smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(O)c(CNc2ccccc2F)c1 ZINC000000257154 175159571 /nfs/dbraw/zinc/15/95/71/175159571.db2.gz MYDWIBNQQJCLKC-UHFFFAOYSA-N 0 0 247.269 3.152 20 10 BGCDRN Cc1cc(O)c(C[NH+]2CCCCCC2)cc1C ZINC000001641640 178195114 /nfs/dbraw/zinc/19/51/14/178195114.db2.gz NFZMHUWSLFKQIY-UHFFFAOYSA-N 0 0 233.355 3.385 20 10 BGCDRN CN(C)c1ccc(OCc2ccccc2)cc1 ZINC000005328603 588213589 /nfs/dbraw/zinc/21/35/89/588213589.db2.gz DFXQXCWSSGHJBG-UHFFFAOYSA-N 0 0 227.307 3.332 20 10 BGCDRN Nc1ccc(NC(=O)CCC2CCCC2)cc1 ZINC000019261625 342944680 /nfs/dbraw/zinc/94/46/80/342944680.db2.gz OTEGADSBUDHICY-UHFFFAOYSA-N 0 0 232.327 3.178 20 10 BGCDRN CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000019474507 169265216 /nfs/dbraw/zinc/26/52/16/169265216.db2.gz ZUMNXNJFTLMTER-UHFFFAOYSA-N 0 0 234.126 3.199 20 10 BGCDRN CCOc1cccc(CNc2ccccc2)c1O ZINC000019879337 590026633 /nfs/dbraw/zinc/02/66/33/590026633.db2.gz ZAKPEYGHVSCEMN-UHFFFAOYSA-N 0 0 243.306 3.403 20 10 BGCDRN CC(C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000019880834 167116575 /nfs/dbraw/zinc/11/65/75/167116575.db2.gz OLUNVYZPMYZIHT-UHFFFAOYSA-N 0 0 234.126 3.197 20 10 BGCDRN CC(C)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000019883177 167007641 /nfs/dbraw/zinc/00/76/41/167007641.db2.gz BIPIBUZJEJGEPG-UHFFFAOYSA-N 0 0 248.153 3.445 20 10 BGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CC1CC1 ZINC000019884963 384553003 /nfs/dbraw/zinc/55/30/03/384553003.db2.gz ATRPYHMGJCNYAC-UHFFFAOYSA-N 0 0 246.137 3.199 20 10 BGCDRN CCOc1ccccc1NCc1ccccc1O ZINC000019903886 170595753 /nfs/dbraw/zinc/59/57/53/170595753.db2.gz BSXBVYMANHCIFU-UHFFFAOYSA-N 0 0 243.306 3.403 20 10 BGCDRN COc1ccc(C)cc1NCc1ccccc1O ZINC000019914332 175078562 /nfs/dbraw/zinc/07/85/62/175078562.db2.gz CXYSEXLJASAVRV-UHFFFAOYSA-N 0 0 243.306 3.321 20 10 BGCDRN Oc1ccccc1CNc1ccccc1F ZINC000019944298 183304107 /nfs/dbraw/zinc/30/41/07/183304107.db2.gz KZYGASHHPJQKIF-UHFFFAOYSA-N 0 0 217.243 3.143 20 10 BGCDRN Cc1ccc(F)cc1NCc1ccccc1O ZINC000019953313 590055179 /nfs/dbraw/zinc/05/51/79/590055179.db2.gz PGTFXLZBTWRPPI-UHFFFAOYSA-N 0 0 231.270 3.452 20 10 BGCDRN Cc1cc(F)ccc1NCc1ccccc1O ZINC000019961088 178089807 /nfs/dbraw/zinc/08/98/07/178089807.db2.gz UROLJIFDSJDNKH-UHFFFAOYSA-N 0 0 231.270 3.452 20 10 BGCDRN COc1ccc(O)c(CNc2cccc(C)c2)c1 ZINC000020085243 175159336 /nfs/dbraw/zinc/15/93/36/175159336.db2.gz DRHXNZQUASTTCE-UHFFFAOYSA-N 0 0 243.306 3.321 20 10 BGCDRN COc1ccc(O)c(CNc2ccccc2)c1 ZINC000020085442 175158836 /nfs/dbraw/zinc/15/88/36/175158836.db2.gz FZFDIIQOKPWPQK-UHFFFAOYSA-N 0 0 229.279 3.013 20 10 BGCDRN COc1ccc(O)c(CNc2cccc(F)c2)c1 ZINC000020089987 175158796 /nfs/dbraw/zinc/15/87/96/175158796.db2.gz INRWREVLPKJKIY-UHFFFAOYSA-N 0 0 247.269 3.152 20 10 BGCDRN COc1ccc(O)c(CNc2ccc(F)cc2)c1 ZINC000020090484 175158506 /nfs/dbraw/zinc/15/85/06/175158506.db2.gz JAULFORXVZIWCN-UHFFFAOYSA-N 0 0 247.269 3.152 20 10 BGCDRN COc1ccc(O)c(CNc2ccccc2C)c1 ZINC000020092941 175159063 /nfs/dbraw/zinc/15/90/63/175159063.db2.gz JRDLLMMNXSKXBL-UHFFFAOYSA-N 0 0 243.306 3.321 20 10 BGCDRN Nc1ccc(NC(=O)CC2CCCCC2)cc1 ZINC000020248895 342978529 /nfs/dbraw/zinc/97/85/29/342978529.db2.gz WBWDNPKUFBNMLP-UHFFFAOYSA-N 0 0 232.327 3.178 20 10 BGCDRN CN(CCCc1ccccc1)c1ccc(N)cc1 ZINC000020374551 590104592 /nfs/dbraw/zinc/10/45/92/590104592.db2.gz KOCXQYQAHHVZLE-UHFFFAOYSA-N 0 0 240.350 3.338 20 10 BGCDRN CN(CC1CCCCC1)c1ccc(N)cc1 ZINC000020374614 590104696 /nfs/dbraw/zinc/10/46/96/590104696.db2.gz ZKZQDLKGXSRFTC-UHFFFAOYSA-N 0 0 218.344 3.285 20 10 BGCDRN CCCC[C@@H](CC)C(=O)N(C)c1ccc(N)cc1 ZINC000020481729 583839309 /nfs/dbraw/zinc/83/93/09/583839309.db2.gz MSTZGORLYLFRPG-GFCCVEGCSA-N 0 0 248.370 3.448 20 10 BGCDRN CCCC[C@H](CC)C(=O)N(C)c1ccc(N)cc1 ZINC000020481732 583839449 /nfs/dbraw/zinc/83/94/49/583839449.db2.gz MSTZGORLYLFRPG-LBPRGKRZSA-N 0 0 248.370 3.448 20 10 BGCDRN CCCCCCN(C)c1ccc(N)cc1 ZINC000020519820 343140564 /nfs/dbraw/zinc/14/05/64/343140564.db2.gz OSTTXAVMUUONIE-UHFFFAOYSA-N 0 0 206.333 3.285 20 10 BGCDRN Cc1cc(C)cc(C(=O)Nc2ccc(N)cc2)c1 ZINC000021959563 177894359 /nfs/dbraw/zinc/89/43/59/177894359.db2.gz VCLLCRYIDJNOBK-UHFFFAOYSA-N 0 0 240.306 3.138 20 10 BGCDRN Oc1ccccc1CN1CCCc2ccccc21 ZINC000028221901 591694812 /nfs/dbraw/zinc/69/48/12/591694812.db2.gz BMSYMTSVQDFODN-UHFFFAOYSA-N 0 0 239.318 3.345 20 10 BGCDRN CCN(Cc1ccccc1O)c1ccccc1 ZINC000028221907 591694727 /nfs/dbraw/zinc/69/47/27/591694727.db2.gz ZJNDADZUZRPEGM-UHFFFAOYSA-N 0 0 227.307 3.419 20 10 BGCDRN CN(C(=O)CC1CCCCC1)c1ccc(N)cc1 ZINC000034939028 172303357 /nfs/dbraw/zinc/30/33/57/172303357.db2.gz DAEGKLZUOUNUJS-UHFFFAOYSA-N 0 0 246.354 3.202 20 10 BGCDRN CN(C(=O)CCC1CCCC1)c1ccc(N)cc1 ZINC000034939043 172302814 /nfs/dbraw/zinc/30/28/14/172302814.db2.gz VPQCEEZRWATLNB-UHFFFAOYSA-N 0 0 246.354 3.202 20 10 BGCDRN CN(C(=O)Nc1ccc(N)cc1)C1CCCCC1 ZINC000035407826 172322536 /nfs/dbraw/zinc/32/25/36/172322536.db2.gz NHDPDWGPHJPIEK-UHFFFAOYSA-N 0 0 247.342 3.065 20 10 BGCDRN Nc1ccc(NC(=O)NC2CCCCCC2)cc1 ZINC000035408105 642164988 /nfs/dbraw/zinc/16/49/88/642164988.db2.gz MFRROGRZSNRKOH-UHFFFAOYSA-N 0 0 247.342 3.113 20 10 BGCDRN CC[C@@H]1CCCCN1C(=O)Nc1ccc(N)cc1 ZINC000035408127 642165246 /nfs/dbraw/zinc/16/52/46/642165246.db2.gz PFEYCOGSQBSVGP-CYBMUJFWSA-N 0 0 247.342 3.065 20 10 BGCDRN CC[C@H]1CCCCN1C(=O)Nc1ccc(N)cc1 ZINC000035408132 642164564 /nfs/dbraw/zinc/16/45/64/642164564.db2.gz PFEYCOGSQBSVGP-ZDUSSCGKSA-N 0 0 247.342 3.065 20 10 BGCDRN CCN(C(=O)Nc1ccc(N)cc1)C1CCCC1 ZINC000035773215 639910624 /nfs/dbraw/zinc/91/06/24/639910624.db2.gz APZAUOUSHRSEBY-UHFFFAOYSA-N 0 0 247.342 3.065 20 10 BGCDRN CCn1cc(N[C@@H](C)c2cc(C)ccc2O)cn1 ZINC000035779755 172187261 /nfs/dbraw/zinc/18/72/61/172187261.db2.gz IPZNLWXPZMLMSF-NSHDSACASA-N 0 0 245.326 3.090 20 10 BGCDRN CCn1cc(N[C@H](C)c2cc(C)ccc2O)cn1 ZINC000035779756 172188495 /nfs/dbraw/zinc/18/84/95/172188495.db2.gz IPZNLWXPZMLMSF-LLVKDONJSA-N 0 0 245.326 3.090 20 10 BGCDRN CCn1cc(N[C@@H](C)c2ccc(C)cc2O)cn1 ZINC000035780044 172186354 /nfs/dbraw/zinc/18/63/54/172186354.db2.gz NQRJOKCMRIPOOB-NSHDSACASA-N 0 0 245.326 3.090 20 10 BGCDRN CCn1cc(N[C@H](C)c2ccc(C)cc2O)cn1 ZINC000035780046 172188912 /nfs/dbraw/zinc/18/89/12/172188912.db2.gz NQRJOKCMRIPOOB-LLVKDONJSA-N 0 0 245.326 3.090 20 10 BGCDRN CC[C@H](Nc1cnn(CC)c1)c1ccccc1O ZINC000035780445 343304629 /nfs/dbraw/zinc/30/46/29/343304629.db2.gz CTBLESPYFIXKQR-ZDUSSCGKSA-N 0 0 245.326 3.172 20 10 BGCDRN CC[C@@H](Nc1cnn(CC)c1)c1ccccc1O ZINC000035780448 343304333 /nfs/dbraw/zinc/30/43/33/343304333.db2.gz CTBLESPYFIXKQR-CYBMUJFWSA-N 0 0 245.326 3.172 20 10 BGCDRN CCc1ccc(CN(C)c2ccc(N)cc2)cc1 ZINC000036197375 640403870 /nfs/dbraw/zinc/40/38/70/640403870.db2.gz OKCZLXBNNJCRRM-UHFFFAOYSA-N 0 0 240.350 3.468 20 10 BGCDRN COCc1cccc(NCc2ccccc2O)c1 ZINC000036918055 712515541 /nfs/dbraw/zinc/51/55/41/712515541.db2.gz ZDARXRIVPVYRML-UHFFFAOYSA-N 0 0 243.306 3.151 20 10 BGCDRN COCc1ccccc1NCc1ccccc1O ZINC000036938626 711480133 /nfs/dbraw/zinc/48/01/33/711480133.db2.gz CCRJZQUSCDRHSZ-UHFFFAOYSA-N 0 0 243.306 3.151 20 10 BGCDRN COc1cccc(C[NH2+][C@@H]2CCC[C@H](C)C2)c1O ZINC000037254223 175266586 /nfs/dbraw/zinc/26/65/86/175266586.db2.gz HFVCEHQHNVFHHB-WCQYABFASA-N 0 0 249.354 3.069 20 10 BGCDRN Nc1ccc(NCC2CCCCC2)cc1 ZINC000037259692 342925812 /nfs/dbraw/zinc/92/58/12/342925812.db2.gz VDFOORVEHBETHM-UHFFFAOYSA-N 0 0 204.317 3.261 20 10 BGCDRN CCCC[C@@H](CC)C(=O)NCc1ccc(N)cc1 ZINC000037666322 343350792 /nfs/dbraw/zinc/35/07/92/343350792.db2.gz CYMPSFPPEFSYNX-CYBMUJFWSA-N 0 0 248.370 3.101 20 10 BGCDRN CCCC[C@H](CC)C(=O)NCc1ccc(N)cc1 ZINC000037666323 343350816 /nfs/dbraw/zinc/35/08/16/343350816.db2.gz CYMPSFPPEFSYNX-ZDUSSCGKSA-N 0 0 248.370 3.101 20 10 BGCDRN CCOc1cccc(NCc2ccccc2O)c1 ZINC000037780299 170581444 /nfs/dbraw/zinc/58/14/44/170581444.db2.gz CQXZWQMJDYYSMG-UHFFFAOYSA-N 0 0 243.306 3.403 20 10 BGCDRN COc1cc(C)ccc1NCc1ccccc1O ZINC000037783207 712756657 /nfs/dbraw/zinc/75/66/57/712756657.db2.gz PMQWULRYCGMAJN-UHFFFAOYSA-N 0 0 243.306 3.321 20 10 BGCDRN COc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000038272629 358144151 /nfs/dbraw/zinc/14/41/51/358144151.db2.gz RFKSKEDBBWPEMF-UHFFFAOYSA-N 0 0 239.318 3.258 20 10 BGCDRN CCCCN(CC)c1ccc(OC)cc1 ZINC000038524087 711532306 /nfs/dbraw/zinc/53/23/06/711532306.db2.gz YSUVZNSUHVFAAF-UHFFFAOYSA-N 0 0 207.317 3.322 20 10 BGCDRN Clc1ccc(CSc2nccs2)cn1 ZINC000040676410 180580657 /nfs/dbraw/zinc/58/06/57/180580657.db2.gz RUKUPLSNPMWATN-UHFFFAOYSA-N 0 0 242.756 3.484 20 10 BGCDRN Cc1ccc(C(=O)CSc2nccs2)cc1 ZINC000040677189 636938721 /nfs/dbraw/zinc/93/87/21/636938721.db2.gz WDDASLNWMLWOPQ-UHFFFAOYSA-N 0 0 249.360 3.427 20 10 BGCDRN O=C(CSc1nccs1)c1ccccc1 ZINC000040677198 182010523 /nfs/dbraw/zinc/01/05/23/182010523.db2.gz GNRRPZANSYDGBR-UHFFFAOYSA-N 0 0 235.333 3.118 20 10 BGCDRN O=C(CSc1nccs1)Cc1ccccc1 ZINC000040677214 636938511 /nfs/dbraw/zinc/93/85/11/636938511.db2.gz TXJHHIQFEMFFLA-UHFFFAOYSA-N 0 0 249.360 3.047 20 10 BGCDRN Cc1ccccc1C(=O)CSc1nccs1 ZINC000040677218 631426707 /nfs/dbraw/zinc/42/67/07/631426707.db2.gz RZBDHODQGSMHMJ-UHFFFAOYSA-N 0 0 249.360 3.427 20 10 BGCDRN Nc1cccc(CSc2nccs2)c1 ZINC000041066865 636961428 /nfs/dbraw/zinc/96/14/28/636961428.db2.gz ZAGYOOWTKSXAPQ-UHFFFAOYSA-N 0 0 222.338 3.018 20 10 BGCDRN Cc1nc(-c2ccc(N(C)C)cc2)sc1C ZINC000041259561 636979996 /nfs/dbraw/zinc/97/99/96/636979996.db2.gz CVZGAJKNDUJBHE-UHFFFAOYSA-N 0 0 232.352 3.493 20 10 BGCDRN CCCCN(C(=O)Nc1ccc(N)cc1)C1CC1 ZINC000042491356 637273621 /nfs/dbraw/zinc/27/36/21/637273621.db2.gz DPOMRZXFDDZLRZ-UHFFFAOYSA-N 0 0 247.342 3.065 20 10 BGCDRN CCCCC[C@@H](C)NC(=O)Nc1ccc(N)cc1 ZINC000042574348 637283016 /nfs/dbraw/zinc/28/30/16/637283016.db2.gz JDTRRKNQWCOGKZ-LLVKDONJSA-N 0 0 249.358 3.359 20 10 BGCDRN CCCCC[C@H](C)NC(=O)Nc1ccc(N)cc1 ZINC000042574351 637284820 /nfs/dbraw/zinc/28/48/20/637284820.db2.gz JDTRRKNQWCOGKZ-NSHDSACASA-N 0 0 249.358 3.359 20 10 BGCDRN CC1(NC(=O)Nc2ccc(N)cc2)CCCCC1 ZINC000045047301 643551530 /nfs/dbraw/zinc/55/15/30/643551530.db2.gz PNLZJDBNDSRKTG-UHFFFAOYSA-N 0 0 247.342 3.113 20 10 BGCDRN C[C@@H]([NH2+]C[C@H]1CC=CCC1)c1ccccc1O ZINC000045628849 188297869 /nfs/dbraw/zinc/29/78/69/188297869.db2.gz HDCNKGMKNKHAMP-OLZOCXBDSA-N 0 0 231.339 3.399 20 10 BGCDRN CC(C)c1nc(-c2ccc(O)c(O)c2)cs1 ZINC000048640495 641695751 /nfs/dbraw/zinc/69/57/51/641695751.db2.gz GCJYERZSNZWYNN-UHFFFAOYSA-N 0 0 235.308 3.345 20 10 BGCDRN c1csc(Sc2nc3ccccc3o2)n1 ZINC000048894078 386579777 /nfs/dbraw/zinc/57/97/77/386579777.db2.gz CUXCOBNNBQUGKF-UHFFFAOYSA-N 0 0 234.305 3.436 20 10 BGCDRN c1csc(Sc2cnc3ccccc3n2)n1 ZINC000048894080 635950740 /nfs/dbraw/zinc/95/07/40/635950740.db2.gz PYDAJSXFFJHWNF-UHFFFAOYSA-N 0 0 245.332 3.238 20 10 BGCDRN CCCc1nc(-c2ccc(O)c(O)c2)cs1 ZINC000049078959 643611742 /nfs/dbraw/zinc/61/17/42/643611742.db2.gz VMUFQAOIORRGAD-UHFFFAOYSA-N 0 0 235.308 3.174 20 10 BGCDRN COc1cc(F)ccc1NCc1ccccc1O ZINC000049563745 643086182 /nfs/dbraw/zinc/08/61/82/643086182.db2.gz DANYKXMWEGCMMQ-UHFFFAOYSA-N 0 0 247.269 3.152 20 10 BGCDRN Clc1cc(CSc2nccs2)ccn1 ZINC000051395989 398048371 /nfs/dbraw/zinc/04/83/71/398048371.db2.gz MMBIFHBPOZHPSU-UHFFFAOYSA-N 0 0 242.756 3.484 20 10 BGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C1CCC1 ZINC000052207260 385242735 /nfs/dbraw/zinc/24/27/35/385242735.db2.gz IVDJJTWRAHOYBH-UHFFFAOYSA-N 0 0 246.137 3.341 20 10 BGCDRN Clc1ncccc1CSc1nccs1 ZINC000052728794 351139866 /nfs/dbraw/zinc/13/98/66/351139866.db2.gz NQJSPKVZPMAYAI-UHFFFAOYSA-N 0 0 242.756 3.484 20 10 BGCDRN Cc1nc(Cl)cc(Sc2nccs2)n1 ZINC000052837808 179989811 /nfs/dbraw/zinc/98/98/11/179989811.db2.gz MKBHRUMZGOHCIW-UHFFFAOYSA-N 0 0 243.744 3.046 20 10 BGCDRN Nc1ccc(NC(=O)C2CCCCCC2)cc1 ZINC000053713116 384804498 /nfs/dbraw/zinc/80/44/98/384804498.db2.gz DIKGKPHOFWSYJZ-UHFFFAOYSA-N 0 0 232.327 3.178 20 10 BGCDRN CN(C(=O)C1CCCCCC1)c1ccc(N)cc1 ZINC000053713159 643662113 /nfs/dbraw/zinc/66/21/13/643662113.db2.gz UCQQYHMYMPQSGK-UHFFFAOYSA-N 0 0 246.354 3.202 20 10 BGCDRN COc1ccc(N(C)Cc2ccccc2)cc1 ZINC000057623509 640625850 /nfs/dbraw/zinc/62/58/50/640625850.db2.gz NUQIULJQYSFIEN-UHFFFAOYSA-N 0 0 227.307 3.332 20 10 BGCDRN CN(C)c1ccccc1NCc1ccccc1O ZINC000057716408 641149384 /nfs/dbraw/zinc/14/93/84/641149384.db2.gz NOXUBRWBEZDEDI-UHFFFAOYSA-N 0 0 242.322 3.070 20 10 BGCDRN COc1ccc(NCc2ccccc2O)c(C)c1 ZINC000061565524 640971416 /nfs/dbraw/zinc/97/14/16/640971416.db2.gz VPUIFXHYNULUEZ-UHFFFAOYSA-N 0 0 243.306 3.321 20 10 BGCDRN C[C@H]([NH2+]C1CCCC1)c1ccc(F)cc1[O-] ZINC000062744704 385184184 /nfs/dbraw/zinc/18/41/84/385184184.db2.gz YYXPEUYZTBTQSH-VIFPVBQESA-N 0 0 223.291 3.125 20 10 BGCDRN C[C@@H]([NH2+]C1CCCC1)c1ccc(F)cc1[O-] ZINC000062744705 385184882 /nfs/dbraw/zinc/18/48/82/385184882.db2.gz YYXPEUYZTBTQSH-SECBINFHSA-N 0 0 223.291 3.125 20 10 BGCDRN CCC(CC)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062744706 641083842 /nfs/dbraw/zinc/08/38/42/641083842.db2.gz AUYYXUSXYNNCOT-VIFPVBQESA-N 0 0 225.307 3.371 20 10 BGCDRN CCC(CC)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000062744707 641085137 /nfs/dbraw/zinc/08/51/37/641085137.db2.gz AUYYXUSXYNNCOT-SECBINFHSA-N 0 0 225.307 3.371 20 10 BGCDRN C[C@H]([NH2+]Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000062744716 641084308 /nfs/dbraw/zinc/08/43/08/641084308.db2.gz SBTXYKMOGCIILS-NSHDSACASA-N 0 0 245.297 3.382 20 10 BGCDRN C[C@@H]([NH2+]Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000062744717 641086740 /nfs/dbraw/zinc/08/67/40/641086740.db2.gz SBTXYKMOGCIILS-LLVKDONJSA-N 0 0 245.297 3.382 20 10 BGCDRN CCCCC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062744732 641201313 /nfs/dbraw/zinc/20/13/13/641201313.db2.gz FKHFCXYVJQXXEH-JTQLQIEISA-N 0 0 225.307 3.372 20 10 BGCDRN CCCCC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000062744733 641087378 /nfs/dbraw/zinc/08/73/78/641087378.db2.gz FKHFCXYVJQXXEH-SNVBAGLBSA-N 0 0 225.307 3.372 20 10 BGCDRN CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062744740 641087872 /nfs/dbraw/zinc/08/78/72/641087872.db2.gz QZERNVXFDMFQOQ-ZJUUUORDSA-N 0 0 225.307 3.371 20 10 BGCDRN CCC[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062744741 641086914 /nfs/dbraw/zinc/08/69/14/641086914.db2.gz QZERNVXFDMFQOQ-UWVGGRQHSA-N 0 0 225.307 3.371 20 10 BGCDRN CCC[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000062744742 641086356 /nfs/dbraw/zinc/08/63/56/641086356.db2.gz QZERNVXFDMFQOQ-NXEZZACHSA-N 0 0 225.307 3.371 20 10 BGCDRN CCC[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000062744743 641087543 /nfs/dbraw/zinc/08/75/43/641087543.db2.gz QZERNVXFDMFQOQ-VHSXEESVSA-N 0 0 225.307 3.371 20 10 BGCDRN CC(C)CC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062744816 641086469 /nfs/dbraw/zinc/08/64/69/641086469.db2.gz FSBOUTYFNOBFRB-JTQLQIEISA-N 0 0 225.307 3.228 20 10 BGCDRN CC(C)CC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000062744817 641087365 /nfs/dbraw/zinc/08/73/65/641087365.db2.gz FSBOUTYFNOBFRB-SNVBAGLBSA-N 0 0 225.307 3.228 20 10 BGCDRN C[C@H]([NH2+]C(C1CC1)C1CC1)c1ccc(F)cc1[O-] ZINC000062745052 385183164 /nfs/dbraw/zinc/18/31/64/385183164.db2.gz QSQCKZNHPMCZRG-VIFPVBQESA-N 0 0 249.329 3.371 20 10 BGCDRN C[C@@H]([NH2+]C(C1CC1)C1CC1)c1ccc(F)cc1[O-] ZINC000062745053 385185071 /nfs/dbraw/zinc/18/50/71/385185071.db2.gz QSQCKZNHPMCZRG-SECBINFHSA-N 0 0 249.329 3.371 20 10 BGCDRN C[C@H]([NH2+]CC1CCCC1)c1ccc(F)cc1[O-] ZINC000062745772 641084393 /nfs/dbraw/zinc/08/43/93/641084393.db2.gz XROPOOAYLPUUAR-JTQLQIEISA-N 0 0 237.318 3.372 20 10 BGCDRN C[C@@H]([NH2+]CC1CCCC1)c1ccc(F)cc1[O-] ZINC000062745773 641085619 /nfs/dbraw/zinc/08/56/19/641085619.db2.gz XROPOOAYLPUUAR-SNVBAGLBSA-N 0 0 237.318 3.372 20 10 BGCDRN C[C@H]([NH2+]CCc1ccco1)c1ccc(F)cc1[O-] ZINC000062745826 641084647 /nfs/dbraw/zinc/08/46/47/641084647.db2.gz GZQNQVYQGUROBH-JTQLQIEISA-N 0 0 249.285 3.018 20 10 BGCDRN C[C@@H]([NH2+]CCc1ccco1)c1ccc(F)cc1[O-] ZINC000062745827 641085293 /nfs/dbraw/zinc/08/52/93/641085293.db2.gz GZQNQVYQGUROBH-SNVBAGLBSA-N 0 0 249.285 3.018 20 10 BGCDRN C[C@H]([NH2+]CC(C)(C)C)c1ccc(F)cc1[O-] ZINC000062747934 385188165 /nfs/dbraw/zinc/18/81/65/385188165.db2.gz PUXYBSPBUZGPQF-VIFPVBQESA-N 0 0 225.307 3.228 20 10 BGCDRN C[C@@H]([NH2+]CC(C)(C)C)c1ccc(F)cc1[O-] ZINC000062747935 385187261 /nfs/dbraw/zinc/18/72/61/385187261.db2.gz PUXYBSPBUZGPQF-SECBINFHSA-N 0 0 225.307 3.228 20 10 BGCDRN Cc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])o1 ZINC000062748467 641091215 /nfs/dbraw/zinc/09/12/15/641091215.db2.gz LLIUPHNHMMVGDB-JTQLQIEISA-N 0 0 249.285 3.284 20 10 BGCDRN Cc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])o1 ZINC000062748468 641091799 /nfs/dbraw/zinc/09/17/99/641091799.db2.gz LLIUPHNHMMVGDB-SNVBAGLBSA-N 0 0 249.285 3.284 20 10 BGCDRN Cc1nc(CSc2nccs2)oc1C ZINC000063537975 368588683 /nfs/dbraw/zinc/58/86/83/368588683.db2.gz QHIQTOQVMIKBQP-UHFFFAOYSA-N 0 0 226.326 3.040 20 10 BGCDRN COc1ccc(N(C)CC=C(C)C)cc1OC ZINC000063617029 641200709 /nfs/dbraw/zinc/20/07/09/641200709.db2.gz UQDYZMXRTFWQSY-UHFFFAOYSA-N 0 0 235.327 3.106 20 10 BGCDRN COc1ccc(N(C)CCC(C)C)cc1OC ZINC000063617300 641201695 /nfs/dbraw/zinc/20/16/95/641201695.db2.gz HWCJLLPYLRTATE-UHFFFAOYSA-N 0 0 237.343 3.186 20 10 BGCDRN c1csc(SCc2cn3ccccc3n2)n1 ZINC000064660677 642687833 /nfs/dbraw/zinc/68/78/33/642687833.db2.gz OXOPCWORTFYNQQ-UHFFFAOYSA-N 0 0 247.348 3.083 20 10 BGCDRN CCc1nc(CSc2nccs2)cs1 ZINC000064661617 368611715 /nfs/dbraw/zinc/61/17/15/368611715.db2.gz DPOMPSGAOAIBKK-UHFFFAOYSA-N 0 0 242.394 3.454 20 10 BGCDRN O=[N+]([O-])c1ccccc1Sc1nccs1 ZINC000064915995 368615939 /nfs/dbraw/zinc/61/59/39/368615939.db2.gz LHQVLIPWDQKSFU-UHFFFAOYSA-N 0 0 238.293 3.203 20 10 BGCDRN CC(C)CC[C@@H](C)NC(=O)Nc1ccc(N)cc1 ZINC000069234930 642841702 /nfs/dbraw/zinc/84/17/02/642841702.db2.gz DRJNROPLWFUARH-LLVKDONJSA-N 0 0 249.358 3.215 20 10 BGCDRN CC(C)CC[C@H](C)NC(=O)Nc1ccc(N)cc1 ZINC000069234931 642841252 /nfs/dbraw/zinc/84/12/52/642841252.db2.gz DRJNROPLWFUARH-NSHDSACASA-N 0 0 249.358 3.215 20 10 BGCDRN CC(C)[C@@H](C)CC(=O)N(C)Cc1ccccc1O ZINC000069386297 167354612 /nfs/dbraw/zinc/35/46/12/167354612.db2.gz AAKSUUHDGYUJCB-LBPRGKRZSA-N 0 0 249.354 3.033 20 10 BGCDRN CC(C)[C@H](C)CC(=O)N(C)Cc1ccccc1O ZINC000069386304 398104655 /nfs/dbraw/zinc/10/46/55/398104655.db2.gz AAKSUUHDGYUJCB-GFCCVEGCSA-N 0 0 249.354 3.033 20 10 BGCDRN CC(C)C[C@@H](C)CC(=O)NCc1ccccc1O ZINC000069423071 368753380 /nfs/dbraw/zinc/75/33/80/368753380.db2.gz JXLSPTITMWMSLW-GFCCVEGCSA-N 0 0 249.354 3.081 20 10 BGCDRN CC(C)C[C@H](C)CC(=O)NCc1ccccc1O ZINC000069423072 368753153 /nfs/dbraw/zinc/75/31/53/368753153.db2.gz JXLSPTITMWMSLW-LBPRGKRZSA-N 0 0 249.354 3.081 20 10 BGCDRN C[C@H](CC1CC1)[NH2+][C@@H](C)c1ccccc1O ZINC000069661993 642408442 /nfs/dbraw/zinc/40/84/42/642408442.db2.gz NPQCLRBJWZPNFR-MNOVXSKESA-N 0 0 219.328 3.231 20 10 BGCDRN C[C@@H]([NH2+][C@@H](C)CC1CC1)c1ccccc1O ZINC000069661995 642409007 /nfs/dbraw/zinc/40/90/07/642409007.db2.gz NPQCLRBJWZPNFR-WDEREUQCSA-N 0 0 219.328 3.231 20 10 BGCDRN C[C@H](CC1CC1)[NH2+][C@H](C)c1ccccc1O ZINC000069662000 642408352 /nfs/dbraw/zinc/40/83/52/642408352.db2.gz NPQCLRBJWZPNFR-GHMZBOCLSA-N 0 0 219.328 3.231 20 10 BGCDRN C[C@@H]1CCCCCN1C(=O)Nc1ccc(N)cc1 ZINC000070411110 643024830 /nfs/dbraw/zinc/02/48/30/643024830.db2.gz IZDSHRWZIDWCRT-LLVKDONJSA-N 0 0 247.342 3.065 20 10 BGCDRN C[C@H]1CCCCCN1C(=O)Nc1ccc(N)cc1 ZINC000070411111 643024070 /nfs/dbraw/zinc/02/40/70/643024070.db2.gz IZDSHRWZIDWCRT-NSHDSACASA-N 0 0 247.342 3.065 20 10 BGCDRN Cc1ccc(O)c(CNc2ccccc2)c1 ZINC000070954545 187275366 /nfs/dbraw/zinc/27/53/66/187275366.db2.gz HDZSBVQHMJXEFZ-UHFFFAOYSA-N 0 0 213.280 3.313 20 10 BGCDRN COc1ccc(N(C)Cc2ccccc2O)cc1 ZINC000070977509 643089829 /nfs/dbraw/zinc/08/98/29/643089829.db2.gz OLOBCXCFBAAWPF-UHFFFAOYSA-N 0 0 243.306 3.037 20 10 BGCDRN C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1ccc(F)cc1[O-] ZINC000071207002 643106006 /nfs/dbraw/zinc/10/60/06/643106006.db2.gz QUGGNGMSNWANTG-NRUUGDAUSA-N 0 0 237.318 3.371 20 10 BGCDRN C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000071207003 643107313 /nfs/dbraw/zinc/10/73/13/643107313.db2.gz QUGGNGMSNWANTG-KWBADKCTSA-N 0 0 237.318 3.371 20 10 BGCDRN C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1ccc(F)cc1[O-] ZINC000071207004 176898095 /nfs/dbraw/zinc/89/80/95/176898095.db2.gz QUGGNGMSNWANTG-GBIKHYSHSA-N 0 0 237.318 3.371 20 10 BGCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000071207005 176896695 /nfs/dbraw/zinc/89/66/95/176896695.db2.gz QUGGNGMSNWANTG-OUJBWJOFSA-N 0 0 237.318 3.371 20 10 BGCDRN COc1ccccc1NCc1cc(C)ccc1O ZINC000071403704 175337356 /nfs/dbraw/zinc/33/73/56/175337356.db2.gz OQNQWIWNMHMFIY-UHFFFAOYSA-N 0 0 243.306 3.321 20 10 BGCDRN Cc1ccc(O)c(CNc2cccc(F)c2)c1 ZINC000071406115 643140663 /nfs/dbraw/zinc/14/06/63/643140663.db2.gz UGAKEXZDWVATGR-UHFFFAOYSA-N 0 0 231.270 3.452 20 10 BGCDRN Cc1ccc(O)c(CNc2ccc(F)cc2)c1 ZINC000071406134 643140551 /nfs/dbraw/zinc/14/05/51/643140551.db2.gz IUYAHIDWVCCVFZ-UHFFFAOYSA-N 0 0 231.270 3.452 20 10 BGCDRN Cc1ccc(O)c(CNc2ccccc2F)c1 ZINC000071406139 643140846 /nfs/dbraw/zinc/14/08/46/643140846.db2.gz WPKYPOKOJKBOGE-UHFFFAOYSA-N 0 0 231.270 3.452 20 10 BGCDRN COc1cccc(NCc2cc(C)ccc2O)c1 ZINC000071406238 175279472 /nfs/dbraw/zinc/27/94/72/175279472.db2.gz OMWGAYORYLUBPE-UHFFFAOYSA-N 0 0 243.306 3.321 20 10 BGCDRN Cc1ccc(O)c(CNc2cnn(C(C)C)c2)c1 ZINC000071409318 643141188 /nfs/dbraw/zinc/14/11/88/643141188.db2.gz FEOCFIMRBSRVOL-UHFFFAOYSA-N 0 0 245.326 3.090 20 10 BGCDRN Cc1ccc(O)c(CNc2cnccc2C)c1 ZINC000071413880 643145276 /nfs/dbraw/zinc/14/52/76/643145276.db2.gz ATAJCGNRVCQEGO-UHFFFAOYSA-N 0 0 228.295 3.016 20 10 BGCDRN CC(=O)c1csc(-c2ccc(N(C)C)cc2)n1 ZINC000071560871 188306196 /nfs/dbraw/zinc/30/61/96/188306196.db2.gz FKPUDKJKNPFCEW-UHFFFAOYSA-N 0 0 246.335 3.079 20 10 BGCDRN CN(Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000071711245 643170346 /nfs/dbraw/zinc/17/03/46/643170346.db2.gz NCQXYLUYHLAVBS-UHFFFAOYSA-N 0 0 241.290 3.052 20 10 BGCDRN COc1ccc(N(C)Cc2ccccc2)cc1F ZINC000071711248 643170419 /nfs/dbraw/zinc/17/04/19/643170419.db2.gz QQPRHQCPDDULBV-UHFFFAOYSA-N 0 0 245.297 3.471 20 10 BGCDRN Cc1nc(CSc2nccs2)cs1 ZINC000072016370 566286219 /nfs/dbraw/zinc/28/62/19/566286219.db2.gz IRMCAWHNIQTXAG-UHFFFAOYSA-N 0 0 228.367 3.200 20 10 BGCDRN CCC(C)(C)CC(=O)N(C)Cc1ccccc1O ZINC000072700984 643286590 /nfs/dbraw/zinc/28/65/90/643286590.db2.gz AKHAFUKFFGETAL-UHFFFAOYSA-N 0 0 249.354 3.177 20 10 BGCDRN CCCN(Cc1ccccc1O)CC(F)(F)F ZINC000075829155 169177132 /nfs/dbraw/zinc/17/71/32/169177132.db2.gz SNAHRJGFPVNHRN-UHFFFAOYSA-N 0 0 247.260 3.167 20 10 BGCDRN COCc1ccc(NCc2ccccc2O)cc1 ZINC000076262614 174627258 /nfs/dbraw/zinc/62/72/58/174627258.db2.gz CUWSFVAAYPFMGR-UHFFFAOYSA-N 0 0 243.306 3.151 20 10 BGCDRN Nc1ccc(Cc2nc(C3CC3)cs2)cc1 ZINC000077253932 181708528 /nfs/dbraw/zinc/70/85/28/181708528.db2.gz KZDYNFVTIOBMSA-UHFFFAOYSA-N 0 0 230.336 3.194 20 10 BGCDRN Cc1ccc(NCc2ccc(N(C)C)cc2)nc1 ZINC000079752990 644208484 /nfs/dbraw/zinc/20/84/84/644208484.db2.gz VXZFTIWMFULSLN-UHFFFAOYSA-N 0 0 241.338 3.068 20 10 BGCDRN CC(C)[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000081044338 643190417 /nfs/dbraw/zinc/19/04/17/643190417.db2.gz FBQNCUXXEVWBFK-QWRGUYRKSA-N 0 0 239.334 3.474 20 10 BGCDRN [O-]c1c(Cl)cccc1C[NH+]1CCCCC1 ZINC000082292789 384222785 /nfs/dbraw/zinc/22/27/85/384222785.db2.gz LPKBPMUXSUJJQZ-UHFFFAOYSA-N 0 0 225.719 3.032 20 10 BGCDRN CCCCCOc1ccc(N(C)C)cc1 ZINC000083230959 636947973 /nfs/dbraw/zinc/94/79/73/636947973.db2.gz OBLXAXGRUHDGGW-UHFFFAOYSA-N 0 0 207.317 3.322 20 10 BGCDRN Cc1cccc(CNc2ccccc2)c1O ZINC000083347434 643438179 /nfs/dbraw/zinc/43/81/79/643438179.db2.gz LNRNIJKYANJOKO-UHFFFAOYSA-N 0 0 213.280 3.313 20 10 BGCDRN Oc1ccc(F)cc1CNc1ccccc1 ZINC000083348914 183274982 /nfs/dbraw/zinc/27/49/82/183274982.db2.gz DYGZBVUXTRXLCH-UHFFFAOYSA-N 0 0 217.243 3.143 20 10 BGCDRN Cc1ccc(NCc2cccc(C)c2O)cn1 ZINC000083356094 631422848 /nfs/dbraw/zinc/42/28/48/631422848.db2.gz XTYRFIVJMXYGFW-UHFFFAOYSA-N 0 0 228.295 3.016 20 10 BGCDRN Cc1ccc(O)c(CNc2ccc(C)nc2)c1 ZINC000083356095 188315822 /nfs/dbraw/zinc/31/58/22/188315822.db2.gz JIMYWVOKWKZJEQ-UHFFFAOYSA-N 0 0 228.295 3.016 20 10 BGCDRN Cc1cccc(CNc2ncccc2C)c1O ZINC000083356171 643437029 /nfs/dbraw/zinc/43/70/29/643437029.db2.gz JUJCGBMMBGDNRW-UHFFFAOYSA-N 0 0 228.295 3.016 20 10 BGCDRN Cc1ccc(NCc2cccc(C)c2O)nc1 ZINC000083356175 643437976 /nfs/dbraw/zinc/43/79/76/643437976.db2.gz BRTIRZQLWRWVBA-UHFFFAOYSA-N 0 0 228.295 3.016 20 10 BGCDRN Cc1ccc(NCc2cc(C)ccc2O)nc1 ZINC000083356176 643437490 /nfs/dbraw/zinc/43/74/90/643437490.db2.gz HQEATTONTKGRLS-UHFFFAOYSA-N 0 0 228.295 3.016 20 10 BGCDRN Cc1cccc(CNc2ccccc2F)c1O ZINC000083358023 631423446 /nfs/dbraw/zinc/42/34/46/631423446.db2.gz KQKFLJKTDITSOW-UHFFFAOYSA-N 0 0 231.270 3.452 20 10 BGCDRN Cc1ccccc1NCc1cc(F)ccc1O ZINC000083358030 179306040 /nfs/dbraw/zinc/30/60/40/179306040.db2.gz SZXBRJGGXBMZTO-UHFFFAOYSA-N 0 0 231.270 3.452 20 10 BGCDRN Cc1cccc(CNc2ccc(F)cc2)c1O ZINC000083358037 643438645 /nfs/dbraw/zinc/43/86/45/643438645.db2.gz CMYGELXXWPWQJC-UHFFFAOYSA-N 0 0 231.270 3.452 20 10 BGCDRN Cc1cccc(NCc2cc(F)ccc2O)c1 ZINC000083358044 179149053 /nfs/dbraw/zinc/14/90/53/179149053.db2.gz ZMAWZZKBVMKVTK-UHFFFAOYSA-N 0 0 231.270 3.452 20 10 BGCDRN Cc1cccc(CNc2cccc(F)c2)c1O ZINC000083358055 643437732 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217.312 3.076 20 10 BGCDRN CCN(Cc1cccc(C)c1O)CC(F)(F)F ZINC000124548826 590049871 /nfs/dbraw/zinc/04/98/71/590049871.db2.gz DCEVDBJNGLQGAY-UHFFFAOYSA-N 0 0 247.260 3.085 20 10 BGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1ccccc1 ZINC000124655955 590071110 /nfs/dbraw/zinc/07/11/10/590071110.db2.gz VHOVIFYMGGJAHI-UHFFFAOYSA-N 0 0 247.725 3.335 20 10 BGCDRN Oc1ccccc1CNc1ccc2c(c1)COC2 ZINC000125464315 590165121 /nfs/dbraw/zinc/16/51/21/590165121.db2.gz VPRPKUURAZGEMA-UHFFFAOYSA-N 0 0 241.290 3.035 20 10 BGCDRN CC(C)OCCCSc1nccs1 ZINC000126548108 167225666 /nfs/dbraw/zinc/22/56/66/167225666.db2.gz GDVNLPRGRGLFKH-UHFFFAOYSA-N 0 0 217.359 3.050 20 10 BGCDRN C/C(=C/c1ccc(N(C)C)cc1)c1cnccn1 ZINC000126580152 590352446 /nfs/dbraw/zinc/35/24/46/590352446.db2.gz PNAJOYYABPXGEE-BENRWUELSA-N 0 0 239.322 3.103 20 10 BGCDRN CN(C/C(Cl)=C/Cl)Cc1ccccc1O ZINC000126986610 384849154 /nfs/dbraw/zinc/84/91/54/384849154.db2.gz KLDSAROHFLDLPW-POHAHGRESA-N 0 0 246.137 3.143 20 10 BGCDRN O=C1c2ccccc2C[C@@H]1Sc1nccs1 ZINC000127159203 590577879 /nfs/dbraw/zinc/57/78/79/590577879.db2.gz WMDKZURWGVLGPB-JTQLQIEISA-N 0 0 247.344 3.043 20 10 BGCDRN O=C1c2ccccc2C[C@H]1Sc1nccs1 ZINC000127159404 590577984 /nfs/dbraw/zinc/57/79/84/590577984.db2.gz WMDKZURWGVLGPB-SNVBAGLBSA-N 0 0 247.344 3.043 20 10 BGCDRN Cc1ccncc1NCc1c(O)cccc1Cl ZINC000127329284 590622071 /nfs/dbraw/zinc/62/20/71/590622071.db2.gz DXOCBFNBWWHULV-UHFFFAOYSA-N 0 0 248.713 3.361 20 10 BGCDRN C[N@H+](Cc1c(O)cccc1Cl)C1CCC1 ZINC000127456485 384900372 /nfs/dbraw/zinc/90/03/72/384900372.db2.gz ZCONGVRYDMJKDU-UHFFFAOYSA-N 0 0 225.719 3.030 20 10 BGCDRN COc1ccc2c(c1)CCN2Cc1ccsc1 ZINC000127686186 590755015 /nfs/dbraw/zinc/75/50/15/590755015.db2.gz ODGMZKMOVJOUKS-UHFFFAOYSA-N 0 0 245.347 3.319 20 10 BGCDRN COc1ccc2c(c1)CCN2Cc1cccs1 ZINC000127703355 590756637 /nfs/dbraw/zinc/75/66/37/590756637.db2.gz YPUFNGINCNVNSG-UHFFFAOYSA-N 0 0 245.347 3.319 20 10 BGCDRN COc1ccc2c(c1)CCN2Cc1occc1C ZINC000127707867 590757440 /nfs/dbraw/zinc/75/74/40/590757440.db2.gz VMSLDZYENFJZBO-UHFFFAOYSA-N 0 0 243.306 3.159 20 10 BGCDRN Cc1cccc(CNc2cnn(C(C)C)c2)c1O ZINC000127877040 590826400 /nfs/dbraw/zinc/82/64/00/590826400.db2.gz GVJYSVOMARUDGX-UHFFFAOYSA-N 0 0 245.326 3.090 20 10 BGCDRN Cc1noc(C)c1CCSc1nccs1 ZINC000127984070 590862161 /nfs/dbraw/zinc/86/21/61/590862161.db2.gz UNJDQJHVLURTRZ-UHFFFAOYSA-N 0 0 240.353 3.083 20 10 BGCDRN Cc1ccc(NCc2c(O)cccc2Cl)cn1 ZINC000128040590 590881183 /nfs/dbraw/zinc/88/11/83/590881183.db2.gz KBKKLZNUYRGNHX-UHFFFAOYSA-N 0 0 248.713 3.361 20 10 BGCDRN C[C@@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000128488569 591092300 /nfs/dbraw/zinc/09/23/00/591092300.db2.gz HRMAQDYBHMRHKE-KOLCDFICSA-N 0 0 239.746 3.324 20 10 BGCDRN C[C@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000128488767 591091141 /nfs/dbraw/zinc/09/11/41/591091141.db2.gz HRMAQDYBHMRHKE-ONGXEEELSA-N 0 0 239.746 3.324 20 10 BGCDRN C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000128488981 591092567 /nfs/dbraw/zinc/09/25/67/591092567.db2.gz HRMAQDYBHMRHKE-MWLCHTKSSA-N 0 0 239.746 3.324 20 10 BGCDRN C[C@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000128489187 591092980 /nfs/dbraw/zinc/09/29/80/591092980.db2.gz HRMAQDYBHMRHKE-GXSJLCMTSA-N 0 0 239.746 3.324 20 10 BGCDRN C[C@H]1CC[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000128492826 591094817 /nfs/dbraw/zinc/09/48/17/591094817.db2.gz PFJRHESMNRWQIS-VHSXEESVSA-N 0 0 239.746 3.324 20 10 BGCDRN Oc1cccc(Cl)c1C[NH2+]CCC1CCC1 ZINC000130342373 591458366 /nfs/dbraw/zinc/45/83/66/591458366.db2.gz GSUUJGMBCOAQCP-UHFFFAOYSA-N 0 0 239.746 3.325 20 10 BGCDRN Oc1ccc(-c2csc(C3CCC3)n2)cc1O ZINC000130413593 183264824 /nfs/dbraw/zinc/26/48/24/183264824.db2.gz LCLBVYYAAXVTHQ-UHFFFAOYSA-N 0 0 247.319 3.489 20 10 BGCDRN CN(Cc1ccccc1O)C(=O)CCC(C)(C)C ZINC000130526850 385047909 /nfs/dbraw/zinc/04/79/09/385047909.db2.gz QHOGXLZBVVRXCD-UHFFFAOYSA-N 0 0 249.354 3.177 20 10 BGCDRN CCOc1ccc(N(C)Cc2ccncc2)cc1 ZINC000130759734 591515399 /nfs/dbraw/zinc/51/53/99/591515399.db2.gz HOXJCFGIUQNBMF-UHFFFAOYSA-N 0 0 242.322 3.117 20 10 BGCDRN Cc1cc(O)c(CNc2ncccc2C)cc1C ZINC000130976667 591539631 /nfs/dbraw/zinc/53/96/31/591539631.db2.gz ULDOOUNGOPRGFF-UHFFFAOYSA-N 0 0 242.322 3.325 20 10 BGCDRN C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000131087830 591551281 /nfs/dbraw/zinc/55/12/81/591551281.db2.gz DFSROKVBGKNMRL-SCVCMEIPSA-N 0 0 237.318 3.371 20 10 BGCDRN C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000131088273 591551191 /nfs/dbraw/zinc/55/11/91/591551191.db2.gz DFSROKVBGKNMRL-JFGNBEQYSA-N 0 0 237.318 3.371 20 10 BGCDRN Cc1cccc(NCc2c(O)cccc2Cl)n1 ZINC000131195338 591568105 /nfs/dbraw/zinc/56/81/05/591568105.db2.gz XIXZKIHCQYYBJQ-UHFFFAOYSA-N 0 0 248.713 3.361 20 10 BGCDRN COc1ccc(N(C)C/C=C/Cl)cc1F ZINC000131426959 591608537 /nfs/dbraw/zinc/60/85/37/591608537.db2.gz FDKKJVLOJRFFLN-ZZXKWVIFSA-N 0 0 229.682 3.023 20 10 BGCDRN CCC(CC)CC(=O)N(C)Cc1ccccc1O ZINC000131449486 591609594 /nfs/dbraw/zinc/60/95/94/591609594.db2.gz BGZIHJKNGHAZRX-UHFFFAOYSA-N 0 0 249.354 3.177 20 10 BGCDRN CCOc1cccc(C[N@H+](C)C2CCCC2)c1O ZINC000131528409 385341908 /nfs/dbraw/zinc/34/19/08/385341908.db2.gz HIWXAWLANWNJGB-UHFFFAOYSA-N 0 0 249.354 3.165 20 10 BGCDRN CCCC[N@H+](CC)Cc1cc(OC)ccc1O ZINC000131661407 385352245 /nfs/dbraw/zinc/35/22/45/385352245.db2.gz IDUWBGOWSJVXRG-UHFFFAOYSA-N 0 0 237.343 3.023 20 10 BGCDRN Cc1ccc(O)c(CN2CCc3ccccc32)c1 ZINC000131789998 591656569 /nfs/dbraw/zinc/65/65/69/591656569.db2.gz DTJKOJQTEYTZKG-UHFFFAOYSA-N 0 0 239.318 3.263 20 10 BGCDRN Cc1ccc(O)c(C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000131805817 591663851 /nfs/dbraw/zinc/66/38/51/591663851.db2.gz BDXHEURBENZKMA-BETUJISGSA-N 0 0 233.355 3.179 20 10 BGCDRN Cc1ccc(O)c(CN(C)c2ccccc2)c1 ZINC000131889885 591674964 /nfs/dbraw/zinc/67/49/64/591674964.db2.gz OUSXFEQZIROAEF-UHFFFAOYSA-N 0 0 227.307 3.337 20 10 BGCDRN COc1ccc(O)c(CN(C)c2ccccc2)c1 ZINC000131895405 591675625 /nfs/dbraw/zinc/67/56/25/591675625.db2.gz TZQNWKPMTSDNCP-UHFFFAOYSA-N 0 0 243.306 3.037 20 10 BGCDRN COc1cccc(CN(C)c2ccccc2)c1O ZINC000131897973 591675805 /nfs/dbraw/zinc/67/58/05/591675805.db2.gz MDONXOMQLVRDDE-UHFFFAOYSA-N 0 0 243.306 3.037 20 10 BGCDRN CCC[N@H+](Cc1cccc(OC)c1O)C(C)C ZINC000132050980 645852585 /nfs/dbraw/zinc/85/25/85/645852585.db2.gz FRPKZRBJXKJCRB-UHFFFAOYSA-N 0 0 237.343 3.021 20 10 BGCDRN CC[N@H+](Cc1cc(OC)ccc1O)C1CCCC1 ZINC000132157628 345320138 /nfs/dbraw/zinc/32/01/38/345320138.db2.gz SYZONPHVDRLANX-UHFFFAOYSA-N 0 0 249.354 3.165 20 10 BGCDRN CCOc1cccc(C[N@@H+]2CCC[C@H]2CC)c1O ZINC000132437986 591709013 /nfs/dbraw/zinc/70/90/13/591709013.db2.gz TZADAJRLMJFECX-CYBMUJFWSA-N 0 0 249.354 3.165 20 10 BGCDRN CCOc1cccc(C[N@@H+]2CCC[C@@H]2CC)c1O ZINC000132438195 591708020 /nfs/dbraw/zinc/70/80/20/591708020.db2.gz TZADAJRLMJFECX-ZDUSSCGKSA-N 0 0 249.354 3.165 20 10 BGCDRN CCN(Cc1cc(C)ccc1O)CC(F)(F)F ZINC000132515236 345333714 /nfs/dbraw/zinc/33/37/14/345333714.db2.gz BGPIQXARWAZKNT-UHFFFAOYSA-N 0 0 247.260 3.085 20 10 BGCDRN CCC[C@@H](C)CC(=O)N(C)Cc1ccccc1O ZINC000132694544 591731408 /nfs/dbraw/zinc/73/14/08/591731408.db2.gz UQMZQDWSMFTGBF-GFCCVEGCSA-N 0 0 249.354 3.177 20 10 BGCDRN CCC[C@H](C)CC(=O)N(C)Cc1ccccc1O ZINC000132694769 591730730 /nfs/dbraw/zinc/73/07/30/591730730.db2.gz UQMZQDWSMFTGBF-LBPRGKRZSA-N 0 0 249.354 3.177 20 10 BGCDRN C[C@H]1CC[C@H](C)[N@H+](Cc2ccccc2O)C1 ZINC000132745185 177198141 /nfs/dbraw/zinc/19/81/41/177198141.db2.gz NBSKVUOHUGPLHN-RYUDHWBXSA-N 0 0 219.328 3.013 20 10 BGCDRN O=C(CSc1nccs1)C1CCCCC1 ZINC000132754924 711979032 /nfs/dbraw/zinc/97/90/32/711979032.db2.gz KPZNVMFFCHIXHC-UHFFFAOYSA-N 0 0 241.381 3.385 20 10 BGCDRN Cc1cccc(N(C)Cc2ccccc2O)c1 ZINC000132850273 591743452 /nfs/dbraw/zinc/74/34/52/591743452.db2.gz AFNVNRLTGYKHHX-UHFFFAOYSA-N 0 0 227.307 3.337 20 10 BGCDRN Cc1ccc(N(C)Cc2ccccc2O)cc1 ZINC000132938942 712639660 /nfs/dbraw/zinc/63/96/60/712639660.db2.gz LZDYKRGPGKFHPR-UHFFFAOYSA-N 0 0 227.307 3.337 20 10 BGCDRN c1csc(SCCc2ccccc2)n1 ZINC000133221259 710969768 /nfs/dbraw/zinc/96/97/68/710969768.db2.gz NABXZLXGLQVEDY-UHFFFAOYSA-N 0 0 221.350 3.478 20 10 BGCDRN CCCCOCCSc1nccs1 ZINC000133258601 710969876 /nfs/dbraw/zinc/96/98/76/710969876.db2.gz NXSPDDPVDFUTKW-UHFFFAOYSA-N 0 0 217.359 3.052 20 10 BGCDRN CC(C)CCOCCSc1nccs1 ZINC000133258944 711981083 /nfs/dbraw/zinc/98/10/83/711981083.db2.gz RSYOWEFIZVSFTC-UHFFFAOYSA-N 0 0 231.386 3.298 20 10 BGCDRN CC[N@H+](Cc1c(O)cccc1Cl)C1CC1 ZINC000133321139 345369590 /nfs/dbraw/zinc/36/95/90/345369590.db2.gz JHGADFHJMCYOTM-UHFFFAOYSA-N 0 0 225.719 3.030 20 10 BGCDRN CCC1(C[NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000133359973 168479528 /nfs/dbraw/zinc/47/95/28/168479528.db2.gz YOQWEXYTKRKPFP-UHFFFAOYSA-N 0 0 239.746 3.325 20 10 BGCDRN CC1CCC([N@H+](C)Cc2ccccc2O)CC1 ZINC000133499100 591806308 /nfs/dbraw/zinc/80/63/08/591806308.db2.gz BEAAMRMVOZBVTM-UHFFFAOYSA-N 0 0 233.355 3.403 20 10 BGCDRN Oc1ccccc1CNc1nc2ccccc2o1 ZINC000133737924 591851171 /nfs/dbraw/zinc/85/11/71/591851171.db2.gz FWOQZXLFNAVFPG-UHFFFAOYSA-N 0 0 240.262 3.146 20 10 BGCDRN CCCC[C@@H](CC)C(=O)NCc1ccccc1O ZINC000133938421 353430605 /nfs/dbraw/zinc/43/06/05/353430605.db2.gz QZKKWZAPIINWHD-GFCCVEGCSA-N 0 0 249.354 3.225 20 10 BGCDRN CCCC[C@H](CC)C(=O)NCc1ccccc1O ZINC000133938602 353430687 /nfs/dbraw/zinc/43/06/87/353430687.db2.gz QZKKWZAPIINWHD-LBPRGKRZSA-N 0 0 249.354 3.225 20 10 BGCDRN Oc1ccccc1C[NH2+]C/C=C/c1ccccc1 ZINC000134264362 591908176 /nfs/dbraw/zinc/90/81/76/591908176.db2.gz UXXUKDBNZGZAFY-RMKNXTFCSA-N 0 0 239.318 3.195 20 10 BGCDRN C[C@H](Sc1nccs1)C(F)(F)F ZINC000134591775 177030280 /nfs/dbraw/zinc/03/02/80/177030280.db2.gz OMBFZNRZPRXOFQ-BYPYZUCNSA-N 0 0 213.249 3.186 20 10 BGCDRN C[C@@H](Sc1nccs1)C(F)(F)F ZINC000134591794 176010364 /nfs/dbraw/zinc/01/03/64/176010364.db2.gz OMBFZNRZPRXOFQ-SCSAIBSYSA-N 0 0 213.249 3.186 20 10 BGCDRN CCC(C)(CC)C(=O)N(C)Cc1ccccc1O ZINC000134893236 591958030 /nfs/dbraw/zinc/95/80/30/591958030.db2.gz PEKHRAZMIWZTQB-UHFFFAOYSA-N 0 0 249.354 3.177 20 10 BGCDRN CCCC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000134902955 591957682 /nfs/dbraw/zinc/95/76/82/591957682.db2.gz LCJIKXWITWDGNE-QMMMGPOBSA-N 0 0 229.270 3.121 20 10 BGCDRN CCCC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000134902976 591957640 /nfs/dbraw/zinc/95/76/40/591957640.db2.gz LCJIKXWITWDGNE-MRVPVSSYSA-N 0 0 229.270 3.121 20 10 BGCDRN CC[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000134907220 591958414 /nfs/dbraw/zinc/95/84/14/591958414.db2.gz JNJKFNVXMXJUGI-SFYZADRCSA-N 0 0 229.270 3.120 20 10 BGCDRN CC[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000134907241 591958087 /nfs/dbraw/zinc/95/80/87/591958087.db2.gz JNJKFNVXMXJUGI-YUMQZZPRSA-N 0 0 229.270 3.120 20 10 BGCDRN CC[C@@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000134907261 591958115 /nfs/dbraw/zinc/95/81/15/591958115.db2.gz JNJKFNVXMXJUGI-HTQZYQBOSA-N 0 0 229.270 3.120 20 10 BGCDRN CC[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000134907278 591958100 /nfs/dbraw/zinc/95/81/00/591958100.db2.gz JNJKFNVXMXJUGI-JGVFFNPUSA-N 0 0 229.270 3.120 20 10 BGCDRN CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000134910192 170141548 /nfs/dbraw/zinc/14/15/48/170141548.db2.gz ACJZJVLVMQMFRQ-LURJTMIESA-N 0 0 234.126 3.370 20 10 BGCDRN CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000134910210 170159205 /nfs/dbraw/zinc/15/92/05/170159205.db2.gz ACJZJVLVMQMFRQ-ZCFIWIBFSA-N 0 0 234.126 3.370 20 10 BGCDRN [O-]c1c(Cl)cccc1C[NH2+]C1CCCCC1 ZINC000135750273 592044845 /nfs/dbraw/zinc/04/48/45/592044845.db2.gz VHLCBKIIUKBHCT-UHFFFAOYSA-N 0 0 239.746 3.468 20 10 BGCDRN CC[C@@H]1CC[C@H](C)N1C(=O)Nc1ccc(N)cc1 ZINC000136264865 592104176 /nfs/dbraw/zinc/10/41/76/592104176.db2.gz GFGOWZUVZUBJMD-GXFFZTMASA-N 0 0 247.342 3.064 20 10 BGCDRN CC[C@H]1CC[C@H](C)N1C(=O)Nc1ccc(N)cc1 ZINC000136264909 592103886 /nfs/dbraw/zinc/10/38/86/592103886.db2.gz GFGOWZUVZUBJMD-GWCFXTLKSA-N 0 0 247.342 3.064 20 10 BGCDRN CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1ccc(N)cc1 ZINC000136264953 592104239 /nfs/dbraw/zinc/10/42/39/592104239.db2.gz GFGOWZUVZUBJMD-ZWNOBZJWSA-N 0 0 247.342 3.064 20 10 BGCDRN CC[C@H]1CC[C@@H](C)N1C(=O)Nc1ccc(N)cc1 ZINC000136265000 592104285 /nfs/dbraw/zinc/10/42/85/592104285.db2.gz GFGOWZUVZUBJMD-MFKMUULPSA-N 0 0 247.342 3.064 20 10 BGCDRN COc1ccc(N(CCCF)C(C)C)cc1F ZINC000137016011 592153341 /nfs/dbraw/zinc/15/33/41/592153341.db2.gz CXFYBAQLJWHQPR-UHFFFAOYSA-N 0 0 243.297 3.409 20 10 BGCDRN Oc1ccccc1C[N@@H+]1CCc2ccsc2C1 ZINC000138548265 344324945 /nfs/dbraw/zinc/32/49/45/344324945.db2.gz DPTIQAPUMWZAPA-UHFFFAOYSA-N 0 0 245.347 3.012 20 10 BGCDRN Fc1ccc(Sc2nccs2)cc1 ZINC000145303523 343870366 /nfs/dbraw/zinc/87/03/66/343870366.db2.gz LHLLWYFKHWBMHH-UHFFFAOYSA-N 0 0 211.286 3.433 20 10 BGCDRN Cc1cccc(CN(C)c2ccccc2)c1O ZINC000148530009 583990860 /nfs/dbraw/zinc/99/08/60/583990860.db2.gz ZBVAAXKVYLHLGW-UHFFFAOYSA-N 0 0 227.307 3.337 20 10 BGCDRN Cc1ccc(O)c(CNc2ccc(Cl)nc2)c1 ZINC000149548685 638615575 /nfs/dbraw/zinc/61/55/75/638615575.db2.gz LQANDALOLIMNTK-UHFFFAOYSA-N 0 0 248.713 3.361 20 10 BGCDRN CCOc1ccc(N(C)Cc2cc(C)on2)cc1 ZINC000150728195 640075154 /nfs/dbraw/zinc/07/51/54/640075154.db2.gz DVCNLQBNLNFRLB-UHFFFAOYSA-N 0 0 246.310 3.018 20 10 BGCDRN CCOc1ccc(N(C)C[C@@H]2CCCCO2)cc1 ZINC000150728318 640075726 /nfs/dbraw/zinc/07/57/26/640075726.db2.gz JWLYDPGIKIUEPL-HNNXBMFYSA-N 0 0 249.354 3.091 20 10 BGCDRN CCOc1ccc(N(C)C[C@H]2CCCCO2)cc1 ZINC000150728334 640075556 /nfs/dbraw/zinc/07/55/56/640075556.db2.gz JWLYDPGIKIUEPL-OAHLLOKOSA-N 0 0 249.354 3.091 20 10 BGCDRN CCN(Cc1ccco1)c1ccc(OC)c(F)c1 ZINC000150863615 640167659 /nfs/dbraw/zinc/16/76/59/640167659.db2.gz MWSGWLXWSBIDRK-UHFFFAOYSA-N 0 0 249.285 3.454 20 10 BGCDRN COc1ccc(N(C)Cc2ccco2)cc1F ZINC000150865753 640165352 /nfs/dbraw/zinc/16/53/52/640165352.db2.gz JQLCKXWXWFLYBP-UHFFFAOYSA-N 0 0 235.258 3.064 20 10 BGCDRN COc1ccc(N(C)CCCF)cc1Cl ZINC000151836201 175136289 /nfs/dbraw/zinc/13/62/89/175136289.db2.gz CNKOIBIOTBCCCD-UHFFFAOYSA-N 0 0 231.698 3.144 20 10 BGCDRN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1CC1 ZINC000153775251 385277855 /nfs/dbraw/zinc/27/78/55/385277855.db2.gz XNLFOVPLNFXEAB-UHFFFAOYSA-N 0 0 246.137 3.293 20 10 BGCDRN Cc1ccc(N[C@@H](C)c2ccc(F)cc2O)cn1 ZINC000154242883 641990679 /nfs/dbraw/zinc/99/06/79/641990679.db2.gz CSSLDLFJSWXEGY-JTQLQIEISA-N 0 0 246.285 3.408 20 10 BGCDRN Cc1ccc(N[C@H](C)c2ccc(F)cc2O)cn1 ZINC000154242985 632830047 /nfs/dbraw/zinc/83/00/47/632830047.db2.gz CSSLDLFJSWXEGY-SNVBAGLBSA-N 0 0 246.285 3.408 20 10 BGCDRN Cc1ccc(N[C@@H](C)c2cc(F)ccc2O)cn1 ZINC000154255865 641995429 /nfs/dbraw/zinc/99/54/29/641995429.db2.gz BJARAGGJMFINME-JTQLQIEISA-N 0 0 246.285 3.408 20 10 BGCDRN Cc1ccc(N[C@H](C)c2cc(F)ccc2O)cn1 ZINC000154255974 641995254 /nfs/dbraw/zinc/99/52/54/641995254.db2.gz BJARAGGJMFINME-SNVBAGLBSA-N 0 0 246.285 3.408 20 10 BGCDRN Cc1ccc(N[C@@H](C)c2ccccc2O)cn1 ZINC000154257064 632830610 /nfs/dbraw/zinc/83/06/10/632830610.db2.gz XVGWKZACWBXESC-NSHDSACASA-N 0 0 228.295 3.269 20 10 BGCDRN Cc1ccc(N[C@H](C)c2ccccc2O)cn1 ZINC000154257168 641996939 /nfs/dbraw/zinc/99/69/39/641996939.db2.gz XVGWKZACWBXESC-LLVKDONJSA-N 0 0 228.295 3.269 20 10 BGCDRN CCCOc1ccc(N2CCCC2)cc1 ZINC000154705625 642188000 /nfs/dbraw/zinc/18/80/00/642188000.db2.gz LCOIFTBHXCLSPQ-UHFFFAOYSA-N 0 0 205.301 3.076 20 10 BGCDRN C[C@@H](CO)CSc1ncc(C(C)(C)C)s1 ZINC000155271422 641564362 /nfs/dbraw/zinc/56/43/62/641564362.db2.gz IDFXRAWXDSCSGO-QMMMGPOBSA-N 0 0 245.413 3.161 20 10 BGCDRN C[C@H](CO)CSc1ncc(C(C)(C)C)s1 ZINC000155271537 641563668 /nfs/dbraw/zinc/56/36/68/641563668.db2.gz IDFXRAWXDSCSGO-MRVPVSSYSA-N 0 0 245.413 3.161 20 10 BGCDRN CCc1noc(C)c1CSc1nccs1 ZINC000155534245 172080350 /nfs/dbraw/zinc/08/03/50/172080350.db2.gz NHIAYGLHOCFDAX-UHFFFAOYSA-N 0 0 240.353 3.294 20 10 BGCDRN c1csc(SCc2cnc3ccccn23)n1 ZINC000155942458 641588384 /nfs/dbraw/zinc/58/83/84/641588384.db2.gz LCGZKBBOKKVEAD-UHFFFAOYSA-N 0 0 247.348 3.083 20 10 BGCDRN COc1ccc(N(C)CC2CC2)cc1Cl ZINC000156702347 640487180 /nfs/dbraw/zinc/48/71/80/640487180.db2.gz LXSQEAUUKSPWNO-UHFFFAOYSA-N 0 0 225.719 3.195 20 10 BGCDRN CCOc1ccc(N(C)Cc2ccccn2)cc1 ZINC000157309122 641615850 /nfs/dbraw/zinc/61/58/50/641615850.db2.gz UROGXRBUUXNQPX-UHFFFAOYSA-N 0 0 242.322 3.117 20 10 BGCDRN CCOc1ccc(N(C)Cc2cccnc2)cc1 ZINC000157310213 632903455 /nfs/dbraw/zinc/90/34/55/632903455.db2.gz WCYBHDNQHBUXRM-UHFFFAOYSA-N 0 0 242.322 3.117 20 10 BGCDRN Oc1cccc(Cl)c1CNc1ccccn1 ZINC000157429876 641618782 /nfs/dbraw/zinc/61/87/82/641618782.db2.gz PCOLDEZDCCHOIL-UHFFFAOYSA-N 0 0 234.686 3.053 20 10 BGCDRN Cc1ccc(NCc2cc(C)c(C)cc2O)nc1 ZINC000157462341 711828060 /nfs/dbraw/zinc/82/80/60/711828060.db2.gz FPRAEFQEYKWGBZ-UHFFFAOYSA-N 0 0 242.322 3.325 20 10 BGCDRN Cc1nc(CCSc2nccs2)cs1 ZINC000157628784 385512355 /nfs/dbraw/zinc/51/23/55/385512355.db2.gz ICCLVYGTSLFDAW-UHFFFAOYSA-N 0 0 242.394 3.243 20 10 BGCDRN c1cc(N2CCCC2)ccc1OCC1CCC1 ZINC000158014327 640785804 /nfs/dbraw/zinc/78/58/04/640785804.db2.gz WKHUHVCJSPFJKK-UHFFFAOYSA-N 0 0 231.339 3.466 20 10 BGCDRN CC[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000159248423 641672680 /nfs/dbraw/zinc/67/26/80/641672680.db2.gz BSZIGHMAKFKOLK-SNVBAGLBSA-N 0 0 239.746 3.278 20 10 BGCDRN CC[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000159248560 641673799 /nfs/dbraw/zinc/67/37/99/641673799.db2.gz BSZIGHMAKFKOLK-JTQLQIEISA-N 0 0 239.746 3.278 20 10 BGCDRN CCCC(CCC)C(=O)NCc1ccccc1O ZINC000159529855 168579827 /nfs/dbraw/zinc/57/98/27/168579827.db2.gz VQZAHJYJMUHPJN-UHFFFAOYSA-N 0 0 249.354 3.225 20 10 BGCDRN Cc1cccc(CN2CCc3ccccc32)c1O ZINC000160197295 711805963 /nfs/dbraw/zinc/80/59/63/711805963.db2.gz YMUOUBHTBXUWTQ-UHFFFAOYSA-N 0 0 239.318 3.263 20 10 BGCDRN C[C@@H]1C[C@H](C)C[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000160197438 711448221 /nfs/dbraw/zinc/44/82/21/711448221.db2.gz HGYOPABEJDKTNP-PHIMTYICSA-N 0 0 237.318 3.009 20 10 BGCDRN CC[C@@H](CC(=O)Nc1ccc(N)cc1)C(C)C ZINC000160338636 384402613 /nfs/dbraw/zinc/40/26/13/384402613.db2.gz WCCFRYHDRLGNMC-NSHDSACASA-N 0 0 234.343 3.280 20 10 BGCDRN CC[C@H](CC(=O)Nc1ccc(N)cc1)C(C)C ZINC000160338764 384403032 /nfs/dbraw/zinc/40/30/32/384403032.db2.gz WCCFRYHDRLGNMC-LLVKDONJSA-N 0 0 234.343 3.280 20 10 BGCDRN C/C(=C/C(=O)Nc1ccc(N)cc1)C(C)(C)C ZINC000160357715 643549915 /nfs/dbraw/zinc/54/99/15/643549915.db2.gz DCFZNAYOVMNGJM-KTKRTIGZSA-N 0 0 232.327 3.200 20 10 BGCDRN CC(C)CC1(C(=O)Nc2ccc(N)cc2)CCC1 ZINC000160359837 384402689 /nfs/dbraw/zinc/40/26/89/384402689.db2.gz UAYNYQLUDYFVSH-UHFFFAOYSA-N 0 0 246.354 3.424 20 10 BGCDRN CC(C(=O)Nc1ccc(N)cc1)=C1CCCC1 ZINC000160407068 384407954 /nfs/dbraw/zinc/40/79/54/384407954.db2.gz ABGCWZOPYTZPBQ-UHFFFAOYSA-N 0 0 230.311 3.098 20 10 BGCDRN C[C@@H]1CC[C@H](CC(=O)Nc2ccc(N)cc2)C1 ZINC000160408499 176222693 /nfs/dbraw/zinc/22/26/93/176222693.db2.gz WSOYIWMFIUVUOV-MNOVXSKESA-N 0 0 232.327 3.034 20 10 BGCDRN C[C@H]1CC[C@H](CC(=O)Nc2ccc(N)cc2)C1 ZINC000160408628 177201399 /nfs/dbraw/zinc/20/13/99/177201399.db2.gz WSOYIWMFIUVUOV-QWRGUYRKSA-N 0 0 232.327 3.034 20 10 BGCDRN C[C@@H]1CC[C@@H](CC(=O)Nc2ccc(N)cc2)C1 ZINC000160408750 176200833 /nfs/dbraw/zinc/20/08/33/176200833.db2.gz WSOYIWMFIUVUOV-GHMZBOCLSA-N 0 0 232.327 3.034 20 10 BGCDRN C[C@H]1CC[C@@H](CC(=O)Nc2ccc(N)cc2)C1 ZINC000160408866 177188422 /nfs/dbraw/zinc/18/84/22/177188422.db2.gz WSOYIWMFIUVUOV-WDEREUQCSA-N 0 0 232.327 3.034 20 10 BGCDRN CC(C)(C)CCC(=O)Nc1ccc(N)cc1 ZINC000160459354 384413604 /nfs/dbraw/zinc/41/36/04/384413604.db2.gz FMFNAZUPOHHELG-UHFFFAOYSA-N 0 0 220.316 3.034 20 10 BGCDRN Cc1ccc(NCc2cccc(Cl)c2O)cn1 ZINC000161123388 711810611 /nfs/dbraw/zinc/81/06/11/711810611.db2.gz NFOMHFWRWHJQHO-UHFFFAOYSA-N 0 0 248.713 3.361 20 10 BGCDRN Cc1cccc(CNc2cccnc2C)c1O ZINC000161123541 711810731 /nfs/dbraw/zinc/81/07/31/711810731.db2.gz QLWFYFMJSMOYRH-UHFFFAOYSA-N 0 0 228.295 3.016 20 10 BGCDRN Cc1ncccc1NCc1cccc(Cl)c1O ZINC000161123656 711810675 /nfs/dbraw/zinc/81/06/75/711810675.db2.gz XAMIQOZHDNYHLH-UHFFFAOYSA-N 0 0 248.713 3.361 20 10 BGCDRN Cc1ccc(NCc2cccc(C)c2O)c(C)n1 ZINC000161123903 385937715 /nfs/dbraw/zinc/93/77/15/385937715.db2.gz COGLONAGYNLWIL-UHFFFAOYSA-N 0 0 242.322 3.325 20 10 BGCDRN Cc1cccc(CNc2ccc(Cl)nc2)c1O ZINC000161610233 633009783 /nfs/dbraw/zinc/00/97/83/633009783.db2.gz UBLUWVQSZYXVEG-UHFFFAOYSA-N 0 0 248.713 3.361 20 10 BGCDRN Cc1nc(NCc2ccccc2O)sc1C ZINC000162092259 632514382 /nfs/dbraw/zinc/51/43/82/632514382.db2.gz OVICYXXUBOEBDS-UHFFFAOYSA-N 0 0 234.324 3.078 20 10 BGCDRN CCc1csc(NCc2ccccc2O)n1 ZINC000162092416 633020843 /nfs/dbraw/zinc/02/08/43/633020843.db2.gz LNGZJNHTTGJMJA-UHFFFAOYSA-N 0 0 234.324 3.023 20 10 BGCDRN Oc1ccccc1CNc1ccncc1Cl ZINC000162092557 633020251 /nfs/dbraw/zinc/02/02/51/633020251.db2.gz XSSWGLIJHVHTFB-UHFFFAOYSA-N 0 0 234.686 3.053 20 10 BGCDRN C[C@@H](C[NH2+]Cc1cccc(Cl)c1[O-])C1CC1 ZINC000162529291 633031982 /nfs/dbraw/zinc/03/19/82/633031982.db2.gz MZSSYCVXJROOIL-VIFPVBQESA-N 0 0 239.746 3.181 20 10 BGCDRN C[C@H](C[NH2+]Cc1cccc(Cl)c1[O-])C1CC1 ZINC000162529416 633031295 /nfs/dbraw/zinc/03/12/95/633031295.db2.gz MZSSYCVXJROOIL-SECBINFHSA-N 0 0 239.746 3.181 20 10 BGCDRN C[C@@H](CNc1ccc(N)cc1)C(C)(C)C ZINC000162606762 634225645 /nfs/dbraw/zinc/22/56/45/634225645.db2.gz NZHHJHHJORNKSD-JTQLQIEISA-N 0 0 206.333 3.363 20 10 BGCDRN C[C@H](CNc1ccc(N)cc1)C(C)(C)C ZINC000162606861 634226433 /nfs/dbraw/zinc/22/64/33/634226433.db2.gz NZHHJHHJORNKSD-SNVBAGLBSA-N 0 0 206.333 3.363 20 10 BGCDRN [O-]c1c(Cl)cccc1C[NH2+]CCCC1CC1 ZINC000162655620 634260154 /nfs/dbraw/zinc/26/01/54/634260154.db2.gz CWXYHMRFLVFFDK-UHFFFAOYSA-N 0 0 239.746 3.325 20 10 BGCDRN CCC1([NH2+]Cc2cccc(Cl)c2[O-])CCC1 ZINC000162688312 384668813 /nfs/dbraw/zinc/66/88/13/384668813.db2.gz UQPJEDLWTBFRFM-UHFFFAOYSA-N 0 0 239.746 3.468 20 10 BGCDRN [O-]c1c(Cl)cccc1C[NH2+]CCC1CCC1 ZINC000162706735 634294948 /nfs/dbraw/zinc/29/49/48/634294948.db2.gz ZBOYBSCNLUALNU-UHFFFAOYSA-N 0 0 239.746 3.325 20 10 BGCDRN C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])C1CCC1 ZINC000162721220 633038483 /nfs/dbraw/zinc/03/84/83/633038483.db2.gz KNPKNOQBHIPTHA-VIFPVBQESA-N 0 0 239.746 3.324 20 10 BGCDRN C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])C1CCC1 ZINC000162721357 634312298 /nfs/dbraw/zinc/31/22/98/634312298.db2.gz KNPKNOQBHIPTHA-SECBINFHSA-N 0 0 239.746 3.324 20 10 BGCDRN CCC[N@H+](CC)Cc1cccc(Cl)c1[O-] ZINC000162804551 711724793 /nfs/dbraw/zinc/72/47/93/711724793.db2.gz SLTAFIVVUPSTMF-UHFFFAOYSA-N 0 0 227.735 3.278 20 10 BGCDRN [O-]c1c(Cl)cccc1C[NH+]1CCCCCC1 ZINC000162804711 711725442 /nfs/dbraw/zinc/72/54/42/711725442.db2.gz RRCNMWZRNIWJQP-UHFFFAOYSA-N 0 0 239.746 3.422 20 10 BGCDRN C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000162805074 711680450 /nfs/dbraw/zinc/68/04/50/711680450.db2.gz YSZSUYHWVZMGKQ-JTQLQIEISA-N 0 0 239.746 3.278 20 10 BGCDRN CCCC[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000162805818 634464770 /nfs/dbraw/zinc/46/47/70/634464770.db2.gz FPSIUVDCRMSZEB-UHFFFAOYSA-N 0 0 227.735 3.278 20 10 BGCDRN CC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000162806227 711680364 /nfs/dbraw/zinc/68/03/64/711680364.db2.gz ZDQVLWDQAQAUSU-UHFFFAOYSA-N 0 0 239.746 3.278 20 10 BGCDRN C[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000162806640 711680283 /nfs/dbraw/zinc/68/02/83/711680283.db2.gz IFFARFWHTLIQGN-SNVBAGLBSA-N 0 0 239.746 3.420 20 10 BGCDRN C[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000162806746 711680343 /nfs/dbraw/zinc/68/03/43/711680343.db2.gz IFFARFWHTLIQGN-JTQLQIEISA-N 0 0 239.746 3.420 20 10 BGCDRN C[N@H+](Cc1cccc(Cl)c1[O-])C1CCCC1 ZINC000162807400 384688085 /nfs/dbraw/zinc/68/80/85/384688085.db2.gz GEYDSZDDQYBJMH-UHFFFAOYSA-N 0 0 239.746 3.420 20 10 BGCDRN CC(C)C[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000162809286 361364904 /nfs/dbraw/zinc/36/49/04/361364904.db2.gz DQWIVXAFNMRDPH-UHFFFAOYSA-N 0 0 227.735 3.133 20 10 BGCDRN CC[C@@H](C)[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000162812033 634554104 /nfs/dbraw/zinc/55/41/04/634554104.db2.gz IVGQJESNWSQBOA-SECBINFHSA-N 0 0 227.735 3.276 20 10 BGCDRN CC[C@H](C)[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000162812164 635434407 /nfs/dbraw/zinc/43/44/07/635434407.db2.gz IVGQJESNWSQBOA-VIFPVBQESA-N 0 0 227.735 3.276 20 10 BGCDRN CC[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000162816046 633040761 /nfs/dbraw/zinc/04/07/61/633040761.db2.gz NMXXVJPYDCOCGX-LLVKDONJSA-N 0 0 239.746 3.420 20 10 BGCDRN CC[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000162816175 634566557 /nfs/dbraw/zinc/56/65/57/634566557.db2.gz NMXXVJPYDCOCGX-NSHDSACASA-N 0 0 239.746 3.420 20 10 BGCDRN CC1(C)CCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000162817790 634571930 /nfs/dbraw/zinc/57/19/30/634571930.db2.gz ZLNJENBCYWMZQY-UHFFFAOYSA-N 0 0 239.746 3.420 20 10 BGCDRN C[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000162819544 176110694 /nfs/dbraw/zinc/11/06/94/176110694.db2.gz LUPBBVDMSOLEJY-SECBINFHSA-N 0 0 225.719 3.030 20 10 BGCDRN C[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000162819670 177110645 /nfs/dbraw/zinc/11/06/45/177110645.db2.gz LUPBBVDMSOLEJY-VIFPVBQESA-N 0 0 225.719 3.030 20 10 BGCDRN CC1(C)CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000162819959 634576188 /nfs/dbraw/zinc/57/61/88/634576188.db2.gz PUDHMROHVMSUCX-UHFFFAOYSA-N 0 0 239.746 3.278 20 10 BGCDRN C[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])C[C@H]1C ZINC000162820510 634578626 /nfs/dbraw/zinc/57/86/26/634578626.db2.gz SZXNOIPXGLYHRT-AOOOYVTPSA-N 0 0 239.746 3.133 20 10 BGCDRN C[C@H]1C[NH+](Cc2cccc(Cl)c2[O-])C[C@@H]1C ZINC000162820641 633040840 /nfs/dbraw/zinc/04/08/40/633040840.db2.gz SZXNOIPXGLYHRT-UWVGGRQHSA-N 0 0 239.746 3.133 20 10 BGCDRN C[C@@H]1C[NH+](Cc2cccc(Cl)c2[O-])C[C@H]1C ZINC000162820776 633039337 /nfs/dbraw/zinc/03/93/37/633039337.db2.gz SZXNOIPXGLYHRT-NXEZZACHSA-N 0 0 239.746 3.133 20 10 BGCDRN [O-]c1c(Cl)cccc1C[NH2+]C1CCCC1 ZINC000162822043 635129317 /nfs/dbraw/zinc/12/93/17/635129317.db2.gz LOQIXTACQBOKQS-UHFFFAOYSA-N 0 0 225.719 3.078 20 10 BGCDRN CCC(CC)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162822308 168390255 /nfs/dbraw/zinc/39/02/55/168390255.db2.gz RERGBSRDYPAAIS-UHFFFAOYSA-N 0 0 227.735 3.324 20 10 BGCDRN CC(C)CC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162822582 397959061 /nfs/dbraw/zinc/95/90/61/397959061.db2.gz AGBANEHBSMGQIO-UHFFFAOYSA-N 0 0 227.735 3.181 20 10 BGCDRN CCCCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162823276 711809969 /nfs/dbraw/zinc/80/99/69/711809969.db2.gz AAQKJZJXNPVYHA-UHFFFAOYSA-N 0 0 227.735 3.325 20 10 BGCDRN CC(C)[C@@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162823993 167381776 /nfs/dbraw/zinc/38/17/76/167381776.db2.gz RVYBYRKAIXGXKZ-SECBINFHSA-N 0 0 227.735 3.180 20 10 BGCDRN CC(C)[C@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162824112 397958880 /nfs/dbraw/zinc/95/88/80/397958880.db2.gz RVYBYRKAIXGXKZ-VIFPVBQESA-N 0 0 227.735 3.180 20 10 BGCDRN CCC[C@@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162824656 711810004 /nfs/dbraw/zinc/81/00/04/711810004.db2.gz CDOKSBVONUDMIG-SECBINFHSA-N 0 0 227.735 3.324 20 10 BGCDRN CCC[C@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162824792 635134135 /nfs/dbraw/zinc/13/41/35/635134135.db2.gz CDOKSBVONUDMIG-VIFPVBQESA-N 0 0 227.735 3.324 20 10 BGCDRN CC1([NH2+]Cc2cccc(Cl)c2[O-])CCCC1 ZINC000162825808 168064235 /nfs/dbraw/zinc/06/42/35/168064235.db2.gz RNZMLXLFPDBUPX-UHFFFAOYSA-N 0 0 239.746 3.468 20 10 BGCDRN CC(C)(C)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162831426 397959038 /nfs/dbraw/zinc/95/90/38/397959038.db2.gz ROSVNJCRTMIYFC-UHFFFAOYSA-N 0 0 227.735 3.181 20 10 BGCDRN CCC(C)(C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162834266 168299792 /nfs/dbraw/zinc/29/97/92/168299792.db2.gz AXSGFAVVFMRAMN-UHFFFAOYSA-N 0 0 227.735 3.324 20 10 BGCDRN C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162862685 176131835 /nfs/dbraw/zinc/13/18/35/176131835.db2.gz UUHXJNRSODKFSG-SKDRFNHKSA-N 0 0 239.746 3.324 20 10 BGCDRN C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162862832 177127009 /nfs/dbraw/zinc/12/70/09/177127009.db2.gz UUHXJNRSODKFSG-CABZTGNLSA-N 0 0 239.746 3.324 20 10 BGCDRN C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162862959 176150584 /nfs/dbraw/zinc/15/05/84/176150584.db2.gz UUHXJNRSODKFSG-BXKDBHETSA-N 0 0 239.746 3.324 20 10 BGCDRN C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162863080 177142599 /nfs/dbraw/zinc/14/25/99/177142599.db2.gz UUHXJNRSODKFSG-JOYOIKCWSA-N 0 0 239.746 3.324 20 10 BGCDRN C[C@@H](CC1CC1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162864535 635144691 /nfs/dbraw/zinc/14/46/91/635144691.db2.gz RPPLCYBATXIHRF-VIFPVBQESA-N 0 0 239.746 3.324 20 10 BGCDRN C[C@H](CC1CC1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162864648 633041410 /nfs/dbraw/zinc/04/14/10/633041410.db2.gz RPPLCYBATXIHRF-SECBINFHSA-N 0 0 239.746 3.324 20 10 BGCDRN CC(C)[C@@H](C)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162866178 635144540 /nfs/dbraw/zinc/14/45/40/635144540.db2.gz HJWSPLSTZCCGIW-JTQLQIEISA-N 0 0 241.762 3.427 20 10 BGCDRN CC(C)[C@H](C)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162866282 635145040 /nfs/dbraw/zinc/14/50/40/635145040.db2.gz HJWSPLSTZCCGIW-SNVBAGLBSA-N 0 0 241.762 3.427 20 10 BGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CC=CCC1 ZINC000162866993 384699804 /nfs/dbraw/zinc/69/98/04/384699804.db2.gz AITDVQXUHMUCDB-NSHDSACASA-N 0 0 237.730 3.244 20 10 BGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CC=CCC1 ZINC000162867106 191118562 /nfs/dbraw/zinc/11/85/62/191118562.db2.gz AITDVQXUHMUCDB-LLVKDONJSA-N 0 0 237.730 3.244 20 10 BGCDRN CC1([NH2+]Cc2cccc(Cl)c2[O-])CCC1 ZINC000162980529 168064172 /nfs/dbraw/zinc/06/41/72/168064172.db2.gz OUPQZPQQVUJXBP-UHFFFAOYSA-N 0 0 225.719 3.078 20 10 BGCDRN C[C@@H](CNC(=O)Nc1ccc(N)cc1)C(C)(C)C ZINC000163022629 633044126 /nfs/dbraw/zinc/04/41/26/633044126.db2.gz ALCWWAFLBJTIDS-JTQLQIEISA-N 0 0 249.358 3.073 20 10 BGCDRN CC(C)(O)CSc1ncc(C(C)(C)C)s1 ZINC000164123368 187474529 /nfs/dbraw/zinc/47/45/29/187474529.db2.gz ACSNDVOURRZTGT-UHFFFAOYSA-N 0 0 245.413 3.304 20 10 BGCDRN CC(=O)CSc1ncc(C(C)(C)C)s1 ZINC000164143362 640449441 /nfs/dbraw/zinc/44/94/41/640449441.db2.gz OLCIEISSLAQDDM-UHFFFAOYSA-N 0 0 229.370 3.122 20 10 BGCDRN C[NH+](C)CCSc1ncc(C(C)(C)C)s1 ZINC000164155264 384926973 /nfs/dbraw/zinc/92/69/73/384926973.db2.gz ABZQXLIHWNTINV-UHFFFAOYSA-N 0 0 244.429 3.094 20 10 BGCDRN COCSc1ncc(C(C)(C)C)s1 ZINC000164191410 388167083 /nfs/dbraw/zinc/16/70/83/388167083.db2.gz DGNKMLMQKNBCKV-UHFFFAOYSA-N 0 0 217.359 3.137 20 10 BGCDRN COCCSc1ncc(C(C)(C)C)s1 ZINC000164295296 174377932 /nfs/dbraw/zinc/37/79/32/174377932.db2.gz OPPHGYFGEQCTSE-UHFFFAOYSA-N 0 0 231.386 3.179 20 10 BGCDRN CC[C@@H](C)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000165162535 640543994 /nfs/dbraw/zinc/54/39/94/640543994.db2.gz ARJHRAYKTGAETC-SECBINFHSA-N 0 0 227.735 3.181 20 10 BGCDRN CC[C@H](C)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000165162653 640542566 /nfs/dbraw/zinc/54/25/66/640542566.db2.gz ARJHRAYKTGAETC-VIFPVBQESA-N 0 0 227.735 3.181 20 10 BGCDRN CCCC[N@H+](CC)Cc1cccc(F)c1[O-] ZINC000165408988 633091318 /nfs/dbraw/zinc/09/13/18/633091318.db2.gz DWPPCWLCMJQJPD-UHFFFAOYSA-N 0 0 225.307 3.153 20 10 BGCDRN CCC[NH+](CCC)Cc1cccc(F)c1[O-] ZINC000165410562 640569942 /nfs/dbraw/zinc/56/99/42/640569942.db2.gz CPWIYSZJOSUIGT-UHFFFAOYSA-N 0 0 225.307 3.153 20 10 BGCDRN CC(C)[C@@H](C)[N@H+](C)Cc1cccc(F)c1[O-] ZINC000165414355 167367900 /nfs/dbraw/zinc/36/79/00/167367900.db2.gz ZBBMKTMKMWUGGJ-SNVBAGLBSA-N 0 0 225.307 3.008 20 10 BGCDRN CC(C)[C@H](C)[N@H+](C)Cc1cccc(F)c1[O-] ZINC000165414498 187303088 /nfs/dbraw/zinc/30/30/88/187303088.db2.gz ZBBMKTMKMWUGGJ-JTQLQIEISA-N 0 0 225.307 3.008 20 10 BGCDRN C[N@H+](Cc1cccc(F)c1[O-])CC(C)(C)C ZINC000165417027 385123424 /nfs/dbraw/zinc/12/34/24/385123424.db2.gz YRXQPDXUMXXGBJ-UHFFFAOYSA-N 0 0 225.307 3.009 20 10 BGCDRN C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])C1CC1 ZINC000168744171 633146399 /nfs/dbraw/zinc/14/63/99/633146399.db2.gz NMYGPAGCENCCCD-UWVGGRQHSA-N 0 0 237.318 3.228 20 10 BGCDRN C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])C1CC1 ZINC000168744270 633147701 /nfs/dbraw/zinc/14/77/01/633147701.db2.gz NMYGPAGCENCCCD-ZJUUUORDSA-N 0 0 237.318 3.228 20 10 BGCDRN C[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])C1CC1 ZINC000168744371 633146278 /nfs/dbraw/zinc/14/62/78/633146278.db2.gz NMYGPAGCENCCCD-VHSXEESVSA-N 0 0 237.318 3.228 20 10 BGCDRN C[C@@H]([NH2+]C[C@@H](C)C1CC1)c1ccc(F)cc1[O-] ZINC000168744465 633147656 /nfs/dbraw/zinc/14/76/56/633147656.db2.gz NMYGPAGCENCCCD-NXEZZACHSA-N 0 0 237.318 3.228 20 10 BGCDRN C[C@H]([NH2+]CCCC1CC1)c1ccc(F)cc1[O-] ZINC000168835517 633150494 /nfs/dbraw/zinc/15/04/94/633150494.db2.gz YEXJUISZWCORBD-JTQLQIEISA-N 0 0 237.318 3.372 20 10 BGCDRN C[C@@H]([NH2+]CCCC1CC1)c1ccc(F)cc1[O-] ZINC000168835616 633150335 /nfs/dbraw/zinc/15/03/35/633150335.db2.gz YEXJUISZWCORBD-SNVBAGLBSA-N 0 0 237.318 3.372 20 10 BGCDRN C[C@H]([NH2+]CCC1CCC1)c1ccc(F)cc1[O-] ZINC000168842390 640829341 /nfs/dbraw/zinc/82/93/41/640829341.db2.gz DQGLTOHJJQMKSD-JTQLQIEISA-N 0 0 237.318 3.372 20 10 BGCDRN C[C@@H]([NH2+]CCC1CCC1)c1ccc(F)cc1[O-] ZINC000168842476 633149440 /nfs/dbraw/zinc/14/94/40/633149440.db2.gz DQGLTOHJJQMKSD-SNVBAGLBSA-N 0 0 237.318 3.372 20 10 BGCDRN C[C@H]([NH2+][C@@H](C)C1CCC1)c1ccc(F)cc1[O-] ZINC000168856671 633149891 /nfs/dbraw/zinc/14/98/91/633149891.db2.gz WVLMFVSAANOYSD-UWVGGRQHSA-N 0 0 237.318 3.371 20 10 BGCDRN C[C@@H]([NH2+][C@@H](C)C1CCC1)c1ccc(F)cc1[O-] ZINC000168856767 633150856 /nfs/dbraw/zinc/15/08/56/633150856.db2.gz WVLMFVSAANOYSD-VHSXEESVSA-N 0 0 237.318 3.371 20 10 BGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])C1CCC1 ZINC000168856858 633149956 /nfs/dbraw/zinc/14/99/56/633149956.db2.gz WVLMFVSAANOYSD-ZJUUUORDSA-N 0 0 237.318 3.371 20 10 BGCDRN C[C@@H]([NH2+][C@H](C)C1CCC1)c1ccc(F)cc1[O-] ZINC000168856953 633151110 /nfs/dbraw/zinc/15/11/10/633151110.db2.gz WVLMFVSAANOYSD-NXEZZACHSA-N 0 0 237.318 3.371 20 10 BGCDRN O=[N+]([O-])c1ccc(Sc2nccs2)cc1 ZINC000168984416 346750159 /nfs/dbraw/zinc/75/01/59/346750159.db2.gz PIBPBGMHPUPAMF-UHFFFAOYSA-N 0 0 238.293 3.203 20 10 BGCDRN Cc1cccc(C[N@@H+](C)Cc2ccccc2O)c1 ZINC000171937058 641024159 /nfs/dbraw/zinc/02/41/59/641024159.db2.gz BBBFZVUBTOQWFR-UHFFFAOYSA-N 0 0 241.334 3.333 20 10 BGCDRN CC(C)n1ccc(CSc2nccs2)n1 ZINC000172220227 384549238 /nfs/dbraw/zinc/54/92/38/384549238.db2.gz INNOWTCALIRGPR-UHFFFAOYSA-N 0 0 239.369 3.213 20 10 BGCDRN Cc1ncsc1CCSc1nccs1 ZINC000172294989 180311492 /nfs/dbraw/zinc/31/14/92/180311492.db2.gz HUBFTLVEWUHZIW-UHFFFAOYSA-N 0 0 242.394 3.243 20 10 BGCDRN CC(C)OC(=O)O[C@@H](C)Sc1nccs1 ZINC000175253176 167166427 /nfs/dbraw/zinc/16/64/27/167166427.db2.gz CFQKTBFMKYBDOG-SSDOTTSWSA-N 0 0 247.341 3.143 20 10 BGCDRN CC(C)OC(=O)O[C@H](C)Sc1nccs1 ZINC000175253195 167166139 /nfs/dbraw/zinc/16/61/39/167166139.db2.gz CFQKTBFMKYBDOG-ZETCQYMHSA-N 0 0 247.341 3.143 20 10 BGCDRN COc1ccc(N(C)CCSC)cc1Cl ZINC000177269271 643429859 /nfs/dbraw/zinc/42/98/59/643429859.db2.gz NVPTUSOERYBSKZ-UHFFFAOYSA-N 0 0 245.775 3.148 20 10 BGCDRN CC(C)[N@H+](Cc1cc(Cl)ccc1O)C1CC1 ZINC000179484923 632721927 /nfs/dbraw/zinc/72/19/27/632721927.db2.gz DLPWVVACHLBCMR-UHFFFAOYSA-N 0 0 239.746 3.418 20 10 BGCDRN Oc1ccccc1C[N@@H+]1CCC2(CCCC2)C1 ZINC000179573773 134321924 /nfs/dbraw/zinc/32/19/24/134321924.db2.gz JIHLVKZYDHLDSI-UHFFFAOYSA-N 0 0 231.339 3.158 20 10 BGCDRN CC[N@H+](Cc1cccc(Cl)c1[O-])C1CC1 ZINC000179684038 346992620 /nfs/dbraw/zinc/99/26/20/346992620.db2.gz BGRXDFTZGBLRDP-UHFFFAOYSA-N 0 0 225.719 3.030 20 10 BGCDRN CC(C)[N@H+](Cc1cccc(Cl)c1[O-])C1CC1 ZINC000179725751 385487381 /nfs/dbraw/zinc/48/73/81/385487381.db2.gz IMWFUPHVJZMEDD-UHFFFAOYSA-N 0 0 239.746 3.418 20 10 BGCDRN Cc1ccc(C[N@@H+](C)Cc2cc(F)ccc2O)o1 ZINC000179884293 385497541 /nfs/dbraw/zinc/49/75/41/385497541.db2.gz OBQLFSMLJJTMIO-UHFFFAOYSA-N 0 0 249.285 3.065 20 10 BGCDRN CC(C)C[N@H+](Cc1cc(F)ccc1O)C1CC1 ZINC000179938233 642755592 /nfs/dbraw/zinc/75/55/92/642755592.db2.gz BZKXFVKMNBCLQP-UHFFFAOYSA-N 0 0 237.318 3.152 20 10 BGCDRN C[C@@H](C1CC1)[N@H+](Cc1cc(F)ccc1O)C1CC1 ZINC000179938277 642757677 /nfs/dbraw/zinc/75/76/77/642757677.db2.gz QRJYRBWVBTVUOG-JTQLQIEISA-N 0 0 249.329 3.294 20 10 BGCDRN C[C@H](C1CC1)[N@H+](Cc1cc(F)ccc1O)C1CC1 ZINC000179938293 642757728 /nfs/dbraw/zinc/75/77/28/642757728.db2.gz QRJYRBWVBTVUOG-SNVBAGLBSA-N 0 0 249.329 3.294 20 10 BGCDRN CC[C@@H](C)C[N@H+](C)Cc1cc(F)ccc1O ZINC000179940346 642756079 /nfs/dbraw/zinc/75/60/79/642756079.db2.gz CJQKUFYOMYNNNC-SNVBAGLBSA-N 0 0 225.307 3.009 20 10 BGCDRN CC[C@H](C)C[N@H+](C)Cc1cc(F)ccc1O ZINC000179940356 642756843 /nfs/dbraw/zinc/75/68/43/642756843.db2.gz CJQKUFYOMYNNNC-JTQLQIEISA-N 0 0 225.307 3.009 20 10 BGCDRN CC(C)C[N@H+](Cc1cc(F)ccc1O)C(C)C ZINC000179940855 642755976 /nfs/dbraw/zinc/75/59/76/642755976.db2.gz FCSGZEXPKUYTRZ-UHFFFAOYSA-N 0 0 239.334 3.398 20 10 BGCDRN CC[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000179941900 642756693 /nfs/dbraw/zinc/75/66/93/642756693.db2.gz KLJGJEINNOSQMA-NSHDSACASA-N 0 0 237.318 3.153 20 10 BGCDRN CCCN(Cc1cccc(C)c1O)CC(F)F ZINC000179943099 169175470 /nfs/dbraw/zinc/17/54/70/169175470.db2.gz DZBDNCSBNDVTHC-UHFFFAOYSA-N 0 0 243.297 3.178 20 10 BGCDRN Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000179985865 633877569 /nfs/dbraw/zinc/87/75/69/633877569.db2.gz BYFOFXDPQRZVCP-FZMZJTMJSA-N 0 0 249.329 3.296 20 10 BGCDRN CCCN(Cc1cc(F)ccc1O)CC(F)F ZINC000180022497 169172767 /nfs/dbraw/zinc/17/27/67/169172767.db2.gz GTOASTRUMJQUNJ-UHFFFAOYSA-N 0 0 247.260 3.008 20 10 BGCDRN Oc1ccc(F)cc1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000180161874 642778476 /nfs/dbraw/zinc/77/84/76/642778476.db2.gz VHJQIMPBECGITG-TXEJJXNPSA-N 0 0 249.329 3.153 20 10 BGCDRN CC[N@@H+](Cc1cccc(Cl)c1[O-])CC1CC1 ZINC000180232909 347019017 /nfs/dbraw/zinc/01/90/17/347019017.db2.gz QRGQERTYRXEASV-UHFFFAOYSA-N 0 0 239.746 3.278 20 10 BGCDRN C[N@H+](Cc1cccc(Cl)c1[O-])C1CCC1 ZINC000180295369 385518390 /nfs/dbraw/zinc/51/83/90/385518390.db2.gz DYCGUZNWCHSZDD-UHFFFAOYSA-N 0 0 225.719 3.030 20 10 BGCDRN CN(Cc1cc(F)ccc1O)c1ccccc1 ZINC000180413129 633888299 /nfs/dbraw/zinc/88/82/99/633888299.db2.gz DVPMWVJZTIAGTC-UHFFFAOYSA-N 0 0 231.270 3.168 20 10 BGCDRN C[C@@H]1CC[C@H](C)[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000180714579 642808975 /nfs/dbraw/zinc/80/89/75/642808975.db2.gz HNUZEXFLQKNPBA-AOOOYVTPSA-N 0 0 239.746 3.418 20 10 BGCDRN C[C@H]1CC[C@H](C)[NH+]1Cc1cccc(Cl)c1[O-] ZINC000180714597 642808970 /nfs/dbraw/zinc/80/89/70/642808970.db2.gz HNUZEXFLQKNPBA-UWVGGRQHSA-N 0 0 239.746 3.418 20 10 BGCDRN C[C@@H]1CC[C@@H](C)[NH+]1Cc1cccc(Cl)c1[O-] ZINC000180714614 642807127 /nfs/dbraw/zinc/80/71/27/642807127.db2.gz HNUZEXFLQKNPBA-NXEZZACHSA-N 0 0 239.746 3.418 20 10 BGCDRN CN(Cc1ccsc1)c1ccc2c(c1)OCO2 ZINC000180759998 633899505 /nfs/dbraw/zinc/89/95/05/633899505.db2.gz RHAXHWNSMFFYNI-UHFFFAOYSA-N 0 0 247.319 3.113 20 10 BGCDRN CN(Cc1cccs1)c1ccc2c(c1)OCO2 ZINC000180761025 642812026 /nfs/dbraw/zinc/81/20/26/642812026.db2.gz NJWITISJBGJGEU-UHFFFAOYSA-N 0 0 247.319 3.113 20 10 BGCDRN C[N@H+](CCC1CC1)Cc1cccc(Cl)c1[O-] ZINC000180767130 385545882 /nfs/dbraw/zinc/54/58/82/385545882.db2.gz GJBNBZWVLBOSDO-UHFFFAOYSA-N 0 0 239.746 3.278 20 10 BGCDRN COc1ccc(N(C)Cc2ccc(C)o2)cc1F ZINC000180774285 633899214 /nfs/dbraw/zinc/89/92/14/633899214.db2.gz AHTBQHIAGUMGHY-UHFFFAOYSA-N 0 0 249.285 3.372 20 10 BGCDRN Oc1ccc(-c2csc(CC3CC3)n2)cc1O ZINC000181310124 183264881 /nfs/dbraw/zinc/26/48/81/183264881.db2.gz GNSMQMUZXBBHIX-UHFFFAOYSA-N 0 0 247.319 3.174 20 10 BGCDRN Cc1cc(O)c(CNc2ccc(F)cn2)cc1C ZINC000181576601 642884714 /nfs/dbraw/zinc/88/47/14/642884714.db2.gz MXXJQXCPJRPASP-UHFFFAOYSA-N 0 0 246.285 3.155 20 10 BGCDRN CC(C)OCCOc1ccc(N2CCCC2)cc1 ZINC000181682056 167247936 /nfs/dbraw/zinc/24/79/36/167247936.db2.gz VRYXHRFZPLNFIN-UHFFFAOYSA-N 0 0 249.354 3.091 20 10 BGCDRN Cc1nnc([C@@H](C)Sc2nccs2)s1 ZINC000181756661 385601344 /nfs/dbraw/zinc/60/13/44/385601344.db2.gz OOSLGOMPTQKNIR-RXMQYKEDSA-N 0 0 243.382 3.156 20 10 BGCDRN Cc1nnc([C@H](C)Sc2nccs2)s1 ZINC000181756682 385600927 /nfs/dbraw/zinc/60/09/27/385600927.db2.gz OOSLGOMPTQKNIR-YFKPBYRVSA-N 0 0 243.382 3.156 20 10 BGCDRN CC[C@@H](C)[C@@H](C)C(=O)N(C)Cc1ccccc1O ZINC000183291157 170767523 /nfs/dbraw/zinc/76/75/23/170767523.db2.gz SENZWUCEFBFQPV-VXGBXAGGSA-N 0 0 249.354 3.033 20 10 BGCDRN CC[C@H](C)[C@@H](C)C(=O)N(C)Cc1ccccc1O ZINC000183291176 171358377 /nfs/dbraw/zinc/35/83/77/171358377.db2.gz SENZWUCEFBFQPV-NWDGAFQWSA-N 0 0 249.354 3.033 20 10 BGCDRN CC[C@@H](C)[C@H](C)C(=O)N(C)Cc1ccccc1O ZINC000183291194 385749296 /nfs/dbraw/zinc/74/92/96/385749296.db2.gz SENZWUCEFBFQPV-NEPJUHHUSA-N 0 0 249.354 3.033 20 10 BGCDRN CC[C@H](C)[C@H](C)C(=O)N(C)Cc1ccccc1O ZINC000183291214 171383618 /nfs/dbraw/zinc/38/36/18/171383618.db2.gz SENZWUCEFBFQPV-RYUDHWBXSA-N 0 0 249.354 3.033 20 10 BGCDRN Cc1ccnc(N[C@@H](C)c2ccccc2O)c1 ZINC000183646757 643151817 /nfs/dbraw/zinc/15/18/17/643151817.db2.gz QBDCUPNSJPFNTE-NSHDSACASA-N 0 0 228.295 3.269 20 10 BGCDRN Cc1ccnc(N[C@H](C)c2ccccc2O)c1 ZINC000183646775 643152446 /nfs/dbraw/zinc/15/24/46/643152446.db2.gz QBDCUPNSJPFNTE-LLVKDONJSA-N 0 0 228.295 3.269 20 10 BGCDRN CCCn1cc(N[C@@H](C)c2ccccc2O)cn1 ZINC000183664351 643155098 /nfs/dbraw/zinc/15/50/98/643155098.db2.gz XUPYIGNYOODMJN-NSHDSACASA-N 0 0 245.326 3.172 20 10 BGCDRN CCCn1cc(N[C@H](C)c2ccccc2O)cn1 ZINC000183664366 643154642 /nfs/dbraw/zinc/15/46/42/643154642.db2.gz XUPYIGNYOODMJN-LLVKDONJSA-N 0 0 245.326 3.172 20 10 BGCDRN CCN(Cc1cc(C)c(C)cc1O)CC(F)F ZINC000184086737 384563348 /nfs/dbraw/zinc/56/33/48/384563348.db2.gz AXQRUOWYLQGHBT-UHFFFAOYSA-N 0 0 243.297 3.096 20 10 BGCDRN Oc1ccccc1CN1CCc2c1cccc2F ZINC000184426471 643211434 /nfs/dbraw/zinc/21/14/34/643211434.db2.gz MECWIHIEEIARDF-UHFFFAOYSA-N 0 0 243.281 3.094 20 10 BGCDRN CC(C)C[C@@H](C)C(=O)N(C)Cc1ccccc1O ZINC000184859888 187484552 /nfs/dbraw/zinc/48/45/52/187484552.db2.gz ZJGUCFORXHHDCU-GFCCVEGCSA-N 0 0 249.354 3.033 20 10 BGCDRN CC(C)C[C@H](C)C(=O)N(C)Cc1ccccc1O ZINC000184859903 188170106 /nfs/dbraw/zinc/17/01/06/188170106.db2.gz ZJGUCFORXHHDCU-LBPRGKRZSA-N 0 0 249.354 3.033 20 10 BGCDRN CSCCOc1ccc(N2CCCC2)cc1 ZINC000185795768 643388277 /nfs/dbraw/zinc/38/82/77/643388277.db2.gz PMSCUDQJZTYHDO-UHFFFAOYSA-N 0 0 237.368 3.029 20 10 BGCDRN Cc1cnc(NCc2cc(C)c(C)cc2O)s1 ZINC000185852857 179637234 /nfs/dbraw/zinc/63/72/34/179637234.db2.gz UYSNKJWFZGACDF-UHFFFAOYSA-N 0 0 248.351 3.386 20 10 BGCDRN CCc1cnc(NCc2cc(C)ccc2O)s1 ZINC000185965951 347220614 /nfs/dbraw/zinc/22/06/14/347220614.db2.gz VPTWLBAIJCOYAZ-UHFFFAOYSA-N 0 0 248.351 3.332 20 10 BGCDRN CCC1(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000186093885 643440513 /nfs/dbraw/zinc/44/05/13/643440513.db2.gz KIAJQMCGFGCGLV-JTQLQIEISA-N 0 0 237.318 3.372 20 10 BGCDRN CCC1(C[NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000186093900 634068336 /nfs/dbraw/zinc/06/83/36/634068336.db2.gz KIAJQMCGFGCGLV-SNVBAGLBSA-N 0 0 237.318 3.372 20 10 BGCDRN C[C@H]([NH2+]CC1(C)CCC1)c1ccc(F)cc1[O-] ZINC000186094164 643439955 /nfs/dbraw/zinc/43/99/55/643439955.db2.gz UNCSYXGRMPPTNE-JTQLQIEISA-N 0 0 237.318 3.372 20 10 BGCDRN C[C@@H]([NH2+]CC1(C)CCC1)c1ccc(F)cc1[O-] ZINC000186094183 643439555 /nfs/dbraw/zinc/43/95/55/643439555.db2.gz UNCSYXGRMPPTNE-SNVBAGLBSA-N 0 0 237.318 3.372 20 10 BGCDRN C[C@H]([NH2+]CC1(C2CC2)CC1)c1ccc(F)cc1[O-] ZINC000186161845 384825745 /nfs/dbraw/zinc/82/57/45/384825745.db2.gz OIKTXTCFYJFXRY-JTQLQIEISA-N 0 0 249.329 3.372 20 10 BGCDRN C[C@@H]([NH2+]CC1(C2CC2)CC1)c1ccc(F)cc1[O-] ZINC000186161861 384826710 /nfs/dbraw/zinc/82/67/10/384826710.db2.gz OIKTXTCFYJFXRY-SNVBAGLBSA-N 0 0 249.329 3.372 20 10 BGCDRN Cc1ccnc(N[C@@H](C)c2ccc(F)cc2O)c1 ZINC000186242739 643670138 /nfs/dbraw/zinc/67/01/38/643670138.db2.gz JLVHYIOEFIURPF-JTQLQIEISA-N 0 0 246.285 3.408 20 10 BGCDRN Cc1ccnc(N[C@H](C)c2ccc(F)cc2O)c1 ZINC000186242756 643670650 /nfs/dbraw/zinc/67/06/50/643670650.db2.gz JLVHYIOEFIURPF-SNVBAGLBSA-N 0 0 246.285 3.408 20 10 BGCDRN Cc1ccnc(N[C@@H](C)c2cc(F)ccc2O)c1 ZINC000186243016 643670382 /nfs/dbraw/zinc/67/03/82/643670382.db2.gz CHVTWASXKDCKKM-JTQLQIEISA-N 0 0 246.285 3.408 20 10 BGCDRN Cc1ccnc(N[C@H](C)c2cc(F)ccc2O)c1 ZINC000186243032 643670071 /nfs/dbraw/zinc/67/00/71/643670071.db2.gz CHVTWASXKDCKKM-SNVBAGLBSA-N 0 0 246.285 3.408 20 10 BGCDRN Cc1cc(O)c(CNc2ncccc2F)cc1C ZINC000186425111 634072565 /nfs/dbraw/zinc/07/25/65/634072565.db2.gz NALDHDDPUGCFIZ-UHFFFAOYSA-N 0 0 246.285 3.155 20 10 BGCDRN Cc1cc(O)c(CNc2ccncc2F)cc1C ZINC000186426505 634073590 /nfs/dbraw/zinc/07/35/90/634073590.db2.gz PGMVNCXHLDPHEG-UHFFFAOYSA-N 0 0 246.285 3.155 20 10 BGCDRN Cc1ccc(O)c(C[N@@H+]2CCCC3(CC3)C2)c1 ZINC000186626441 384862154 /nfs/dbraw/zinc/86/21/54/384862154.db2.gz VYTVQHISNBPPBQ-UHFFFAOYSA-N 0 0 231.339 3.077 20 10 BGCDRN c1csc(SCCC[NH+]2CCCCC2)n1 ZINC000187682014 384971905 /nfs/dbraw/zinc/97/19/05/384971905.db2.gz HJQFUXVIEAFBLT-UHFFFAOYSA-N 0 0 242.413 3.111 20 10 BGCDRN CC1(C)CC[C@H](CSc2nccs2)O1 ZINC000187682088 187824084 /nfs/dbraw/zinc/82/40/84/187824084.db2.gz YFPLJEMIHFUHMA-MRVPVSSYSA-N 0 0 229.370 3.193 20 10 BGCDRN CC1(C)CC[C@@H](CSc2nccs2)O1 ZINC000187682110 347261955 /nfs/dbraw/zinc/26/19/55/347261955.db2.gz YFPLJEMIHFUHMA-QMMMGPOBSA-N 0 0 229.370 3.193 20 10 BGCDRN CC(C)(C)c1cnc(S[C@@H]2CCOC2)s1 ZINC000188325308 397882056 /nfs/dbraw/zinc/88/20/56/397882056.db2.gz QHMQSFQDSKCKJR-MRVPVSSYSA-N 0 0 243.397 3.322 20 10 BGCDRN CC(C)(C)c1cnc(S[C@H]2CCOC2)s1 ZINC000188325331 397882153 /nfs/dbraw/zinc/88/21/53/397882153.db2.gz QHMQSFQDSKCKJR-QMMMGPOBSA-N 0 0 243.397 3.322 20 10 BGCDRN CC(C)=CC[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000188445063 188349117 /nfs/dbraw/zinc/34/91/17/188349117.db2.gz MVCKDFNZEHLQLO-VIFPVBQESA-N 0 0 241.281 3.287 20 10 BGCDRN CC(C)=CC[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000188445090 397883469 /nfs/dbraw/zinc/88/34/69/397883469.db2.gz MVCKDFNZEHLQLO-SECBINFHSA-N 0 0 241.281 3.287 20 10 BGCDRN CC(C)=CC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000188449695 188348681 /nfs/dbraw/zinc/34/86/81/188348681.db2.gz LSENGOIHJWNZLB-JTQLQIEISA-N 0 0 223.291 3.148 20 10 BGCDRN CC(C)=CC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000188449718 385052703 /nfs/dbraw/zinc/05/27/03/385052703.db2.gz LSENGOIHJWNZLB-SNVBAGLBSA-N 0 0 223.291 3.148 20 10 BGCDRN O=[N+]([O-])c1cnc(Sc2cccs2)s1 ZINC000190317654 641857951 /nfs/dbraw/zinc/85/79/51/641857951.db2.gz IQFOGSOMMHMIBG-UHFFFAOYSA-N 0 0 244.322 3.264 20 10 BGCDRN CCCC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000190670936 641880466 /nfs/dbraw/zinc/88/04/66/641880466.db2.gz LGTTZOUFNAMSTL-UHFFFAOYSA-N 0 0 231.698 3.074 20 10 BGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C1CCCC1 ZINC000190671600 711711428 /nfs/dbraw/zinc/71/14/28/711711428.db2.gz FJIKRRYTAXPUQT-UHFFFAOYSA-N 0 0 243.709 3.217 20 10 BGCDRN CCC(CC)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000190671773 634411652 /nfs/dbraw/zinc/41/16/52/634411652.db2.gz LDQPNQJBDMASHJ-UHFFFAOYSA-N 0 0 245.725 3.463 20 10 BGCDRN CC[C@@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000190673950 641879613 /nfs/dbraw/zinc/87/96/13/641879613.db2.gz VPTRYHKLBVETGL-SSDOTTSWSA-N 0 0 231.698 3.073 20 10 BGCDRN CC[C@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000190673969 641880167 /nfs/dbraw/zinc/88/01/67/641880167.db2.gz VPTRYHKLBVETGL-ZETCQYMHSA-N 0 0 231.698 3.073 20 10 BGCDRN C[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)C1CC1 ZINC000190697305 641882006 /nfs/dbraw/zinc/88/20/06/641882006.db2.gz VNFYBICQLBPOPQ-ZETCQYMHSA-N 0 0 243.709 3.073 20 10 BGCDRN C[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)C1CC1 ZINC000190697322 641880865 /nfs/dbraw/zinc/88/08/65/641880865.db2.gz VNFYBICQLBPOPQ-SSDOTTSWSA-N 0 0 243.709 3.073 20 10 BGCDRN CC(C)(C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000190737085 641884094 /nfs/dbraw/zinc/88/40/94/641884094.db2.gz LYGIHTJTBLKJKI-UHFFFAOYSA-N 0 0 231.698 3.073 20 10 BGCDRN CC(C)(C)C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000190861771 641891727 /nfs/dbraw/zinc/89/17/27/641891727.db2.gz UKRXFYZBDILECY-UHFFFAOYSA-N 0 0 245.725 3.320 20 10 BGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CC1CCC1 ZINC000190881635 641893910 /nfs/dbraw/zinc/89/39/10/641893910.db2.gz PZAXYVAGISVUTR-UHFFFAOYSA-N 0 0 243.709 3.074 20 10 BGCDRN CCC(C)(C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000190915022 635710800 /nfs/dbraw/zinc/71/08/00/635710800.db2.gz YHHXDORHVAKQMR-UHFFFAOYSA-N 0 0 245.725 3.463 20 10 BGCDRN CCCC[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000191180483 355337762 /nfs/dbraw/zinc/33/77/62/355337762.db2.gz KPAMUZREIOCONT-QMMMGPOBSA-N 0 0 229.270 3.121 20 10 BGCDRN CCCC[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000191180499 385289222 /nfs/dbraw/zinc/28/92/22/385289222.db2.gz KPAMUZREIOCONT-MRVPVSSYSA-N 0 0 229.270 3.121 20 10 BGCDRN C[C@H]([NH2+]C1CCCC1)c1ccc(F)c(F)c1[O-] ZINC000191180781 176829734 /nfs/dbraw/zinc/82/97/34/176829734.db2.gz ZNEARLDDOSRHTB-QMMMGPOBSA-N 0 0 241.281 3.264 20 10 BGCDRN C[C@@H]([NH2+]C1CCCC1)c1ccc(F)c(F)c1[O-] ZINC000191180801 385290425 /nfs/dbraw/zinc/29/04/25/385290425.db2.gz ZNEARLDDOSRHTB-MRVPVSSYSA-N 0 0 241.281 3.264 20 10 BGCDRN CC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000191181829 355341296 /nfs/dbraw/zinc/34/12/96/355341296.db2.gz KRQVELDTRLWWCJ-SFYZADRCSA-N 0 0 229.270 3.120 20 10 BGCDRN CC[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000191181842 355341071 /nfs/dbraw/zinc/34/10/71/355341071.db2.gz KRQVELDTRLWWCJ-YUMQZZPRSA-N 0 0 229.270 3.120 20 10 BGCDRN CC[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000191181854 386772100 /nfs/dbraw/zinc/77/21/00/386772100.db2.gz KRQVELDTRLWWCJ-HTQZYQBOSA-N 0 0 229.270 3.120 20 10 BGCDRN CC[C@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000191181873 355341532 /nfs/dbraw/zinc/34/15/32/355341532.db2.gz KRQVELDTRLWWCJ-JGVFFNPUSA-N 0 0 229.270 3.120 20 10 BGCDRN CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000191186731 167383666 /nfs/dbraw/zinc/38/36/66/167383666.db2.gz WYDRQIBYFCEXNL-BDAKNGLRSA-N 0 0 243.297 3.366 20 10 BGCDRN CC(C)[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000191186748 188003838 /nfs/dbraw/zinc/00/38/38/188003838.db2.gz WYDRQIBYFCEXNL-IUCAKERBSA-N 0 0 243.297 3.366 20 10 BGCDRN CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000191186763 167385762 /nfs/dbraw/zinc/38/57/62/167385762.db2.gz WYDRQIBYFCEXNL-RKDXNWHRSA-N 0 0 243.297 3.366 20 10 BGCDRN CC(C)[C@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000191186779 385290904 /nfs/dbraw/zinc/29/09/04/385290904.db2.gz WYDRQIBYFCEXNL-DTWKUNHWSA-N 0 0 243.297 3.366 20 10 BGCDRN C[C@H]([NH2+][C@@H](C)C1CC1)c1ccc(F)c(F)c1[O-] ZINC000191187254 385288627 /nfs/dbraw/zinc/28/86/27/385288627.db2.gz CWVUBDCVXODDIN-YUMQZZPRSA-N 0 0 241.281 3.120 20 10 BGCDRN C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc(F)c(F)c1[O-] ZINC000191187272 385290913 /nfs/dbraw/zinc/29/09/13/385290913.db2.gz CWVUBDCVXODDIN-JGVFFNPUSA-N 0 0 241.281 3.120 20 10 BGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])C1CC1 ZINC000191187287 385290171 /nfs/dbraw/zinc/29/01/71/385290171.db2.gz CWVUBDCVXODDIN-SFYZADRCSA-N 0 0 241.281 3.120 20 10 BGCDRN C[C@@H]([NH2+][C@H](C)C1CC1)c1ccc(F)c(F)c1[O-] ZINC000191187302 385288450 /nfs/dbraw/zinc/28/84/50/385288450.db2.gz CWVUBDCVXODDIN-HTQZYQBOSA-N 0 0 241.281 3.120 20 10 BGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCC1CC1 ZINC000191225137 636789047 /nfs/dbraw/zinc/78/90/47/636789047.db2.gz NZRVYMGYRPCLMR-UHFFFAOYSA-N 0 0 243.709 3.074 20 10 BGCDRN CC1([NH2+]Cc2c([O-])ccc(Cl)c2F)CCC1 ZINC000191482539 641922279 /nfs/dbraw/zinc/92/22/79/641922279.db2.gz WYINMIUQIQZIKD-UHFFFAOYSA-N 0 0 243.709 3.217 20 10 BGCDRN CC(C)Oc1ccc(N(C)Cc2ccon2)cc1 ZINC000191581106 167295874 /nfs/dbraw/zinc/29/58/74/167295874.db2.gz BLNWUICNCYKFKP-UHFFFAOYSA-N 0 0 246.310 3.098 20 10 BGCDRN CC(C)Oc1ccc(N(C)CCCF)cc1 ZINC000191581691 634216990 /nfs/dbraw/zinc/21/69/90/634216990.db2.gz QSQIDXWYKHOWSP-UHFFFAOYSA-N 0 0 225.307 3.270 20 10 BGCDRN CSCCN(C)c1ccc(OC(C)C)cc1 ZINC000191583143 641930746 /nfs/dbraw/zinc/93/07/46/641930746.db2.gz DDZUBIMNBZPBMS-UHFFFAOYSA-N 0 0 239.384 3.273 20 10 BGCDRN CC(C)=CC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000191615055 187229101 /nfs/dbraw/zinc/22/91/01/187229101.db2.gz CRGKDILERIDLNA-UHFFFAOYSA-N 0 0 225.719 3.101 20 10 BGCDRN CC(C)=CC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000191625391 641934631 /nfs/dbraw/zinc/93/46/31/641934631.db2.gz FOMMWTMGGTXJHG-UHFFFAOYSA-N 0 0 243.709 3.241 20 10 BGCDRN CC(C)CCSc1ncc([N+](=O)[O-])s1 ZINC000192470197 636225928 /nfs/dbraw/zinc/22/59/28/636225928.db2.gz YPKVWDCCQKLIDX-UHFFFAOYSA-N 0 0 232.330 3.190 20 10 BGCDRN CC(C)[C@@H](C)Sc1ncc([N+](=O)[O-])s1 ZINC000192471530 644154666 /nfs/dbraw/zinc/15/46/66/644154666.db2.gz STTHHPDFYDBIDJ-ZCFIWIBFSA-N 0 0 232.330 3.188 20 10 BGCDRN CC(C)[C@H](C)Sc1ncc([N+](=O)[O-])s1 ZINC000192471539 644154342 /nfs/dbraw/zinc/15/43/42/644154342.db2.gz STTHHPDFYDBIDJ-LURJTMIESA-N 0 0 232.330 3.188 20 10 BGCDRN CC[C@@H](C)CSc1ncc([N+](=O)[O-])s1 ZINC000192484639 634235095 /nfs/dbraw/zinc/23/50/95/634235095.db2.gz VQBFSVYATDVMIF-ZCFIWIBFSA-N 0 0 232.330 3.190 20 10 BGCDRN CC[C@H](C)CSc1ncc([N+](=O)[O-])s1 ZINC000192484651 644156355 /nfs/dbraw/zinc/15/63/55/644156355.db2.gz VQBFSVYATDVMIF-LURJTMIESA-N 0 0 232.330 3.190 20 10 BGCDRN CCCCCSc1ncc([N+](=O)[O-])s1 ZINC000192520716 634238679 /nfs/dbraw/zinc/23/86/79/634238679.db2.gz JZXFENRLVQTVKW-UHFFFAOYSA-N 0 0 232.330 3.334 20 10 BGCDRN CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192613577 170141419 /nfs/dbraw/zinc/14/14/19/170141419.db2.gz XEQSJADKFZGICK-LURJTMIESA-N 0 0 234.126 3.370 20 10 BGCDRN CC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192613593 170159551 /nfs/dbraw/zinc/15/95/51/170159551.db2.gz XEQSJADKFZGICK-ZCFIWIBFSA-N 0 0 234.126 3.370 20 10 BGCDRN CCN1CCCc2cc(OC(F)F)ccc21 ZINC000193989251 634301712 /nfs/dbraw/zinc/30/17/12/634301712.db2.gz JGTRZCGFCYRAEB-UHFFFAOYSA-N 0 0 227.254 3.061 20 10 BGCDRN CC(C)(C)OCCSc1nccs1 ZINC000194662937 644337040 /nfs/dbraw/zinc/33/70/40/644337040.db2.gz SWUSHJLGYVNCPS-UHFFFAOYSA-N 0 0 217.359 3.050 20 10 BGCDRN O=[N+]([O-])c1cnc(SC2CCCCC2)s1 ZINC000195505279 634363731 /nfs/dbraw/zinc/36/37/31/634363731.db2.gz YAMOULKVQOSYNN-UHFFFAOYSA-N 0 0 244.341 3.476 20 10 BGCDRN O=[N+]([O-])c1cnc(SC2CCCC2)s1 ZINC000195505307 385471049 /nfs/dbraw/zinc/47/10/49/385471049.db2.gz PMDCTEHMSLMKQO-UHFFFAOYSA-N 0 0 230.314 3.086 20 10 BGCDRN CCC(CC)Sc1ncc([N+](=O)[O-])s1 ZINC000195512252 168396760 /nfs/dbraw/zinc/39/67/60/168396760.db2.gz DCOPAPIRAVDJBI-UHFFFAOYSA-N 0 0 232.330 3.332 20 10 BGCDRN CN(C)c1ccc(CN(C)c2ccccc2)cc1 ZINC000195662005 644398420 /nfs/dbraw/zinc/39/84/20/644398420.db2.gz HAORWZIVPCLYLE-UHFFFAOYSA-N 0 0 240.350 3.389 20 10 BGCDRN COc1ccc2c(c1)CCCN2CC=C(C)C ZINC000196512039 644415985 /nfs/dbraw/zinc/41/59/85/644415985.db2.gz PDSOIQXKWGALHR-UHFFFAOYSA-N 0 0 231.339 3.414 20 10 BGCDRN CCCCN1CCCc2cc(OC)ccc21 ZINC000196812631 634388150 /nfs/dbraw/zinc/38/81/50/634388150.db2.gz KRHRMZAGJCKZNA-UHFFFAOYSA-N 0 0 219.328 3.248 20 10 BGCDRN COc1ccccc1Sc1nccs1 ZINC000198834563 711713031 /nfs/dbraw/zinc/71/30/31/711713031.db2.gz HVRUVWXGMFVZOZ-UHFFFAOYSA-N 0 0 223.322 3.303 20 10 BGCDRN C[Si](C)(C)CSc1nccs1 ZINC000199524132 644480520 /nfs/dbraw/zinc/48/05/20/644480520.db2.gz UTHPNTLHEZOKRF-UHFFFAOYSA-N 0 0 203.408 3.113 20 10 BGCDRN CCCCOc1ccc(N2CCCC2)cc1 ZINC000204586777 589348627 /nfs/dbraw/zinc/34/86/27/589348627.db2.gz DVJBZCVPNGFNFL-UHFFFAOYSA-N 0 0 219.328 3.466 20 10 BGCDRN CCC[N@H+](CC)Cc1cccc(OCC)c1O ZINC000211545924 169129591 /nfs/dbraw/zinc/12/95/91/169129591.db2.gz JVQOPKXMASFKKL-UHFFFAOYSA-N 0 0 237.343 3.023 20 10 BGCDRN CCC1(CC)CC[N@H+](Cc2ccccc2O)C1 ZINC000211652616 591228807 /nfs/dbraw/zinc/22/88/07/591228807.db2.gz MWRDWHCEGXXCOU-UHFFFAOYSA-N 0 0 233.355 3.404 20 10 BGCDRN CCCC(CCC)C(=O)Nc1ccc(N)cc1 ZINC000211745268 591259479 /nfs/dbraw/zinc/25/94/79/591259479.db2.gz IKGHHTHEXISGPA-UHFFFAOYSA-N 0 0 234.343 3.424 20 10 BGCDRN CCCC(CCC)C(=O)NCc1ccc(N)cc1 ZINC000211854847 385698774 /nfs/dbraw/zinc/69/87/74/385698774.db2.gz PINFZCHPBUOABZ-UHFFFAOYSA-N 0 0 248.370 3.101 20 10 BGCDRN CCCC(CCC)C(=O)N(C)c1ccc(N)cc1 ZINC000211901438 591274960 /nfs/dbraw/zinc/27/49/60/591274960.db2.gz IVDBNLBYYFWYQQ-UHFFFAOYSA-N 0 0 248.370 3.448 20 10 BGCDRN COc1ccc(N(C)Cc2cccc(C)n2)cc1 ZINC000221872299 592454825 /nfs/dbraw/zinc/45/48/25/592454825.db2.gz UFCCQJRKACETPU-UHFFFAOYSA-N 0 0 242.322 3.035 20 10 BGCDRN Oc1ccccc1CNc1nccc2occc21 ZINC000223229418 635364614 /nfs/dbraw/zinc/36/46/14/635364614.db2.gz BVGQXXKLXYSBMA-UHFFFAOYSA-N 0 0 240.262 3.146 20 10 BGCDRN Cc1cnc([C@@H](C)N[C@@H](C)c2ccccc2O)o1 ZINC000223661104 583180534 /nfs/dbraw/zinc/18/05/34/583180534.db2.gz VOEBKVILRJZURS-WDEREUQCSA-N 0 0 246.310 3.100 20 10 BGCDRN Cc1cnc([C@H](C)N[C@@H](C)c2ccccc2O)o1 ZINC000223661161 583180524 /nfs/dbraw/zinc/18/05/24/583180524.db2.gz VOEBKVILRJZURS-QWRGUYRKSA-N 0 0 246.310 3.100 20 10 BGCDRN Cc1cnc([C@@H](C)N[C@H](C)c2ccccc2O)o1 ZINC000223661221 583180542 /nfs/dbraw/zinc/18/05/42/583180542.db2.gz VOEBKVILRJZURS-GHMZBOCLSA-N 0 0 246.310 3.100 20 10 BGCDRN Cc1cnc([C@H](C)N[C@H](C)c2ccccc2O)o1 ZINC000223661276 583180504 /nfs/dbraw/zinc/18/05/04/583180504.db2.gz VOEBKVILRJZURS-MNOVXSKESA-N 0 0 246.310 3.100 20 10 BGCDRN CC1(C)C[C@@H]1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000224807468 640642814 /nfs/dbraw/zinc/64/28/14/640642814.db2.gz PKBOSUDGURLBAY-SNVBAGLBSA-N 0 0 239.746 3.181 20 10 BGCDRN CC1(C)C[C@H]1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000224807519 640643491 /nfs/dbraw/zinc/64/34/91/640643491.db2.gz PKBOSUDGURLBAY-JTQLQIEISA-N 0 0 239.746 3.181 20 10 BGCDRN CC(C)([NH2+]Cc1cccc(Cl)c1[O-])C1CC1 ZINC000224826175 635396037 /nfs/dbraw/zinc/39/60/37/635396037.db2.gz IIEVKECPOMGNFU-UHFFFAOYSA-N 0 0 239.746 3.324 20 10 BGCDRN Cc1cncc(NCc2cccc(C)c2O)c1 ZINC000224916888 632096337 /nfs/dbraw/zinc/09/63/37/632096337.db2.gz XHIMKNNRHSKVDO-UHFFFAOYSA-N 0 0 228.295 3.016 20 10 BGCDRN Cc1cncc(NCc2cccc(Cl)c2O)c1 ZINC000224917274 640648311 /nfs/dbraw/zinc/64/83/11/640648311.db2.gz AGHLEMUHSWJBAV-UHFFFAOYSA-N 0 0 248.713 3.361 20 10 BGCDRN CC(C)C[C@@H](C)CNc1ccc(N)cc1 ZINC000225219497 635401218 /nfs/dbraw/zinc/40/12/18/635401218.db2.gz IZWJZXGUSODSHV-LLVKDONJSA-N 0 0 206.333 3.363 20 10 BGCDRN CC(C)C[C@H](C)CNc1ccc(N)cc1 ZINC000225219535 635402090 /nfs/dbraw/zinc/40/20/90/635402090.db2.gz IZWJZXGUSODSHV-NSHDSACASA-N 0 0 206.333 3.363 20 10 BGCDRN CC(C)[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000226576671 635438210 /nfs/dbraw/zinc/43/82/10/635438210.db2.gz XGLPXNGLDOHQKK-NSHDSACASA-N 0 0 237.318 3.009 20 10 BGCDRN Cc1ccc(NCc2cc(F)ccc2O)c(C)n1 ZINC000226617360 640780103 /nfs/dbraw/zinc/78/01/03/640780103.db2.gz QHQXZGKEIFNMOO-UHFFFAOYSA-N 0 0 246.285 3.155 20 10 BGCDRN Oc1ccc(F)cc1CN1CCc2ccccc21 ZINC000227515214 640837715 /nfs/dbraw/zinc/83/77/15/640837715.db2.gz XXOYBZGSCHUPRS-UHFFFAOYSA-N 0 0 243.281 3.094 20 10 BGCDRN Cc1ccc(N(C)Cc2cc(F)ccc2O)cc1 ZINC000227515846 640838011 /nfs/dbraw/zinc/83/80/11/640838011.db2.gz LUUSTQCETLHZJD-UHFFFAOYSA-N 0 0 245.297 3.476 20 10 BGCDRN Cc1cncc(NCc2ccc(N(C)C)cc2)c1 ZINC000227603126 386494824 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C[C@@H]([NH2+]C[C@@H]1CC1(C)C)c1ccc(F)cc1[O-] ZINC000230667009 641078549 /nfs/dbraw/zinc/07/85/49/641078549.db2.gz MOUPINBFXQVTFU-ZJUUUORDSA-N 0 0 237.318 3.228 20 10 BGCDRN C[C@H]([NH2+]C[C@@H]1CC1(C)C)c1ccc(F)cc1[O-] ZINC000230667014 641078232 /nfs/dbraw/zinc/07/82/32/641078232.db2.gz MOUPINBFXQVTFU-UWVGGRQHSA-N 0 0 237.318 3.228 20 10 BGCDRN C[C@@H]([NH2+]C[C@H]1CC1(C)C)c1ccc(F)cc1[O-] ZINC000230667016 641077823 /nfs/dbraw/zinc/07/78/23/641077823.db2.gz MOUPINBFXQVTFU-NXEZZACHSA-N 0 0 237.318 3.228 20 10 BGCDRN C[C@H]([NH2+]C[C@H]1CC1(C)C)c1ccc(F)cc1[O-] ZINC000230667020 641077539 /nfs/dbraw/zinc/07/75/39/641077539.db2.gz MOUPINBFXQVTFU-VHSXEESVSA-N 0 0 237.318 3.228 20 10 BGCDRN Cc1cccc(N(C)Cc2cc(F)ccc2O)c1 ZINC000230935719 635495010 /nfs/dbraw/zinc/49/50/10/635495010.db2.gz YPYCQXSLTPSXMM-UHFFFAOYSA-N 0 0 245.297 3.476 20 10 BGCDRN COc1ccccc1NC[C@@H](O)CC1CCCC1 ZINC000232127009 635511586 /nfs/dbraw/zinc/51/15/86/635511586.db2.gz JAASCBAIFUSDAA-ZDUSSCGKSA-N 0 0 249.354 3.048 20 10 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BGCDRN CC(C)C(C)(C)C(=O)N(C)Cc1ccccc1O ZINC000275968584 386255508 /nfs/dbraw/zinc/25/55/08/386255508.db2.gz IJADGTOZGWMGOX-UHFFFAOYSA-N 0 0 249.354 3.033 20 10 BGCDRN COC1(CSc2nccs2)CCCC1 ZINC000276610328 174008097 /nfs/dbraw/zinc/00/80/97/174008097.db2.gz SUNOQQSIFZKUIP-UHFFFAOYSA-N 0 0 229.370 3.194 20 10 BGCDRN C[C@@H]([NH2+][C@@H]1CC1(C)C)c1ccc(F)c(F)c1[O-] ZINC000276925777 386392315 /nfs/dbraw/zinc/39/23/15/386392315.db2.gz NDXCCWUSXYZGSJ-GMSGAONNSA-N 0 0 241.281 3.120 20 10 BGCDRN C[C@H]([NH2+][C@@H]1CC1(C)C)c1ccc(F)c(F)c1[O-] ZINC000276925778 386391088 /nfs/dbraw/zinc/39/10/88/386391088.db2.gz NDXCCWUSXYZGSJ-OIBJUYFYSA-N 0 0 241.281 3.120 20 10 BGCDRN C[C@@H]([NH2+][C@H]1CC1(C)C)c1ccc(F)c(F)c1[O-] ZINC000276925779 386391411 /nfs/dbraw/zinc/39/14/11/386391411.db2.gz NDXCCWUSXYZGSJ-XCBNKYQSSA-N 0 0 241.281 3.120 20 10 BGCDRN C[C@H]([NH2+][C@H]1CC1(C)C)c1ccc(F)c(F)c1[O-] ZINC000276925780 386390985 /nfs/dbraw/zinc/39/09/85/386390985.db2.gz NDXCCWUSXYZGSJ-XVKPBYJWSA-N 0 0 241.281 3.120 20 10 BGCDRN CC(C)Oc1ccc(N(C)Cc2ccno2)cc1 ZINC000277027753 167296098 /nfs/dbraw/zinc/29/60/98/167296098.db2.gz AXOYPMXYZPMYIG-UHFFFAOYSA-N 0 0 246.310 3.098 20 10 BGCDRN COc1ccc(CN[C@H](C)C(F)(F)F)cc1C ZINC000277108157 175110753 /nfs/dbraw/zinc/11/07/53/175110753.db2.gz MEUAIZRRZCOIRY-SECBINFHSA-N 0 0 247.260 3.044 20 10 BGCDRN COc1ccc(CN[C@@H](C)C(F)(F)F)cc1C ZINC000277108161 175108145 /nfs/dbraw/zinc/10/81/45/175108145.db2.gz MEUAIZRRZCOIRY-VIFPVBQESA-N 0 0 247.260 3.044 20 10 BGCDRN CC(C)Oc1ccc(N(C)Cc2cocn2)cc1 ZINC000277597135 167295971 /nfs/dbraw/zinc/29/59/71/167295971.db2.gz VJAMUAOXACXQBU-UHFFFAOYSA-N 0 0 246.310 3.098 20 10 BGCDRN Cc1nc(COc2ccc(N(C)C)cc2)cs1 ZINC000277753509 398033653 /nfs/dbraw/zinc/03/36/53/398033653.db2.gz JNFQDDSLDUDMJU-UHFFFAOYSA-N 0 0 248.351 3.097 20 10 BGCDRN Cc1csc(COc2ccc(N(C)C)cc2)n1 ZINC000277764338 398033205 /nfs/dbraw/zinc/03/32/05/398033205.db2.gz KSKTWBKBHODRFL-UHFFFAOYSA-N 0 0 248.351 3.097 20 10 BGCDRN Cc1ncc(COc2ccc(N(C)C)cc2)s1 ZINC000277987449 180160204 /nfs/dbraw/zinc/16/02/04/180160204.db2.gz ZCVRURCDGJCKHG-UHFFFAOYSA-N 0 0 248.351 3.097 20 10 BGCDRN COCCSCCCSc1nccs1 ZINC000278729901 174375492 /nfs/dbraw/zinc/37/54/92/174375492.db2.gz NFOMOBPTOKKGLV-UHFFFAOYSA-N 0 0 249.426 3.005 20 10 BGCDRN c1csc(SCCCC2CCOCC2)n1 ZINC000279078490 386627236 /nfs/dbraw/zinc/62/72/36/386627236.db2.gz LLIWMUULFFCOHA-UHFFFAOYSA-N 0 0 243.397 3.442 20 10 BGCDRN CCC[C@](C)(CC)C(=O)NCc1ccccc1O ZINC000279736691 386732786 /nfs/dbraw/zinc/73/27/86/386732786.db2.gz DCYPLJOUJLJIOY-HNNXBMFYSA-N 0 0 249.354 3.225 20 10 BGCDRN CCC[C@@](C)(CC)C(=O)NCc1ccccc1O ZINC000279736694 386732861 /nfs/dbraw/zinc/73/28/61/386732861.db2.gz DCYPLJOUJLJIOY-OAHLLOKOSA-N 0 0 249.354 3.225 20 10 BGCDRN CC1(CC[NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000280484516 168020141 /nfs/dbraw/zinc/02/01/41/168020141.db2.gz DXZHIRIEVZYGBJ-UHFFFAOYSA-N 0 0 239.746 3.325 20 10 BGCDRN COCc1csc(-c2ccc(N(C)C)cc2)n1 ZINC000280693509 386838150 /nfs/dbraw/zinc/83/81/50/386838150.db2.gz FTXKDFZPKBUWJE-UHFFFAOYSA-N 0 0 248.351 3.023 20 10 BGCDRN CCOc1cccc(C[NH2+]CCC2(C)CC2)c1O ZINC000280740951 386840507 /nfs/dbraw/zinc/84/05/07/386840507.db2.gz ZRHPEIKPNRROII-UHFFFAOYSA-N 0 0 249.354 3.071 20 10 BGCDRN CC1=CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000281862772 168100378 /nfs/dbraw/zinc/10/03/78/168100378.db2.gz UBFVPLWFIPMEKG-UHFFFAOYSA-N 0 0 237.730 3.198 20 10 BGCDRN CC(C)SCCSc1nccs1 ZINC000282242330 167333104 /nfs/dbraw/zinc/33/31/04/167333104.db2.gz QDHFEFXWUSTEMF-UHFFFAOYSA-N 0 0 219.400 3.377 20 10 BGCDRN CCCCN(Cc1ccccc1O)C(=O)CCC ZINC000282531450 385768872 /nfs/dbraw/zinc/76/88/72/385768872.db2.gz QMPXEJGTXCOIPL-UHFFFAOYSA-N 0 0 249.354 3.321 20 10 BGCDRN CCCCN(Cc1ccccc1O)C(=O)C(C)C ZINC000282587858 385772578 /nfs/dbraw/zinc/77/25/78/385772578.db2.gz WSLXUYAWRCTAOE-UHFFFAOYSA-N 0 0 249.354 3.177 20 10 BGCDRN CCCC[C@@H](C)C(=O)N(C)Cc1ccccc1O ZINC000282637356 350674898 /nfs/dbraw/zinc/67/48/98/350674898.db2.gz ZCIZPIBECOEHFA-GFCCVEGCSA-N 0 0 249.354 3.177 20 10 BGCDRN CCCC[C@H](C)C(=O)N(C)Cc1ccccc1O ZINC000282637369 168979371 /nfs/dbraw/zinc/97/93/71/168979371.db2.gz ZCIZPIBECOEHFA-LBPRGKRZSA-N 0 0 249.354 3.177 20 10 BGCDRN FCCCCCSc1nccs1 ZINC000283766505 180923705 /nfs/dbraw/zinc/92/37/05/180923705.db2.gz BIYBZJIBQBXESC-UHFFFAOYSA-N 0 0 205.323 3.375 20 10 BGCDRN CC(C)(C)c1cnc(SCCCCO)s1 ZINC000284371416 187344114 /nfs/dbraw/zinc/34/41/14/187344114.db2.gz XNGILAUCWUQGRI-UHFFFAOYSA-N 0 0 245.413 3.305 20 10 BGCDRN CCOC1CC(CSc2nccs2)C1 ZINC000285345719 170325937 /nfs/dbraw/zinc/32/59/37/170325937.db2.gz ZFWFAIUFXHBGAT-UHFFFAOYSA-N 0 0 229.370 3.050 20 10 BGCDRN CC[C@@H]([NH2+]Cc1ccco1)c1ccc(F)cc1[O-] ZINC000285609110 352052632 /nfs/dbraw/zinc/05/26/32/352052632.db2.gz KDUUBGPHPBTVBX-CYBMUJFWSA-N 0 0 249.285 3.365 20 10 BGCDRN CC[C@H]([NH2+]Cc1ccco1)c1ccc(F)cc1[O-] ZINC000285609113 385949361 /nfs/dbraw/zinc/94/93/61/385949361.db2.gz KDUUBGPHPBTVBX-ZDUSSCGKSA-N 0 0 249.285 3.365 20 10 BGCDRN CC[C@@H](C)[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000285690158 387281815 /nfs/dbraw/zinc/28/18/15/387281815.db2.gz OJILXKBDAOONGG-BXKDBHETSA-N 0 0 225.307 3.371 20 10 BGCDRN CC[C@H](C)[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000285690160 171345835 /nfs/dbraw/zinc/34/58/35/171345835.db2.gz OJILXKBDAOONGG-CABZTGNLSA-N 0 0 225.307 3.371 20 10 BGCDRN CC[C@@H]([NH2+][C@@H](C)CC)c1ccc(F)cc1[O-] ZINC000285690161 171348186 /nfs/dbraw/zinc/34/81/86/171348186.db2.gz OJILXKBDAOONGG-JOYOIKCWSA-N 0 0 225.307 3.371 20 10 BGCDRN CC[C@@H](C)[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000285690163 398247800 /nfs/dbraw/zinc/24/78/00/398247800.db2.gz OJILXKBDAOONGG-SKDRFNHKSA-N 0 0 225.307 3.371 20 10 BGCDRN CC[C@@H]([NH2+][C@H](C)C1CC1)c1ccc(F)cc1[O-] ZINC000285698870 352056542 /nfs/dbraw/zinc/05/65/42/352056542.db2.gz OXNRGCADXUFHOX-NOZJJQNGSA-N 0 0 237.318 3.371 20 10 BGCDRN CC[C@H]([NH2+][C@H](C)C1CC1)c1ccc(F)cc1[O-] ZINC000285698874 385958399 /nfs/dbraw/zinc/95/83/99/385958399.db2.gz OXNRGCADXUFHOX-RNCFNFMXSA-N 0 0 237.318 3.371 20 10 BGCDRN CC[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc(F)cc1[O-] ZINC000285698878 352056423 /nfs/dbraw/zinc/05/64/23/352056423.db2.gz OXNRGCADXUFHOX-TVQRCGJNSA-N 0 0 237.318 3.371 20 10 BGCDRN CC[C@H]([NH2+][C@@H](C)C1CC1)c1ccc(F)cc1[O-] ZINC000285698882 385957137 /nfs/dbraw/zinc/95/71/37/385957137.db2.gz OXNRGCADXUFHOX-ZANVPECISA-N 0 0 237.318 3.371 20 10 BGCDRN CC[C@@H](C)CCC(=O)N(C)Cc1ccccc1O ZINC000285766852 170690148 /nfs/dbraw/zinc/69/01/48/170690148.db2.gz TVLWYTSLEJKPOW-GFCCVEGCSA-N 0 0 249.354 3.177 20 10 BGCDRN CC[C@H](C)CCC(=O)N(C)Cc1ccccc1O ZINC000285766854 171263948 /nfs/dbraw/zinc/26/39/48/171263948.db2.gz TVLWYTSLEJKPOW-LBPRGKRZSA-N 0 0 249.354 3.177 20 10 BGCDRN CC[C@@H]([NH2+]Cc1ccoc1)c1ccc(F)cc1[O-] ZINC000286265422 352083272 /nfs/dbraw/zinc/08/32/72/352083272.db2.gz VEDIILWWUWFEDD-CYBMUJFWSA-N 0 0 249.285 3.365 20 10 BGCDRN CC[C@H]([NH2+]Cc1ccoc1)c1ccc(F)cc1[O-] ZINC000286265423 386017240 /nfs/dbraw/zinc/01/72/40/386017240.db2.gz VEDIILWWUWFEDD-ZDUSSCGKSA-N 0 0 249.285 3.365 20 10 BGCDRN COc1ccc(N(C)CCCCF)cc1F ZINC000286530170 175136406 /nfs/dbraw/zinc/13/64/06/175136406.db2.gz SXLNDQGCZPLCFS-UHFFFAOYSA-N 0 0 229.270 3.020 20 10 BGCDRN CC(C)(C)CC(=O)CSc1nccs1 ZINC000286666962 386064276 /nfs/dbraw/zinc/06/42/76/386064276.db2.gz RTNXGZUQRAWSSX-UHFFFAOYSA-N 0 0 229.370 3.241 20 10 BGCDRN C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1ccc(F)cc1[O-] ZINC000286952696 175912915 /nfs/dbraw/zinc/91/29/15/175912915.db2.gz HLXOKGJNDUZPIK-NOZJJQNGSA-N 0 0 237.318 3.371 20 10 BGCDRN C[C@@H]([NH2+][C@H]1CCC1(C)C)c1ccc(F)cc1[O-] ZINC000286952697 387350009 /nfs/dbraw/zinc/35/00/09/387350009.db2.gz HLXOKGJNDUZPIK-RNCFNFMXSA-N 0 0 237.318 3.371 20 10 BGCDRN C[C@H]([NH2+][C@@H]1CCC1(C)C)c1ccc(F)cc1[O-] ZINC000286952701 387349507 /nfs/dbraw/zinc/34/95/07/387349507.db2.gz HLXOKGJNDUZPIK-TVQRCGJNSA-N 0 0 237.318 3.371 20 10 BGCDRN C[C@H]([NH2+][C@H]1CCC1(C)C)c1ccc(F)cc1[O-] ZINC000286952704 176918451 /nfs/dbraw/zinc/91/84/51/176918451.db2.gz HLXOKGJNDUZPIK-ZANVPECISA-N 0 0 237.318 3.371 20 10 BGCDRN CC[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000286995772 170143769 /nfs/dbraw/zinc/14/37/69/170143769.db2.gz PIVWIXLESJPZDR-JTQLQIEISA-N 0 0 213.708 3.106 20 10 BGCDRN CC[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000286995778 170161465 /nfs/dbraw/zinc/16/14/65/170161465.db2.gz PIVWIXLESJPZDR-SNVBAGLBSA-N 0 0 213.708 3.106 20 10 BGCDRN CC[C@@H]([NH2+]C1CC1)c1cccc(Cl)c1[O-] ZINC000287034823 387352641 /nfs/dbraw/zinc/35/26/41/387352641.db2.gz RTAHVCNHVPNXSM-LLVKDONJSA-N 0 0 225.719 3.249 20 10 BGCDRN CC[C@H]([NH2+]C1CC1)c1cccc(Cl)c1[O-] ZINC000287034829 171515727 /nfs/dbraw/zinc/51/57/27/171515727.db2.gz RTAHVCNHVPNXSM-NSHDSACASA-N 0 0 225.719 3.249 20 10 BGCDRN CC[C@H]([NH2+]CCF)c1cccc(Cl)c1[O-] ZINC000287219851 387384157 /nfs/dbraw/zinc/38/41/57/387384157.db2.gz XMWMUYUCMCSMHD-JTQLQIEISA-N 0 0 231.698 3.056 20 10 BGCDRN CC[C@@H]([NH2+]CCF)c1cccc(Cl)c1[O-] ZINC000287219854 387386347 /nfs/dbraw/zinc/38/63/47/387386347.db2.gz XMWMUYUCMCSMHD-SNVBAGLBSA-N 0 0 231.698 3.056 20 10 BGCDRN Cc1ccc(O)c([C@@H](C)N[C@@H](C)C(F)(F)F)c1 ZINC000287262406 178803382 /nfs/dbraw/zinc/80/33/82/178803382.db2.gz IMOIUZXLEZCYOG-BDAKNGLRSA-N 0 0 247.260 3.302 20 10 BGCDRN Cc1ccc(O)c([C@H](C)N[C@H](C)C(F)(F)F)c1 ZINC000287262410 387399804 /nfs/dbraw/zinc/39/98/04/387399804.db2.gz IMOIUZXLEZCYOG-DTWKUNHWSA-N 0 0 247.260 3.302 20 10 BGCDRN Cc1ccc(O)c([C@H](C)N[C@@H](C)C(F)(F)F)c1 ZINC000287262414 178805513 /nfs/dbraw/zinc/80/55/13/178805513.db2.gz IMOIUZXLEZCYOG-IUCAKERBSA-N 0 0 247.260 3.302 20 10 BGCDRN Cc1ccc(O)c([C@@H](C)N[C@H](C)C(F)(F)F)c1 ZINC000287262417 178804104 /nfs/dbraw/zinc/80/41/04/178804104.db2.gz IMOIUZXLEZCYOG-RKDXNWHRSA-N 0 0 247.260 3.302 20 10 BGCDRN CC[C@@H](N[C@H](C)C(F)(F)F)c1ccccc1O ZINC000287367549 359491722 /nfs/dbraw/zinc/49/17/22/359491722.db2.gz OMEYHIFRQHYAEB-PSASIEDQSA-N 0 0 247.260 3.384 20 10 BGCDRN CC[C@H](N[C@H](C)C(F)(F)F)c1ccccc1O ZINC000287367551 387420049 /nfs/dbraw/zinc/42/00/49/387420049.db2.gz OMEYHIFRQHYAEB-SCZZXKLOSA-N 0 0 247.260 3.384 20 10 BGCDRN CC[C@@H](N[C@@H](C)C(F)(F)F)c1ccccc1O ZINC000287367553 359491978 /nfs/dbraw/zinc/49/19/78/359491978.db2.gz OMEYHIFRQHYAEB-WCBMZHEXSA-N 0 0 247.260 3.384 20 10 BGCDRN CC[C@H](N[C@@H](C)C(F)(F)F)c1ccccc1O ZINC000287367554 387420944 /nfs/dbraw/zinc/42/09/44/387420944.db2.gz OMEYHIFRQHYAEB-WPRPVWTQSA-N 0 0 247.260 3.384 20 10 BGCDRN Cc1ccc([C@@H](C)N[C@@H](C)C(F)(F)F)c(O)c1 ZINC000287386020 387423801 /nfs/dbraw/zinc/42/38/01/387423801.db2.gz PUQVUIRWEUFMIU-BDAKNGLRSA-N 0 0 247.260 3.302 20 10 BGCDRN Cc1ccc([C@H](C)N[C@H](C)C(F)(F)F)c(O)c1 ZINC000287386024 387423193 /nfs/dbraw/zinc/42/31/93/387423193.db2.gz PUQVUIRWEUFMIU-DTWKUNHWSA-N 0 0 247.260 3.302 20 10 BGCDRN Cc1ccc([C@H](C)N[C@@H](C)C(F)(F)F)c(O)c1 ZINC000287386026 387423717 /nfs/dbraw/zinc/42/37/17/387423717.db2.gz PUQVUIRWEUFMIU-IUCAKERBSA-N 0 0 247.260 3.302 20 10 BGCDRN Cc1ccc([C@@H](C)N[C@H](C)C(F)(F)F)c(O)c1 ZINC000287386029 387423709 /nfs/dbraw/zinc/42/37/09/387423709.db2.gz PUQVUIRWEUFMIU-RKDXNWHRSA-N 0 0 247.260 3.302 20 10 BGCDRN CC[C@@H]([NH2+]CC1CC1)c1cccc(Cl)c1[O-] ZINC000287857759 387523875 /nfs/dbraw/zinc/52/38/75/387523875.db2.gz XEFIZQDWRUPQDS-GFCCVEGCSA-N 0 0 239.746 3.496 20 10 BGCDRN CC[C@H]([NH2+]CC1CC1)c1cccc(Cl)c1[O-] ZINC000287857762 387523846 /nfs/dbraw/zinc/52/38/46/387523846.db2.gz XEFIZQDWRUPQDS-LBPRGKRZSA-N 0 0 239.746 3.496 20 10 BGCDRN Cc1cc(O)c(CN[C@H](C)C(F)(F)F)cc1C ZINC000288496967 178196867 /nfs/dbraw/zinc/19/68/67/178196867.db2.gz RKPSRAWQFAMFPV-SECBINFHSA-N 0 0 247.260 3.049 20 10 BGCDRN Cc1cc(O)c(CN[C@@H](C)C(F)(F)F)cc1C ZINC000288496969 178197498 /nfs/dbraw/zinc/19/74/98/178197498.db2.gz RKPSRAWQFAMFPV-VIFPVBQESA-N 0 0 247.260 3.049 20 10 BGCDRN CCC(C)(C)C(=O)CSc1nccs1 ZINC000289371301 168260979 /nfs/dbraw/zinc/26/09/79/168260979.db2.gz OISZTDZGOSVHGS-UHFFFAOYSA-N 0 0 229.370 3.241 20 10 BGCDRN CC1(C)CC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000289378277 385185535 /nfs/dbraw/zinc/18/55/35/385185535.db2.gz BNKWBBSUBIQDSP-LLVKDONJSA-N 0 0 239.746 3.324 20 10 BGCDRN CC1(C)CC[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000289378279 346258609 /nfs/dbraw/zinc/25/86/09/346258609.db2.gz BNKWBBSUBIQDSP-NSHDSACASA-N 0 0 239.746 3.324 20 10 BGCDRN Cc1ncsc1CSc1nccs1 ZINC000289385453 180324261 /nfs/dbraw/zinc/32/42/61/180324261.db2.gz QDMSYWCGOZUTQM-UHFFFAOYSA-N 0 0 228.367 3.200 20 10 BGCDRN Cc1ncsc1COc1ccc(N(C)C)cc1 ZINC000289414150 180323205 /nfs/dbraw/zinc/32/32/05/180323205.db2.gz PSNOCMJPCJJSSP-UHFFFAOYSA-N 0 0 248.351 3.097 20 10 BGCDRN c1csc(SCOC2CCCC2)n1 ZINC000289581914 384757723 /nfs/dbraw/zinc/75/77/23/384757723.db2.gz IUXCYDHEFHMZEV-UHFFFAOYSA-N 0 0 215.343 3.152 20 10 BGCDRN CC(=O)C(=O)CSc1ccc(C(C)C)cc1 ZINC000289633616 187347127 /nfs/dbraw/zinc/34/71/27/187347127.db2.gz MQFMYAIZDPEGRZ-UHFFFAOYSA-N 0 0 236.336 3.060 20 10 BGCDRN Oc1ccccc1CNc1cc(C2CC2)ccn1 ZINC000289910001 183303680 /nfs/dbraw/zinc/30/36/80/183303680.db2.gz UQZQPZYSXRNYHD-UHFFFAOYSA-N 0 0 240.306 3.277 20 10 BGCDRN COCC1(CSc2nccs2)CCC1 ZINC000291449599 174106954 /nfs/dbraw/zinc/10/69/54/174106954.db2.gz FMCCMVUEEYTMOL-UHFFFAOYSA-N 0 0 229.370 3.052 20 10 BGCDRN c1csc(SCCC2CCOCC2)n1 ZINC000292537479 386686137 /nfs/dbraw/zinc/68/61/37/386686137.db2.gz ATEVZFVIEUILMT-UHFFFAOYSA-N 0 0 229.370 3.052 20 10 BGCDRN CC(C)c1nccn1Cc1ccc(N(C)C)cc1 ZINC000292716999 386715597 /nfs/dbraw/zinc/71/55/97/386715597.db2.gz RWGPGJMEYIVAFD-UHFFFAOYSA-N 0 0 243.354 3.121 20 10 BGCDRN COC1(CCSc2nccs2)CCC1 ZINC000292744489 386717346 /nfs/dbraw/zinc/71/73/46/386717346.db2.gz VBCAJSOQTYIAED-UHFFFAOYSA-N 0 0 229.370 3.194 20 10 BGCDRN C[C@@H]1C[C@@H](Sc2nccs2)C[C@H](C)O1 ZINC000292777926 177374775 /nfs/dbraw/zinc/37/47/75/177374775.db2.gz YCPRDAVPAIXTEG-AYMMMOKOSA-N 0 0 229.370 3.191 20 10 BGCDRN C[C@@H]1C[C@H](Sc2nccs2)C[C@H](C)O1 ZINC000292777937 177338721 /nfs/dbraw/zinc/33/87/21/177338721.db2.gz YCPRDAVPAIXTEG-BRPSZJMVSA-N 0 0 229.370 3.191 20 10 BGCDRN CC[C@H]1CC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000292859561 386740364 /nfs/dbraw/zinc/74/03/64/386740364.db2.gz VEOAOTGRQXZSDW-JTQLQIEISA-N 0 0 225.719 3.030 20 10 BGCDRN CC[C@@H]1CC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000292859569 171024838 /nfs/dbraw/zinc/02/48/38/171024838.db2.gz VEOAOTGRQXZSDW-SNVBAGLBSA-N 0 0 225.719 3.030 20 10 BGCDRN Oc1ccccc1CNc1cccc(C2CC2)n1 ZINC000293133400 183303296 /nfs/dbraw/zinc/30/32/96/183303296.db2.gz ZYHPUCQAUJKEHU-UHFFFAOYSA-N 0 0 240.306 3.277 20 10 BGCDRN CC1([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCC1 ZINC000293554302 168062351 /nfs/dbraw/zinc/06/23/51/168062351.db2.gz HIXTXFLCLXVTIS-UHFFFAOYSA-N 0 0 243.709 3.217 20 10 BGCDRN CC1CC([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293596857 168147206 /nfs/dbraw/zinc/14/72/06/168147206.db2.gz KTQQGERPUMQDFT-UHFFFAOYSA-N 0 0 243.709 3.073 20 10 BGCDRN CC(C)(C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293657244 398116717 /nfs/dbraw/zinc/11/67/17/398116717.db2.gz PGOFHRAJROCPEM-UHFFFAOYSA-N 0 0 231.698 3.073 20 10 BGCDRN CC(C)C1([NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000293769293 386877753 /nfs/dbraw/zinc/87/77/53/386877753.db2.gz RZJCMIFXCMBZNB-JTQLQIEISA-N 0 0 237.318 3.371 20 10 BGCDRN CC(C)C1([NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000293769296 386876083 /nfs/dbraw/zinc/87/60/83/386876083.db2.gz RZJCMIFXCMBZNB-SNVBAGLBSA-N 0 0 237.318 3.371 20 10 BGCDRN CC(C)C1([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000293775888 384047401 /nfs/dbraw/zinc/04/74/01/384047401.db2.gz YXAOJNXEZRSALJ-UHFFFAOYSA-N 0 0 239.746 3.324 20 10 BGCDRN COc1ccc(C[NH2+]CCC(C)(F)F)cc1C ZINC000294104033 188097273 /nfs/dbraw/zinc/09/72/73/188097273.db2.gz CGDPFQHLLXOGGN-UHFFFAOYSA-N 0 0 243.297 3.139 20 10 BGCDRN C[C@@H]([NH2+]CCC(C)(F)F)c1ccc(F)cc1[O-] ZINC000294165808 175871889 /nfs/dbraw/zinc/87/18/89/175871889.db2.gz IVPLXKGYZGJDTM-MRVPVSSYSA-N 0 0 247.260 3.227 20 10 BGCDRN C[C@H]([NH2+]CCC(C)(F)F)c1ccc(F)cc1[O-] ZINC000294165813 398340860 /nfs/dbraw/zinc/34/08/60/398340860.db2.gz IVPLXKGYZGJDTM-QMMMGPOBSA-N 0 0 247.260 3.227 20 10 BGCDRN CC(F)(F)CC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000294254548 388397994 /nfs/dbraw/zinc/39/79/94/388397994.db2.gz QIKSBUNKXWOFMW-UHFFFAOYSA-N 0 0 249.688 3.181 20 10 BGCDRN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C1CC1 ZINC000294293739 385833308 /nfs/dbraw/zinc/83/33/08/385833308.db2.gz PMPZUCKKQDWADD-SSDOTTSWSA-N 0 0 243.709 3.073 20 10 BGCDRN C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C1CC1 ZINC000294293746 385833327 /nfs/dbraw/zinc/83/33/27/385833327.db2.gz PMPZUCKKQDWADD-ZETCQYMHSA-N 0 0 243.709 3.073 20 10 BGCDRN CC[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294454155 170753294 /nfs/dbraw/zinc/75/32/94/170753294.db2.gz YORPSAOOVBCTEK-SSDOTTSWSA-N 0 0 231.698 3.073 20 10 BGCDRN CC[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294454158 171343359 /nfs/dbraw/zinc/34/33/59/171343359.db2.gz YORPSAOOVBCTEK-ZETCQYMHSA-N 0 0 231.698 3.073 20 10 BGCDRN CC/C=C/C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000294732239 385155682 /nfs/dbraw/zinc/15/56/82/385155682.db2.gz DKFHFAGTOSURCS-ONEGZZNKSA-N 0 0 225.719 3.101 20 10 BGCDRN CC(C)CCCC(=O)N(C)Cc1ccccc1O ZINC000294829226 385901637 /nfs/dbraw/zinc/90/16/37/385901637.db2.gz LIAPUJHRRFAJLD-UHFFFAOYSA-N 0 0 249.354 3.177 20 10 BGCDRN CCC1([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000294936228 388406509 /nfs/dbraw/zinc/40/65/09/388406509.db2.gz ZTYQCXOTDIKMSY-UHFFFAOYSA-N 0 0 225.719 3.078 20 10 BGCDRN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])C1CCC1 ZINC000295407023 386026270 /nfs/dbraw/zinc/02/62/70/386026270.db2.gz RGZKYJYMCXKCTO-UHFFFAOYSA-N 0 0 243.709 3.169 20 10 BGCDRN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])CC1CC1 ZINC000295487842 386040707 /nfs/dbraw/zinc/04/07/07/386040707.db2.gz XOGGRESSNYRUID-UHFFFAOYSA-N 0 0 243.709 3.027 20 10 BGCDRN FC1(F)CC(CSc2nccs2)C1 ZINC000295765795 180914717 /nfs/dbraw/zinc/91/47/17/180914717.db2.gz PJJSWWJIEDPMKK-UHFFFAOYSA-N 0 0 221.297 3.281 20 10 BGCDRN CCC1([NH2+][C@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000296395617 386170689 /nfs/dbraw/zinc/17/06/89/386170689.db2.gz KGPHVYSIIZUDKQ-MRVPVSSYSA-N 0 0 241.281 3.264 20 10 BGCDRN CCC1([NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000296395619 386169673 /nfs/dbraw/zinc/16/96/73/386169673.db2.gz KGPHVYSIIZUDKQ-QMMMGPOBSA-N 0 0 241.281 3.264 20 10 BGCDRN CC/C=C/C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000296583739 353825455 /nfs/dbraw/zinc/82/54/55/353825455.db2.gz UNEFYEXSUWKRGX-MOVJSRMASA-N 0 0 241.281 3.287 20 10 BGCDRN CC/C=C/C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000296583742 353825370 /nfs/dbraw/zinc/82/53/70/353825370.db2.gz UNEFYEXSUWKRGX-XNPJLODASA-N 0 0 241.281 3.287 20 10 BGCDRN Cc1ccc(N[C@@H]2CCc3cccc(O)c32)cn1 ZINC000296926304 364786905 /nfs/dbraw/zinc/78/69/05/364786905.db2.gz PUJLIBURZWNVLP-CYBMUJFWSA-N 0 0 240.306 3.195 20 10 BGCDRN Cc1ccc(N[C@H]2CCc3cccc(O)c32)cn1 ZINC000296926308 343986165 /nfs/dbraw/zinc/98/61/65/343986165.db2.gz PUJLIBURZWNVLP-ZDUSSCGKSA-N 0 0 240.306 3.195 20 10 BGCDRN Cc1ccnc(N[C@@H]2CCc3cccc(O)c32)c1 ZINC000297131467 386228944 /nfs/dbraw/zinc/22/89/44/386228944.db2.gz YYPMAISYNHHWRH-GFCCVEGCSA-N 0 0 240.306 3.195 20 10 BGCDRN Cc1ccnc(N[C@H]2CCc3cccc(O)c32)c1 ZINC000297131470 386228729 /nfs/dbraw/zinc/22/87/29/386228729.db2.gz YYPMAISYNHHWRH-LBPRGKRZSA-N 0 0 240.306 3.195 20 10 BGCDRN CC(C)(C)CCCC(=O)NCc1ccc(N)cc1 ZINC000297233857 386235249 /nfs/dbraw/zinc/23/52/49/386235249.db2.gz PDABPIDGGMGBGT-UHFFFAOYSA-N 0 0 248.370 3.101 20 10 BGCDRN CC[C@@H](O)CSc1ncc(C(C)(C)C)s1 ZINC000298349136 352499892 /nfs/dbraw/zinc/49/98/92/352499892.db2.gz OLDBSAQOUBPDMZ-MRVPVSSYSA-N 0 0 245.413 3.304 20 10 BGCDRN CC[C@H](O)CSc1ncc(C(C)(C)C)s1 ZINC000298349140 383854815 /nfs/dbraw/zinc/85/48/15/383854815.db2.gz OLDBSAQOUBPDMZ-QMMMGPOBSA-N 0 0 245.413 3.304 20 10 BGCDRN FC(F)(F)CCSc1nccs1 ZINC000299037075 180882656 /nfs/dbraw/zinc/88/26/56/180882656.db2.gz LEDFLFQXJHZITG-UHFFFAOYSA-N 0 0 213.249 3.188 20 10 BGCDRN FC(F)n1ccnc1CSc1nccs1 ZINC000299037220 386404027 /nfs/dbraw/zinc/40/40/27/386404027.db2.gz LPIOMEIOROHLTM-UHFFFAOYSA-N 0 0 247.295 3.027 20 10 BGCDRN Cc1ncc(CSc2nccs2)s1 ZINC000299139534 180162793 /nfs/dbraw/zinc/16/27/93/180162793.db2.gz RJXMELIEWCOOAQ-UHFFFAOYSA-N 0 0 228.367 3.200 20 10 BGCDRN C[N@@H+](Cc1c(O)ccc2ccccc21)CC1CC1 ZINC000299155690 386423422 /nfs/dbraw/zinc/42/34/22/386423422.db2.gz OGOROTKCXLVKNO-UHFFFAOYSA-N 0 0 241.334 3.387 20 10 BGCDRN CCN(Cc1cc(C)on1)c1ccc(OC)cc1 ZINC000299396843 352530488 /nfs/dbraw/zinc/53/04/88/352530488.db2.gz UKRDJJYSMBOMJL-UHFFFAOYSA-N 0 0 246.310 3.018 20 10 BGCDRN CCN(Cc1cc(C)no1)c1ccc(OC)cc1 ZINC000299401376 352530232 /nfs/dbraw/zinc/53/02/32/352530232.db2.gz VZNYPBREFUFWKB-UHFFFAOYSA-N 0 0 246.310 3.018 20 10 BGCDRN CCCN(Cc1ccccc1O)C(=O)CC(C)C ZINC000299625984 169178006 /nfs/dbraw/zinc/17/80/06/169178006.db2.gz JTAWWFLROGIXKH-UHFFFAOYSA-N 0 0 249.354 3.177 20 10 BGCDRN CCCCC(=O)N(CCC)Cc1ccccc1O ZINC000299660260 386478365 /nfs/dbraw/zinc/47/83/65/386478365.db2.gz OXPAIVXPYLRHRP-UHFFFAOYSA-N 0 0 249.354 3.321 20 10 BGCDRN CC(C)C[C@@H](C)CN(C)c1ccc(N)cc1 ZINC000300940197 592525204 /nfs/dbraw/zinc/52/52/04/592525204.db2.gz ORFJTIWTYVYPHE-GFCCVEGCSA-N 0 0 220.360 3.387 20 10 BGCDRN CC(C)C[C@H](C)CN(C)c1ccc(N)cc1 ZINC000300940199 592525528 /nfs/dbraw/zinc/52/55/28/592525528.db2.gz ORFJTIWTYVYPHE-LBPRGKRZSA-N 0 0 220.360 3.387 20 10 BGCDRN Cc1nc(C)c(C)c(Sc2nccs2)n1 ZINC000301442183 386844400 /nfs/dbraw/zinc/84/44/00/386844400.db2.gz NOFBQMOIORJCKP-UHFFFAOYSA-N 0 0 237.353 3.010 20 10 BGCDRN O=[N+]([O-])c1ccsc1Sc1nccs1 ZINC000301935070 182955759 /nfs/dbraw/zinc/95/57/59/182955759.db2.gz OVFXWAMIAXMZFE-UHFFFAOYSA-N 0 0 244.322 3.264 20 10 BGCDRN C[C@@H](Nc1ccccn1)c1ccc(N(C)C)cc1 ZINC000302031130 386898401 /nfs/dbraw/zinc/89/84/01/386898401.db2.gz SCHUNAZNLPVITM-GFCCVEGCSA-N 0 0 241.338 3.321 20 10 BGCDRN C[C@H](Nc1ccccn1)c1ccc(N(C)C)cc1 ZINC000302031131 386899634 /nfs/dbraw/zinc/89/96/34/386899634.db2.gz SCHUNAZNLPVITM-LBPRGKRZSA-N 0 0 241.338 3.321 20 10 BGCDRN CN(Cc1ccccc1O)c1ccc(Cl)cn1 ZINC000302617068 386928061 /nfs/dbraw/zinc/92/80/61/386928061.db2.gz GDZQIVFSDWWUGM-UHFFFAOYSA-N 0 0 248.713 3.077 20 10 BGCDRN CN(Cc1ccccc1O)c1ccncc1Cl ZINC000302624600 386930000 /nfs/dbraw/zinc/93/00/00/386930000.db2.gz HQSRFOBQJNCPCT-UHFFFAOYSA-N 0 0 248.713 3.077 20 10 BGCDRN CN(Cc1ccccc1O)c1ncccc1Cl ZINC000302645773 172876628 /nfs/dbraw/zinc/87/66/28/172876628.db2.gz MERPBAWNQOSOKV-UHFFFAOYSA-N 0 0 248.713 3.077 20 10 BGCDRN CN(Cc1ccccc1O)c1ccnc(Cl)c1 ZINC000302674938 386929078 /nfs/dbraw/zinc/92/90/78/386929078.db2.gz TYYBRLXNANKUOB-UHFFFAOYSA-N 0 0 248.713 3.077 20 10 BGCDRN CN(C[C@H]1CCC(F)(F)C1)c1ccc(N)cc1 ZINC000305934247 635956628 /nfs/dbraw/zinc/95/66/28/635956628.db2.gz DXGJAIVVRCPUIA-JTQLQIEISA-N 0 0 240.297 3.140 20 10 BGCDRN CN(C[C@@H]1CCC(F)(F)C1)c1ccc(N)cc1 ZINC000305934248 642713974 /nfs/dbraw/zinc/71/39/74/642713974.db2.gz DXGJAIVVRCPUIA-SNVBAGLBSA-N 0 0 240.297 3.140 20 10 BGCDRN CN(C(=O)CCC(C)(C)C)c1ccc(N)cc1 ZINC000305936700 642712310 /nfs/dbraw/zinc/71/23/10/642712310.db2.gz KPLTVXAKXRSYBW-UHFFFAOYSA-N 0 0 234.343 3.058 20 10 BGCDRN Cc1cnc(CSc2nccs2)s1 ZINC000306174584 711773329 /nfs/dbraw/zinc/77/33/29/711773329.db2.gz BVCJIIMALCFNTO-UHFFFAOYSA-N 0 0 228.367 3.200 20 10 BGCDRN Clc1cnc(Sc2ccncc2)s1 ZINC000306468007 635968576 /nfs/dbraw/zinc/96/85/76/635968576.db2.gz MYJGIEZCTHDEBU-UHFFFAOYSA-N 0 0 228.729 3.343 20 10 BGCDRN C[C@@H]1OCC[C@H]1Sc1ncc(Cl)s1 ZINC000306528873 360378243 /nfs/dbraw/zinc/37/82/43/360378243.db2.gz CBUBAYDBZCXPGD-NTSWFWBYSA-N 0 0 235.761 3.066 20 10 BGCDRN C[C@H]1OCC[C@H]1Sc1ncc(Cl)s1 ZINC000306528875 360377654 /nfs/dbraw/zinc/37/76/54/360377654.db2.gz CBUBAYDBZCXPGD-PHDIDXHHSA-N 0 0 235.761 3.066 20 10 BGCDRN C[C@H]1OCC[C@@H]1Sc1ncc(Cl)s1 ZINC000306528877 360378097 /nfs/dbraw/zinc/37/80/97/360378097.db2.gz CBUBAYDBZCXPGD-RITPCOANSA-N 0 0 235.761 3.066 20 10 BGCDRN C[C@@H]1OCC[C@@H]1Sc1ncc(Cl)s1 ZINC000306528879 360377940 /nfs/dbraw/zinc/37/79/40/360377940.db2.gz CBUBAYDBZCXPGD-WDSKDSINSA-N 0 0 235.761 3.066 20 10 BGCDRN Clc1cnc(SC[C@@H]2CCCO2)s1 ZINC000306715194 353036042 /nfs/dbraw/zinc/03/60/42/353036042.db2.gz RYABYFSNCCUQST-LURJTMIESA-N 0 0 235.761 3.068 20 10 BGCDRN Clc1cnc(SC[C@H]2CCCO2)s1 ZINC000306715195 350876691 /nfs/dbraw/zinc/87/66/91/350876691.db2.gz RYABYFSNCCUQST-ZCFIWIBFSA-N 0 0 235.761 3.068 20 10 BGCDRN Cc1coc(Sc2ncc(Cl)s2)n1 ZINC000307180364 711773756 /nfs/dbraw/zinc/77/37/56/711773756.db2.gz JPYLZUVQQPHYTB-UHFFFAOYSA-N 0 0 232.717 3.244 20 10 BGCDRN Clc1cnc(Sc2nccs2)s1 ZINC000307281940 643433704 /nfs/dbraw/zinc/43/37/04/643433704.db2.gz KIMQVGBVWVGJRX-UHFFFAOYSA-N 0 0 234.758 3.404 20 10 BGCDRN ClC1(Cl)C[C@@H]1CSc1nccs1 ZINC000307301676 635985491 /nfs/dbraw/zinc/98/54/91/635985491.db2.gz XYAPWGWMVNDKNR-RXMQYKEDSA-N 0 0 240.180 3.429 20 10 BGCDRN ClC1(Cl)C[C@H]1CSc1nccs1 ZINC000307301677 635984575 /nfs/dbraw/zinc/98/45/75/635984575.db2.gz XYAPWGWMVNDKNR-YFKPBYRVSA-N 0 0 240.180 3.429 20 10 BGCDRN Clc1cnc(S[C@H]2CCCOC2)s1 ZINC000307362365 643455839 /nfs/dbraw/zinc/45/58/39/643455839.db2.gz IPDLNNFAVVYUFN-LURJTMIESA-N 0 0 235.761 3.068 20 10 BGCDRN Clc1cnc(S[C@@H]2CCCOC2)s1 ZINC000307362367 643456872 /nfs/dbraw/zinc/45/68/72/643456872.db2.gz IPDLNNFAVVYUFN-ZCFIWIBFSA-N 0 0 235.761 3.068 20 10 BGCDRN Fc1ccccc1Sc1nccs1 ZINC000307578982 643518477 /nfs/dbraw/zinc/51/84/77/643518477.db2.gz OSVHFILXJKHPMP-UHFFFAOYSA-N 0 0 211.286 3.433 20 10 BGCDRN Clc1cnc(SC2CCOCC2)s1 ZINC000307632521 352722936 /nfs/dbraw/zinc/72/29/36/352722936.db2.gz QATCHRPYAAVWAW-UHFFFAOYSA-N 0 0 235.761 3.068 20 10 BGCDRN CC[C@H](CC(C)C)C(=O)NCc1ccccc1O ZINC000308092131 642366538 /nfs/dbraw/zinc/36/65/38/642366538.db2.gz SXZPLTPAAPKRIZ-GFCCVEGCSA-N 0 0 249.354 3.081 20 10 BGCDRN CC[C@@H](CC(C)C)C(=O)NCc1ccccc1O ZINC000308092135 642430540 /nfs/dbraw/zinc/43/05/40/642430540.db2.gz SXZPLTPAAPKRIZ-LBPRGKRZSA-N 0 0 249.354 3.081 20 10 BGCDRN COC(C)(C)CCSc1nccs1 ZINC000308273924 631240631 /nfs/dbraw/zinc/24/06/31/631240631.db2.gz UOQGVERMLJLVLB-UHFFFAOYSA-N 0 0 217.359 3.050 20 10 BGCDRN C[C@H]([NH2+]C/C(Cl)=C\Cl)c1ccccc1O ZINC000308826630 631673867 /nfs/dbraw/zinc/67/38/67/631673867.db2.gz AKLCWKJZEZTZRH-CYXIBPNKSA-N 0 0 246.137 3.362 20 10 BGCDRN CC[C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000309195441 632758383 /nfs/dbraw/zinc/75/83/83/632758383.db2.gz QLNUDRFVOGWMHX-SSDOTTSWSA-N 0 0 231.698 3.073 20 10 BGCDRN CC[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000309195442 632757939 /nfs/dbraw/zinc/75/79/39/632757939.db2.gz QLNUDRFVOGWMHX-ZETCQYMHSA-N 0 0 231.698 3.073 20 10 BGCDRN CC[C@@H]([NH2+]CC(C)C)c1ccc(F)cc1[O-] ZINC000309598464 633209971 /nfs/dbraw/zinc/20/99/71/633209971.db2.gz WYNCRIJHPZTQIE-GFCCVEGCSA-N 0 0 225.307 3.228 20 10 BGCDRN CC[C@H]([NH2+]CC(C)C)c1ccc(F)cc1[O-] ZINC000309598466 633963077 /nfs/dbraw/zinc/96/30/77/633963077.db2.gz WYNCRIJHPZTQIE-LBPRGKRZSA-N 0 0 225.307 3.228 20 10 BGCDRN CC1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000309733743 633233528 /nfs/dbraw/zinc/23/35/28/633233528.db2.gz BUEJZNPPUXEMGN-UHFFFAOYSA-N 0 0 243.709 3.074 20 10 BGCDRN C[C@@H]1CC[C@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000309813881 633774643 /nfs/dbraw/zinc/77/46/43/633774643.db2.gz UXPWTLRAFZNSLQ-GMSGAONNSA-N 0 0 243.709 3.073 20 10 BGCDRN C[C@H]1CC[C@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000309813882 633774155 /nfs/dbraw/zinc/77/41/55/633774155.db2.gz UXPWTLRAFZNSLQ-OIBJUYFYSA-N 0 0 243.709 3.073 20 10 BGCDRN C[C@@H]1CC[C@@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000309813883 633772496 /nfs/dbraw/zinc/77/24/96/633772496.db2.gz UXPWTLRAFZNSLQ-XCBNKYQSSA-N 0 0 243.709 3.073 20 10 BGCDRN C[C@H]1CC[C@@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000309813884 633773065 /nfs/dbraw/zinc/77/30/65/633773065.db2.gz UXPWTLRAFZNSLQ-XVKPBYJWSA-N 0 0 243.709 3.073 20 10 BGCDRN CC1(C)C[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000309815710 633779083 /nfs/dbraw/zinc/77/90/83/633779083.db2.gz VHUOFMGJYIMXCT-JTQLQIEISA-N 0 0 243.709 3.073 20 10 BGCDRN C[C@H]1CC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000309823413 633783454 /nfs/dbraw/zinc/78/34/54/633783454.db2.gz WWQUQVZDWBYTQP-CPCISQLKSA-N 0 0 243.709 3.073 20 10 BGCDRN C[C@@H]1CC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000309823414 633784263 /nfs/dbraw/zinc/78/42/63/633784263.db2.gz WWQUQVZDWBYTQP-HQJQHLMTSA-N 0 0 243.709 3.073 20 10 BGCDRN C[C@@H]1CC[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000309823416 632673880 /nfs/dbraw/zinc/67/38/80/632673880.db2.gz WWQUQVZDWBYTQP-RDDDGLTNSA-N 0 0 243.709 3.073 20 10 BGCDRN C[C@H]1CC[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000309823417 633783364 /nfs/dbraw/zinc/78/33/64/633783364.db2.gz WWQUQVZDWBYTQP-WRWORJQWSA-N 0 0 243.709 3.073 20 10 BGCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000309833043 634020381 /nfs/dbraw/zinc/02/03/81/634020381.db2.gz ZDVQGHRJFPXTEY-SSDOTTSWSA-N 0 0 243.709 3.073 20 10 BGCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000309833044 633816342 /nfs/dbraw/zinc/81/63/42/633816342.db2.gz ZDVQGHRJFPXTEY-ZETCQYMHSA-N 0 0 243.709 3.073 20 10 BGCDRN CC[C@@H]([NH2+]C1CCC1)c1ccc(F)cc1[O-] ZINC000309875458 633889791 /nfs/dbraw/zinc/88/97/91/633889791.db2.gz SMDBZMZVECLIDO-GFCCVEGCSA-N 0 0 223.291 3.125 20 10 BGCDRN CC[C@H]([NH2+]C1CCC1)c1ccc(F)cc1[O-] ZINC000309875460 633889949 /nfs/dbraw/zinc/88/99/49/633889949.db2.gz SMDBZMZVECLIDO-LBPRGKRZSA-N 0 0 223.291 3.125 20 10 BGCDRN CCCC[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000310032954 632694952 /nfs/dbraw/zinc/69/49/52/632694952.db2.gz RSEDAIQDKSFLPG-GFCCVEGCSA-N 0 0 225.307 3.372 20 10 BGCDRN CCCC[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000310032955 634095196 /nfs/dbraw/zinc/09/51/96/634095196.db2.gz RSEDAIQDKSFLPG-LBPRGKRZSA-N 0 0 225.307 3.372 20 10 BGCDRN CCC[C@@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000310038454 634064703 /nfs/dbraw/zinc/06/47/03/634064703.db2.gz WCMNQXCIUWRBLP-MRVPVSSYSA-N 0 0 245.725 3.463 20 10 BGCDRN CCC[C@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000310038455 632695930 /nfs/dbraw/zinc/69/59/30/632695930.db2.gz WCMNQXCIUWRBLP-QMMMGPOBSA-N 0 0 245.725 3.463 20 10 BGCDRN CCCCC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000310039143 632695975 /nfs/dbraw/zinc/69/59/75/632695975.db2.gz WSULBAMLQDFICM-UHFFFAOYSA-N 0 0 245.725 3.465 20 10 BGCDRN CCCC[C@@H](C)C(=O)N(C)c1ccc(N)cc1 ZINC000310061194 632698120 /nfs/dbraw/zinc/69/81/20/632698120.db2.gz QVERLPIXCBRJLS-LLVKDONJSA-N 0 0 234.343 3.058 20 10 BGCDRN CCCC[C@H](C)C(=O)N(C)c1ccc(N)cc1 ZINC000310061195 632697624 /nfs/dbraw/zinc/69/76/24/632697624.db2.gz QVERLPIXCBRJLS-NSHDSACASA-N 0 0 234.343 3.058 20 10 BGCDRN C[C@H]([NH2+][C@H]1CCC(F)(F)C1)c1ccccc1O ZINC000310373113 632734176 /nfs/dbraw/zinc/73/41/76/632734176.db2.gz YKYFNQPSPSWSSP-UWVGGRQHSA-N 0 0 241.281 3.231 20 10 BGCDRN C[C@H]([NH2+][C@@H]1CCC(F)(F)C1)c1ccccc1O ZINC000310373115 632733317 /nfs/dbraw/zinc/73/33/17/632733317.db2.gz YKYFNQPSPSWSSP-VHSXEESVSA-N 0 0 241.281 3.231 20 10 BGCDRN CCN(CC(C)(C)C)C(=O)Nc1ccc(N)cc1 ZINC000311054439 634208503 /nfs/dbraw/zinc/20/85/03/634208503.db2.gz REZVFQIFJABOGH-UHFFFAOYSA-N 0 0 249.358 3.169 20 10 BGCDRN Cc1ccoc1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000311124337 639944848 /nfs/dbraw/zinc/94/48/48/639944848.db2.gz PHSUULZLIDPDIM-JTQLQIEISA-N 0 0 249.285 3.284 20 10 BGCDRN CCCC[C@@H](C)N(C)C(=O)Nc1ccc(N)cc1 ZINC000311237562 711683020 /nfs/dbraw/zinc/68/30/20/711683020.db2.gz UTGDVHTYXXSUQC-LLVKDONJSA-N 0 0 249.358 3.311 20 10 BGCDRN CCCC[C@H](C)N(C)C(=O)Nc1ccc(N)cc1 ZINC000311237563 711682874 /nfs/dbraw/zinc/68/28/74/711682874.db2.gz UTGDVHTYXXSUQC-NSHDSACASA-N 0 0 249.358 3.311 20 10 BGCDRN CC(C)(C)C(C)(C)C(=O)NCc1ccccc1O ZINC000311237752 633087655 /nfs/dbraw/zinc/08/76/55/633087655.db2.gz XGCSSJKMABJSRN-UHFFFAOYSA-N 0 0 249.354 3.081 20 10 BGCDRN CC(C)(C)CCCNC(=O)Nc1ccc(N)cc1 ZINC000313267982 641548402 /nfs/dbraw/zinc/54/84/02/641548402.db2.gz RFPHKMYYRCGFCB-UHFFFAOYSA-N 0 0 249.358 3.217 20 10 BGCDRN CC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])C1CC1 ZINC000323903997 640928067 /nfs/dbraw/zinc/92/80/67/640928067.db2.gz QZJMDPFFSWJSMS-NOZJJQNGSA-N 0 0 237.318 3.371 20 10 BGCDRN CC[C@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])C1CC1 ZINC000323903999 640927745 /nfs/dbraw/zinc/92/77/45/640927745.db2.gz QZJMDPFFSWJSMS-RNCFNFMXSA-N 0 0 237.318 3.371 20 10 BGCDRN CC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])C1CC1 ZINC000323904002 640928409 /nfs/dbraw/zinc/92/84/09/640928409.db2.gz QZJMDPFFSWJSMS-TVQRCGJNSA-N 0 0 237.318 3.371 20 10 BGCDRN CC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])C1CC1 ZINC000323904004 640928021 /nfs/dbraw/zinc/92/80/21/640928021.db2.gz QZJMDPFFSWJSMS-ZANVPECISA-N 0 0 237.318 3.371 20 10 BGCDRN CC[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])C1CC1 ZINC000324392188 641793313 /nfs/dbraw/zinc/79/33/13/641793313.db2.gz BANKDWJYJVJWQS-GFCCVEGCSA-N 0 0 239.746 3.324 20 10 BGCDRN CC[C@H]([NH2+]Cc1cccc(Cl)c1[O-])C1CC1 ZINC000324392192 641792849 /nfs/dbraw/zinc/79/28/49/641792849.db2.gz BANKDWJYJVJWQS-LBPRGKRZSA-N 0 0 239.746 3.324 20 10 BGCDRN C[C@@H]1CC2(CCC2)C[N@@H+]1Cc1ccccc1O ZINC000365445322 176057823 /nfs/dbraw/zinc/05/78/23/176057823.db2.gz VOMFPIURGXNFJE-GFCCVEGCSA-N 0 0 231.339 3.157 20 10 BGCDRN [O-]c1c(F)cccc1C[N@@H+]1CCCC12CCC2 ZINC000377201870 387701949 /nfs/dbraw/zinc/70/19/49/387701949.db2.gz QCKZORFYFSKJAG-UHFFFAOYSA-N 0 0 235.302 3.050 20 10 BGCDRN C[C@H](CSc1nccs1)C(F)(F)F ZINC000379384907 712380466 /nfs/dbraw/zinc/38/04/66/712380466.db2.gz QNOIDMOEFNEGFV-RXMQYKEDSA-N 0 0 227.276 3.434 20 10 BGCDRN C[C@@H](CSc1nccs1)C(F)(F)F ZINC000379384908 712380446 /nfs/dbraw/zinc/38/04/46/712380446.db2.gz QNOIDMOEFNEGFV-YFKPBYRVSA-N 0 0 227.276 3.434 20 10 BGCDRN CCC[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000379976962 712643668 /nfs/dbraw/zinc/64/36/68/712643668.db2.gz FAJAUGUSDBYSAS-LLVKDONJSA-N 0 0 227.735 3.496 20 10 BGCDRN CCC[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000379976964 712643690 /nfs/dbraw/zinc/64/36/90/712643690.db2.gz FAJAUGUSDBYSAS-NSHDSACASA-N 0 0 227.735 3.496 20 10 BGCDRN CC(C)CC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000381012752 710597777 /nfs/dbraw/zinc/59/77/77/710597777.db2.gz ABJSMCFGANAUHC-UHFFFAOYSA-N 0 0 245.725 3.320 20 10 BGCDRN CC(C)(NCc1cc(Cl)ccc1O)C(F)F ZINC000381158096 710605600 /nfs/dbraw/zinc/60/56/00/710605600.db2.gz QQUISRYHBCVUOJ-UHFFFAOYSA-N 0 0 249.688 3.179 20 10 BGCDRN CCC(C)(C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000381354520 710626465 /nfs/dbraw/zinc/62/64/65/710626465.db2.gz CQKNJUYBHCFEEN-UHFFFAOYSA-N 0 0 245.725 3.463 20 10 BGCDRN CC[C@@H]([NH2+]CCCF)c1cccc(Cl)c1[O-] ZINC000381395697 710632314 /nfs/dbraw/zinc/63/23/14/710632314.db2.gz POAKXYLDUSHYRZ-LLVKDONJSA-N 0 0 245.725 3.446 20 10 BGCDRN CC[C@H]([NH2+]CCCF)c1cccc(Cl)c1[O-] ZINC000381395698 710631374 /nfs/dbraw/zinc/63/13/74/710631374.db2.gz POAKXYLDUSHYRZ-NSHDSACASA-N 0 0 245.725 3.446 20 10 BGCDRN C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])C1(C)CC1 ZINC000381465782 710641076 /nfs/dbraw/zinc/64/10/76/710641076.db2.gz LEBATASFRWIKNS-SECBINFHSA-N 0 0 239.746 3.324 20 10 BGCDRN C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])C1(C)CC1 ZINC000381465783 710640894 /nfs/dbraw/zinc/64/08/94/710640894.db2.gz LEBATASFRWIKNS-VIFPVBQESA-N 0 0 239.746 3.324 20 10 BGCDRN CC(C)=CC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000381468586 710641099 /nfs/dbraw/zinc/64/10/99/710641099.db2.gz LVPINYPNSIPCLW-UHFFFAOYSA-N 0 0 243.709 3.241 20 10 BGCDRN [O-]c1c(Cl)cccc1C[NH2+]C1(C2CC2)CC1 ZINC000381556978 710655066 /nfs/dbraw/zinc/65/50/66/710655066.db2.gz PMTQJWWREMUOLG-UHFFFAOYSA-N 0 0 237.730 3.078 20 10 BGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCCCF ZINC000381594926 710659265 /nfs/dbraw/zinc/65/92/65/710659265.db2.gz LESGRJIMROQOQA-UHFFFAOYSA-N 0 0 249.688 3.024 20 10 BGCDRN C[N@H+](Cc1cccc(Cl)c1[O-])C(C)(C)C ZINC000381934916 710759445 /nfs/dbraw/zinc/75/94/45/710759445.db2.gz SARCYASMHBRHBT-UHFFFAOYSA-N 0 0 227.735 3.276 20 10 BGCDRN Cc1ccc([C@@H](C)NCC(C)(F)F)c(O)c1 ZINC000382113506 710790099 /nfs/dbraw/zinc/79/00/99/710790099.db2.gz LICLBDJIHZOPRU-SECBINFHSA-N 0 0 229.270 3.006 20 10 BGCDRN Cc1ccc([C@H](C)NCC(C)(F)F)c(O)c1 ZINC000382113513 710790050 /nfs/dbraw/zinc/79/00/50/710790050.db2.gz LICLBDJIHZOPRU-VIFPVBQESA-N 0 0 229.270 3.006 20 10 BGCDRN C[C@@H](NCC(C)(F)F)c1cc(Cl)ccc1O ZINC000382171166 710803872 /nfs/dbraw/zinc/80/38/72/710803872.db2.gz WKMKGGDMDAKECY-SSDOTTSWSA-N 0 0 249.688 3.351 20 10 BGCDRN C[C@H](NCC(C)(F)F)c1cc(Cl)ccc1O ZINC000382171167 710804604 /nfs/dbraw/zinc/80/46/04/710804604.db2.gz WKMKGGDMDAKECY-ZETCQYMHSA-N 0 0 249.688 3.351 20 10 BGCDRN C[C@@H](F)CC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000382337689 711479279 /nfs/dbraw/zinc/47/92/79/711479279.db2.gz YOLOICGNZGEMCT-SSDOTTSWSA-N 0 0 249.688 3.022 20 10 BGCDRN C[C@H](F)CC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000382337690 711479532 /nfs/dbraw/zinc/47/95/32/711479532.db2.gz YOLOICGNZGEMCT-ZETCQYMHSA-N 0 0 249.688 3.022 20 10 BGCDRN CCC1(NC(=O)Nc2ccc(N)cc2)CCCC1 ZINC000382571265 711452802 /nfs/dbraw/zinc/45/28/02/711452802.db2.gz QKWZGYLWAUJQNP-UHFFFAOYSA-N 0 0 247.342 3.113 20 10 BGCDRN C[C@@H]1CCC[C@H](C(=O)N(C)c2ccc(N)cc2)C1 ZINC000383158075 711747337 /nfs/dbraw/zinc/74/73/37/711747337.db2.gz PPDBIPYFHLPHKW-NEPJUHHUSA-N 0 0 246.354 3.058 20 10 BGCDRN C[C@H]1CCC[C@@H](C(=O)N(C)c2ccc(N)cc2)C1 ZINC000383158077 711747583 /nfs/dbraw/zinc/74/75/83/711747583.db2.gz PPDBIPYFHLPHKW-NWDGAFQWSA-N 0 0 246.354 3.058 20 10 BGCDRN C[C@H]1CCC[C@H](C(=O)N(C)c2ccc(N)cc2)C1 ZINC000383158078 711747345 /nfs/dbraw/zinc/74/73/45/711747345.db2.gz PPDBIPYFHLPHKW-RYUDHWBXSA-N 0 0 246.354 3.058 20 10 BGCDRN C[C@@H]1CCC[C@@H](C(=O)N(C)c2ccc(N)cc2)C1 ZINC000383158080 711747513 /nfs/dbraw/zinc/74/75/13/711747513.db2.gz PPDBIPYFHLPHKW-VXGBXAGGSA-N 0 0 246.354 3.058 20 10 BGCDRN C[C@@H](CC(C)(C)C)NC(=O)Nc1ccc(N)cc1 ZINC000384464124 710994824 /nfs/dbraw/zinc/99/48/24/710994824.db2.gz OUKIONSNCUMGFS-JTQLQIEISA-N 0 0 249.358 3.215 20 10 BGCDRN C[C@H](CC(C)(C)C)NC(=O)Nc1ccc(N)cc1 ZINC000384464126 710994740 /nfs/dbraw/zinc/99/47/40/710994740.db2.gz OUKIONSNCUMGFS-SNVBAGLBSA-N 0 0 249.358 3.215 20 10 BGCDRN C/C=C\C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000384806204 710969273 /nfs/dbraw/zinc/96/92/73/710969273.db2.gz ZPTOEBYFUNEWAF-IHWYPQMZSA-N 0 0 246.137 3.365 20 10 BGCDRN C/C=C/C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000384806206 710969449 /nfs/dbraw/zinc/96/94/49/710969449.db2.gz ZPTOEBYFUNEWAF-NSCUHMNNSA-N 0 0 246.137 3.365 20 10 BGCDRN CC/C=C\C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000385032104 711004005 /nfs/dbraw/zinc/00/40/05/711004005.db2.gz PYBCPJASOGNCIQ-LWTINBJPSA-N 0 0 223.291 3.148 20 10 BGCDRN CC/C=C/C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000385032108 711004483 /nfs/dbraw/zinc/00/44/83/711004483.db2.gz PYBCPJASOGNCIQ-ORAHPGNNSA-N 0 0 223.291 3.148 20 10 BGCDRN CC/C=C\C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000385032114 711003906 /nfs/dbraw/zinc/00/39/06/711003906.db2.gz PYBCPJASOGNCIQ-UMCURTJPSA-N 0 0 223.291 3.148 20 10 BGCDRN CC/C=C/C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000385032125 712707998 /nfs/dbraw/zinc/70/79/98/712707998.db2.gz PYBCPJASOGNCIQ-YEZKRMTDSA-N 0 0 223.291 3.148 20 10 BGCDRN CC[C@H]1CC[C@H](C(=O)Nc2ccc(N)cc2)CC1 ZINC000385668829 711016337 /nfs/dbraw/zinc/01/63/37/711016337.db2.gz YXHMDJFEGQRDKI-HAQNSBGRSA-N 0 0 246.354 3.424 20 10 BGCDRN CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000385890390 711019244 /nfs/dbraw/zinc/01/92/44/711019244.db2.gz ZCASFFLYUNXOJT-HZSPNIEDSA-N 0 0 245.366 3.404 20 10 BGCDRN CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000385890394 711019668 /nfs/dbraw/zinc/01/96/68/711019668.db2.gz ZCASFFLYUNXOJT-MGPQQGTHSA-N 0 0 245.366 3.404 20 10 BGCDRN CCCN(CC(C)C)C(=O)Nc1ccc(N)cc1 ZINC000386582593 711032949 /nfs/dbraw/zinc/03/29/49/711032949.db2.gz HTXNTMBZONCJID-UHFFFAOYSA-N 0 0 249.358 3.169 20 10 BGCDRN CC(C)N(Cc1cc(F)ccc1O)CC(F)F ZINC000386794041 711037188 /nfs/dbraw/zinc/03/71/88/711037188.db2.gz MGSQFGBRZHBLQA-UHFFFAOYSA-N 0 0 247.260 3.007 20 10 BGCDRN CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000387722618 711046353 /nfs/dbraw/zinc/04/63/53/711046353.db2.gz POYYKKVAUSVUED-AXFHLTTASA-N 0 0 237.318 3.228 20 10 BGCDRN CC[C@@H]1C[C@H]1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000387722622 711046120 /nfs/dbraw/zinc/04/61/20/711046120.db2.gz POYYKKVAUSVUED-MXWKQRLJSA-N 0 0 237.318 3.228 20 10 BGCDRN CC[C@@H]1C[C@H]1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000387990017 711050574 /nfs/dbraw/zinc/05/05/74/711050574.db2.gz JZPMLNUVNBHGIJ-KOLCDFICSA-N 0 0 239.746 3.181 20 10 BGCDRN FC(F)C(F)(F)CSc1nccs1 ZINC000388349417 711058227 /nfs/dbraw/zinc/05/82/27/711058227.db2.gz NUVYSCQUHMSCTP-UHFFFAOYSA-N 0 0 231.239 3.136 20 10 BGCDRN Cc1cc(Cl)cc([C@@H](C)[NH2+]C2CC2)c1O ZINC000389840976 711092612 /nfs/dbraw/zinc/09/26/12/711092612.db2.gz JGSWOXVMXIDLAS-MRVPVSSYSA-N 0 0 225.719 3.167 20 10 BGCDRN Cc1cc(Cl)cc([C@H](C)[NH2+]C2CC2)c1O ZINC000389840978 711092902 /nfs/dbraw/zinc/09/29/02/711092902.db2.gz JGSWOXVMXIDLAS-QMMMGPOBSA-N 0 0 225.719 3.167 20 10 BGCDRN C/C=C\C[NH2+][C@@H](CC)c1ccccc1O ZINC000389868971 711093679 /nfs/dbraw/zinc/09/36/79/711093679.db2.gz IGXHZVXWSXMDFX-FHMRSRPSSA-N 0 0 205.301 3.009 20 10 BGCDRN C/C=C\C[NH2+][C@H](CC)c1ccccc1O ZINC000389868972 711093784 /nfs/dbraw/zinc/09/37/84/711093784.db2.gz IGXHZVXWSXMDFX-KTLBGCOUSA-N 0 0 205.301 3.009 20 10 BGCDRN C/C=C/C[NH2+][C@H](CC)c1ccccc1O ZINC000389868973 711093559 /nfs/dbraw/zinc/09/35/59/711093559.db2.gz IGXHZVXWSXMDFX-OGOUPESXSA-N 0 0 205.301 3.009 20 10 BGCDRN C/C=C/C[NH2+][C@@H](CC)c1ccccc1O ZINC000389868974 711094213 /nfs/dbraw/zinc/09/42/13/711094213.db2.gz IGXHZVXWSXMDFX-PYEVWLCESA-N 0 0 205.301 3.009 20 10 BGCDRN Cc1ccc([C@@H](C)N[C@@H](C)C(F)F)c(O)c1 ZINC000389925463 711098600 /nfs/dbraw/zinc/09/86/00/711098600.db2.gz CESUYDZNSUVGSN-BDAKNGLRSA-N 0 0 229.270 3.005 20 10 BGCDRN Cc1ccc([C@H](C)N[C@H](C)C(F)F)c(O)c1 ZINC000389925465 711098789 /nfs/dbraw/zinc/09/87/89/711098789.db2.gz CESUYDZNSUVGSN-DTWKUNHWSA-N 0 0 229.270 3.005 20 10 BGCDRN Cc1ccc([C@H](C)N[C@@H](C)C(F)F)c(O)c1 ZINC000389925467 711098911 /nfs/dbraw/zinc/09/89/11/711098911.db2.gz CESUYDZNSUVGSN-IUCAKERBSA-N 0 0 229.270 3.005 20 10 BGCDRN Cc1ccc([C@@H](C)N[C@H](C)C(F)F)c(O)c1 ZINC000389925469 711098838 /nfs/dbraw/zinc/09/88/38/711098838.db2.gz CESUYDZNSUVGSN-RKDXNWHRSA-N 0 0 229.270 3.005 20 10 BGCDRN Cc1ccc(O)c([C@@H](C)N[C@@H](C)C(F)F)c1 ZINC000389939715 712691739 /nfs/dbraw/zinc/69/17/39/712691739.db2.gz PFYUJGJHCPNONL-BDAKNGLRSA-N 0 0 229.270 3.005 20 10 BGCDRN Cc1ccc(O)c([C@H](C)N[C@H](C)C(F)F)c1 ZINC000389939717 712691662 /nfs/dbraw/zinc/69/16/62/712691662.db2.gz PFYUJGJHCPNONL-DTWKUNHWSA-N 0 0 229.270 3.005 20 10 BGCDRN Cc1ccc(O)c([C@H](C)N[C@@H](C)C(F)F)c1 ZINC000389939719 711100267 /nfs/dbraw/zinc/10/02/67/711100267.db2.gz PFYUJGJHCPNONL-IUCAKERBSA-N 0 0 229.270 3.005 20 10 BGCDRN Cc1ccc(O)c([C@@H](C)N[C@H](C)C(F)F)c1 ZINC000389939722 711100047 /nfs/dbraw/zinc/10/00/47/711100047.db2.gz PFYUJGJHCPNONL-RKDXNWHRSA-N 0 0 229.270 3.005 20 10 BGCDRN CC[C@@H](N[C@H](C)C(F)F)c1ccccc1O ZINC000389950615 711099320 /nfs/dbraw/zinc/09/93/20/711099320.db2.gz SPTOTQFFPLGIGR-PSASIEDQSA-N 0 0 229.270 3.087 20 10 BGCDRN CC[C@H](N[C@H](C)C(F)F)c1ccccc1O ZINC000389950616 711100169 /nfs/dbraw/zinc/10/01/69/711100169.db2.gz SPTOTQFFPLGIGR-SCZZXKLOSA-N 0 0 229.270 3.087 20 10 BGCDRN CC[C@@H](N[C@@H](C)C(F)F)c1ccccc1O ZINC000389950617 711100109 /nfs/dbraw/zinc/10/01/09/711100109.db2.gz SPTOTQFFPLGIGR-WCBMZHEXSA-N 0 0 229.270 3.087 20 10 BGCDRN CC[C@H](N[C@@H](C)C(F)F)c1ccccc1O ZINC000389950618 711099442 /nfs/dbraw/zinc/09/94/42/711099442.db2.gz SPTOTQFFPLGIGR-WPRPVWTQSA-N 0 0 229.270 3.087 20 10 BGCDRN C[C@@H](N[C@H](C)C(F)F)c1ccc(N(C)C)cc1 ZINC000389957591 711101021 /nfs/dbraw/zinc/10/10/21/711101021.db2.gz FOOBOBHZTIFNNW-NXEZZACHSA-N 0 0 242.313 3.057 20 10 BGCDRN C[C@H](N[C@@H](C)C(F)F)c1ccc(N(C)C)cc1 ZINC000389957595 711101084 /nfs/dbraw/zinc/10/10/84/711101084.db2.gz FOOBOBHZTIFNNW-UWVGGRQHSA-N 0 0 242.313 3.057 20 10 BGCDRN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(F)F ZINC000389957598 711100713 /nfs/dbraw/zinc/10/07/13/711100713.db2.gz FOOBOBHZTIFNNW-VHSXEESVSA-N 0 0 242.313 3.057 20 10 BGCDRN C[C@@H](N[C@@H](C)C(F)F)c1ccc(N(C)C)cc1 ZINC000389957600 711101018 /nfs/dbraw/zinc/10/10/18/711101018.db2.gz FOOBOBHZTIFNNW-ZJUUUORDSA-N 0 0 242.313 3.057 20 10 BGCDRN Cc1ccc(O)c([C@@H](C)NCC(C)(F)F)c1 ZINC000393520706 711161985 /nfs/dbraw/zinc/16/19/85/711161985.db2.gz OXHGOBSMEXIEPL-SECBINFHSA-N 0 0 229.270 3.006 20 10 BGCDRN Cc1ccc(O)c([C@H](C)NCC(C)(F)F)c1 ZINC000393520707 711162086 /nfs/dbraw/zinc/16/20/86/711162086.db2.gz OXHGOBSMEXIEPL-VIFPVBQESA-N 0 0 229.270 3.006 20 10 BGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCCCF ZINC000393740071 710671729 /nfs/dbraw/zinc/67/17/29/710671729.db2.gz GGFWBXLGPIVGII-UHFFFAOYSA-N 0 0 249.688 3.024 20 10 BGCDRN CC1(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000393778816 711173295 /nfs/dbraw/zinc/17/32/95/711173295.db2.gz HTJMJFUQRBFWDO-UHFFFAOYSA-N 0 0 243.709 3.074 20 10 BGCDRN CC(C)=CCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000393819783 711708593 /nfs/dbraw/zinc/70/85/93/711708593.db2.gz JNQWVEOHLSOHQU-UHFFFAOYSA-N 0 0 239.746 3.492 20 10 BGCDRN CC[C@H](NCC(C)(F)F)c1ccccc1O ZINC000393928932 711679816 /nfs/dbraw/zinc/67/98/16/711679816.db2.gz HRPMENYJEPVVJN-JTQLQIEISA-N 0 0 229.270 3.088 20 10 BGCDRN CC[C@@H](NCC(C)(F)F)c1ccccc1O ZINC000393928934 711679785 /nfs/dbraw/zinc/67/97/85/711679785.db2.gz HRPMENYJEPVVJN-SNVBAGLBSA-N 0 0 229.270 3.088 20 10 BGCDRN F[C@@H](CSc1nccs1)C(F)(F)F ZINC000394355783 711686725 /nfs/dbraw/zinc/68/67/25/711686725.db2.gz VFKFLSKJVZDNAS-BYPYZUCNSA-N 0 0 231.239 3.136 20 10 BGCDRN F[C@H](CSc1nccs1)C(F)(F)F ZINC000394355784 711190276 /nfs/dbraw/zinc/19/02/76/711190276.db2.gz VFKFLSKJVZDNAS-SCSAIBSYSA-N 0 0 231.239 3.136 20 10 BGCDRN CCC(CC)c1noc(Cc2ccc(N)cc2)n1 ZINC000395128701 711203937 /nfs/dbraw/zinc/20/39/37/711203937.db2.gz DMDCLBSVDQEBPA-UHFFFAOYSA-N 0 0 245.326 3.146 20 10 BGCDRN CC1(C)CC([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000395180527 711205423 /nfs/dbraw/zinc/20/54/23/711205423.db2.gz NCBHFPXVIMFIRF-UHFFFAOYSA-N 0 0 239.746 3.324 20 10 BGCDRN C[C@@H]([NH2+]C1CC(C)(C)C1)c1ccc(F)cc1[O-] ZINC000395184661 711204357 /nfs/dbraw/zinc/20/43/57/711204357.db2.gz QOHDGPVRVAWACO-SECBINFHSA-N 0 0 237.318 3.371 20 10 BGCDRN C[C@H]([NH2+]C1CC(C)(C)C1)c1ccc(F)cc1[O-] ZINC000395184662 711692995 /nfs/dbraw/zinc/69/29/95/711692995.db2.gz QOHDGPVRVAWACO-VIFPVBQESA-N 0 0 237.318 3.371 20 10 BGCDRN C[C@@H](N[C@@H]1CCCC1(F)F)c1ccccc1O ZINC000398016603 711399911 /nfs/dbraw/zinc/39/99/11/711399911.db2.gz XDMAJIIMZLVPAR-BXKDBHETSA-N 0 0 241.281 3.231 20 10 BGCDRN C[C@H](N[C@H]1CCCC1(F)F)c1ccccc1O ZINC000398016604 711398993 /nfs/dbraw/zinc/39/89/93/711398993.db2.gz XDMAJIIMZLVPAR-CABZTGNLSA-N 0 0 241.281 3.231 20 10 BGCDRN C[C@H](N[C@@H]1CCCC1(F)F)c1ccccc1O ZINC000398016605 711399468 /nfs/dbraw/zinc/39/94/68/711399468.db2.gz XDMAJIIMZLVPAR-JOYOIKCWSA-N 0 0 241.281 3.231 20 10 BGCDRN C[C@@H](N[C@H]1CCCC1(F)F)c1ccccc1O ZINC000398016606 711398720 /nfs/dbraw/zinc/39/87/20/711398720.db2.gz XDMAJIIMZLVPAR-SKDRFNHKSA-N 0 0 241.281 3.231 20 10 BGCDRN [O-]c1c(Cl)cccc1C[NH+]1C2CCC1CC2 ZINC000398864381 711415777 /nfs/dbraw/zinc/41/57/77/711415777.db2.gz BIGWUQMMCFRIQM-UHFFFAOYSA-N 0 0 237.730 3.172 20 10 BGCDRN CN(CCC(C)(C)C)C(=O)Nc1ccc(N)cc1 ZINC000399748013 710912555 /nfs/dbraw/zinc/91/25/55/710912555.db2.gz CJMNWNVYRSYUFZ-UHFFFAOYSA-N 0 0 249.358 3.169 20 10 BGCDRN CCOCCOc1ccc2c(c1)c(C)c(C)n2C ZINC000421194093 192314249 /nfs/dbraw/zinc/31/42/49/192314249.db2.gz GFSIZDKJEMOESC-UHFFFAOYSA-N 0 0 247.338 3.210 20 10 BGCDRN CO[C@@H](C)COc1ccc2c(c1)c(C)c(C)n2C ZINC000421198965 192314771 /nfs/dbraw/zinc/31/47/71/192314771.db2.gz LVPNIMVSCNNGHW-JTQLQIEISA-N 0 0 247.338 3.209 20 10 BGCDRN CO[C@H](C)COc1ccc2c(c1)c(C)c(C)n2C ZINC000421198971 192314718 /nfs/dbraw/zinc/31/47/18/192314718.db2.gz LVPNIMVSCNNGHW-SNVBAGLBSA-N 0 0 247.338 3.209 20 10 BGCDRN COCCCOc1ccc2c(c1)c(C)c(C)n2C ZINC000421207363 192313076 /nfs/dbraw/zinc/31/30/76/192313076.db2.gz WJYLRILWNAHHJX-UHFFFAOYSA-N 0 0 247.338 3.210 20 10 BGCDRN CN(C[C@@H]1CC=CCC1)c1ccc2c(c1)OCO2 ZINC000520885756 711805713 /nfs/dbraw/zinc/80/57/13/711805713.db2.gz HZDUJXOZDICNMQ-GFCCVEGCSA-N 0 0 245.322 3.208 20 10 BGCDRN CN(C[C@H]1CC=CCC1)c1ccc2c(c1)OCO2 ZINC000520885763 711805648 /nfs/dbraw/zinc/80/56/48/711805648.db2.gz HZDUJXOZDICNMQ-LBPRGKRZSA-N 0 0 245.322 3.208 20 10 BGCDRN C[C@H]([NH2+]CC1CC=CC1)c1ccc(F)cc1[O-] ZINC000527949398 387783877 /nfs/dbraw/zinc/78/38/77/387783877.db2.gz NJSUFKKVLQFCSV-JTQLQIEISA-N 0 0 235.302 3.148 20 10 BGCDRN C[C@@H]([NH2+]CC1CC=CC1)c1ccc(F)cc1[O-] ZINC000527949401 323725328 /nfs/dbraw/zinc/72/53/28/323725328.db2.gz NJSUFKKVLQFCSV-SNVBAGLBSA-N 0 0 235.302 3.148 20 10 BGCDRN [O-]c1c(Cl)cccc1C[NH2+]CC1CC=CC1 ZINC000529638832 324368907 /nfs/dbraw/zinc/36/89/07/324368907.db2.gz CEMWRRGQNWBDAF-UHFFFAOYSA-N 0 0 237.730 3.101 20 10 BGCDRN CCC(F)(F)CN[C@@H](C)c1ccc(C)cc1O ZINC000700074333 711985817 /nfs/dbraw/zinc/98/58/17/711985817.db2.gz JXBZDXKVSZFVLB-JTQLQIEISA-N 0 0 243.297 3.397 20 10 BGCDRN CCC(F)(F)CN[C@H](C)c1ccc(C)cc1O ZINC000700074334 711985802 /nfs/dbraw/zinc/98/58/02/711985802.db2.gz JXBZDXKVSZFVLB-SNVBAGLBSA-N 0 0 243.297 3.397 20 10 BGCDRN CCC(F)(F)CNCc1ccc(OC)c(C)c1 ZINC000700076031 711985463 /nfs/dbraw/zinc/98/54/63/711985463.db2.gz ZAOJHIWQCPBWTE-UHFFFAOYSA-N 0 0 243.297 3.139 20 10 BGCDRN CCC(F)(F)CN[C@H](C)c1ccccc1O ZINC000700164413 711987340 /nfs/dbraw/zinc/98/73/40/711987340.db2.gz IUFSCLMYYSMESO-SECBINFHSA-N 0 0 229.270 3.088 20 10 BGCDRN CCC(F)(F)CN[C@@H](C)c1ccccc1O ZINC000700164415 711987338 /nfs/dbraw/zinc/98/73/38/711987338.db2.gz IUFSCLMYYSMESO-VIFPVBQESA-N 0 0 229.270 3.088 20 10 BGCDRN CCC(F)(F)CNCc1c(O)cccc1Cl ZINC000700228525 711988242 /nfs/dbraw/zinc/98/82/42/711988242.db2.gz HSWMENCJJFIUFA-UHFFFAOYSA-N 0 0 249.688 3.181 20 10 BGCDRN CC(C)(F)CC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000700600436 712000387 /nfs/dbraw/zinc/00/03/87/712000387.db2.gz VWBYPBIJFKECSN-UHFFFAOYSA-N 0 0 245.725 3.273 20 10 BGCDRN CC[C@@H](CC(F)F)CN(C)c1ccc(N)cc1 ZINC000701466323 712023722 /nfs/dbraw/zinc/02/37/22/712023722.db2.gz GADCQDKCHWSJJT-JTQLQIEISA-N 0 0 242.313 3.386 20 10 BGCDRN CC[C@H](CC(F)F)CN(C)c1ccc(N)cc1 ZINC000701466324 712023284 /nfs/dbraw/zinc/02/32/84/712023284.db2.gz GADCQDKCHWSJJT-SNVBAGLBSA-N 0 0 242.313 3.386 20 10 BGCDRN CC(C)CC1([NH2+]Cc2cccc(F)c2[O-])CC1 ZINC000701483834 712024515 /nfs/dbraw/zinc/02/45/15/712024515.db2.gz XYFOKZLNYMDXFR-UHFFFAOYSA-N 0 0 237.318 3.200 20 10 BGCDRN CC1(C)C[C@@]1(C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000702022192 712036510 /nfs/dbraw/zinc/03/65/10/712036510.db2.gz GUZJSTDZZDGIDH-CYBMUJFWSA-N 0 0 239.746 3.324 20 10 BGCDRN CC1(C)C[C@]1(C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000702022195 712036505 /nfs/dbraw/zinc/03/65/05/712036505.db2.gz GUZJSTDZZDGIDH-ZDUSSCGKSA-N 0 0 239.746 3.324 20 10 BGCDRN CC(C)=CCCN(C)c1ccc(N)cc1 ZINC000702071158 712037354 /nfs/dbraw/zinc/03/73/54/712037354.db2.gz JJTFURUWCIAOHI-UHFFFAOYSA-N 0 0 204.317 3.061 20 10 BGCDRN CC(C)c1cnc(CN(C)c2ccc(N)cc2)o1 ZINC000702086590 712039517 /nfs/dbraw/zinc/03/95/17/712039517.db2.gz DVIFTAXJMKZXKS-UHFFFAOYSA-N 0 0 245.326 3.017 20 10 BGCDRN CN(C(=O)CC1=CCCCC1)c1ccc(N)cc1 ZINC000702092428 712038659 /nfs/dbraw/zinc/03/86/59/712038659.db2.gz HVNDOHRBDUPNGY-UHFFFAOYSA-N 0 0 244.338 3.122 20 10 BGCDRN CC1([NH2+]Cc2cccc(Cl)c2[O-])CC=CC1 ZINC000702117368 712039396 /nfs/dbraw/zinc/03/93/96/712039396.db2.gz ZZMHCGFSVZLTSW-UHFFFAOYSA-N 0 0 237.730 3.244 20 10 BGCDRN [O-]c1c(Cl)cccc1C[NH2+]CC1=CCCC1 ZINC000702376170 712049067 /nfs/dbraw/zinc/04/90/67/712049067.db2.gz YXQZKCLJVTXYBF-UHFFFAOYSA-N 0 0 237.730 3.246 20 10 BGCDRN C[C@H]([NH2+]CC1=CCCC1)c1ccc(F)cc1[O-] ZINC000702412680 712051860 /nfs/dbraw/zinc/05/18/60/712051860.db2.gz YOHXLQNPUUKKQM-JTQLQIEISA-N 0 0 235.302 3.292 20 10 BGCDRN C[C@@H]([NH2+]CC1=CCCC1)c1ccc(F)cc1[O-] ZINC000702412682 712051372 /nfs/dbraw/zinc/05/13/72/712051372.db2.gz YOHXLQNPUUKKQM-SNVBAGLBSA-N 0 0 235.302 3.292 20 10 BGCDRN CC(C)=CCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703295247 712071114 /nfs/dbraw/zinc/07/11/14/712071114.db2.gz LXGZMWBSQDVXGF-UHFFFAOYSA-N 0 0 241.281 3.116 20 10 BGCDRN CC1([NH2+]Cc2ccc(F)c(F)c2[O-])CCCC1 ZINC000703362529 712073169 /nfs/dbraw/zinc/07/31/69/712073169.db2.gz ASQZCFVRUZHATE-UHFFFAOYSA-N 0 0 241.281 3.093 20 10 BGCDRN [O-]c1c(C[NH2+]C2CCCCC2)ccc(F)c1F ZINC000703362562 712073469 /nfs/dbraw/zinc/07/34/69/712073469.db2.gz BEDWEJDZDQYKJN-UHFFFAOYSA-N 0 0 241.281 3.093 20 10 BGCDRN CCC1([NH2+]Cc2ccc(F)c(F)c2[O-])CCC1 ZINC000703365846 712073868 /nfs/dbraw/zinc/07/38/68/712073868.db2.gz QQLYCDOTFQCXCA-UHFFFAOYSA-N 0 0 241.281 3.093 20 10 BGCDRN CC(C)C(C)(C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703379488 712073764 /nfs/dbraw/zinc/07/37/64/712073764.db2.gz LJNXHIHWVYLSTH-UHFFFAOYSA-N 0 0 243.297 3.195 20 10 BGCDRN C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])C(C)(C)C ZINC000703416420 712074283 /nfs/dbraw/zinc/07/42/83/712074283.db2.gz BGUKNSWENQBQLQ-MRVPVSSYSA-N 0 0 243.297 3.195 20 10 BGCDRN CC1(C)CCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703481043 712076653 /nfs/dbraw/zinc/07/66/53/712076653.db2.gz DIWGKLOFARVODN-UHFFFAOYSA-N 0 0 241.281 3.045 20 10 BGCDRN [O-]c1c(C[NH+]2CCCCCC2)ccc(F)c1F ZINC000703481834 712076531 /nfs/dbraw/zinc/07/65/31/712076531.db2.gz IJHNVDWVONBZHG-UHFFFAOYSA-N 0 0 241.281 3.046 20 10 BGCDRN C[N@H+](Cc1ccc(F)c(F)c1[O-])C1CCCC1 ZINC000703482442 712076713 /nfs/dbraw/zinc/07/67/13/712076713.db2.gz LOANNHIHJIMYOW-UHFFFAOYSA-N 0 0 241.281 3.045 20 10 BGCDRN CC[C@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703484338 712076383 /nfs/dbraw/zinc/07/63/83/712076383.db2.gz XIHAOEVJZSFXAM-JTQLQIEISA-N 0 0 241.281 3.045 20 10 BGCDRN CC[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703484339 712076372 /nfs/dbraw/zinc/07/63/72/712076372.db2.gz XIHAOEVJZSFXAM-SNVBAGLBSA-N 0 0 241.281 3.045 20 10 BGCDRN C[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703489242 712077230 /nfs/dbraw/zinc/07/72/30/712077230.db2.gz FXQFTWNEFKNBMM-SECBINFHSA-N 0 0 241.281 3.045 20 10 BGCDRN C[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703489244 712077118 /nfs/dbraw/zinc/07/71/18/712077118.db2.gz FXQFTWNEFKNBMM-VIFPVBQESA-N 0 0 241.281 3.045 20 10 BGCDRN C[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703503766 712077517 /nfs/dbraw/zinc/07/75/17/712077517.db2.gz VBYBWQYDOHXOOA-DTORHVGOSA-N 0 0 241.281 3.043 20 10 BGCDRN C[C@H]1CC[C@H](C)[NH+]1Cc1ccc(F)c(F)c1[O-] ZINC000703503767 712077592 /nfs/dbraw/zinc/07/75/92/712077592.db2.gz VBYBWQYDOHXOOA-IUCAKERBSA-N 0 0 241.281 3.043 20 10 BGCDRN C[C@@H]1CC[C@@H](C)[NH+]1Cc1ccc(F)c(F)c1[O-] ZINC000703503768 712077551 /nfs/dbraw/zinc/07/75/51/712077551.db2.gz VBYBWQYDOHXOOA-RKDXNWHRSA-N 0 0 241.281 3.043 20 10 BGCDRN CC(C)[C@@H](C)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000703504489 712077173 /nfs/dbraw/zinc/07/71/73/712077173.db2.gz YWRMPCOGULHIMW-SECBINFHSA-N 0 0 243.297 3.147 20 10 BGCDRN CC(C)[C@H](C)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000703504492 712077286 /nfs/dbraw/zinc/07/72/86/712077286.db2.gz YWRMPCOGULHIMW-VIFPVBQESA-N 0 0 243.297 3.147 20 10 BGCDRN CCC(C)(C)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000703519334 712077933 /nfs/dbraw/zinc/07/79/33/712077933.db2.gz VHMSMLWRESNAPY-UHFFFAOYSA-N 0 0 243.297 3.291 20 10 BGCDRN C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1ccc(F)cc1[O-] ZINC000705199589 712126698 /nfs/dbraw/zinc/12/66/98/712126698.db2.gz NBBJJKKZYVVURY-CHIMOYNISA-N 0 0 249.329 3.228 20 10 BGCDRN CN(CC1CC(C)(C)C1)c1ccc(N)cc1 ZINC000706170583 712141483 /nfs/dbraw/zinc/14/14/83/712141483.db2.gz GRYCXOXZKCNEBB-UHFFFAOYSA-N 0 0 218.344 3.141 20 10 BGCDRN [O-]c1c(F)cccc1C[NH2+]C[C@H]1CCCC12CC2 ZINC000706277859 712142814 /nfs/dbraw/zinc/14/28/14/712142814.db2.gz IZRKJCHHNJCLBA-GFCCVEGCSA-N 0 0 249.329 3.201 20 10 BGCDRN [O-]c1c(F)cccc1C[NH2+]C[C@@H]1CCCC12CC2 ZINC000706277861 712142899 /nfs/dbraw/zinc/14/28/99/712142899.db2.gz IZRKJCHHNJCLBA-LBPRGKRZSA-N 0 0 249.329 3.201 20 10 BGCDRN CCN(C(=O)Nc1ccc(N)cc1)[C@H](C)C(C)C ZINC000706493041 712147352 /nfs/dbraw/zinc/14/73/52/712147352.db2.gz OTYVSYHSZXQTLD-LLVKDONJSA-N 0 0 249.358 3.167 20 10 BGCDRN CCN(C(=O)Nc1ccc(N)cc1)[C@@H](C)C(C)C ZINC000706493045 712147382 /nfs/dbraw/zinc/14/73/82/712147382.db2.gz OTYVSYHSZXQTLD-NSHDSACASA-N 0 0 249.358 3.167 20 10 BGCDRN C[C@@H]([NH2+][C@H](C)C1(C)CC1)c1ccc(F)cc1[O-] ZINC000706942163 712162434 /nfs/dbraw/zinc/16/24/34/712162434.db2.gz LFURIESOTMZNJF-NXEZZACHSA-N 0 0 237.318 3.371 20 10 BGCDRN C[C@H]([NH2+][C@@H](C)C1(C)CC1)c1ccc(F)cc1[O-] ZINC000706942166 712162292 /nfs/dbraw/zinc/16/22/92/712162292.db2.gz LFURIESOTMZNJF-UWVGGRQHSA-N 0 0 237.318 3.371 20 10 BGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])C1(C)CC1 ZINC000706942169 712162194 /nfs/dbraw/zinc/16/21/94/712162194.db2.gz LFURIESOTMZNJF-VHSXEESVSA-N 0 0 237.318 3.371 20 10 BGCDRN C[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1ccc(F)cc1[O-] ZINC000706942172 712162423 /nfs/dbraw/zinc/16/24/23/712162423.db2.gz LFURIESOTMZNJF-ZJUUUORDSA-N 0 0 237.318 3.371 20 10 BGCDRN [O-]c1c(F)cccc1C[NH+]1C2CCCC1CCC2 ZINC000707154983 712165496 /nfs/dbraw/zinc/16/54/96/712165496.db2.gz KJDPLAIBHQBWKT-UHFFFAOYSA-N 0 0 249.329 3.438 20 10 BGCDRN C[C@@H]1CC[C@H](C)[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000708385307 712191869 /nfs/dbraw/zinc/19/18/69/712191869.db2.gz RHYCJAWXZMBMID-DTORHVGOSA-N 0 0 241.281 3.043 20 10 BGCDRN C[C@H]1CC[C@H](C)[NH+]1Cc1cc(F)cc(F)c1[O-] ZINC000708385309 712192125 /nfs/dbraw/zinc/19/21/25/712192125.db2.gz RHYCJAWXZMBMID-IUCAKERBSA-N 0 0 241.281 3.043 20 10 BGCDRN C[C@@H]1CC[C@@H](C)[NH+]1Cc1cc(F)cc(F)c1[O-] ZINC000708385310 712191593 /nfs/dbraw/zinc/19/15/93/712191593.db2.gz RHYCJAWXZMBMID-RKDXNWHRSA-N 0 0 241.281 3.043 20 10 BGCDRN CC[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000708400855 712192961 /nfs/dbraw/zinc/19/29/61/712192961.db2.gz QAJGVQRCEBBLEP-LLVKDONJSA-N 0 0 241.281 3.045 20 10 BGCDRN CC[C@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000708400856 712192662 /nfs/dbraw/zinc/19/26/62/712192662.db2.gz QAJGVQRCEBBLEP-NSHDSACASA-N 0 0 241.281 3.045 20 10 BGCDRN CC1(C)CCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000708401424 712192437 /nfs/dbraw/zinc/19/24/37/712192437.db2.gz RZYJAANQSJXLSW-UHFFFAOYSA-N 0 0 241.281 3.045 20 10 BGCDRN C[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000708412338 712194180 /nfs/dbraw/zinc/19/41/80/712194180.db2.gz GYONJNUZTZJCLI-SECBINFHSA-N 0 0 241.281 3.045 20 10 BGCDRN C[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000708412341 712193557 /nfs/dbraw/zinc/19/35/57/712193557.db2.gz GYONJNUZTZJCLI-VIFPVBQESA-N 0 0 241.281 3.045 20 10 BGCDRN [O-]c1c(F)cc(F)cc1C[NH+]1CCCCCC1 ZINC000708412497 712193476 /nfs/dbraw/zinc/19/34/76/712193476.db2.gz IBKNUDMQLNCQCO-UHFFFAOYSA-N 0 0 241.281 3.046 20 10 BGCDRN C[N@H+](Cc1cc(F)cc(F)c1[O-])C1CCCC1 ZINC000708412981 712193542 /nfs/dbraw/zinc/19/35/42/712193542.db2.gz KFQIXSZJUYHDIK-UHFFFAOYSA-N 0 0 241.281 3.045 20 10 BGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C1CCCCC1 ZINC000708440462 712195053 /nfs/dbraw/zinc/19/50/53/712195053.db2.gz BLBWCXCKUIJPLO-UHFFFAOYSA-N 0 0 241.281 3.093 20 10 BGCDRN CCC1([NH2+]Cc2cc(F)cc(F)c2[O-])CCC1 ZINC000708441582 712195090 /nfs/dbraw/zinc/19/50/90/712195090.db2.gz JKYADGOJWVGNJU-UHFFFAOYSA-N 0 0 241.281 3.093 20 10 BGCDRN CC1([NH2+]Cc2cc(F)cc(F)c2[O-])CCCC1 ZINC000708446088 712194801 /nfs/dbraw/zinc/19/48/01/712194801.db2.gz ZIEQBAHUONPCJA-UHFFFAOYSA-N 0 0 241.281 3.093 20 10 BGCDRN C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C(C)(C)C ZINC000708453205 712194754 /nfs/dbraw/zinc/19/47/54/712194754.db2.gz FQRPSFJPIQKMRO-MRVPVSSYSA-N 0 0 243.297 3.195 20 10 BGCDRN CC(C)=CCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708465855 712194995 /nfs/dbraw/zinc/19/49/95/712194995.db2.gz KQHMWTWAZHQUHT-UHFFFAOYSA-N 0 0 241.281 3.116 20 10 BGCDRN CC(C)C(C)(C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708514725 712211942 /nfs/dbraw/zinc/21/19/42/712211942.db2.gz KGUKTLBCTSEZPH-UHFFFAOYSA-N 0 0 243.297 3.195 20 10 BGCDRN Nc1ccc(NCc2csc(C3CC3)n2)cc1 ZINC000708840691 712373916 /nfs/dbraw/zinc/37/39/16/712373916.db2.gz ZVACHULRYIIFGW-UHFFFAOYSA-N 0 0 245.351 3.215 20 10 BGCDRN CCOc1ccccc1NCc1nc(C)c(C)[nH]1 ZINC000708950275 712204377 /nfs/dbraw/zinc/20/43/77/712204377.db2.gz CCGCLDOGOUHNLE-UHFFFAOYSA-N 0 0 245.326 3.037 20 10 BGCDRN C[C@H](CC(C)(C)C)C(=O)NCc1ccccc1O ZINC000709158948 712211215 /nfs/dbraw/zinc/21/12/15/712211215.db2.gz BWMMVCYDXUFAKV-LLVKDONJSA-N 0 0 249.354 3.081 20 10 BGCDRN C[C@@H](CC(C)(C)C)C(=O)NCc1ccccc1O ZINC000709158953 712211202 /nfs/dbraw/zinc/21/12/02/712211202.db2.gz BWMMVCYDXUFAKV-NSHDSACASA-N 0 0 249.354 3.081 20 10 BGCDRN CCc1cccc(CNc2cncc(C)c2)c1O ZINC000709420770 712221412 /nfs/dbraw/zinc/22/14/12/712221412.db2.gz GGRRIJCHLFXWKI-UHFFFAOYSA-N 0 0 242.322 3.270 20 10 BGCDRN Nc1ccc(NC(=O)C2CCC3(CC3)CC2)cc1 ZINC000709962308 712235298 /nfs/dbraw/zinc/23/52/98/712235298.db2.gz HVHAIYUHTHTZCE-UHFFFAOYSA-N 0 0 244.338 3.178 20 10 BGCDRN CCC(C)(C)[C@H](C)NC(=O)Nc1ccc(N)cc1 ZINC000710036821 712243066 /nfs/dbraw/zinc/24/30/66/712243066.db2.gz NONYVNHAKULGQV-JTQLQIEISA-N 0 0 249.358 3.215 20 10 BGCDRN CCC(C)(C)[C@@H](C)NC(=O)Nc1ccc(N)cc1 ZINC000710036824 712242828 /nfs/dbraw/zinc/24/28/28/712242828.db2.gz NONYVNHAKULGQV-SNVBAGLBSA-N 0 0 249.358 3.215 20 10 BGCDRN CN(CCCC1CCC1)c1ccc(N)cc1 ZINC000711188560 712287887 /nfs/dbraw/zinc/28/78/87/712287887.db2.gz BHNWELURQSJTKY-UHFFFAOYSA-N 0 0 218.344 3.285 20 10 BGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1C=CCC1 ZINC000711753409 712324681 /nfs/dbraw/zinc/32/46/81/712324681.db2.gz ZHAYGKKWXQLBIV-JTQLQIEISA-N 0 0 237.730 3.101 20 10 BGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1C=CCC1 ZINC000711753417 712325101 /nfs/dbraw/zinc/32/51/01/712325101.db2.gz ZHAYGKKWXQLBIV-SNVBAGLBSA-N 0 0 237.730 3.101 20 10 BGCDRN C[C@@H]([NH2+]C[C@@H]1C=CCC1)c1ccc(F)cc1[O-] ZINC000711784263 712329991 /nfs/dbraw/zinc/32/99/91/712329991.db2.gz FSLMTTYOQPFCIB-GHMZBOCLSA-N 0 0 235.302 3.148 20 10 BGCDRN C[C@@H]([NH2+]C[C@H]1C=CCC1)c1ccc(F)cc1[O-] ZINC000711784264 712330073 /nfs/dbraw/zinc/33/00/73/712330073.db2.gz FSLMTTYOQPFCIB-MNOVXSKESA-N 0 0 235.302 3.148 20 10 BGCDRN C[C@H]([NH2+]C[C@H]1C=CCC1)c1ccc(F)cc1[O-] ZINC000711784267 712330066 /nfs/dbraw/zinc/33/00/66/712330066.db2.gz FSLMTTYOQPFCIB-QWRGUYRKSA-N 0 0 235.302 3.148 20 10 BGCDRN C[C@H]([NH2+]C[C@@H]1C=CCC1)c1ccc(F)cc1[O-] ZINC000711784270 712329938 /nfs/dbraw/zinc/32/99/38/712329938.db2.gz FSLMTTYOQPFCIB-WDEREUQCSA-N 0 0 235.302 3.148 20 10 BGCDRN C=C/C=C\CC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000713499191 712463480 /nfs/dbraw/zinc/46/34/80/712463480.db2.gz OYEIQVVNWSOINJ-DOGVGXBMSA-N 0 0 235.302 3.314 20 10 BGCDRN C=C/C=C/CC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000713499192 712463453 /nfs/dbraw/zinc/46/34/53/712463453.db2.gz OYEIQVVNWSOINJ-SGUJLRQBSA-N 0 0 235.302 3.314 20 10 BGCDRN C=C/C=C\CC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000713499194 712463418 /nfs/dbraw/zinc/46/34/18/712463418.db2.gz OYEIQVVNWSOINJ-WYGGZMRJSA-N 0 0 235.302 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585163268 /nfs/dbraw/zinc/16/32/68/585163268.db2.gz HAYIWQVULJFCAR-OAHLLOKOSA-N 0 0 249.354 3.091 20 10 BGCDRN CCCN(CC)c1ccc(OCC)cc1 ZINC000746158523 585164050 /nfs/dbraw/zinc/16/40/50/585164050.db2.gz ALDIFBZUQZUPIB-UHFFFAOYSA-N 0 0 207.317 3.322 20 10 BGCDRN CCCCN(CC)c1ccc(OC)c(OC)c1 ZINC000746168426 585164451 /nfs/dbraw/zinc/16/44/51/585164451.db2.gz LGYQCVJRLTZOOW-UHFFFAOYSA-N 0 0 237.343 3.330 20 10 BGCDRN CCN(Cc1cccnc1)c1ccc(OC)cc1 ZINC000747682018 585182174 /nfs/dbraw/zinc/18/21/74/585182174.db2.gz HSGMVLDCDNECGL-UHFFFAOYSA-N 0 0 242.322 3.117 20 10 BGCDRN CCOc1ccc(N(CC)CCSC)cc1 ZINC000747684299 585182464 /nfs/dbraw/zinc/18/24/64/585182464.db2.gz YLEUIPGBBHLJDJ-UHFFFAOYSA-N 0 0 239.384 3.275 20 10 BGCDRN CCN(Cc1cscn1)c1ccc(OC)cc1 ZINC000747684352 585182496 /nfs/dbraw/zinc/18/24/96/585182496.db2.gz YWYQBTWGALGOBC-UHFFFAOYSA-N 0 0 248.351 3.178 20 10 BGCDRN Cc1cscc1NC(=O)C1=CC(=O)CS1 ZINC000749293126 585201082 /nfs/dbraw/zinc/20/10/82/585201082.db2.gz ZPHGGKGHOHPFFP-UHFFFAOYSA-N 0 0 239.321 3.076 20 10 BGCDRN CCOc1ccc(N(C)Cc2nccs2)cc1 ZINC000749513835 585203271 /nfs/dbraw/zinc/20/32/71/585203271.db2.gz FUSARMRZCWLFCH-UHFFFAOYSA-N 0 0 248.351 3.178 20 10 BGCDRN CCOCCCOc1ccc(N2CCCC2)cc1 ZINC000749792047 585206062 /nfs/dbraw/zinc/20/60/62/585206062.db2.gz VYKYCMYVUHABHA-UHFFFAOYSA-N 0 0 249.354 3.092 20 10 BGCDRN CC[C@@H](C)CN(C)c1ccc(OC)cc1OC ZINC000752108904 585242239 /nfs/dbraw/zinc/24/22/39/585242239.db2.gz DGVFTGHTASDJOV-LLVKDONJSA-N 0 0 237.343 3.186 20 10 BGCDRN CC[C@H](C)CN(C)c1ccc(OC)cc1OC ZINC000752108907 585242430 /nfs/dbraw/zinc/24/24/30/585242430.db2.gz DGVFTGHTASDJOV-NSHDSACASA-N 0 0 237.343 3.186 20 10 BGCDRN CCCCCN(C)c1ccc(OC)cc1OC ZINC000752110555 585242635 /nfs/dbraw/zinc/24/26/35/585242635.db2.gz KEGDDLYLNGZQAR-UHFFFAOYSA-N 0 0 237.343 3.330 20 10 BGCDRN COc1ccc(N(C)CCC(C)C)c(OC)c1 ZINC000752112701 585242736 /nfs/dbraw/zinc/24/27/36/585242736.db2.gz JMCNCNJQSBZERR-UHFFFAOYSA-N 0 0 237.343 3.186 20 10 BGCDRN COc1ccc(N(C)CC2CCCC2)c(OC)c1 ZINC000752114006 585242674 /nfs/dbraw/zinc/24/26/74/585242674.db2.gz TYRYHQLJGVQPMD-UHFFFAOYSA-N 0 0 249.354 3.330 20 10 BGCDRN COc1ccc(N(C)CC=C(C)C)c(OC)c1 ZINC000752125481 585242791 /nfs/dbraw/zinc/24/27/91/585242791.db2.gz QUVJDGBHUVXUQT-UHFFFAOYSA-N 0 0 235.327 3.106 20 10 BGCDRN COc1ccc(N(C)[C@@H]2C=CCCC2)c(OC)c1 ZINC000752126418 585242750 /nfs/dbraw/zinc/24/27/50/585242750.db2.gz RVKDXLLXYHBKCD-GFCCVEGCSA-N 0 0 247.338 3.249 20 10 BGCDRN COc1ccc(N(C)[C@H]2C=CCCC2)c(OC)c1 ZINC000752126419 585242589 /nfs/dbraw/zinc/24/25/89/585242589.db2.gz RVKDXLLXYHBKCD-LBPRGKRZSA-N 0 0 247.338 3.249 20 10 BGCDRN COc1ccc2c(c1)CCCN2C[C@@H]1C[C@@H]1C ZINC000754142421 644609188 /nfs/dbraw/zinc/60/91/88/644609188.db2.gz FVDJTUIGSUJNCP-AAEUAGOBSA-N 0 0 231.339 3.104 20 10 BGCDRN COc1ccc2c(c1)CCCN2C[C@H]1C[C@H]1C ZINC000754142422 644609544 /nfs/dbraw/zinc/60/95/44/644609544.db2.gz FVDJTUIGSUJNCP-DGCLKSJQSA-N 0 0 231.339 3.104 20 10 BGCDRN COc1ccc2c(c1)CCCN2C[C@H]1C[C@@H]1C ZINC000754142423 644609893 /nfs/dbraw/zinc/60/98/93/644609893.db2.gz FVDJTUIGSUJNCP-WCQYABFASA-N 0 0 231.339 3.104 20 10 BGCDRN COc1ccc2c(c1)CCCN2C[C@@H]1C[C@H]1C ZINC000754142424 644609805 /nfs/dbraw/zinc/60/98/05/644609805.db2.gz FVDJTUIGSUJNCP-YPMHNXCESA-N 0 0 231.339 3.104 20 10 BGCDRN COc1ccc(N(C)C[C@H]2C[C@H]2C)cc1Cl ZINC000754143347 644609545 /nfs/dbraw/zinc/60/95/45/644609545.db2.gz JMSOHHHJKAJJIE-NXEZZACHSA-N 0 0 239.746 3.441 20 10 BGCDRN COc1ccc(N(C)C[C@@H]2C[C@@H]2C)cc1Cl ZINC000754143375 644609504 /nfs/dbraw/zinc/60/95/04/644609504.db2.gz JMSOHHHJKAJJIE-UWVGGRQHSA-N 0 0 239.746 3.441 20 10 BGCDRN COc1ccc(N(C)C[C@H]2C[C@@H]2C)cc1Cl ZINC000754143377 644609706 /nfs/dbraw/zinc/60/97/06/644609706.db2.gz JMSOHHHJKAJJIE-VHSXEESVSA-N 0 0 239.746 3.441 20 10 BGCDRN COc1ccc(N(C)C[C@@H]2C[C@H]2C)cc1Cl ZINC000754143380 644609772 /nfs/dbraw/zinc/60/97/72/644609772.db2.gz JMSOHHHJKAJJIE-ZJUUUORDSA-N 0 0 239.746 3.441 20 10 BGCDRN CC(C)COc1ccc(N2CCCC2)cc1 ZINC000754303946 585282186 /nfs/dbraw/zinc/28/21/86/585282186.db2.gz XPLAHFWNWBJEIW-UHFFFAOYSA-N 0 0 219.328 3.322 20 10 BGCDRN CC1=CC[N@H+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000755766853 585306474 /nfs/dbraw/zinc/30/64/74/585306474.db2.gz GLCZYISAPVVTSU-UHFFFAOYSA-N 0 0 243.350 3.033 20 10 BGCDRN C[C@@H]([NH2+]C1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000756340436 585317946 /nfs/dbraw/zinc/31/79/46/585317946.db2.gz FSPOTIXRDLLMRX-MRVPVSSYSA-N 0 0 241.281 3.264 20 10 BGCDRN C[C@H]([NH2+]C1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000756340524 585318143 /nfs/dbraw/zinc/31/81/43/585318143.db2.gz FSPOTIXRDLLMRX-QMMMGPOBSA-N 0 0 241.281 3.264 20 10 BGCDRN CC(C)CC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756343458 585318025 /nfs/dbraw/zinc/31/80/25/585318025.db2.gz OLOKGFCXSDZFDY-SECBINFHSA-N 0 0 243.297 3.367 20 10 BGCDRN CC(C)CC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756343460 585318022 /nfs/dbraw/zinc/31/80/22/585318022.db2.gz OLOKGFCXSDZFDY-VIFPVBQESA-N 0 0 243.297 3.367 20 10 BGCDRN C[C@@H]([NH2+][C@H](C)C1CC1)c1cc(F)cc(F)c1[O-] ZINC000756365159 585318390 /nfs/dbraw/zinc/31/83/90/585318390.db2.gz ZOYUHRMMXGOQSO-HTQZYQBOSA-N 0 0 241.281 3.120 20 10 BGCDRN C[C@@H]([NH2+][C@@H](C)C1CC1)c1cc(F)cc(F)c1[O-] ZINC000756365163 585318477 /nfs/dbraw/zinc/31/84/77/585318477.db2.gz ZOYUHRMMXGOQSO-JGVFFNPUSA-N 0 0 241.281 3.120 20 10 BGCDRN C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C1CC1 ZINC000756365165 585318472 /nfs/dbraw/zinc/31/84/72/585318472.db2.gz ZOYUHRMMXGOQSO-SFYZADRCSA-N 0 0 241.281 3.120 20 10 BGCDRN C[C@H]([NH2+][C@@H](C)C1CC1)c1cc(F)cc(F)c1[O-] ZINC000756365168 585318226 /nfs/dbraw/zinc/31/82/26/585318226.db2.gz ZOYUHRMMXGOQSO-YUMQZZPRSA-N 0 0 241.281 3.120 20 10 BGCDRN C[C@@H]([NH2+]CC1CCC1)c1cc(F)cc(F)c1[O-] ZINC000756477113 585319991 /nfs/dbraw/zinc/31/99/91/585319991.db2.gz WLQCBZLSVBLAAO-MRVPVSSYSA-N 0 0 241.281 3.121 20 10 BGCDRN C[C@H]([NH2+]CC1CCC1)c1cc(F)cc(F)c1[O-] ZINC000756477114 585320054 /nfs/dbraw/zinc/32/00/54/585320054.db2.gz WLQCBZLSVBLAAO-QMMMGPOBSA-N 0 0 241.281 3.121 20 10 BGCDRN CN(CC1CCCC1)c1ccc2c(c1)OCO2 ZINC000756645100 585322100 /nfs/dbraw/zinc/32/21/00/585322100.db2.gz NEUGUZXWBJYVJC-UHFFFAOYSA-N 0 0 233.311 3.042 20 10 BGCDRN C[C@@H]([NH2+]CCC1CC1)c1cc(F)cc(F)c1[O-] ZINC000756730429 712407208 /nfs/dbraw/zinc/40/72/08/712407208.db2.gz AKJMDDSVUSBOIZ-MRVPVSSYSA-N 0 0 241.281 3.121 20 10 BGCDRN C[C@H]([NH2+]CCC1CC1)c1cc(F)cc(F)c1[O-] ZINC000756730432 712407239 /nfs/dbraw/zinc/40/72/39/712407239.db2.gz AKJMDDSVUSBOIZ-QMMMGPOBSA-N 0 0 241.281 3.121 20 10 BGCDRN C[C@@H]([NH2+]C1CC(C)C1)c1cc(F)cc(F)c1[O-] ZINC000756735970 644629845 /nfs/dbraw/zinc/62/98/45/644629845.db2.gz JTYANCXPNZRVHY-CCNFQMFXSA-N 0 0 241.281 3.120 20 10 BGCDRN C[C@H]([NH2+]C1CC(C)C1)c1cc(F)cc(F)c1[O-] ZINC000756735972 644629303 /nfs/dbraw/zinc/62/93/03/644629303.db2.gz JTYANCXPNZRVHY-ZCUBBSJVSA-N 0 0 241.281 3.120 20 10 BGCDRN C[C@@H]([NH2+]CC1(C)CC1)c1cc(F)cc(F)c1[O-] ZINC000756737309 644629605 /nfs/dbraw/zinc/62/96/05/644629605.db2.gz SRFWNISTWWCDCB-MRVPVSSYSA-N 0 0 241.281 3.121 20 10 BGCDRN C[C@H]([NH2+]CC1(C)CC1)c1cc(F)cc(F)c1[O-] ZINC000756737310 644629649 /nfs/dbraw/zinc/62/96/49/644629649.db2.gz SRFWNISTWWCDCB-QMMMGPOBSA-N 0 0 241.281 3.121 20 10 BGCDRN C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])c1ccc[nH]1 ZINC000756784662 585323150 /nfs/dbraw/zinc/32/31/50/585323150.db2.gz PYMJRHGVYMEFDB-NXEZZACHSA-N 0 0 248.301 3.271 20 10 BGCDRN C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccc[nH]1 ZINC000756784664 585323223 /nfs/dbraw/zinc/32/32/23/585323223.db2.gz PYMJRHGVYMEFDB-UWVGGRQHSA-N 0 0 248.301 3.271 20 10 BGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccc[nH]1 ZINC000756784667 585323225 /nfs/dbraw/zinc/32/32/25/585323225.db2.gz PYMJRHGVYMEFDB-VHSXEESVSA-N 0 0 248.301 3.271 20 10 BGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc[nH]1)c1ccc(F)cc1[O-] ZINC000756784668 585323137 /nfs/dbraw/zinc/32/31/37/585323137.db2.gz PYMJRHGVYMEFDB-ZJUUUORDSA-N 0 0 248.301 3.271 20 10 BGCDRN C[C@@H]([NH2+]C1(C2CC2)CC1)c1ccc(F)cc1[O-] ZINC000756836463 585324178 /nfs/dbraw/zinc/32/41/78/585324178.db2.gz ASQGMZSSZFQVSU-SECBINFHSA-N 0 0 235.302 3.125 20 10 BGCDRN C[C@H]([NH2+]C1(C2CC2)CC1)c1ccc(F)cc1[O-] ZINC000756836467 585324225 /nfs/dbraw/zinc/32/42/25/585324225.db2.gz ASQGMZSSZFQVSU-VIFPVBQESA-N 0 0 235.302 3.125 20 10 BGCDRN CC(C)(C)OCCCSc1nccs1 ZINC000756945255 585325524 /nfs/dbraw/zinc/32/55/24/585325524.db2.gz DEQGKZFLLOBRNT-UHFFFAOYSA-N 0 0 231.386 3.440 20 10 BGCDRN CN(C)c1ccc(OCc2cccc(F)c2)cc1 ZINC000757704805 585344334 /nfs/dbraw/zinc/34/43/34/585344334.db2.gz PTFUYWGSVCERNR-UHFFFAOYSA-N 0 0 245.297 3.471 20 10 BGCDRN CN(C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000757704867 585344444 /nfs/dbraw/zinc/34/44/44/585344444.db2.gz QFGUUHCBCJQEOX-UHFFFAOYSA-N 0 0 245.297 3.471 20 10 BGCDRN CN(C)c1ccc(OCc2ccccc2F)cc1 ZINC000757718358 585344513 /nfs/dbraw/zinc/34/45/13/585344513.db2.gz REUTZRBUVYXGHY-UHFFFAOYSA-N 0 0 245.297 3.471 20 10 BGCDRN COc1ccc(N(C)[C@@H]2C=CCCC2)cc1F ZINC000757851048 585346111 /nfs/dbraw/zinc/34/61/11/585346111.db2.gz BOHKCZBARXUNEG-LLVKDONJSA-N 0 0 235.302 3.379 20 10 BGCDRN COc1ccc(N(C)[C@H]2C=CCCC2)cc1F ZINC000757851054 585346051 /nfs/dbraw/zinc/34/60/51/585346051.db2.gz BOHKCZBARXUNEG-NSHDSACASA-N 0 0 235.302 3.379 20 10 BGCDRN COc1ccc(N(C)CCC2CC2)cc1F ZINC000757851085 585346119 /nfs/dbraw/zinc/34/61/19/585346119.db2.gz BZUPLLRXNYCXOH-UHFFFAOYSA-N 0 0 223.291 3.071 20 10 BGCDRN COc1ccc(N(C)CC=C(C)C)cc1F ZINC000757852178 585346064 /nfs/dbraw/zinc/34/60/64/585346064.db2.gz XVACLBOSRBVBPF-UHFFFAOYSA-N 0 0 223.291 3.237 20 10 BGCDRN CCCCN(C)c1ccc(OC)c(F)c1 ZINC000757853149 585345999 /nfs/dbraw/zinc/34/59/99/585345999.db2.gz SLZCQQVJZZYGOA-UHFFFAOYSA-N 0 0 211.280 3.071 20 10 BGCDRN COc1ccc(N(C)CCC(C)C)cc1F ZINC000757853213 585346110 /nfs/dbraw/zinc/34/61/10/585346110.db2.gz WUOUEJYDENSRFB-UHFFFAOYSA-N 0 0 225.307 3.317 20 10 BGCDRN CC[C@H](C)CN(C)c1ccc(OC)c(F)c1 ZINC000757853289 585346240 /nfs/dbraw/zinc/34/62/40/585346240.db2.gz ZXGOCUMCOWXADQ-JTQLQIEISA-N 0 0 225.307 3.317 20 10 BGCDRN CC[C@@H](C)CN(C)c1ccc(OC)c(F)c1 ZINC000757853291 585346232 /nfs/dbraw/zinc/34/62/32/585346232.db2.gz ZXGOCUMCOWXADQ-SNVBAGLBSA-N 0 0 225.307 3.317 20 10 BGCDRN COc1ccc(N(C)CC(C)C)cc1Cl ZINC000757858160 585346092 /nfs/dbraw/zinc/34/60/92/585346092.db2.gz ZDOIVXGZSUWKFM-UHFFFAOYSA-N 0 0 227.735 3.441 20 10 BGCDRN CCCN(C)c1ccc(OC)c(Cl)c1 ZINC000757858173 585345974 /nfs/dbraw/zinc/34/59/74/585345974.db2.gz ZYZCKGIQGZGMLF-UHFFFAOYSA-N 0 0 213.708 3.195 20 10 BGCDRN c1csc(SCC[C@H]2CCCCO2)n1 ZINC000758392945 585355710 /nfs/dbraw/zinc/35/57/10/585355710.db2.gz UBVVACHFDMAVNR-SECBINFHSA-N 0 0 229.370 3.194 20 10 BGCDRN c1csc(SCC[C@@H]2CCCCO2)n1 ZINC000758392964 585355678 /nfs/dbraw/zinc/35/56/78/585355678.db2.gz UBVVACHFDMAVNR-VIFPVBQESA-N 0 0 229.370 3.194 20 10 BGCDRN FCCN1CCCc2cc(OC(F)F)ccc21 ZINC000759330105 585368094 /nfs/dbraw/zinc/36/80/94/585368094.db2.gz CXZOSBBEIUZEGU-UHFFFAOYSA-N 0 0 245.244 3.010 20 10 BGCDRN COc1ccc(N(CCF)CC(C)C)cc1 ZINC000759333836 585368488 /nfs/dbraw/zinc/36/84/88/585368488.db2.gz VKONZTRQKVWZIV-UHFFFAOYSA-N 0 0 225.307 3.127 20 10 BGCDRN COc1ccc(N(CCF)C(C)C)cc1F ZINC000759340571 585369002 /nfs/dbraw/zinc/36/90/02/585369002.db2.gz XAOCIWHFXMLIQS-UHFFFAOYSA-N 0 0 229.270 3.019 20 10 BGCDRN Cc1ccc(CSc2nccs2)cn1 ZINC000760150983 644647076 /nfs/dbraw/zinc/64/70/76/644647076.db2.gz UGWFZUKJKMXAQS-UHFFFAOYSA-N 0 0 222.338 3.139 20 10 BGCDRN CCC(CC)(CC)C(=O)NCc1ccccc1O ZINC000761498662 585416710 /nfs/dbraw/zinc/41/67/10/585416710.db2.gz PFADRJDJBLIKST-UHFFFAOYSA-N 0 0 249.354 3.225 20 10 BGCDRN CCC(=CC(=O)N(C)Cc1ccccc1O)CC ZINC000761711219 585418048 /nfs/dbraw/zinc/41/80/48/585418048.db2.gz DZDPKSVJARMONE-UHFFFAOYSA-N 0 0 247.338 3.097 20 10 BGCDRN CCC(CC)[C@@H](C)C(=O)NCc1ccccc1O ZINC000761955724 585423328 /nfs/dbraw/zinc/42/33/28/585423328.db2.gz CMFIAFHDTXGADQ-LLVKDONJSA-N 0 0 249.354 3.081 20 10 BGCDRN CCC(CC)[C@H](C)C(=O)NCc1ccccc1O ZINC000761955726 585423294 /nfs/dbraw/zinc/42/32/94/585423294.db2.gz CMFIAFHDTXGADQ-NSHDSACASA-N 0 0 249.354 3.081 20 10 BGCDRN CCC/C(C)=C\C(=O)N(C)Cc1ccccc1O ZINC000762792936 585437404 /nfs/dbraw/zinc/43/74/04/585437404.db2.gz GKWYZNUHFZWFGC-BENRWUELSA-N 0 0 247.338 3.097 20 10 BGCDRN CCC/C(C)=C/C(=O)N(C)Cc1ccccc1O ZINC000762792939 585437213 /nfs/dbraw/zinc/43/72/13/585437213.db2.gz GKWYZNUHFZWFGC-ZRDIBKRKSA-N 0 0 247.338 3.097 20 10 BGCDRN C/C(=C/C(=O)NCc1ccccc1O)C(C)(C)C ZINC000762807027 712411471 /nfs/dbraw/zinc/41/14/71/712411471.db2.gz IBDROZBVRSOENK-LUAWRHEFSA-N 0 0 247.338 3.001 20 10 BGCDRN C/C(=C\C(=O)NCc1ccccc1O)C(C)(C)C ZINC000762807030 584915683 /nfs/dbraw/zinc/91/56/83/584915683.db2.gz IBDROZBVRSOENK-PKNBQFBNSA-N 0 0 247.338 3.001 20 10 BGCDRN COc1ccc(N(CC2CC2)C(C)C)cc1F ZINC000763522371 585449411 /nfs/dbraw/zinc/44/94/11/585449411.db2.gz YFIAPDFXRDLXBN-UHFFFAOYSA-N 0 0 237.318 3.459 20 10 BGCDRN Cc1ccc(Cl)c(NCc2ccccc2O)n1 ZINC000765021766 585479528 /nfs/dbraw/zinc/47/95/28/585479528.db2.gz VEFNKRZTCQMKKK-UHFFFAOYSA-N 0 0 248.713 3.361 20 10 BGCDRN COc1ccc2c(c1)CCCCN2CCCF ZINC000766268563 585499753 /nfs/dbraw/zinc/49/97/53/585499753.db2.gz FHKZSCMDKROSQA-UHFFFAOYSA-N 0 0 237.318 3.198 20 10 BGCDRN CCOc1ccc(N(CC)CCCF)cc1 ZINC000766863825 585508773 /nfs/dbraw/zinc/50/87/73/585508773.db2.gz CYZMRXFYDVTFIX-UHFFFAOYSA-N 0 0 225.307 3.271 20 10 BGCDRN CC/C=C\CCN(C)c1ccc(OC)c(OC)c1 ZINC000767305265 585516433 /nfs/dbraw/zinc/51/64/33/585516433.db2.gz OESDUZIVKVSYTI-SREVYHEPSA-N 0 0 249.354 3.496 20 10 BGCDRN CC/C=C/CCN(C)c1ccc(OC)c(OC)c1 ZINC000767305266 585516387 /nfs/dbraw/zinc/51/63/87/585516387.db2.gz OESDUZIVKVSYTI-VOTSOKGWSA-N 0 0 249.354 3.496 20 10 BGCDRN CC/C=C\CCN(C)c1ccc(OC)cc1OC ZINC000767329812 585516534 /nfs/dbraw/zinc/51/65/34/585516534.db2.gz GYHQTKLMNVZRFB-SREVYHEPSA-N 0 0 249.354 3.496 20 10 BGCDRN CC/C=C/CCN(C)c1ccc(OC)cc1OC ZINC000767329815 585516595 /nfs/dbraw/zinc/51/65/95/585516595.db2.gz GYHQTKLMNVZRFB-VOTSOKGWSA-N 0 0 249.354 3.496 20 10 BGCDRN CC/C=C\CCN(C)c1ccc2c(c1)OCO2 ZINC000767333797 585516742 /nfs/dbraw/zinc/51/67/42/585516742.db2.gz WKADMKGYBLSISY-PLNGDYQASA-N 0 0 233.311 3.208 20 10 BGCDRN CC/C=C/CCN(C)c1ccc2c(c1)OCO2 ZINC000767333798 585516429 /nfs/dbraw/zinc/51/64/29/585516429.db2.gz WKADMKGYBLSISY-SNAWJCMRSA-N 0 0 233.311 3.208 20 10 BGCDRN CCN(C/C=C/Cl)c1ccc(OC)cc1 ZINC000767889215 585527546 /nfs/dbraw/zinc/52/75/46/585527546.db2.gz KBQDUWGJCRWEMY-RUDMXATFSA-N 0 0 225.719 3.274 20 10 BGCDRN CCN(C/C=C\Cl)c1ccc(OC)cc1 ZINC000767889217 585527520 /nfs/dbraw/zinc/52/75/20/585527520.db2.gz KBQDUWGJCRWEMY-WTKPLQERSA-N 0 0 225.719 3.274 20 10 BGCDRN COc1cccc(O)c1C[N@H+](C)C1CCCCC1 ZINC000768138519 585532988 /nfs/dbraw/zinc/53/29/88/585532988.db2.gz NKBKJKKVBSGVQQ-UHFFFAOYSA-N 0 0 249.354 3.165 20 10 BGCDRN CCOc1ccc(C[N@@H+]2CCC[C@@H](C)C2)c(O)c1 ZINC000768140188 585532719 /nfs/dbraw/zinc/53/27/19/585532719.db2.gz WIIODDCGYTVFGJ-GFCCVEGCSA-N 0 0 249.354 3.023 20 10 BGCDRN CCOc1ccc(C[N@@H+]2CCC[C@H](C)C2)c(O)c1 ZINC000768140189 585532754 /nfs/dbraw/zinc/53/27/54/585532754.db2.gz WIIODDCGYTVFGJ-LBPRGKRZSA-N 0 0 249.354 3.023 20 10 BGCDRN CCCC[N@H+](C)Cc1ccc(OCC)cc1O ZINC000768142070 585532650 /nfs/dbraw/zinc/53/26/50/585532650.db2.gz FNUFTFHWBNEDPC-UHFFFAOYSA-N 0 0 237.343 3.023 20 10 BGCDRN CCCC[N@H+](CC)Cc1c(O)cccc1OC ZINC000768142293 585532750 /nfs/dbraw/zinc/53/27/50/585532750.db2.gz AGSSDPVDBZUQKS-UHFFFAOYSA-N 0 0 237.343 3.023 20 10 BGCDRN CCOc1ccc(C[N@H+](C)[C@H](C)C2CC2)c(O)c1 ZINC000768423054 585538532 /nfs/dbraw/zinc/53/85/32/585538532.db2.gz XACRJBAXSBMHHP-LLVKDONJSA-N 0 0 249.354 3.021 20 10 BGCDRN CCOc1ccc(C[N@H+](C)[C@@H](C)C2CC2)c(O)c1 ZINC000768423056 585538656 /nfs/dbraw/zinc/53/86/56/585538656.db2.gz XACRJBAXSBMHHP-NSHDSACASA-N 0 0 249.354 3.021 20 10 BGCDRN CCC1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000768930910 585546133 /nfs/dbraw/zinc/54/61/33/585546133.db2.gz HOSUIJPHSHLDRI-UHFFFAOYSA-N 0 0 249.354 3.023 20 10 BGCDRN Cc1cc(O)c(C[N@H+](C)Cc2ccoc2)cc1C ZINC000769003272 585547391 /nfs/dbraw/zinc/54/73/91/585547391.db2.gz DHTLDCIALQZNNW-UHFFFAOYSA-N 0 0 245.322 3.234 20 10 BGCDRN CCOc1ccc(C[N@@H+]2CCC[C@H]2CC)c(O)c1 ZINC000769010850 585547402 /nfs/dbraw/zinc/54/74/02/585547402.db2.gz WELKFBPNMMSXDK-CYBMUJFWSA-N 0 0 249.354 3.165 20 10 BGCDRN CCOc1ccc(C[N@@H+]2CCC[C@@H]2CC)c(O)c1 ZINC000769010851 585547555 /nfs/dbraw/zinc/54/75/55/585547555.db2.gz WELKFBPNMMSXDK-ZDUSSCGKSA-N 0 0 249.354 3.165 20 10 BGCDRN CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2CC)c1 ZINC000769011670 585547531 /nfs/dbraw/zinc/54/75/31/585547531.db2.gz ZPKNUCYZFJZNFB-CYBMUJFWSA-N 0 0 249.354 3.165 20 10 BGCDRN CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2CC)c1 ZINC000769011671 585547445 /nfs/dbraw/zinc/54/74/45/585547445.db2.gz ZPKNUCYZFJZNFB-ZDUSSCGKSA-N 0 0 249.354 3.165 20 10 BGCDRN COc1cccc(O)c1C[N@@H+]1CCC[C@@H](C)CC1 ZINC000769148622 585550183 /nfs/dbraw/zinc/55/01/83/585550183.db2.gz PPDDANDEZXJOIC-GFCCVEGCSA-N 0 0 249.354 3.023 20 10 BGCDRN COc1cccc(O)c1C[N@@H+]1CCC[C@H](C)CC1 ZINC000769148623 585550024 /nfs/dbraw/zinc/55/00/24/585550024.db2.gz PPDDANDEZXJOIC-LBPRGKRZSA-N 0 0 249.354 3.023 20 10 BGCDRN CCOc1ccc(C[N@@H+]2CCCC2(C)C)c(O)c1 ZINC000769246262 585551452 /nfs/dbraw/zinc/55/14/52/585551452.db2.gz YVHFISDVRBEZQF-UHFFFAOYSA-N 0 0 249.354 3.165 20 10 BGCDRN CC[N@H+](Cc1cc(C)ccc1O)C1CCC1 ZINC000769465886 585557660 /nfs/dbraw/zinc/55/76/60/585557660.db2.gz GANWZOPTYFQAGX-UHFFFAOYSA-N 0 0 219.328 3.075 20 10 BGCDRN Oc1ccccc1C[NH+](CC1CC1)CC1CC1 ZINC000770509615 585574989 /nfs/dbraw/zinc/57/49/89/585574989.db2.gz DYJNFFKFPGWIRW-UHFFFAOYSA-N 0 0 231.339 3.014 20 10 BGCDRN Cc1cnc([C@@H](C)Sc2nccs2)o1 ZINC000770635985 585578288 /nfs/dbraw/zinc/57/82/88/585578288.db2.gz ZHYFUJRFYPURMF-SSDOTTSWSA-N 0 0 226.326 3.293 20 10 BGCDRN Cc1cnc([C@H](C)Sc2nccs2)o1 ZINC000770635986 585578294 /nfs/dbraw/zinc/57/82/94/585578294.db2.gz ZHYFUJRFYPURMF-ZETCQYMHSA-N 0 0 226.326 3.293 20 10 BGCDRN Cc1ccncc1CSc1nccs1 ZINC000771148332 585591197 /nfs/dbraw/zinc/59/11/97/585591197.db2.gz VFJXSAOCCRUWDX-UHFFFAOYSA-N 0 0 222.338 3.139 20 10 BGCDRN Clc1cnccc1CSc1nccs1 ZINC000771751557 585599498 /nfs/dbraw/zinc/59/94/98/585599498.db2.gz QXZHWWRMYUAHTI-UHFFFAOYSA-N 0 0 242.756 3.484 20 10 BGCDRN Cc1ccc(CSc2nccs2)nc1 ZINC000771908827 585604193 /nfs/dbraw/zinc/60/41/93/585604193.db2.gz KQSBMVASVFPUTI-UHFFFAOYSA-N 0 0 222.338 3.139 20 10 BGCDRN COc1ccc2c(c1)CCN2Cc1ccc(C)o1 ZINC000772600812 585618533 /nfs/dbraw/zinc/61/85/33/585618533.db2.gz ZTUDIJILSXYURU-UHFFFAOYSA-N 0 0 243.306 3.159 20 10 BGCDRN CCCCC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773020860 585629551 /nfs/dbraw/zinc/62/95/51/585629551.db2.gz XNVCDYVTDZTDLT-GFCCVEGCSA-N 0 0 248.370 3.120 20 10 BGCDRN CCCCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773020861 585629579 /nfs/dbraw/zinc/62/95/79/585629579.db2.gz XNVCDYVTDZTDLT-LBPRGKRZSA-N 0 0 248.370 3.120 20 10 BGCDRN CCN(C)c1ccc(CN2CCC=C(F)C2)cc1 ZINC000773819101 585644524 /nfs/dbraw/zinc/64/45/24/585644524.db2.gz OIQDPCIKUHJJED-UHFFFAOYSA-N 0 0 248.345 3.202 20 10 BGCDRN COc1ccc(N(C)CC2(C)CCC2)cc1F ZINC000775056635 585671340 /nfs/dbraw/zinc/67/13/40/585671340.db2.gz KDIIVEJGXPNBEQ-UHFFFAOYSA-N 0 0 237.318 3.461 20 10 BGCDRN CN(CC1(C)CCC1)c1ccc2c(c1)OCO2 ZINC000775058429 585671262 /nfs/dbraw/zinc/67/12/62/585671262.db2.gz YUSRSMFTQRZVRE-UHFFFAOYSA-N 0 0 233.311 3.042 20 10 BGCDRN COc1ccc(N(C)CC2(C)CCC2)cc1OC ZINC000775063696 585671500 /nfs/dbraw/zinc/67/15/00/585671500.db2.gz ZFTCOEFAPNIXPC-UHFFFAOYSA-N 0 0 249.354 3.330 20 10 BGCDRN Cc1ccc(CSc2nccs2)c(C)n1 ZINC000775190388 585673368 /nfs/dbraw/zinc/67/33/68/585673368.db2.gz ICXVMXVMDGDYJI-UHFFFAOYSA-N 0 0 236.365 3.447 20 10 BGCDRN Oc1ccccc1CNc1cccc2cc[nH]c21 ZINC000775339820 585675933 /nfs/dbraw/zinc/67/59/33/585675933.db2.gz KQWYNKYGCKQBQG-UHFFFAOYSA-N 0 0 238.290 3.486 20 10 BGCDRN CCC[N@H+](CC)Cc1cc(Cl)cc(F)c1[O-] ZINC000775634031 585682129 /nfs/dbraw/zinc/68/21/29/585682129.db2.gz NZFSXBXRUCYEPX-UHFFFAOYSA-N 0 0 245.725 3.417 20 10 BGCDRN CC[NH+](CC)Cc1cc(Cl)cc(F)c1[O-] ZINC000775636573 585682098 /nfs/dbraw/zinc/68/20/98/585682098.db2.gz GGVLONUYGLKUOI-UHFFFAOYSA-N 0 0 231.698 3.027 20 10 BGCDRN CCCC[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775638273 585681860 /nfs/dbraw/zinc/68/18/60/585681860.db2.gz GULYXJNKNZIAGQ-UHFFFAOYSA-N 0 0 245.725 3.417 20 10 BGCDRN CC(C)[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775638532 585681895 /nfs/dbraw/zinc/68/18/95/585681895.db2.gz JYSVQFBLGQURPC-UHFFFAOYSA-N 0 0 231.698 3.025 20 10 BGCDRN CCC[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775647942 585682605 /nfs/dbraw/zinc/68/26/05/585682605.db2.gz IUHJVPFXYFPLND-UHFFFAOYSA-N 0 0 231.698 3.027 20 10 BGCDRN CC[N@H+](Cc1cc(Cl)cc(F)c1[O-])C(C)C ZINC000775648088 585682305 /nfs/dbraw/zinc/68/23/05/585682305.db2.gz QLUVVTUAMALUIT-UHFFFAOYSA-N 0 0 245.725 3.415 20 10 BGCDRN CC(C)C[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775649125 585682283 /nfs/dbraw/zinc/68/22/83/585682283.db2.gz LKQSPCFCPBDMKY-UHFFFAOYSA-N 0 0 245.725 3.273 20 10 BGCDRN CC[C@@H](C)[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775651595 585682426 /nfs/dbraw/zinc/68/24/26/585682426.db2.gz PFXVAZUQPUAGQS-MRVPVSSYSA-N 0 0 245.725 3.415 20 10 BGCDRN CC[C@H](C)[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775651596 585682410 /nfs/dbraw/zinc/68/24/10/585682410.db2.gz PFXVAZUQPUAGQS-QMMMGPOBSA-N 0 0 245.725 3.415 20 10 BGCDRN CCCC[N@H+](Cc1cccc(C)c1O)C1CC1 ZINC000775652025 585681665 /nfs/dbraw/zinc/68/16/65/585681665.db2.gz DWBSFRJLJFHQPF-UHFFFAOYSA-N 0 0 233.355 3.465 20 10 BGCDRN CC[N@H+](Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000775652506 585682274 /nfs/dbraw/zinc/68/22/74/585682274.db2.gz MEUXXFORYLGRKP-UHFFFAOYSA-N 0 0 243.709 3.169 20 10 BGCDRN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])CC1CC1 ZINC000775659073 585682328 /nfs/dbraw/zinc/68/23/28/585682328.db2.gz VETGAIVNTZFJKN-UHFFFAOYSA-N 0 0 243.709 3.027 20 10 BGCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775662324 585682722 /nfs/dbraw/zinc/68/27/22/585682722.db2.gz VJWXSDXCGRYRMM-MRVPVSSYSA-N 0 0 243.709 3.027 20 10 BGCDRN C[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775662325 585682697 /nfs/dbraw/zinc/68/26/97/585682697.db2.gz VJWXSDXCGRYRMM-QMMMGPOBSA-N 0 0 243.709 3.027 20 10 BGCDRN Cc1cc(Cl)cc(CN(C)CC(F)F)c1O ZINC000775664336 585682711 /nfs/dbraw/zinc/68/27/11/585682711.db2.gz SYRNASUFEZLOCJ-UHFFFAOYSA-N 0 0 249.688 3.051 20 10 BGCDRN C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775692947 585683149 /nfs/dbraw/zinc/68/31/49/585683149.db2.gz QZAKJKSLPBBACU-MRVPVSSYSA-N 0 0 243.709 3.169 20 10 BGCDRN C[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775692949 585683070 /nfs/dbraw/zinc/68/30/70/585683070.db2.gz QZAKJKSLPBBACU-QMMMGPOBSA-N 0 0 243.709 3.169 20 10 BGCDRN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C1CCC1 ZINC000775702606 585683307 /nfs/dbraw/zinc/68/33/07/585683307.db2.gz BNSNOBKXYCMXBN-UHFFFAOYSA-N 0 0 243.709 3.169 20 10 BGCDRN CC1(C)CC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000775703159 585683588 /nfs/dbraw/zinc/68/35/88/585683588.db2.gz LAPDIZLPYBACPJ-UHFFFAOYSA-N 0 0 225.719 3.030 20 10 BGCDRN CC1(C)CC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775703528 585683390 /nfs/dbraw/zinc/68/33/90/585683390.db2.gz RUWQCBGCKKLMHD-UHFFFAOYSA-N 0 0 243.709 3.169 20 10 BGCDRN CC[N@H+](Cc1cccc(Cl)c1[O-])C1CCC1 ZINC000775712233 585683513 /nfs/dbraw/zinc/68/35/13/585683513.db2.gz NWDNPUDQXBXYEL-UHFFFAOYSA-N 0 0 239.746 3.420 20 10 BGCDRN [O-]c1c(F)cc(Cl)cc1C[NH+]1CCCCC1 ZINC000775746928 585683482 /nfs/dbraw/zinc/68/34/82/585683482.db2.gz IDQDEMHQWKVSJQ-UHFFFAOYSA-N 0 0 243.709 3.171 20 10 BGCDRN CC(C)[C@H]1CC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000775763150 585684277 /nfs/dbraw/zinc/68/42/77/585684277.db2.gz DXBUZVFWNZSDGK-GFCCVEGCSA-N 0 0 239.746 3.276 20 10 BGCDRN CC(C)[C@@H]1CC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000775763153 585684090 /nfs/dbraw/zinc/68/40/90/585684090.db2.gz DXBUZVFWNZSDGK-LBPRGKRZSA-N 0 0 239.746 3.276 20 10 BGCDRN Cc1cccc2c1N(Cc1ccccc1O)CC2 ZINC000775974660 585688605 /nfs/dbraw/zinc/68/86/05/585688605.db2.gz ZLLSEDJYPAFHDG-UHFFFAOYSA-N 0 0 239.318 3.263 20 10 BGCDRN Cc1cccnc1NCc1cccc(Cl)c1O ZINC000776023316 585689521 /nfs/dbraw/zinc/68/95/21/585689521.db2.gz FVODQPMXUJPGPO-UHFFFAOYSA-N 0 0 248.713 3.361 20 10 BGCDRN Cc1ccc(NCc2cccc(Cl)c2O)nc1 ZINC000776032798 585689425 /nfs/dbraw/zinc/68/94/25/585689425.db2.gz MHLMDVYDWFEBKI-UHFFFAOYSA-N 0 0 248.713 3.361 20 10 BGCDRN CCc1cc(NCc2cc(C)c(C)cc2O)no1 ZINC000777519558 585713991 /nfs/dbraw/zinc/71/39/91/585713991.db2.gz GNGDZHCALUPMOD-UHFFFAOYSA-N 0 0 246.310 3.172 20 10 BGCDRN c1csc(SCc2ccc3c(c2)COC3)n1 ZINC000777922889 585723925 /nfs/dbraw/zinc/72/39/25/585723925.db2.gz PXGTXXAPCQIHPA-UHFFFAOYSA-N 0 0 249.360 3.466 20 10 BGCDRN Clc1ccc(CSc2nccs2)nc1 ZINC000777923340 585723914 /nfs/dbraw/zinc/72/39/14/585723914.db2.gz RGJWTPWUYWHQMI-UHFFFAOYSA-N 0 0 242.756 3.484 20 10 BGCDRN Oc1ccc2ccccc2c1C[N@H+]1CC=CCC1 ZINC000778576150 585737538 /nfs/dbraw/zinc/73/75/38/585737538.db2.gz BLKAJRSYYFSROH-UHFFFAOYSA-N 0 0 239.318 3.307 20 10 BGCDRN Oc1cc2c(cc1C[N@H+]1CC=CCC1)CCCC2 ZINC000778576883 585737330 /nfs/dbraw/zinc/73/73/30/585737330.db2.gz OBRXODKFOHNQDO-UHFFFAOYSA-N 0 0 243.350 3.033 20 10 BGCDRN Oc1ccc(F)cc1C[NH+](CC1CC1)CC1CC1 ZINC000779021060 585744380 /nfs/dbraw/zinc/74/43/80/585744380.db2.gz QSZITJWMKNWBRR-UHFFFAOYSA-N 0 0 249.329 3.153 20 10 BGCDRN COc1cccc(O)c1CN(C)c1ccccc1 ZINC000780753430 585784347 /nfs/dbraw/zinc/78/43/47/585784347.db2.gz GEKHRYRWFUDSPU-UHFFFAOYSA-N 0 0 243.306 3.037 20 10 BGCDRN COc1ccc2c(c1)CCCN2Cc1ccco1 ZINC000780766570 585784638 /nfs/dbraw/zinc/78/46/38/585784638.db2.gz IVEJOEXXIVXJBA-UHFFFAOYSA-N 0 0 243.306 3.241 20 10 BGCDRN COc1ccc2c(c1)CCCN2Cc1ccoc1 ZINC000780766711 585784581 /nfs/dbraw/zinc/78/45/81/585784581.db2.gz LDSNNRUMAXYOJI-UHFFFAOYSA-N 0 0 243.306 3.241 20 10 BGCDRN Cc1ccc2c(c1)CCN2Cc1ccccc1O ZINC000780768979 585784689 /nfs/dbraw/zinc/78/46/89/585784689.db2.gz KRBZCGBYYNCZNE-UHFFFAOYSA-N 0 0 239.318 3.263 20 10 BGCDRN Cc1ccc2c(c1)N(Cc1ccccc1O)CC2 ZINC000780772828 585784589 /nfs/dbraw/zinc/78/45/89/585784589.db2.gz IBUMYWJYKKMZEJ-UHFFFAOYSA-N 0 0 239.318 3.263 20 10 BGCDRN CCOc1ccc(N(C)Cc2cncs2)cc1 ZINC000780774246 585784617 /nfs/dbraw/zinc/78/46/17/585784617.db2.gz IXQXSJAYLGCHJB-UHFFFAOYSA-N 0 0 248.351 3.178 20 10 BGCDRN COc1ccc(N(C)Cc2occc2C)cc1F ZINC000780779423 585784688 /nfs/dbraw/zinc/78/46/88/585784688.db2.gz CWXYKSNUPWXDFA-UHFFFAOYSA-N 0 0 249.285 3.372 20 10 BGCDRN COc1ccc(N(C)Cc2ccoc2)cc1F ZINC000780779591 585784553 /nfs/dbraw/zinc/78/45/53/585784553.db2.gz NWZXIUSQGQYWFR-UHFFFAOYSA-N 0 0 235.258 3.064 20 10 BGCDRN Oc1ccc(Cl)cc1CN1CCC=C(F)C1 ZINC000780895579 585785758 /nfs/dbraw/zinc/78/57/58/585785758.db2.gz XSUZSIOGPYPZQS-UHFFFAOYSA-N 0 0 241.693 3.105 20 10 BGCDRN CCc1c[nH]c(Sc2ncc(Cl)s2)n1 ZINC000780911381 644735226 /nfs/dbraw/zinc/73/52/26/644735226.db2.gz NKNQBSIEFRPPCZ-UHFFFAOYSA-N 0 0 245.760 3.233 20 10 BGCDRN CC/C(C)=C(/C)C(=O)N(C)Cc1ccccc1O ZINC000780968413 585787590 /nfs/dbraw/zinc/78/75/90/585787590.db2.gz IGWZCBJEVZJTFC-QXMHVHEDSA-N 0 0 247.338 3.097 20 10 BGCDRN CC/C(C)=C(\C)C(=O)N(C)Cc1ccccc1O ZINC000780968415 585787422 /nfs/dbraw/zinc/78/74/22/585787422.db2.gz IGWZCBJEVZJTFC-VAWYXSNFSA-N 0 0 247.338 3.097 20 10 BGCDRN CCN(Cc1cnoc1C)c1ccc(OC)cc1 ZINC000782511806 585819158 /nfs/dbraw/zinc/81/91/58/585819158.db2.gz CDFJBCQVFMWVLK-UHFFFAOYSA-N 0 0 246.310 3.018 20 10 BGCDRN COc1ccc(N(C)Cc2cccs2)cc1 ZINC000782961608 585826550 /nfs/dbraw/zinc/82/65/50/585826550.db2.gz JJBLCOMBFMWOJU-UHFFFAOYSA-N 0 0 233.336 3.393 20 10 BGCDRN C[C@@H]1C[C@@H](CSc2nccs2)CCO1 ZINC000783125369 585828332 /nfs/dbraw/zinc/82/83/32/585828332.db2.gz LNSMDYQPZYWWSV-BDAKNGLRSA-N 0 0 229.370 3.050 20 10 BGCDRN C[C@H]1C[C@H](CSc2nccs2)CCO1 ZINC000783125376 585828178 /nfs/dbraw/zinc/82/81/78/585828178.db2.gz LNSMDYQPZYWWSV-DTWKUNHWSA-N 0 0 229.370 3.050 20 10 BGCDRN C[C@H]1C[C@@H](CSc2nccs2)CCO1 ZINC000783125378 585828149 /nfs/dbraw/zinc/82/81/49/585828149.db2.gz LNSMDYQPZYWWSV-IUCAKERBSA-N 0 0 229.370 3.050 20 10 BGCDRN C[C@@H]1C[C@H](CSc2nccs2)CCO1 ZINC000783125380 585828156 /nfs/dbraw/zinc/82/81/56/585828156.db2.gz LNSMDYQPZYWWSV-RKDXNWHRSA-N 0 0 229.370 3.050 20 10 BGCDRN c1cc(N2CCCC2)ccc1OCCC1CC1 ZINC000783558642 585837003 /nfs/dbraw/zinc/83/70/03/585837003.db2.gz CXLHXABKTUJCKX-UHFFFAOYSA-N 0 0 231.339 3.466 20 10 BGCDRN c1csc(SCCCc2ccncc2)n1 ZINC000785036924 644766340 /nfs/dbraw/zinc/76/63/40/644766340.db2.gz RMPVVAVPYNCROO-UHFFFAOYSA-N 0 0 236.365 3.263 20 10 BGCDRN Cc1cncc(CSc2nccs2)c1 ZINC000785451583 585874132 /nfs/dbraw/zinc/87/41/32/585874132.db2.gz AFMYOKRWMIHNAU-UHFFFAOYSA-N 0 0 222.338 3.139 20 10 BGCDRN Cc1nc(N(C)Cc2ccccc2O)sc1C ZINC000786796219 585897361 /nfs/dbraw/zinc/89/73/61/585897361.db2.gz CCJLKKOLZDJXGF-UHFFFAOYSA-N 0 0 248.351 3.102 20 10 BGCDRN CCc1csc(N(C)Cc2ccccc2O)n1 ZINC000786796543 585897656 /nfs/dbraw/zinc/89/76/56/585897656.db2.gz HCGSJCFKVGFBDC-UHFFFAOYSA-N 0 0 248.351 3.048 20 10 BGCDRN CC[C@H](NCc1cc(C)ccc1O)C(F)(F)F ZINC000786835044 585897742 /nfs/dbraw/zinc/89/77/42/585897742.db2.gz BGZJSXJMWARUCN-NSHDSACASA-N 0 0 247.260 3.131 20 10 BGCDRN CC(C)[C@H](NCc1ccccc1O)C(F)(F)F ZINC000786836688 585897719 /nfs/dbraw/zinc/89/77/19/585897719.db2.gz OHSNTKNXMQSPNR-NSHDSACASA-N 0 0 247.260 3.069 20 10 BGCDRN CC[C@H](N[C@H](C)c1ccccc1O)C(F)(F)F ZINC000786972574 585899270 /nfs/dbraw/zinc/89/92/70/585899270.db2.gz DLTYDHWSYXJZJS-KCJUWKMLSA-N 0 0 247.260 3.384 20 10 BGCDRN CC[C@H](N[C@@H](C)c1ccccc1O)C(F)(F)F ZINC000786972575 585899175 /nfs/dbraw/zinc/89/91/75/585899175.db2.gz DLTYDHWSYXJZJS-KWQFWETISA-N 0 0 247.260 3.384 20 10 BGCDRN CCOc1ccc(N(C)CC[C@@H]2CCCO2)cc1 ZINC000787251440 585904044 /nfs/dbraw/zinc/90/40/44/585904044.db2.gz OJIZQHUGXMUVMS-AWEZNQCLSA-N 0 0 249.354 3.091 20 10 BGCDRN CCOc1ccc(N(C)CC[C@H]2CCCO2)cc1 ZINC000787251442 585903895 /nfs/dbraw/zinc/90/38/95/585903895.db2.gz OJIZQHUGXMUVMS-CQSZACIVSA-N 0 0 249.354 3.091 20 10 BGCDRN CCN(CC[C@@H]1CCCO1)c1ccc(OC)cc1 ZINC000787261320 585904077 /nfs/dbraw/zinc/90/40/77/585904077.db2.gz LECQQFRCLIAGCZ-HNNXBMFYSA-N 0 0 249.354 3.091 20 10 BGCDRN CCN(CC[C@H]1CCCO1)c1ccc(OC)cc1 ZINC000787261323 585903947 /nfs/dbraw/zinc/90/39/47/585903947.db2.gz LECQQFRCLIAGCZ-OAHLLOKOSA-N 0 0 249.354 3.091 20 10 BGCDRN COc1ccc2c(c1)CCCN2CC1(C)CC1 ZINC000787269448 585904150 /nfs/dbraw/zinc/90/41/50/585904150.db2.gz CSXAULBQEYNNLJ-UHFFFAOYSA-N 0 0 231.339 3.248 20 10 BGCDRN COc1ccc(N(C)CC2(C)CC2)cc1F ZINC000787270052 585904054 /nfs/dbraw/zinc/90/40/54/585904054.db2.gz DQEGCYVRIKYBEJ-UHFFFAOYSA-N 0 0 223.291 3.071 20 10 BGCDRN CC[C@H](NCc1cccc(C)c1O)C(F)(F)F ZINC000787441563 585909559 /nfs/dbraw/zinc/90/95/59/585909559.db2.gz XRYHVJLRKDIOIJ-JTQLQIEISA-N 0 0 247.260 3.131 20 10 BGCDRN CCCC(C)(C)CC(=O)NCc1ccccc1O ZINC000787447385 585909474 /nfs/dbraw/zinc/90/94/74/585909474.db2.gz YAOLZRQEARPMPO-UHFFFAOYSA-N 0 0 249.354 3.225 20 10 BGCDRN Cc1nc(C)c(CSc2nccs2)o1 ZINC000788099252 585051184 /nfs/dbraw/zinc/05/11/84/585051184.db2.gz JVBHXBNIOBPGGI-UHFFFAOYSA-N 0 0 226.326 3.040 20 10 BGCDRN C[C@@H]([NH2+]C1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788498227 585925790 /nfs/dbraw/zinc/92/57/90/585925790.db2.gz LXZAZIJYUYDANK-SSDOTTSWSA-N 0 0 245.244 3.224 20 10 BGCDRN C[C@H]([NH2+]C1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788498228 585925907 /nfs/dbraw/zinc/92/59/07/585925907.db2.gz LXZAZIJYUYDANK-ZETCQYMHSA-N 0 0 245.244 3.224 20 10 BGCDRN CCOc1ccc(N(C)C[C@@H]2CC[C@@H](C)O2)cc1 ZINC000789325946 585939643 /nfs/dbraw/zinc/93/96/43/585939643.db2.gz KAGHNKRPOPMKHB-DOMZBBRYSA-N 0 0 249.354 3.089 20 10 BGCDRN CCOc1ccc(N(C)C[C@H]2CC[C@@H](C)O2)cc1 ZINC000789325952 585939601 /nfs/dbraw/zinc/93/96/01/585939601.db2.gz KAGHNKRPOPMKHB-IUODEOHRSA-N 0 0 249.354 3.089 20 10 BGCDRN CCOc1ccc(N(C)C[C@H]2CC[C@H](C)O2)cc1 ZINC000789325953 585939700 /nfs/dbraw/zinc/93/97/00/585939700.db2.gz KAGHNKRPOPMKHB-SWLSCSKDSA-N 0 0 249.354 3.089 20 10 BGCDRN CCOc1ccc(N(C)C[C@@H]2CC[C@H](C)O2)cc1 ZINC000789325954 585939829 /nfs/dbraw/zinc/93/98/29/585939829.db2.gz KAGHNKRPOPMKHB-WFASDCNBSA-N 0 0 249.354 3.089 20 10 BGCDRN CCN(C[C@@H]1CC[C@@H](C)O1)c1ccc(OC)cc1 ZINC000789341320 585940586 /nfs/dbraw/zinc/94/05/86/585940586.db2.gz GZEJAKFPVMYJLD-DOMZBBRYSA-N 0 0 249.354 3.089 20 10 BGCDRN CCN(C[C@H]1CC[C@@H](C)O1)c1ccc(OC)cc1 ZINC000789341323 585940680 /nfs/dbraw/zinc/94/06/80/585940680.db2.gz GZEJAKFPVMYJLD-IUODEOHRSA-N 0 0 249.354 3.089 20 10 BGCDRN CCN(C[C@H]1CC[C@H](C)O1)c1ccc(OC)cc1 ZINC000789341326 585940661 /nfs/dbraw/zinc/94/06/61/585940661.db2.gz GZEJAKFPVMYJLD-SWLSCSKDSA-N 0 0 249.354 3.089 20 10 BGCDRN CCN(C[C@@H]1CC[C@H](C)O1)c1ccc(OC)cc1 ZINC000789341328 585940506 /nfs/dbraw/zinc/94/05/06/585940506.db2.gz GZEJAKFPVMYJLD-WFASDCNBSA-N 0 0 249.354 3.089 20 10 BGCDRN Cc1ccnc(CSc2nccs2)c1 ZINC000790260465 585962026 /nfs/dbraw/zinc/96/20/26/585962026.db2.gz MWOXSNYRRXRKLG-UHFFFAOYSA-N 0 0 222.338 3.139 20 10 BGCDRN CC(C)=CC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000790695939 585967628 /nfs/dbraw/zinc/96/76/28/585967628.db2.gz DNSWEHDBMBUIDK-SECBINFHSA-N 0 0 241.281 3.287 20 10 BGCDRN CC(C)=CC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000790695943 585967686 /nfs/dbraw/zinc/96/76/86/585967686.db2.gz DNSWEHDBMBUIDK-VIFPVBQESA-N 0 0 241.281 3.287 20 10 BGCDRN CCCC[N@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000792156860 644792111 /nfs/dbraw/zinc/79/21/11/644792111.db2.gz OVUISISTYOZEAY-UHFFFAOYSA-N 0 0 245.725 3.417 20 10 BGCDRN CCC[N@H+](CC)Cc1c([O-])ccc(Cl)c1F ZINC000792163083 644792415 /nfs/dbraw/zinc/79/24/15/644792415.db2.gz WRGARAQSBHBLIU-UHFFFAOYSA-N 0 0 245.725 3.417 20 10 BGCDRN CC(C)C[N@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000792163360 644792503 /nfs/dbraw/zinc/79/25/03/644792503.db2.gz WZTVJSXHLTYDRT-UHFFFAOYSA-N 0 0 245.725 3.273 20 10 BGCDRN CC1(C)CC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000792164814 644792834 /nfs/dbraw/zinc/79/28/34/644792834.db2.gz FKYFTPIICLKFGE-UHFFFAOYSA-N 0 0 243.709 3.169 20 10 BGCDRN C[C@@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792167678 585997030 /nfs/dbraw/zinc/99/70/30/585997030.db2.gz YGBJMFNALMDEKO-MRVPVSSYSA-N 0 0 243.709 3.027 20 10 BGCDRN C[C@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792167679 585997015 /nfs/dbraw/zinc/99/70/15/585997015.db2.gz YGBJMFNALMDEKO-QMMMGPOBSA-N 0 0 243.709 3.027 20 10 BGCDRN COc1ccc(N(C)CCCCCF)cc1F ZINC000792869233 586006033 /nfs/dbraw/zinc/00/60/33/586006033.db2.gz AXPIAZUQLOIGTR-UHFFFAOYSA-N 0 0 243.297 3.410 20 10 BGCDRN COc1ccc(N(C)CC2(F)CC2)cc1Cl ZINC000793061219 586009449 /nfs/dbraw/zinc/00/94/49/586009449.db2.gz BLJCNFQKSHLGHY-UHFFFAOYSA-N 0 0 243.709 3.287 20 10 BGCDRN CC(C)Oc1ccc(N(C)CC2(F)CC2)cc1 ZINC000793184924 586013491 /nfs/dbraw/zinc/01/34/91/586013491.db2.gz AZAWKOBIMPKVMU-UHFFFAOYSA-N 0 0 237.318 3.412 20 10 BGCDRN CC(C)C1C[NH+](Cc2cccc(Cl)c2[O-])C1 ZINC000793191726 586013774 /nfs/dbraw/zinc/01/37/74/586013774.db2.gz LZYMJWFUZGNJQL-UHFFFAOYSA-N 0 0 239.746 3.133 20 10 BGCDRN CCOc1ccc(C[NH2+]CCC2(C)CC2)c(O)c1 ZINC000793199765 586013637 /nfs/dbraw/zinc/01/36/37/586013637.db2.gz VWZCMFRSERAHPC-UHFFFAOYSA-N 0 0 249.354 3.071 20 10 BGCDRN Cc1cc(Cl)cc(C[N@H+]2[C@H](C)C[C@@H]2C)c1O ZINC000793219588 586014184 /nfs/dbraw/zinc/01/41/84/586014184.db2.gz AHIPKORMEGFVCE-AOOOYVTPSA-N 0 0 239.746 3.337 20 10 BGCDRN C[C@@H]1C[C@@H](C)[NH+]1Cc1c([O-])ccc(Cl)c1F ZINC000793219983 586014408 /nfs/dbraw/zinc/01/44/08/586014408.db2.gz IVDUAYKBYCINJX-HTQZYQBOSA-N 0 0 243.709 3.167 20 10 BGCDRN C[C@@H]1C[C@H](C)[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000793219985 586014439 /nfs/dbraw/zinc/01/44/39/586014439.db2.gz IVDUAYKBYCINJX-OCAPTIKFSA-N 0 0 243.709 3.167 20 10 BGCDRN C[C@H]1C[C@H](C)[NH+]1Cc1c([O-])ccc(Cl)c1F ZINC000793219986 586014451 /nfs/dbraw/zinc/01/44/51/586014451.db2.gz IVDUAYKBYCINJX-YUMQZZPRSA-N 0 0 243.709 3.167 20 10 BGCDRN C[C@@H]1C[C@@H](C)[NH+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000793221010 586014427 /nfs/dbraw/zinc/01/44/27/586014427.db2.gz UGXXICHAIOOMDS-HTQZYQBOSA-N 0 0 243.709 3.167 20 10 BGCDRN C[C@@H]1C[C@H](C)[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000793221012 586014584 /nfs/dbraw/zinc/01/45/84/586014584.db2.gz UGXXICHAIOOMDS-OCAPTIKFSA-N 0 0 243.709 3.167 20 10 BGCDRN C[C@H]1C[C@H](C)[NH+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000793221013 586014560 /nfs/dbraw/zinc/01/45/60/586014560.db2.gz UGXXICHAIOOMDS-YUMQZZPRSA-N 0 0 243.709 3.167 20 10 BGCDRN C[C@@H]1C[C@H](C)[N@H+]1Cc1c(O)cccc1Cl ZINC000793228135 586014612 /nfs/dbraw/zinc/01/46/12/586014612.db2.gz JVNFSNRHZSYWPT-DTORHVGOSA-N 0 0 225.719 3.028 20 10 BGCDRN C[C@@H]1C[C@H](C)[N@H+]1Cc1cc(Cl)ccc1O ZINC000793228810 586014671 /nfs/dbraw/zinc/01/46/71/586014671.db2.gz RNINJILBHXZGIS-DTORHVGOSA-N 0 0 225.719 3.028 20 10 BGCDRN COc1ccc2c(c1)CCCN2CC(C)C ZINC000793598710 586023831 /nfs/dbraw/zinc/02/38/31/586023831.db2.gz BFFIYFJWZQKTMP-UHFFFAOYSA-N 0 0 219.328 3.104 20 10 BGCDRN FCCCCOc1ccc(N2CCCC2)cc1 ZINC000795215470 586072483 /nfs/dbraw/zinc/07/24/83/586072483.db2.gz QXBBTONUTXTLAN-UHFFFAOYSA-N 0 0 237.318 3.415 20 10 BGCDRN COc1ccc2c(c1)CCCN2CCCCF ZINC000795861833 586093738 /nfs/dbraw/zinc/09/37/38/586093738.db2.gz OQJJMEJWCQIKCC-UHFFFAOYSA-N 0 0 237.318 3.198 20 10 BGCDRN CCOc1ccc(N(C)CCCCF)cc1 ZINC000795915838 586094599 /nfs/dbraw/zinc/09/45/99/586094599.db2.gz DPQSLEWSUVEJSA-UHFFFAOYSA-N 0 0 225.307 3.271 20 10 BGCDRN CCN(CCCCF)c1ccc(OC)cc1 ZINC000795942626 586094868 /nfs/dbraw/zinc/09/48/68/586094868.db2.gz AMUATHPKTXASFU-UHFFFAOYSA-N 0 0 225.307 3.271 20 10 BGCDRN COc1ccc(N(C)CCC(C)C)cc1 ZINC000796506269 586105441 /nfs/dbraw/zinc/10/54/41/586105441.db2.gz XTQMJWDJFDHVTG-UHFFFAOYSA-N 0 0 207.317 3.178 20 10 BGCDRN CC[C@@H]([NH2+]CC1CCC1)c1ccc(F)cc1[O-] ZINC000796708196 586110541 /nfs/dbraw/zinc/11/05/41/586110541.db2.gz QENAJQUJKGBGLA-CYBMUJFWSA-N 0 0 237.318 3.372 20 10 BGCDRN CC[C@H]([NH2+]CC1CCC1)c1ccc(F)cc1[O-] ZINC000796708198 586110469 /nfs/dbraw/zinc/11/04/69/586110469.db2.gz QENAJQUJKGBGLA-ZDUSSCGKSA-N 0 0 237.318 3.372 20 10 BGCDRN CC[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccc(F)cc1[O-] ZINC000796710083 586110399 /nfs/dbraw/zinc/11/03/99/586110399.db2.gz OTITWJYYAGYVHH-BREBYQMCSA-N 0 0 237.318 3.228 20 10 BGCDRN CC[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccc(F)cc1[O-] ZINC000796710085 586110405 /nfs/dbraw/zinc/11/04/05/586110405.db2.gz OTITWJYYAGYVHH-CWSCBRNRSA-N 0 0 237.318 3.228 20 10 BGCDRN CC[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccc(F)cc1[O-] ZINC000796710086 586110543 /nfs/dbraw/zinc/11/05/43/586110543.db2.gz OTITWJYYAGYVHH-KWBADKCTSA-N 0 0 237.318 3.228 20 10 BGCDRN CC[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccc(F)cc1[O-] ZINC000796710088 586110533 /nfs/dbraw/zinc/11/05/33/586110533.db2.gz OTITWJYYAGYVHH-NRUUGDAUSA-N 0 0 237.318 3.228 20 10 BGCDRN CC[C@@H]([NH2+]C1CC=CC1)c1ccc(F)cc1[O-] ZINC000796795298 586113118 /nfs/dbraw/zinc/11/31/18/586113118.db2.gz KBLVLPJVWRHRJZ-CYBMUJFWSA-N 0 0 235.302 3.291 20 10 BGCDRN CC[C@H]([NH2+]C1CC=CC1)c1ccc(F)cc1[O-] ZINC000796795299 586113124 /nfs/dbraw/zinc/11/31/24/586113124.db2.gz KBLVLPJVWRHRJZ-ZDUSSCGKSA-N 0 0 235.302 3.291 20 10 BGCDRN CC[C@H]([NH2+]C1CC(C)C1)c1ccc(F)cc1[O-] ZINC000796818495 586113645 /nfs/dbraw/zinc/11/36/45/586113645.db2.gz NSSWPADXHAITAP-OCTTZUBCSA-N 0 0 237.318 3.371 20 10 BGCDRN CC[C@@H]([NH2+]C1CC(C)C1)c1ccc(F)cc1[O-] ZINC000796818499 586113648 /nfs/dbraw/zinc/11/36/48/586113648.db2.gz NSSWPADXHAITAP-QEIKUCIBSA-N 0 0 237.318 3.371 20 10 BGCDRN CC[C@@H]([NH2+]CC1(C)CC1)c1ccc(F)cc1[O-] ZINC000796826359 586113719 /nfs/dbraw/zinc/11/37/19/586113719.db2.gz LREHOVHBRAMYHO-GFCCVEGCSA-N 0 0 237.318 3.372 20 10 BGCDRN CC[C@H]([NH2+]CC1(C)CC1)c1ccc(F)cc1[O-] ZINC000796826753 586113698 /nfs/dbraw/zinc/11/36/98/586113698.db2.gz LREHOVHBRAMYHO-LBPRGKRZSA-N 0 0 237.318 3.372 20 10 BGCDRN CC[C@@H]([NH2+]CCC1CC1)c1ccc(F)cc1[O-] ZINC000796830044 586114014 /nfs/dbraw/zinc/11/40/14/586114014.db2.gz YUVPJKNPGBHYNQ-CYBMUJFWSA-N 0 0 237.318 3.372 20 10 BGCDRN CC[C@H]([NH2+]CCC1CC1)c1ccc(F)cc1[O-] ZINC000796830046 586114060 /nfs/dbraw/zinc/11/40/60/586114060.db2.gz YUVPJKNPGBHYNQ-ZDUSSCGKSA-N 0 0 237.318 3.372 20 10 BGCDRN CC[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccc(F)cc1[O-] ZINC000797131784 586120790 /nfs/dbraw/zinc/12/07/90/586120790.db2.gz YKUQLYVBLCFHFG-ICCXJUOJSA-N 0 0 237.318 3.371 20 10 BGCDRN CC[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccc(F)cc1[O-] ZINC000797131786 586120897 /nfs/dbraw/zinc/12/08/97/586120897.db2.gz YKUQLYVBLCFHFG-JIMOISOXSA-N 0 0 237.318 3.371 20 10 BGCDRN CC[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000797131788 586120798 /nfs/dbraw/zinc/12/07/98/586120798.db2.gz YKUQLYVBLCFHFG-TVYUQYBPSA-N 0 0 237.318 3.371 20 10 BGCDRN CC[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000797131790 586120727 /nfs/dbraw/zinc/12/07/27/586120727.db2.gz YKUQLYVBLCFHFG-XDTLVQLUSA-N 0 0 237.318 3.371 20 10 BGCDRN c1csc(SCCOC2CCCC2)n1 ZINC000797613250 586129719 /nfs/dbraw/zinc/12/97/19/586129719.db2.gz IUUYJTNTSXKKDX-UHFFFAOYSA-N 0 0 229.370 3.194 20 10 BGCDRN CN(C)c1ccc(OCCc2ccccc2)cc1 ZINC000798219057 586141097 /nfs/dbraw/zinc/14/10/97/586141097.db2.gz CZOSPOCJZIUBJX-UHFFFAOYSA-N 0 0 241.334 3.374 20 10 BGCDRN C[C@@H](O)CCSc1ncc(C(C)(C)C)s1 ZINC000798234334 586141552 /nfs/dbraw/zinc/14/15/52/586141552.db2.gz MEXPTOKYBWDIAP-MRVPVSSYSA-N 0 0 245.413 3.304 20 10 BGCDRN C[C@H](O)CCSc1ncc(C(C)(C)C)s1 ZINC000798234335 586141463 /nfs/dbraw/zinc/14/14/63/586141463.db2.gz MEXPTOKYBWDIAP-QMMMGPOBSA-N 0 0 245.413 3.304 20 10 BGCDRN Cc1cc(O)c(CNc2cncc(F)c2)cc1C ZINC000798430321 586143912 /nfs/dbraw/zinc/14/39/12/586143912.db2.gz MKZUZGYPBMQCII-UHFFFAOYSA-N 0 0 246.285 3.155 20 10 BGCDRN CC1(C)CCC[C@@H]1OC(=O)C1=CC(=O)CS1 ZINC000799487029 586180013 /nfs/dbraw/zinc/18/00/13/586180013.db2.gz ZLGGSXGLDUNPSU-JTQLQIEISA-N 0 0 240.324 3.189 20 10 BGCDRN CC1(C)CCC[C@H]1OC(=O)C1=CC(=O)CS1 ZINC000799487030 586179817 /nfs/dbraw/zinc/17/98/17/586179817.db2.gz ZLGGSXGLDUNPSU-SNVBAGLBSA-N 0 0 240.324 3.189 20 10 BGCDRN CC(C)=CCSc1ncc([N+](=O)[O-])s1 ZINC000799959792 586203716 /nfs/dbraw/zinc/20/37/16/586203716.db2.gz KUTKDGXOKWYLGY-UHFFFAOYSA-N 0 0 230.314 3.110 20 10 BGCDRN CCC[C@@H](C)N1CCOc2cc(N(C)C)ccc21 ZINC000800367241 586213941 /nfs/dbraw/zinc/21/39/41/586213941.db2.gz VRZMDICPRFQUER-GFCCVEGCSA-N 0 0 248.370 3.140 20 10 BGCDRN CCC[C@H](C)N1CCOc2cc(N(C)C)ccc21 ZINC000800367243 586214412 /nfs/dbraw/zinc/21/44/12/586214412.db2.gz VRZMDICPRFQUER-LBPRGKRZSA-N 0 0 248.370 3.140 20 10 BGCDRN Cc1ccc(O)c([C@@H](C)NC2(C(F)F)CC2)c1 ZINC000800502305 586223457 /nfs/dbraw/zinc/22/34/57/586223457.db2.gz RMSOHCQJRJFHEB-SECBINFHSA-N 0 0 241.281 3.149 20 10 BGCDRN Cc1ccc(O)c([C@H](C)NC2(C(F)F)CC2)c1 ZINC000800502306 586223897 /nfs/dbraw/zinc/22/38/97/586223897.db2.gz RMSOHCQJRJFHEB-VIFPVBQESA-N 0 0 241.281 3.149 20 10 BGCDRN Cc1ccc([C@@H](C)NC2(C(F)F)CC2)c(O)c1 ZINC000800502438 586223794 /nfs/dbraw/zinc/22/37/94/586223794.db2.gz SMJIDXGXPQDSMA-SECBINFHSA-N 0 0 241.281 3.149 20 10 BGCDRN Cc1ccc([C@H](C)NC2(C(F)F)CC2)c(O)c1 ZINC000800502439 586223943 /nfs/dbraw/zinc/22/39/43/586223943.db2.gz SMJIDXGXPQDSMA-VIFPVBQESA-N 0 0 241.281 3.149 20 10 BGCDRN CC[C@H](NC1(C(F)F)CC1)c1ccccc1O ZINC000800502861 586223474 /nfs/dbraw/zinc/22/34/74/586223474.db2.gz YMIQVCHSDYCXLU-JTQLQIEISA-N 0 0 241.281 3.231 20 10 BGCDRN CC[C@@H](NC1(C(F)F)CC1)c1ccccc1O ZINC000800502862 586223440 /nfs/dbraw/zinc/22/34/40/586223440.db2.gz YMIQVCHSDYCXLU-SNVBAGLBSA-N 0 0 241.281 3.231 20 10 BGCDRN Oc1ccccc1CN1CCCC[C@@H]1C(F)F ZINC000800533487 586224236 /nfs/dbraw/zinc/22/42/36/586224236.db2.gz PDWORBYXZANFPF-LLVKDONJSA-N 0 0 241.281 3.012 20 10 BGCDRN Oc1ccccc1CN1CCCC[C@H]1C(F)F ZINC000800533488 586224310 /nfs/dbraw/zinc/22/43/10/586224310.db2.gz PDWORBYXZANFPF-NSHDSACASA-N 0 0 241.281 3.012 20 10 BGCDRN C/C=C/C(=O)N(CCCC)Cc1ccccc1O ZINC000801548908 586262014 /nfs/dbraw/zinc/26/20/14/586262014.db2.gz WNQJTHNNPYILNO-XBXARRHUSA-N 0 0 247.338 3.097 20 10 BGCDRN C/C=C\C(=O)N(CCCC)Cc1ccccc1O ZINC000801548909 586261566 /nfs/dbraw/zinc/26/15/66/586261566.db2.gz WNQJTHNNPYILNO-YWEYNIOJSA-N 0 0 247.338 3.097 20 10 BGCDRN CC1C[NH+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000802651590 586307524 /nfs/dbraw/zinc/30/75/24/586307524.db2.gz RMEYETFCMZQHLP-UHFFFAOYSA-N 0 0 246.137 3.151 20 10 BGCDRN Oc1ccccc1CN1CCc2cc(F)ccc21 ZINC000802657690 586308820 /nfs/dbraw/zinc/30/88/20/586308820.db2.gz NQMOUCIEYIFBEH-UHFFFAOYSA-N 0 0 243.281 3.094 20 10 BGCDRN Cc1ccnc(NCc2ccccc2O)c1Cl ZINC000804398285 586394596 /nfs/dbraw/zinc/39/45/96/586394596.db2.gz FKAXQKMOARLEGH-UHFFFAOYSA-N 0 0 248.713 3.361 20 10 BGCDRN CCOc1ccc(N(C)CCOC2CCC2)cc1 ZINC000805742921 585831126 /nfs/dbraw/zinc/83/11/26/585831126.db2.gz FHPYAKKNMGSPBD-UHFFFAOYSA-N 0 0 249.354 3.091 20 10 BGCDRN CCN(CCOC1CCC1)c1ccc(OC)cc1 ZINC000805743238 585832265 /nfs/dbraw/zinc/83/22/65/585832265.db2.gz FHFLPJAXXLBRCL-UHFFFAOYSA-N 0 0 249.354 3.091 20 10 BGCDRN COc1ccc2c(c1)CCCN2C/C=C\Cl ZINC000807287575 586431559 /nfs/dbraw/zinc/43/15/59/586431559.db2.gz LNIFUPLBMNUCKR-CLTKARDFSA-N 0 0 237.730 3.200 20 10 BGCDRN COc1ccc2c(c1)CCCN2C/C=C/Cl ZINC000807287578 586431508 /nfs/dbraw/zinc/43/15/08/586431508.db2.gz LNIFUPLBMNUCKR-XVNBXDOJSA-N 0 0 237.730 3.200 20 10 BGCDRN CC(=O)C(=O)CSc1ccc2ccccc2c1 ZINC000808011145 586459127 /nfs/dbraw/zinc/45/91/27/586459127.db2.gz JVLYRLZQBHTNMM-UHFFFAOYSA-N 0 0 244.315 3.090 20 10 BGCDRN CC[C@@H](SCC(=O)C(C)=O)c1ccccc1 ZINC000808024991 586459555 /nfs/dbraw/zinc/45/95/55/586459555.db2.gz YLCZZPVVMNZXOE-CYBMUJFWSA-N 0 0 236.336 3.029 20 10 BGCDRN 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/nfs/dbraw/zinc/53/01/99/586530199.db2.gz CRQQAMBOXZQBEQ-NSHDSACASA-N 0 0 207.317 3.178 20 10 BGCDRN Cc1cnc(COc2ccc(N(C)C)cc2)s1 ZINC000810000695 586530475 /nfs/dbraw/zinc/53/04/75/586530475.db2.gz KHVVKHFXHKINNS-UHFFFAOYSA-N 0 0 248.351 3.097 20 10 BGCDRN CC(C)SCCOc1ccc(N(C)C)cc1 ZINC000810000915 586530379 /nfs/dbraw/zinc/53/03/79/586530379.db2.gz RAULBVKRXJXVKT-UHFFFAOYSA-N 0 0 239.384 3.273 20 10 BGCDRN CN(C)c1ccc(OCC2CCCC2)cc1 ZINC000810001036 586530527 /nfs/dbraw/zinc/53/05/27/586530527.db2.gz UXSWDCPCVWWVLR-UHFFFAOYSA-N 0 0 219.328 3.322 20 10 BGCDRN CN(C)c1ccc(OCC[C@@H]2CCCCO2)cc1 ZINC000810001326 586530127 /nfs/dbraw/zinc/53/01/27/586530127.db2.gz BHOLNNQCVLKHCI-AWEZNQCLSA-N 0 0 249.354 3.091 20 10 BGCDRN CN(C)c1ccc(OCC[C@H]2CCCCO2)cc1 ZINC000810001327 586530028 /nfs/dbraw/zinc/53/00/28/586530028.db2.gz BHOLNNQCVLKHCI-CQSZACIVSA-N 0 0 249.354 3.091 20 10 BGCDRN CN(C)c1ccc(OCCCCCF)cc1 ZINC000810001493 586530490 /nfs/dbraw/zinc/53/04/90/586530490.db2.gz FCWDBIUOOYCCAX-UHFFFAOYSA-N 0 0 225.307 3.271 20 10 BGCDRN Cc1ccnc(COc2ccc(N(C)C)cc2)c1 ZINC000810001508 586530411 /nfs/dbraw/zinc/53/04/11/586530411.db2.gz FNEVXHVRDXCJSO-UHFFFAOYSA-N 0 0 242.322 3.035 20 10 BGCDRN Cc1ncccc1COc1ccc(N(C)C)cc1 ZINC000810001859 586530306 /nfs/dbraw/zinc/53/03/06/586530306.db2.gz NGYYMXYGUBNNHT-UHFFFAOYSA-N 0 0 242.322 3.035 20 10 BGCDRN CC(C)=CCOc1ccc(N(C)C)cc1 ZINC000810002013 586530656 /nfs/dbraw/zinc/53/06/56/586530656.db2.gz QFDZKNGFMXLFKJ-UHFFFAOYSA-N 0 0 205.301 3.098 20 10 BGCDRN CN(C)c1ccc(OC/C(Cl)=C/Cl)cc1 ZINC000810002014 586530618 /nfs/dbraw/zinc/53/06/18/586530618.db2.gz QHFSFUCYGXPSEW-CLFYSBASSA-N 0 0 246.137 3.450 20 10 BGCDRN CN(C)c1ccc(OC/C(Cl)=C\Cl)cc1 ZINC000810002015 586530365 /nfs/dbraw/zinc/53/03/65/586530365.db2.gz QHFSFUCYGXPSEW-VQHVLOKHSA-N 0 0 246.137 3.450 20 10 BGCDRN CC/C=C/CCOc1ccc(N(C)C)cc1 ZINC000810002453 586530589 /nfs/dbraw/zinc/53/05/89/586530589.db2.gz XVDKVQDPTLMDPS-AATRIKPKSA-N 0 0 219.328 3.488 20 10 BGCDRN CC/C=C\CCOc1ccc(N(C)C)cc1 ZINC000810002454 586530432 /nfs/dbraw/zinc/53/04/32/586530432.db2.gz XVDKVQDPTLMDPS-WAYWQWQTSA-N 0 0 219.328 3.488 20 10 BGCDRN CCCC[C@@H](C)N(C)C(=O)C1=CC(=O)CS1 ZINC000812381588 586575047 /nfs/dbraw/zinc/57/50/47/586575047.db2.gz YABZGPYOHKUBRD-SECBINFHSA-N 0 0 241.356 3.104 20 10 BGCDRN CCCC[C@H](C)N(C)C(=O)C1=CC(=O)CS1 ZINC000812381589 586575109 /nfs/dbraw/zinc/57/51/09/586575109.db2.gz YABZGPYOHKUBRD-VIFPVBQESA-N 0 0 241.356 3.104 20 10 BGCDRN CCCc1nsc(Sc2nccs2)n1 ZINC000812455811 586577671 /nfs/dbraw/zinc/57/76/71/586577671.db2.gz TUHFEMJQTGIAEL-UHFFFAOYSA-N 0 0 243.382 3.098 20 10 BGCDRN CC[C@@H]([NH2+]CCCCF)c1ccc(F)cc1[O-] ZINC000812736342 586583487 /nfs/dbraw/zinc/58/34/87/586583487.db2.gz LJWZAFOYLRFXQH-GFCCVEGCSA-N 0 0 243.297 3.322 20 10 BGCDRN CC[C@H]([NH2+]CCCCF)c1ccc(F)cc1[O-] ZINC000812736344 586583508 /nfs/dbraw/zinc/58/35/08/586583508.db2.gz LJWZAFOYLRFXQH-LBPRGKRZSA-N 0 0 243.297 3.322 20 10 BGCDRN C[C@@H]([NH2+]CCCCF)c1cc(F)cc(F)c1[O-] ZINC000812736367 586583529 /nfs/dbraw/zinc/58/35/29/586583529.db2.gz LWYFBCGPMXUYSU-MRVPVSSYSA-N 0 0 247.260 3.071 20 10 BGCDRN C[C@H]([NH2+]CCCCF)c1cc(F)cc(F)c1[O-] ZINC000812736369 586583497 /nfs/dbraw/zinc/58/34/97/586583497.db2.gz LWYFBCGPMXUYSU-QMMMGPOBSA-N 0 0 247.260 3.071 20 10 BGCDRN Cc1cnc([C@@H](C)Sc2nccs2)cn1 ZINC000813570666 586603700 /nfs/dbraw/zinc/60/37/00/586603700.db2.gz RXEXGYQKIVIJRA-MRVPVSSYSA-N 0 0 237.353 3.095 20 10 BGCDRN Cc1cnc([C@H](C)Sc2nccs2)cn1 ZINC000813570675 586603570 /nfs/dbraw/zinc/60/35/70/586603570.db2.gz RXEXGYQKIVIJRA-QMMMGPOBSA-N 0 0 237.353 3.095 20 10 BGCDRN CC[C@@H]1CC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000814178846 586616083 /nfs/dbraw/zinc/61/60/83/586616083.db2.gz FYWKQPRAOWXSBG-MRVPVSSYSA-N 0 0 243.709 3.169 20 10 BGCDRN CC[C@H]1CC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000814178847 586615822 /nfs/dbraw/zinc/61/58/22/586615822.db2.gz FYWKQPRAOWXSBG-QMMMGPOBSA-N 0 0 243.709 3.169 20 10 BGCDRN CC[C@H]1CC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000814179039 586615784 /nfs/dbraw/zinc/61/57/84/586615784.db2.gz NVHIPZBLIWSWNZ-JTQLQIEISA-N 0 0 243.709 3.169 20 10 BGCDRN CC[C@@H]1CC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000814179040 586615817 /nfs/dbraw/zinc/61/58/17/586615817.db2.gz NVHIPZBLIWSWNZ-SNVBAGLBSA-N 0 0 243.709 3.169 20 10 BGCDRN CCc1ccc(CSc2nccs2)nc1 ZINC000814744455 586631736 /nfs/dbraw/zinc/63/17/36/586631736.db2.gz VCTVJLBXDVNZID-UHFFFAOYSA-N 0 0 236.365 3.393 20 10 BGCDRN Cc1nc(Sc2ncc(Cl)s2)[nH]c1C ZINC000814903729 586647192 /nfs/dbraw/zinc/64/71/92/586647192.db2.gz XTZFOTXQHCQWGW-UHFFFAOYSA-N 0 0 245.760 3.288 20 10 BGCDRN Cc1cc(CN2CCC=C(F)C2)ccc1N(C)C ZINC000815079351 586666042 /nfs/dbraw/zinc/66/60/42/586666042.db2.gz REPDIBIOJSRWJS-UHFFFAOYSA-N 0 0 248.345 3.120 20 10 BGCDRN CCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815552918 586687926 /nfs/dbraw/zinc/68/79/26/586687926.db2.gz NPRHCJBEHJEWNN-MRVPVSSYSA-N 0 0 247.260 3.472 20 10 BGCDRN CCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815552919 586687936 /nfs/dbraw/zinc/68/79/36/586687936.db2.gz NPRHCJBEHJEWNN-QMMMGPOBSA-N 0 0 247.260 3.472 20 10 BGCDRN Cc1ccc([C@H](C)NCC(C)(F)F)c(O)c1C ZINC000815644483 586690396 /nfs/dbraw/zinc/69/03/96/586690396.db2.gz CLJURVCJEOKUQQ-JTQLQIEISA-N 0 0 243.297 3.315 20 10 BGCDRN Cc1ccc([C@@H](C)NCC(C)(F)F)c(O)c1C ZINC000815644484 586690024 /nfs/dbraw/zinc/69/00/24/586690024.db2.gz CLJURVCJEOKUQQ-SNVBAGLBSA-N 0 0 243.297 3.315 20 10 BGCDRN Cc1cc(C)c([C@H](C)NCC(C)(F)F)c(O)c1 ZINC000815645015 586690244 /nfs/dbraw/zinc/69/02/44/586690244.db2.gz SGFDWXAKVLQCOV-JTQLQIEISA-N 0 0 243.297 3.315 20 10 BGCDRN Cc1cc(C)c([C@@H](C)NCC(C)(F)F)c(O)c1 ZINC000815645016 586690058 /nfs/dbraw/zinc/69/00/58/586690058.db2.gz SGFDWXAKVLQCOV-SNVBAGLBSA-N 0 0 243.297 3.315 20 10 BGCDRN CC[C@@H](NCC(C)(F)F)c1ccc(C)cc1O ZINC000815645061 586690053 /nfs/dbraw/zinc/69/00/53/586690053.db2.gz TWMMRSLOFCIBDT-LLVKDONJSA-N 0 0 243.297 3.397 20 10 BGCDRN CC[C@H](NCC(C)(F)F)c1ccc(C)cc1O ZINC000815645062 586690454 /nfs/dbraw/zinc/69/04/54/586690454.db2.gz TWMMRSLOFCIBDT-NSHDSACASA-N 0 0 243.297 3.397 20 10 BGCDRN CC[C@H](NCC(C)(F)F)c1ccc(F)cc1O ZINC000815645179 586690026 /nfs/dbraw/zinc/69/00/26/586690026.db2.gz XKPDHULMVWXUTK-JTQLQIEISA-N 0 0 247.260 3.227 20 10 BGCDRN CC[C@@H](NCC(C)(F)F)c1ccc(F)cc1O ZINC000815645180 586690463 /nfs/dbraw/zinc/69/04/63/586690463.db2.gz XKPDHULMVWXUTK-SNVBAGLBSA-N 0 0 247.260 3.227 20 10 BGCDRN CC[C@@H]([NH2+]CC[C@@H](C)F)c1ccc(F)cc1[O-] ZINC000815645537 643529612 /nfs/dbraw/zinc/52/96/12/643529612.db2.gz IXWDAZIDGJIRBS-BXKDBHETSA-N 0 0 243.297 3.320 20 10 BGCDRN CC[C@H]([NH2+]CC[C@H](C)F)c1ccc(F)cc1[O-] ZINC000815645538 643527862 /nfs/dbraw/zinc/52/78/62/643527862.db2.gz IXWDAZIDGJIRBS-CABZTGNLSA-N 0 0 243.297 3.320 20 10 BGCDRN CC[C@@H]([NH2+]CC[C@H](C)F)c1ccc(F)cc1[O-] ZINC000815645539 643529501 /nfs/dbraw/zinc/52/95/01/643529501.db2.gz IXWDAZIDGJIRBS-JOYOIKCWSA-N 0 0 243.297 3.320 20 10 BGCDRN CC[C@H]([NH2+]CC[C@@H](C)F)c1ccc(F)cc1[O-] ZINC000815645540 643529634 /nfs/dbraw/zinc/52/96/34/643529634.db2.gz IXWDAZIDGJIRBS-SKDRFNHKSA-N 0 0 243.297 3.320 20 10 BGCDRN C[C@@H](F)CC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000815645542 586690056 /nfs/dbraw/zinc/69/00/56/586690056.db2.gz JBGBCCQDURPVRJ-HTQZYQBOSA-N 0 0 247.260 3.069 20 10 BGCDRN C[C@@H]([NH2+]CC[C@H](C)F)c1cc(F)cc(F)c1[O-] ZINC000815645543 586690473 /nfs/dbraw/zinc/69/04/73/586690473.db2.gz JBGBCCQDURPVRJ-JGVFFNPUSA-N 0 0 247.260 3.069 20 10 BGCDRN C[C@@H](F)CC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000815645544 586690239 /nfs/dbraw/zinc/69/02/39/586690239.db2.gz JBGBCCQDURPVRJ-SFYZADRCSA-N 0 0 247.260 3.069 20 10 BGCDRN C[C@H](F)CC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000815645545 586690383 /nfs/dbraw/zinc/69/03/83/586690383.db2.gz JBGBCCQDURPVRJ-YUMQZZPRSA-N 0 0 247.260 3.069 20 10 BGCDRN CC(C)[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816480210 586735515 /nfs/dbraw/zinc/73/55/15/586735515.db2.gz GUFFUADFEQYBQQ-UHFFFAOYSA-N 0 0 231.698 3.025 20 10 BGCDRN CC[NH+](CC)Cc1cc(Cl)c(F)cc1[O-] ZINC000816480648 586735886 /nfs/dbraw/zinc/73/58/86/586735886.db2.gz SOMOBXVMWUQHAU-UHFFFAOYSA-N 0 0 231.698 3.027 20 10 BGCDRN CCC[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816483917 586736232 /nfs/dbraw/zinc/73/62/32/586736232.db2.gz JVWPMBWAHQOHRJ-UHFFFAOYSA-N 0 0 231.698 3.027 20 10 BGCDRN CC(C)C[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816483918 586736225 /nfs/dbraw/zinc/73/62/25/586736225.db2.gz JWGRFDSPSLHTTO-UHFFFAOYSA-N 0 0 245.725 3.273 20 10 BGCDRN CC[N@H+](Cc1cc(Cl)c(F)cc1[O-])C(C)C ZINC000816484011 586736312 /nfs/dbraw/zinc/73/63/12/586736312.db2.gz NALKYPCPRQMGLK-UHFFFAOYSA-N 0 0 245.725 3.415 20 10 BGCDRN CC[N@H+](Cc1cc(Cl)c(F)cc1[O-])C1CC1 ZINC000816485970 586736239 /nfs/dbraw/zinc/73/62/39/586736239.db2.gz ILHYPPMVCBEFPM-UHFFFAOYSA-N 0 0 243.709 3.169 20 10 BGCDRN CC[C@@H](C)[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816487402 586736293 /nfs/dbraw/zinc/73/62/93/586736293.db2.gz MEZZKHUBYPXJSI-MRVPVSSYSA-N 0 0 245.725 3.415 20 10 BGCDRN CC[C@H](C)[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816487403 586735753 /nfs/dbraw/zinc/73/57/53/586735753.db2.gz MEZZKHUBYPXJSI-QMMMGPOBSA-N 0 0 245.725 3.415 20 10 BGCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816496566 586736791 /nfs/dbraw/zinc/73/67/91/586736791.db2.gz OSHXNOAIGYSBMX-MRVPVSSYSA-N 0 0 243.709 3.027 20 10 BGCDRN C[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816496567 586736922 /nfs/dbraw/zinc/73/69/22/586736922.db2.gz OSHXNOAIGYSBMX-QMMMGPOBSA-N 0 0 243.709 3.027 20 10 BGCDRN C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816508687 586737522 /nfs/dbraw/zinc/73/75/22/586737522.db2.gz RPYLGQUXXKHFBS-MRVPVSSYSA-N 0 0 243.709 3.169 20 10 BGCDRN C[C@H]1CCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816508688 586737474 /nfs/dbraw/zinc/73/74/74/586737474.db2.gz RPYLGQUXXKHFBS-QMMMGPOBSA-N 0 0 243.709 3.169 20 10 BGCDRN [O-]c1cc(F)c(Cl)cc1C[NH+]1CCCCC1 ZINC000816522020 586738126 /nfs/dbraw/zinc/73/81/26/586738126.db2.gz HMBRAVLCBKUMEU-UHFFFAOYSA-N 0 0 243.709 3.171 20 10 BGCDRN CC(C)CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816528505 586739416 /nfs/dbraw/zinc/73/94/16/586739416.db2.gz GBVPLGYJYAIQQS-UHFFFAOYSA-N 0 0 245.725 3.320 20 10 BGCDRN CCCCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816528507 586739236 /nfs/dbraw/zinc/73/92/36/586739236.db2.gz GDQZBBZOGYGPSG-UHFFFAOYSA-N 0 0 245.725 3.465 20 10 BGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1CCCC1 ZINC000816528546 586739550 /nfs/dbraw/zinc/73/95/50/586739550.db2.gz HTJOUTFZBUVXHD-UHFFFAOYSA-N 0 0 243.709 3.217 20 10 BGCDRN CCC(CC)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816528871 586739187 /nfs/dbraw/zinc/73/91/87/586739187.db2.gz VFOYNWSJDGETCL-UHFFFAOYSA-N 0 0 245.725 3.463 20 10 BGCDRN CCC[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816529379 586739485 /nfs/dbraw/zinc/73/94/85/586739485.db2.gz QJTUUWMEOINWKC-MRVPVSSYSA-N 0 0 245.725 3.463 20 10 BGCDRN CCC[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816529380 586739592 /nfs/dbraw/zinc/73/95/92/586739592.db2.gz QJTUUWMEOINWKC-QMMMGPOBSA-N 0 0 245.725 3.463 20 10 BGCDRN CCCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816531338 586739568 /nfs/dbraw/zinc/73/95/68/586739568.db2.gz OMGDJJVFAPSCMA-UHFFFAOYSA-N 0 0 231.698 3.074 20 10 BGCDRN CC(C)(C)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816539531 586738396 /nfs/dbraw/zinc/73/83/96/586738396.db2.gz KADUZNMGYFKSOQ-UHFFFAOYSA-N 0 0 245.725 3.320 20 10 BGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC1CCC1 ZINC000816542183 586739641 /nfs/dbraw/zinc/73/96/41/586739641.db2.gz GBBLLIPMAWQZHZ-UHFFFAOYSA-N 0 0 243.709 3.074 20 10 BGCDRN CCC(C)(C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816544241 586739620 /nfs/dbraw/zinc/73/96/20/586739620.db2.gz BRDYOJBNYQUILY-UHFFFAOYSA-N 0 0 245.725 3.463 20 10 BGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCC1CC1 ZINC000816555195 586740772 /nfs/dbraw/zinc/74/07/72/586740772.db2.gz WZBMYXFVTWRMHD-UHFFFAOYSA-N 0 0 243.709 3.074 20 10 BGCDRN CC1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816555430 586740847 /nfs/dbraw/zinc/74/08/47/586740847.db2.gz DKWXYIONEMRLOR-UHFFFAOYSA-N 0 0 243.709 3.074 20 10 BGCDRN CC(C)=CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816591294 586742964 /nfs/dbraw/zinc/74/29/64/586742964.db2.gz ZRBPBBRDVMIHMK-UHFFFAOYSA-N 0 0 243.709 3.241 20 10 BGCDRN C[C@@H]1C[C@@H](C)[NH+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816595055 586742910 /nfs/dbraw/zinc/74/29/10/586742910.db2.gz XYKJRQDRLCDGGE-HTQZYQBOSA-N 0 0 243.709 3.167 20 10 BGCDRN C[C@@H]1C[C@H](C)[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816595056 586743894 /nfs/dbraw/zinc/74/38/94/586743894.db2.gz XYKJRQDRLCDGGE-OCAPTIKFSA-N 0 0 243.709 3.167 20 10 BGCDRN C[C@H]1C[C@H](C)[NH+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816595057 586743886 /nfs/dbraw/zinc/74/38/86/586743886.db2.gz XYKJRQDRLCDGGE-YUMQZZPRSA-N 0 0 243.709 3.167 20 10 BGCDRN C[C@H]1CC[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816609748 586744021 /nfs/dbraw/zinc/74/40/21/586744021.db2.gz KWVFXVKCYROZBA-CPCISQLKSA-N 0 0 243.709 3.073 20 10 BGCDRN C[C@@H]1CC[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816609749 586743788 /nfs/dbraw/zinc/74/37/88/586743788.db2.gz KWVFXVKCYROZBA-HQJQHLMTSA-N 0 0 243.709 3.073 20 10 BGCDRN C[C@@H]1CC[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816609750 586743830 /nfs/dbraw/zinc/74/38/30/586743830.db2.gz KWVFXVKCYROZBA-RDDDGLTNSA-N 0 0 243.709 3.073 20 10 BGCDRN C[C@H]1CC[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816609751 586743879 /nfs/dbraw/zinc/74/38/79/586743879.db2.gz KWVFXVKCYROZBA-WRWORJQWSA-N 0 0 243.709 3.073 20 10 BGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCCCF ZINC000816616098 586744303 /nfs/dbraw/zinc/74/43/03/586744303.db2.gz OBYIGKBYZFJGMO-UHFFFAOYSA-N 0 0 249.688 3.024 20 10 BGCDRN Cc1cc(Cl)cc(CNCC(C)(F)F)c1O ZINC000816642775 586748308 /nfs/dbraw/zinc/74/83/08/586748308.db2.gz KKVBKMZWUSCEKX-UHFFFAOYSA-N 0 0 249.688 3.099 20 10 BGCDRN C[C@@H](F)CC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000816643330 586747932 /nfs/dbraw/zinc/74/79/32/586747932.db2.gz BJNUXGZZDITZMU-SSDOTTSWSA-N 0 0 249.688 3.022 20 10 BGCDRN C[C@H](F)CC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000816643331 586748128 /nfs/dbraw/zinc/74/81/28/586748128.db2.gz BJNUXGZZDITZMU-ZETCQYMHSA-N 0 0 249.688 3.022 20 10 BGCDRN C[C@@H](F)CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816643696 586748042 /nfs/dbraw/zinc/74/80/42/586748042.db2.gz NOCNVSFVSATTJB-SSDOTTSWSA-N 0 0 249.688 3.022 20 10 BGCDRN C[C@H](F)CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816643697 586748070 /nfs/dbraw/zinc/74/80/70/586748070.db2.gz NOCNVSFVSATTJB-ZETCQYMHSA-N 0 0 249.688 3.022 20 10 BGCDRN C[C@@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2F)[C@@H]1C ZINC000816647030 643555785 /nfs/dbraw/zinc/55/57/85/643555785.db2.gz MNAPOEJTLRHBCE-HTQZYQBOSA-N 0 0 243.709 3.025 20 10 BGCDRN C[C@@H]1[C@@H](C)C[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000816647031 643553702 /nfs/dbraw/zinc/55/37/02/643553702.db2.gz MNAPOEJTLRHBCE-JGVFFNPUSA-N 0 0 243.709 3.025 20 10 BGCDRN C[C@@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2F)[C@H]1C ZINC000816647032 643552752 /nfs/dbraw/zinc/55/27/52/643552752.db2.gz MNAPOEJTLRHBCE-SFYZADRCSA-N 0 0 243.709 3.025 20 10 BGCDRN C[C@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2F)[C@H]1C ZINC000816647033 643554986 /nfs/dbraw/zinc/55/49/86/643554986.db2.gz MNAPOEJTLRHBCE-YUMQZZPRSA-N 0 0 243.709 3.025 20 10 BGCDRN C[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])[C@@H]1C ZINC000816647277 643554258 /nfs/dbraw/zinc/55/42/58/643554258.db2.gz QJNUWMCKOJONRT-HTQZYQBOSA-N 0 0 243.709 3.025 20 10 BGCDRN C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000816647278 643555001 /nfs/dbraw/zinc/55/50/01/643555001.db2.gz QJNUWMCKOJONRT-JGVFFNPUSA-N 0 0 243.709 3.025 20 10 BGCDRN C[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])[C@H]1C ZINC000816647279 643553032 /nfs/dbraw/zinc/55/30/32/643553032.db2.gz QJNUWMCKOJONRT-SFYZADRCSA-N 0 0 243.709 3.025 20 10 BGCDRN C[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])[C@H]1C ZINC000816647280 643554118 /nfs/dbraw/zinc/55/41/18/643554118.db2.gz QJNUWMCKOJONRT-YUMQZZPRSA-N 0 0 243.709 3.025 20 10 BGCDRN C[C@@H]1C[N@H+](Cc2cc(Cl)c(F)cc2[O-])[C@@H]1C ZINC000816648588 586751384 /nfs/dbraw/zinc/75/13/84/586751384.db2.gz MNSMCSXCKDLNFN-HTQZYQBOSA-N 0 0 243.709 3.025 20 10 BGCDRN C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816648589 586751509 /nfs/dbraw/zinc/75/15/09/586751509.db2.gz MNSMCSXCKDLNFN-JGVFFNPUSA-N 0 0 243.709 3.025 20 10 BGCDRN C[C@@H]1C[N@H+](Cc2cc(Cl)c(F)cc2[O-])[C@H]1C ZINC000816648590 586751208 /nfs/dbraw/zinc/75/12/08/586751208.db2.gz MNSMCSXCKDLNFN-SFYZADRCSA-N 0 0 243.709 3.025 20 10 BGCDRN C[C@H]1C[N@H+](Cc2cc(Cl)c(F)cc2[O-])[C@H]1C ZINC000816648591 586751332 /nfs/dbraw/zinc/75/13/32/586751332.db2.gz MNSMCSXCKDLNFN-YUMQZZPRSA-N 0 0 243.709 3.025 20 10 BGCDRN COc1ccc(N2CCCCC2)c(Cl)c1 ZINC000817381672 586799254 /nfs/dbraw/zinc/79/92/54/586799254.db2.gz IXZLRSHUJMFKNW-UHFFFAOYSA-N 0 0 225.719 3.339 20 10 BGCDRN Cc1cnccc1CCSc1nccs1 ZINC000817581660 586812564 /nfs/dbraw/zinc/81/25/64/586812564.db2.gz QZGPPLLGANSVCY-UHFFFAOYSA-N 0 0 236.365 3.181 20 10 BGCDRN Cc1c(C)n(C)c2ccc(OC(=O)C3CC3)cc12 ZINC000817760637 586826926 /nfs/dbraw/zinc/82/69/26/586826926.db2.gz CYSKKDPJSVFGJK-UHFFFAOYSA-N 0 0 243.306 3.111 20 10 BGCDRN CCC(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000817761429 586826883 /nfs/dbraw/zinc/82/68/83/586826883.db2.gz MORXOQFTKURMRY-UHFFFAOYSA-N 0 0 231.295 3.111 20 10 BGCDRN Cc1c(C)n(C)c2ccc(OC(=O)C(C)C)cc12 ZINC000817761654 586827000 /nfs/dbraw/zinc/82/70/00/586827000.db2.gz NRQJHPGXEBMLNR-UHFFFAOYSA-N 0 0 245.322 3.357 20 10 BGCDRN CC[C@H]([NH2+][C@H]1CC12CC2)c1ccc(F)cc1[O-] ZINC000818355093 586888082 /nfs/dbraw/zinc/88/80/82/586888082.db2.gz BXNYAOAWLTVNNN-AAEUAGOBSA-N 0 0 235.302 3.125 20 10 BGCDRN CC[C@@H]([NH2+][C@@H]1CC12CC2)c1ccc(F)cc1[O-] ZINC000818355094 586888227 /nfs/dbraw/zinc/88/82/27/586888227.db2.gz BXNYAOAWLTVNNN-DGCLKSJQSA-N 0 0 235.302 3.125 20 10 BGCDRN CC[C@H]([NH2+][C@@H]1CC12CC2)c1ccc(F)cc1[O-] ZINC000818355095 586888155 /nfs/dbraw/zinc/88/81/55/586888155.db2.gz BXNYAOAWLTVNNN-WCQYABFASA-N 0 0 235.302 3.125 20 10 BGCDRN CC[C@@H]([NH2+][C@H]1CC12CC2)c1ccc(F)cc1[O-] ZINC000818355096 586887960 /nfs/dbraw/zinc/88/79/60/586887960.db2.gz BXNYAOAWLTVNNN-YPMHNXCESA-N 0 0 235.302 3.125 20 10 BGCDRN C[C@@H]([NH2+][C@H]1CC12CC2)c1ccc(Cl)cc1[O-] ZINC000818355653 586888369 /nfs/dbraw/zinc/88/83/69/586888369.db2.gz IDTXCISGUHQEKS-PELKAZGASA-N 0 0 237.730 3.249 20 10 BGCDRN C[C@@H]([NH2+][C@@H]1CC12CC2)c1ccc(Cl)cc1[O-] ZINC000818355656 586888137 /nfs/dbraw/zinc/88/81/37/586888137.db2.gz IDTXCISGUHQEKS-PRHODGIISA-N 0 0 237.730 3.249 20 10 BGCDRN C[C@H]([NH2+][C@@H]1CC12CC2)c1ccc(Cl)cc1[O-] ZINC000818355659 586888440 /nfs/dbraw/zinc/88/84/40/586888440.db2.gz IDTXCISGUHQEKS-QPUJVOFHSA-N 0 0 237.730 3.249 20 10 BGCDRN C[C@H]([NH2+][C@H]1CC12CC2)c1ccc(Cl)cc1[O-] ZINC000818355660 586888461 /nfs/dbraw/zinc/88/84/61/586888461.db2.gz IDTXCISGUHQEKS-UFBFGSQYSA-N 0 0 237.730 3.249 20 10 BGCDRN C[C@@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1ccc(F)cc1[O-] ZINC000818356927 586888666 /nfs/dbraw/zinc/88/86/66/586888666.db2.gz SQRUJBTXRRRSSV-BIGNPOOSSA-N 0 0 249.329 3.371 20 10 BGCDRN C[C@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1ccc(F)cc1[O-] ZINC000818356928 586889305 /nfs/dbraw/zinc/88/93/05/586889305.db2.gz SQRUJBTXRRRSSV-QCZZGDTMSA-N 0 0 249.329 3.371 20 10 BGCDRN CC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccc(F)cc1[O-] ZINC000818359729 586889258 /nfs/dbraw/zinc/88/92/58/586889258.db2.gz LIDUXJALVAYJFS-IQOUGMIPSA-N 0 0 249.329 3.371 20 10 BGCDRN CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccc(F)cc1[O-] ZINC000818359732 586889238 /nfs/dbraw/zinc/88/92/38/586889238.db2.gz LIDUXJALVAYJFS-QPPBUOOMSA-N 0 0 249.329 3.371 20 10 BGCDRN CCC[C@@H](C(=O)Nc1ccc(N)cc1)C(C)C ZINC000818556205 586900388 /nfs/dbraw/zinc/90/03/88/586900388.db2.gz AIRMWDLSFITQHX-CYBMUJFWSA-N 0 0 234.343 3.280 20 10 BGCDRN CCC[C@H](C(=O)Nc1ccc(N)cc1)C(C)C ZINC000818556206 586900458 /nfs/dbraw/zinc/90/04/58/586900458.db2.gz AIRMWDLSFITQHX-ZDUSSCGKSA-N 0 0 234.343 3.280 20 10 BGCDRN CCC(CC)[C@H](C)C(=O)Nc1ccc(N)cc1 ZINC000818556224 586900376 /nfs/dbraw/zinc/90/03/76/586900376.db2.gz BQSNXEAAMWSAGS-JTQLQIEISA-N 0 0 234.343 3.280 20 10 BGCDRN CCC(CC)[C@@H](C)C(=O)Nc1ccc(N)cc1 ZINC000818556225 586900346 /nfs/dbraw/zinc/90/03/46/586900346.db2.gz BQSNXEAAMWSAGS-SNVBAGLBSA-N 0 0 234.343 3.280 20 10 BGCDRN Nc1ccc(NC(=O)/C=C\C2CCCCC2)cc1 ZINC000818556230 586900404 /nfs/dbraw/zinc/90/04/04/586900404.db2.gz CAGUXNGUKDGUES-WDZFZDKYSA-N 0 0 244.338 3.344 20 10 BGCDRN CC1(C)CCC[C@@H](C(=O)Nc2ccc(N)cc2)C1 ZINC000818556289 586900213 /nfs/dbraw/zinc/90/02/13/586900213.db2.gz IYSRHYJHPWCNDW-LLVKDONJSA-N 0 0 246.354 3.424 20 10 BGCDRN CC1(C)CCC[C@H](C(=O)Nc2ccc(N)cc2)C1 ZINC000818556290 586900239 /nfs/dbraw/zinc/90/02/39/586900239.db2.gz IYSRHYJHPWCNDW-NSHDSACASA-N 0 0 246.354 3.424 20 10 BGCDRN C[C@@H]1CCCC[C@H]1CC(=O)Nc1ccc(N)cc1 ZINC000818556319 586900875 /nfs/dbraw/zinc/90/08/75/586900875.db2.gz LMDVFQBCTMPPDB-NEPJUHHUSA-N 0 0 246.354 3.424 20 10 BGCDRN C[C@H]1CCCC[C@@H]1CC(=O)Nc1ccc(N)cc1 ZINC000818556320 586900746 /nfs/dbraw/zinc/90/07/46/586900746.db2.gz LMDVFQBCTMPPDB-NWDGAFQWSA-N 0 0 246.354 3.424 20 10 BGCDRN C[C@H]1CCCC[C@H]1CC(=O)Nc1ccc(N)cc1 ZINC000818556321 586900870 /nfs/dbraw/zinc/90/08/70/586900870.db2.gz LMDVFQBCTMPPDB-RYUDHWBXSA-N 0 0 246.354 3.424 20 10 BGCDRN C[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc(N)cc1 ZINC000818556322 586900841 /nfs/dbraw/zinc/90/08/41/586900841.db2.gz LMDVFQBCTMPPDB-VXGBXAGGSA-N 0 0 246.354 3.424 20 10 BGCDRN CC(C)(C(=O)Nc1ccc(N)cc1)C1CCCC1 ZINC000818556369 586900931 /nfs/dbraw/zinc/90/09/31/586900931.db2.gz PDJLVBDELJMCBL-UHFFFAOYSA-N 0 0 246.354 3.424 20 10 BGCDRN CCCC1(C(=O)Nc2ccc(N)cc2)CCC1 ZINC000818556396 586900895 /nfs/dbraw/zinc/90/08/95/586900895.db2.gz RCZKJBNCFAVYKA-UHFFFAOYSA-N 0 0 232.327 3.178 20 10 BGCDRN CCC(CC)(CC)C(=O)Nc1ccc(N)cc1 ZINC000818556485 586900963 /nfs/dbraw/zinc/90/09/63/586900963.db2.gz UWPVNQGTSVEWQE-UHFFFAOYSA-N 0 0 234.343 3.424 20 10 BGCDRN C[C@H](C(=O)Nc1ccc(N)cc1)C1CCCC1 ZINC000818557361 586900637 /nfs/dbraw/zinc/90/06/37/586900637.db2.gz WFVGTFIAYYEPHR-JTQLQIEISA-N 0 0 232.327 3.034 20 10 BGCDRN C[C@@H](C(=O)Nc1ccc(N)cc1)C1CCCC1 ZINC000818557362 586899714 /nfs/dbraw/zinc/89/97/14/586899714.db2.gz WFVGTFIAYYEPHR-SNVBAGLBSA-N 0 0 232.327 3.034 20 10 BGCDRN CCCCOc1ccccc1NC[C@H](O)CC ZINC000819421028 586962995 /nfs/dbraw/zinc/96/29/95/586962995.db2.gz ZUHKLJUBXWMMLP-GFCCVEGCSA-N 0 0 237.343 3.048 20 10 BGCDRN CCCCOc1ccccc1NC[C@@H](O)CC ZINC000819421030 586962949 /nfs/dbraw/zinc/96/29/49/586962949.db2.gz ZUHKLJUBXWMMLP-LBPRGKRZSA-N 0 0 237.343 3.048 20 10 BGCDRN CC(C)=C(C)CC(=O)N(C)Cc1ccccc1O ZINC000820877655 587078901 /nfs/dbraw/zinc/07/89/01/587078901.db2.gz CTUJUJSSVKWDQF-UHFFFAOYSA-N 0 0 247.338 3.097 20 10 BGCDRN CCC[C@@H](CC)C(=O)N(C)Cc1ccccc1O ZINC000820879407 587079532 /nfs/dbraw/zinc/07/95/32/587079532.db2.gz SBTKLWOUBSKOEV-GFCCVEGCSA-N 0 0 249.354 3.177 20 10 BGCDRN CCC[C@H](CC)C(=O)N(C)Cc1ccccc1O ZINC000820879409 587079703 /nfs/dbraw/zinc/07/97/03/587079703.db2.gz SBTKLWOUBSKOEV-LBPRGKRZSA-N 0 0 249.354 3.177 20 10 BGCDRN [O-]c1c(F)cccc1C[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000822494220 587171853 /nfs/dbraw/zinc/17/18/53/587171853.db2.gz JXVHDQJPNPENCJ-STQMWFEESA-N 0 0 249.329 3.057 20 10 BGCDRN CC[C@@H](NCc1ccc(OC)c(C)c1)C(F)F ZINC000824508569 587272352 /nfs/dbraw/zinc/27/23/52/587272352.db2.gz FDPSSSWNEBWBDC-LLVKDONJSA-N 0 0 243.297 3.137 20 10 BGCDRN CC[C@H](NCc1ccc(OC)c(C)c1)C(F)F ZINC000824508570 587272300 /nfs/dbraw/zinc/27/23/00/587272300.db2.gz FDPSSSWNEBWBDC-NSHDSACASA-N 0 0 243.297 3.137 20 10 BGCDRN CC[C@@H](NCc1cc(Cl)ccc1O)C(F)F ZINC000824508867 587272156 /nfs/dbraw/zinc/27/21/56/587272156.db2.gz HEXKCMKLQVXJPD-SECBINFHSA-N 0 0 249.688 3.179 20 10 BGCDRN CC[C@H](NCc1cc(Cl)ccc1O)C(F)F ZINC000824508869 587272315 /nfs/dbraw/zinc/27/23/15/587272315.db2.gz HEXKCMKLQVXJPD-VIFPVBQESA-N 0 0 249.688 3.179 20 10 BGCDRN CC[C@@H](N[C@H](CC)C(F)F)c1ccccc1O ZINC000824508984 587272136 /nfs/dbraw/zinc/27/21/36/587272136.db2.gz IRMPMWUCOMEFDI-GHMZBOCLSA-N 0 0 243.297 3.477 20 10 BGCDRN CC[C@@H](N[C@@H](CC)C(F)F)c1ccccc1O ZINC000824508985 587272292 /nfs/dbraw/zinc/27/22/92/587272292.db2.gz IRMPMWUCOMEFDI-MNOVXSKESA-N 0 0 243.297 3.477 20 10 BGCDRN CC[C@H](N[C@@H](CC)C(F)F)c1ccccc1O ZINC000824508986 587272381 /nfs/dbraw/zinc/27/23/81/587272381.db2.gz IRMPMWUCOMEFDI-QWRGUYRKSA-N 0 0 243.297 3.477 20 10 BGCDRN CC[C@@H](N[C@@H](CC)c1ccccc1O)C(F)F ZINC000824508987 587272326 /nfs/dbraw/zinc/27/23/26/587272326.db2.gz IRMPMWUCOMEFDI-WDEREUQCSA-N 0 0 243.297 3.477 20 10 BGCDRN CC[C@@H](NCc1cc(C)c(C)cc1O)C(F)F ZINC000824509308 587272461 /nfs/dbraw/zinc/27/24/61/587272461.db2.gz LAMNUPJDWICVBQ-LLVKDONJSA-N 0 0 243.297 3.142 20 10 BGCDRN CC[C@H](NCc1cc(C)c(C)cc1O)C(F)F ZINC000824509315 587272450 /nfs/dbraw/zinc/27/24/50/587272450.db2.gz LAMNUPJDWICVBQ-NSHDSACASA-N 0 0 243.297 3.142 20 10 BGCDRN CCC1([NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000824620132 587279774 /nfs/dbraw/zinc/27/97/74/587279774.db2.gz CVLKTAWURNKLRM-UHFFFAOYSA-N 0 0 243.709 3.217 20 10 BGCDRN CCC1([NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000824620449 587279667 /nfs/dbraw/zinc/27/96/67/587279667.db2.gz PICOJBKTEFUTMM-UHFFFAOYSA-N 0 0 243.709 3.217 20 10 BGCDRN CCC1([NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000824620554 587279640 /nfs/dbraw/zinc/27/96/40/587279640.db2.gz TZGHBLHIJFXESC-UHFFFAOYSA-N 0 0 243.709 3.217 20 10 BGCDRN Cc1cc(O)c(CN(C)CC(F)F)cc1Cl ZINC000824627794 587280329 /nfs/dbraw/zinc/28/03/29/587280329.db2.gz XBBGYSGYDVTGDF-UHFFFAOYSA-N 0 0 249.688 3.051 20 10 BGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000824650774 587280648 /nfs/dbraw/zinc/28/06/48/587280648.db2.gz QPISMVSTIQXSLG-GFCCVEGCSA-N 0 0 237.730 3.030 20 10 BGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H]1C1CC1 ZINC000824650775 587281100 /nfs/dbraw/zinc/28/11/00/587281100.db2.gz QPISMVSTIQXSLG-LBPRGKRZSA-N 0 0 237.730 3.030 20 10 BGCDRN CC/C=C\C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000824702506 587283724 /nfs/dbraw/zinc/28/37/24/587283724.db2.gz MLAMBSLLSSQUER-ARJAWSKDSA-N 0 0 243.709 3.241 20 10 BGCDRN CC/C=C/C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000824702507 587283489 /nfs/dbraw/zinc/28/34/89/587283489.db2.gz MLAMBSLLSSQUER-ONEGZZNKSA-N 0 0 243.709 3.241 20 10 BGCDRN CC/C=C\C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000824710454 587283987 /nfs/dbraw/zinc/28/39/87/587283987.db2.gz ZGKTVDRSBZLQNF-ARJAWSKDSA-N 0 0 243.709 3.241 20 10 BGCDRN CC/C=C/C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000824710455 587283878 /nfs/dbraw/zinc/28/38/78/587283878.db2.gz ZGKTVDRSBZLQNF-ONEGZZNKSA-N 0 0 243.709 3.241 20 10 BGCDRN CC/C=C\C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000824710546 587284014 /nfs/dbraw/zinc/28/40/14/587284014.db2.gz ZXMBLSDIPOBZCZ-ARJAWSKDSA-N 0 0 243.709 3.241 20 10 BGCDRN CC/C=C/C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000824710547 587284010 /nfs/dbraw/zinc/28/40/10/587284010.db2.gz ZXMBLSDIPOBZCZ-ONEGZZNKSA-N 0 0 243.709 3.241 20 10 BGCDRN CC[C@@H]([NH2+][C@@H]1CCC[C@H]1OC)c1ccccc1O ZINC000824903633 587292687 /nfs/dbraw/zinc/29/26/87/587292687.db2.gz ILGHQXPLEGUQLT-UMVBOHGHSA-N 0 0 249.354 3.000 20 10 BGCDRN CC(C)=C(C)CC(=O)NCc1cc(C)ccc1O ZINC000824904343 587292603 /nfs/dbraw/zinc/29/26/03/587292603.db2.gz MKEIQMAMGCEKEY-UHFFFAOYSA-N 0 0 247.338 3.063 20 10 BGCDRN CCC[C@@H](CC)C(=O)NCc1cc(C)ccc1O ZINC000824904871 587293108 /nfs/dbraw/zinc/29/31/08/587293108.db2.gz ZXVSOZHSAPHBDR-GFCCVEGCSA-N 0 0 249.354 3.143 20 10 BGCDRN CCC[C@H](CC)C(=O)NCc1cc(C)ccc1O ZINC000824904872 587292989 /nfs/dbraw/zinc/29/29/89/587292989.db2.gz ZXVSOZHSAPHBDR-LBPRGKRZSA-N 0 0 249.354 3.143 20 10 BGCDRN CCC[C@@H](CC)C(=O)N1Cc2cccc(O)c2C1 ZINC000825355981 587316758 /nfs/dbraw/zinc/31/67/58/587316758.db2.gz GAVBGIFGZWEREE-LLVKDONJSA-N 0 0 247.338 3.061 20 10 BGCDRN CCC[C@H](CC)C(=O)N1Cc2cccc(O)c2C1 ZINC000825355982 587316678 /nfs/dbraw/zinc/31/66/78/587316678.db2.gz GAVBGIFGZWEREE-NSHDSACASA-N 0 0 247.338 3.061 20 10 BGCDRN COc1ccc(N(C)CC2=CCCC2)cc1OC ZINC000827808186 587403564 /nfs/dbraw/zinc/40/35/64/587403564.db2.gz AVRWPHRXBQDVMV-UHFFFAOYSA-N 0 0 247.338 3.250 20 10 BGCDRN CCC[C@H](CC)C(=O)N[C@H](C)c1ccccc1O ZINC000827915634 587410212 /nfs/dbraw/zinc/41/02/12/587410212.db2.gz BUSRQWWRKZCGNO-NEPJUHHUSA-N 0 0 249.354 3.396 20 10 BGCDRN CCC[C@@H](CC)C(=O)N[C@H](C)c1ccccc1O ZINC000827915635 587409819 /nfs/dbraw/zinc/40/98/19/587409819.db2.gz BUSRQWWRKZCGNO-VXGBXAGGSA-N 0 0 249.354 3.396 20 10 BGCDRN C[C@@H](NC(=O)C1CCCCC1)c1ccccc1O ZINC000827917712 587409746 /nfs/dbraw/zinc/40/97/46/587409746.db2.gz PMIOPUYGWOTCSY-LLVKDONJSA-N 0 0 247.338 3.150 20 10 BGCDRN C[C@@H](NC(=O)CC1CCCC1)c1ccccc1O ZINC000827917890 587410180 /nfs/dbraw/zinc/41/01/80/587410180.db2.gz QIPOOSJVWXONTG-LLVKDONJSA-N 0 0 247.338 3.150 20 10 BGCDRN CC(C)CCC(=O)N[C@H](C)c1ccccc1O ZINC000827922879 587409919 /nfs/dbraw/zinc/40/99/19/587409919.db2.gz BRYXDGGZJZNROE-LLVKDONJSA-N 0 0 235.327 3.006 20 10 BGCDRN CCCCCC(=O)N[C@H](C)c1ccccc1O ZINC000827923206 587409785 /nfs/dbraw/zinc/40/97/85/587409785.db2.gz LRVDOSIMKJOYMI-LLVKDONJSA-N 0 0 235.327 3.150 20 10 BGCDRN CCC(CC)C(=O)N[C@H](C)c1ccccc1O ZINC000827923472 587410095 /nfs/dbraw/zinc/41/00/95/587410095.db2.gz RFTFEBOTZNITTR-SNVBAGLBSA-N 0 0 235.327 3.006 20 10 BGCDRN C[C@@H](NC(=O)CC(C)(C)C)c1ccccc1O ZINC000827923611 587409973 /nfs/dbraw/zinc/40/99/73/587409973.db2.gz VVLBQCXELLPLTR-SNVBAGLBSA-N 0 0 235.327 3.006 20 10 BGCDRN CCC[C@H](C)CC(=O)N[C@H](C)c1ccccc1O ZINC000827930081 587410446 /nfs/dbraw/zinc/41/04/46/587410446.db2.gz ALMQKDIDEQPNJW-NWDGAFQWSA-N 0 0 249.354 3.396 20 10 BGCDRN CCC[C@@H](C)CC(=O)N[C@H](C)c1ccccc1O ZINC000827930082 587410549 /nfs/dbraw/zinc/41/05/49/587410549.db2.gz ALMQKDIDEQPNJW-VXGBXAGGSA-N 0 0 249.354 3.396 20 10 BGCDRN C[C@@H](NC(=O)C1(C)CCCC1)c1ccccc1O ZINC000827930357 587410521 /nfs/dbraw/zinc/41/05/21/587410521.db2.gz HVYSOLNUPJNCDE-LLVKDONJSA-N 0 0 247.338 3.150 20 10 BGCDRN C[C@H](CC(=O)N[C@H](C)c1ccccc1O)C1CC1 ZINC000827930420 587410717 /nfs/dbraw/zinc/41/07/17/587410717.db2.gz JXHALKJLEZHFGW-GHMZBOCLSA-N 0 0 247.338 3.006 20 10 BGCDRN C[C@@H](NC(=O)C[C@H](C)C1CC1)c1ccccc1O ZINC000827930421 587410474 /nfs/dbraw/zinc/41/04/74/587410474.db2.gz JXHALKJLEZHFGW-WDEREUQCSA-N 0 0 247.338 3.006 20 10 BGCDRN C[C@@H](NC(=O)C=C1CCCC1)c1ccccc1O ZINC000827930433 587410672 /nfs/dbraw/zinc/41/06/72/587410672.db2.gz KEAFEMDXYGAIPO-LLVKDONJSA-N 0 0 245.322 3.070 20 10 BGCDRN CCC(C)(C)C(=O)N[C@H](C)c1ccccc1O ZINC000827930461 587410540 /nfs/dbraw/zinc/41/05/40/587410540.db2.gz KSBZBWYSCXYXLL-SNVBAGLBSA-N 0 0 235.327 3.006 20 10 BGCDRN CCC/C(C)=C/C(=O)N[C@H](C)c1ccccc1O ZINC000827930735 587410695 /nfs/dbraw/zinc/41/06/95/587410695.db2.gz PNMYRQOVYSYCKB-HCRIHEDKSA-N 0 0 247.338 3.316 20 10 BGCDRN CCC/C(C)=C\C(=O)N[C@H](C)c1ccccc1O ZINC000827930736 587410545 /nfs/dbraw/zinc/41/05/45/587410545.db2.gz PNMYRQOVYSYCKB-NLYDNYMLSA-N 0 0 247.338 3.316 20 10 BGCDRN CCC(CC)CC(=O)N[C@H](C)c1ccccc1O ZINC000827936758 587411118 /nfs/dbraw/zinc/41/11/18/587411118.db2.gz CFLKAVIAUINBFZ-LLVKDONJSA-N 0 0 249.354 3.396 20 10 BGCDRN CCCC1(C(=O)N[C@H](C)c2ccccc2O)CC1 ZINC000827936888 587411108 /nfs/dbraw/zinc/41/11/08/587411108.db2.gz FIMRHQIREHICBO-LLVKDONJSA-N 0 0 247.338 3.150 20 10 BGCDRN CCC1(C(=O)N[C@H](C)c2ccccc2O)CCC1 ZINC000827936893 587411199 /nfs/dbraw/zinc/41/11/99/587411199.db2.gz FPTOQNKVAMELJI-LLVKDONJSA-N 0 0 247.338 3.150 20 10 BGCDRN CCC[C@@H](C)C(=O)N[C@H](C)c1ccccc1O ZINC000827936910 587411338 /nfs/dbraw/zinc/41/13/38/587411338.db2.gz GJGZPQPIKGPAFM-GHMZBOCLSA-N 0 0 235.327 3.006 20 10 BGCDRN CCC[C@H](C)C(=O)N[C@H](C)c1ccccc1O ZINC000827936911 587411040 /nfs/dbraw/zinc/41/10/40/587411040.db2.gz GJGZPQPIKGPAFM-WDEREUQCSA-N 0 0 235.327 3.006 20 10 BGCDRN C[C@@H](NC(=O)CCC1CCC1)c1ccccc1O ZINC000827936912 587411340 /nfs/dbraw/zinc/41/13/40/587411340.db2.gz GKQCGOKYLBLJIN-LLVKDONJSA-N 0 0 247.338 3.150 20 10 BGCDRN CCC(=CC(=O)N[C@H](C)c1ccccc1O)CC ZINC000827937207 587411318 /nfs/dbraw/zinc/41/13/18/587411318.db2.gz OUDHHOBEXDNJJC-LLVKDONJSA-N 0 0 247.338 3.316 20 10 BGCDRN C[C@@H](NC(=O)/C=C\C(C)(C)C)c1ccccc1O ZINC000827937227 587411081 /nfs/dbraw/zinc/41/10/81/587411081.db2.gz PCSWNESFSGCTOG-DWOQACPDSA-N 0 0 247.338 3.172 20 10 BGCDRN C[C@@H](NC(=O)/C=C/C(C)(C)C)c1ccccc1O ZINC000827937228 587411359 /nfs/dbraw/zinc/41/13/59/587411359.db2.gz PCSWNESFSGCTOG-PBQZMEPESA-N 0 0 247.338 3.172 20 10 BGCDRN C[C@@H](NC(=O)CCC(C)(C)C)c1ccccc1O ZINC000827937382 587411070 /nfs/dbraw/zinc/41/10/70/587411070.db2.gz UMQATCPAJJAIGV-LLVKDONJSA-N 0 0 249.354 3.396 20 10 BGCDRN CCC(C)(C)CC(=O)N[C@H](C)c1ccccc1O ZINC000827937423 587411067 /nfs/dbraw/zinc/41/10/67/587411067.db2.gz VYVHSSYXVZRXBZ-LLVKDONJSA-N 0 0 249.354 3.396 20 10 BGCDRN C[C@@H](NC(=O)[C@@H](C)C(C)(C)C)c1ccccc1O ZINC000827937480 587411392 /nfs/dbraw/zinc/41/13/92/587411392.db2.gz XXJXRULEFHKMLH-GHMZBOCLSA-N 0 0 249.354 3.252 20 10 BGCDRN C[C@@H](NC(=O)[C@H](C)C(C)(C)C)c1ccccc1O ZINC000827937481 587411051 /nfs/dbraw/zinc/41/10/51/587411051.db2.gz XXJXRULEFHKMLH-WDEREUQCSA-N 0 0 249.354 3.252 20 10 BGCDRN C[C@@H](NC(=O)[C@@H]1CC[C@@H](C)C1)c1ccccc1O ZINC000827941178 587412041 /nfs/dbraw/zinc/41/20/41/587412041.db2.gz OPDFTLNFUPUULT-IJLUTSLNSA-N 0 0 247.338 3.006 20 10 BGCDRN C[C@@H](NC(=O)[C@@H]1CC[C@H](C)C1)c1ccccc1O ZINC000827941179 587411710 /nfs/dbraw/zinc/41/17/10/587411710.db2.gz OPDFTLNFUPUULT-QJPTWQEYSA-N 0 0 247.338 3.006 20 10 BGCDRN C[C@@H](NC(=O)[C@H]1CC[C@H](C)C1)c1ccccc1O ZINC000827941180 587412131 /nfs/dbraw/zinc/41/21/31/587412131.db2.gz OPDFTLNFUPUULT-TUAOUCFPSA-N 0 0 247.338 3.006 20 10 BGCDRN C[C@@H](NC(=O)[C@H]1CC[C@@H](C)C1)c1ccccc1O ZINC000827941181 587412090 /nfs/dbraw/zinc/41/20/90/587412090.db2.gz OPDFTLNFUPUULT-UTUOFQBUSA-N 0 0 247.338 3.006 20 10 BGCDRN C[C@@H](NC(=O)C1=CCCCC1)c1ccccc1O ZINC000827941412 587412145 /nfs/dbraw/zinc/41/21/45/587412145.db2.gz RIVAGOYOWRSVSO-LLVKDONJSA-N 0 0 245.322 3.070 20 10 BGCDRN CC[C@@H](C)[C@H](C)C(=O)N[C@H](C)c1ccccc1O ZINC000827941443 587411717 /nfs/dbraw/zinc/41/17/17/587411717.db2.gz RYRPVYLVCNXTNS-GRYCIOLGSA-N 0 0 249.354 3.252 20 10 BGCDRN CC[C@@H](C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1O ZINC000827941445 587412107 /nfs/dbraw/zinc/41/21/07/587412107.db2.gz RYRPVYLVCNXTNS-IJLUTSLNSA-N 0 0 249.354 3.252 20 10 BGCDRN CC[C@H](C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1O ZINC000827941447 587412037 /nfs/dbraw/zinc/41/20/37/587412037.db2.gz RYRPVYLVCNXTNS-QJPTWQEYSA-N 0 0 249.354 3.252 20 10 BGCDRN CC[C@H](C)[C@H](C)C(=O)N[C@H](C)c1ccccc1O ZINC000827941449 587411905 /nfs/dbraw/zinc/41/19/05/587411905.db2.gz RYRPVYLVCNXTNS-SDDRHHMPSA-N 0 0 249.354 3.252 20 10 BGCDRN C[N@@H+](Cc1cccc(F)c1[O-])C[C@H]1CC1(C)C ZINC000827941597 587411750 /nfs/dbraw/zinc/41/17/50/587411750.db2.gz HBCRZUGHSHBSOT-LLVKDONJSA-N 0 0 237.318 3.009 20 10 BGCDRN C[N@@H+](Cc1cccc(F)c1[O-])C[C@@H]1CC1(C)C ZINC000827941598 587411916 /nfs/dbraw/zinc/41/19/16/587411916.db2.gz HBCRZUGHSHBSOT-NSHDSACASA-N 0 0 237.318 3.009 20 10 BGCDRN C=C/C(C)=C/CC(=O)N[C@H](C)c1ccccc1O ZINC000827941662 587411986 /nfs/dbraw/zinc/41/19/86/587411986.db2.gz VEDCRJBCYUUQAF-LMMOQWNQSA-N 0 0 245.322 3.092 20 10 BGCDRN C=C/C(C)=C\CC(=O)N[C@H](C)c1ccccc1O ZINC000827941663 587412071 /nfs/dbraw/zinc/41/20/71/587412071.db2.gz VEDCRJBCYUUQAF-UCQJPZFISA-N 0 0 245.322 3.092 20 10 BGCDRN CC1=C(C(=O)N[C@H](C)c2ccccc2O)CCC1 ZINC000827941688 587411727 /nfs/dbraw/zinc/41/17/27/587411727.db2.gz WETDUAXGXWBGCT-LLVKDONJSA-N 0 0 245.322 3.070 20 10 BGCDRN CCC(C)(CC)C(=O)N[C@H](C)c1ccccc1O ZINC000827941709 587412014 /nfs/dbraw/zinc/41/20/14/587412014.db2.gz WXGYOTCVRHLPRK-LLVKDONJSA-N 0 0 249.354 3.396 20 10 BGCDRN CC/C(C)=C(\C)C(=O)N[C@H](C)c1ccccc1O ZINC000827941747 587411709 /nfs/dbraw/zinc/41/17/09/587411709.db2.gz XORQDQWRARFUFE-HCRIHEDKSA-N 0 0 247.338 3.316 20 10 BGCDRN CC/C(C)=C(/C)C(=O)N[C@H](C)c1ccccc1O ZINC000827941749 587412109 /nfs/dbraw/zinc/41/21/09/587412109.db2.gz XORQDQWRARFUFE-NLYDNYMLSA-N 0 0 247.338 3.316 20 10 BGCDRN CC(C)C[C@H](C)C(=O)N[C@H](C)c1ccccc1O ZINC000827941769 587412021 /nfs/dbraw/zinc/41/20/21/587412021.db2.gz XSBZINACOXIGQE-NWDGAFQWSA-N 0 0 249.354 3.252 20 10 BGCDRN CC(C)C[C@@H](C)C(=O)N[C@H](C)c1ccccc1O ZINC000827941771 587412087 /nfs/dbraw/zinc/41/20/87/587412087.db2.gz XSBZINACOXIGQE-VXGBXAGGSA-N 0 0 249.354 3.252 20 10 BGCDRN CC[C@H](C)CCC(=O)N[C@H](C)c1ccccc1O ZINC000827946204 587412302 /nfs/dbraw/zinc/41/23/02/587412302.db2.gz AKEVPJJZMQPAGI-NWDGAFQWSA-N 0 0 249.354 3.396 20 10 BGCDRN CC[C@@H](C)CCC(=O)N[C@H](C)c1ccccc1O ZINC000827946205 587412496 /nfs/dbraw/zinc/41/24/96/587412496.db2.gz AKEVPJJZMQPAGI-VXGBXAGGSA-N 0 0 249.354 3.396 20 10 BGCDRN CCCC[C@H](C)C(=O)N[C@H](C)c1ccccc1O ZINC000827946240 587412530 /nfs/dbraw/zinc/41/25/30/587412530.db2.gz BFSFZCBWVHRMBX-NWDGAFQWSA-N 0 0 249.354 3.396 20 10 BGCDRN CCCC[C@@H](C)C(=O)N[C@H](C)c1ccccc1O ZINC000827946241 587412352 /nfs/dbraw/zinc/41/23/52/587412352.db2.gz BFSFZCBWVHRMBX-VXGBXAGGSA-N 0 0 249.354 3.396 20 10 BGCDRN CC[C@@H](C)CC(=O)N[C@H](C)c1ccccc1O ZINC000827946300 587412511 /nfs/dbraw/zinc/41/25/11/587412511.db2.gz CXMROSCKEOANIV-GHMZBOCLSA-N 0 0 235.327 3.006 20 10 BGCDRN CC[C@H](C)CC(=O)N[C@H](C)c1ccccc1O ZINC000827946301 587412499 /nfs/dbraw/zinc/41/24/99/587412499.db2.gz CXMROSCKEOANIV-WDEREUQCSA-N 0 0 235.327 3.006 20 10 BGCDRN C[C@@H](NC(=O)C1CC(C)(C)C1)c1ccccc1O ZINC000827946326 587412238 /nfs/dbraw/zinc/41/22/38/587412238.db2.gz DNLFBDNLPXLFRY-SNVBAGLBSA-N 0 0 247.338 3.006 20 10 BGCDRN C[C@@H](NC(=O)CCCC1CC1)c1ccccc1O ZINC000827946358 587412459 /nfs/dbraw/zinc/41/24/59/587412459.db2.gz FTQMJOKMTHRCJR-LLVKDONJSA-N 0 0 247.338 3.150 20 10 BGCDRN C[C@@H](NC(=O)C(C)(C)C1CC1)c1ccccc1O ZINC000827946778 587412524 /nfs/dbraw/zinc/41/25/24/587412524.db2.gz RLJMLKUZHRZEMB-SNVBAGLBSA-N 0 0 247.338 3.006 20 10 BGCDRN CC(C)C(C)(C)C(=O)N[C@H](C)c1ccccc1O ZINC000827947056 587412274 /nfs/dbraw/zinc/41/22/74/587412274.db2.gz ZRGMDKREHNEIOC-LLVKDONJSA-N 0 0 249.354 3.252 20 10 BGCDRN CC(C(=O)N[C@H](C)c1ccccc1O)=C1CCC1 ZINC000827951996 587412765 /nfs/dbraw/zinc/41/27/65/587412765.db2.gz BYPSNRDXQWQUAI-LLVKDONJSA-N 0 0 245.322 3.070 20 10 BGCDRN CCCC(C)(C)C(=O)N[C@H](C)c1ccccc1O ZINC000827952087 587413069 /nfs/dbraw/zinc/41/30/69/587413069.db2.gz FYTRMQXSNXOKFL-LLVKDONJSA-N 0 0 249.354 3.396 20 10 BGCDRN C[C@@H](NC(=O)[C@H](C)C1CCC1)c1ccccc1O ZINC000827952115 587413097 /nfs/dbraw/zinc/41/30/97/587413097.db2.gz GPCBNQLWZVFJIK-GHMZBOCLSA-N 0 0 247.338 3.006 20 10 BGCDRN C[C@@H](NC(=O)[C@@H](C)C1CCC1)c1ccccc1O ZINC000827952116 587412946 /nfs/dbraw/zinc/41/29/46/587412946.db2.gz GPCBNQLWZVFJIK-WDEREUQCSA-N 0 0 247.338 3.006 20 10 BGCDRN CC(C)=C(C)CC(=O)N[C@H](C)c1ccccc1O ZINC000827952212 587412213 /nfs/dbraw/zinc/41/22/13/587412213.db2.gz JXXQOXCZZZEKIN-GFCCVEGCSA-N 0 0 247.338 3.316 20 10 BGCDRN CC(C)CCCC(=O)N[C@H](C)c1ccccc1O ZINC000827952318 587413035 /nfs/dbraw/zinc/41/30/35/587413035.db2.gz NOALATCOLSMWDO-GFCCVEGCSA-N 0 0 249.354 3.396 20 10 BGCDRN C[C@@H](NC(=O)[C@@H]1CCC1(C)C)c1ccccc1O ZINC000827957660 587413721 /nfs/dbraw/zinc/41/37/21/587413721.db2.gz XKTJFVWMRMNCOJ-PWSUYJOCSA-N 0 0 247.338 3.006 20 10 BGCDRN C[C@@H](NC(=O)[C@H]1CCC1(C)C)c1ccccc1O ZINC000827957661 587413350 /nfs/dbraw/zinc/41/33/50/587413350.db2.gz XKTJFVWMRMNCOJ-ZYHUDNBSSA-N 0 0 247.338 3.006 20 10 BGCDRN CC(C(=O)N[C@@H](C)c1ccccc1O)=C1CCC1 ZINC000827959596 587413267 /nfs/dbraw/zinc/41/32/67/587413267.db2.gz BYPSNRDXQWQUAI-NSHDSACASA-N 0 0 245.322 3.070 20 10 BGCDRN CCCC(C)(C)C(=O)N[C@@H](C)c1ccccc1O ZINC000827959800 587413493 /nfs/dbraw/zinc/41/34/93/587413493.db2.gz FYTRMQXSNXOKFL-NSHDSACASA-N 0 0 249.354 3.396 20 10 BGCDRN C[C@@H](C(=O)N[C@@H](C)c1ccccc1O)C1CCC1 ZINC000827959872 587413343 /nfs/dbraw/zinc/41/33/43/587413343.db2.gz GPCBNQLWZVFJIK-MNOVXSKESA-N 0 0 247.338 3.006 20 10 BGCDRN C[C@H](NC(=O)[C@@H](C)C1CCC1)c1ccccc1O ZINC000827959875 587413586 /nfs/dbraw/zinc/41/35/86/587413586.db2.gz GPCBNQLWZVFJIK-QWRGUYRKSA-N 0 0 247.338 3.006 20 10 BGCDRN CC(C)=C(C)CC(=O)N[C@@H](C)c1ccccc1O ZINC000827960136 587413771 /nfs/dbraw/zinc/41/37/71/587413771.db2.gz JXXQOXCZZZEKIN-LBPRGKRZSA-N 0 0 247.338 3.316 20 10 BGCDRN C[C@H](NC(=O)[C@H]1CCC1(C)C)c1ccccc1O ZINC000827960822 587413443 /nfs/dbraw/zinc/41/34/43/587413443.db2.gz XKTJFVWMRMNCOJ-CMPLNLGQSA-N 0 0 247.338 3.006 20 10 BGCDRN C[C@H](NC(=O)[C@@H]1CCC1(C)C)c1ccccc1O ZINC000827960825 587413584 /nfs/dbraw/zinc/41/35/84/587413584.db2.gz XKTJFVWMRMNCOJ-JQWIXIFHSA-N 0 0 247.338 3.006 20 10 BGCDRN CC[C@@H](C)CCC(=O)N[C@@H](C)c1ccccc1O ZINC000827963780 587413733 /nfs/dbraw/zinc/41/37/33/587413733.db2.gz AKEVPJJZMQPAGI-NEPJUHHUSA-N 0 0 249.354 3.396 20 10 BGCDRN CC[C@H](C)CCC(=O)N[C@@H](C)c1ccccc1O ZINC000827963781 587413389 /nfs/dbraw/zinc/41/33/89/587413389.db2.gz AKEVPJJZMQPAGI-RYUDHWBXSA-N 0 0 249.354 3.396 20 10 BGCDRN CCCC[C@@H](C)C(=O)N[C@@H](C)c1ccccc1O ZINC000827963818 587413363 /nfs/dbraw/zinc/41/33/63/587413363.db2.gz BFSFZCBWVHRMBX-NEPJUHHUSA-N 0 0 249.354 3.396 20 10 BGCDRN CCCC[C@H](C)C(=O)N[C@@H](C)c1ccccc1O ZINC000827963819 587413750 /nfs/dbraw/zinc/41/37/50/587413750.db2.gz BFSFZCBWVHRMBX-RYUDHWBXSA-N 0 0 249.354 3.396 20 10 BGCDRN C[C@H](NC(=O)C1CC(C)(C)C1)c1ccccc1O ZINC000827963908 587413731 /nfs/dbraw/zinc/41/37/31/587413731.db2.gz DNLFBDNLPXLFRY-JTQLQIEISA-N 0 0 247.338 3.006 20 10 BGCDRN C[C@H](NC(=O)CCCC1CC1)c1ccccc1O ZINC000827963986 587413317 /nfs/dbraw/zinc/41/33/17/587413317.db2.gz FTQMJOKMTHRCJR-NSHDSACASA-N 0 0 247.338 3.150 20 10 BGCDRN CC(C)CCCC(=O)N[C@@H](C)c1ccccc1O ZINC000827964500 645088148 /nfs/dbraw/zinc/08/81/48/645088148.db2.gz NOALATCOLSMWDO-LBPRGKRZSA-N 0 0 249.354 3.396 20 10 BGCDRN C[C@H](NC(=O)C(C)(C)C1CC1)c1ccccc1O ZINC000827964589 645088400 /nfs/dbraw/zinc/08/84/00/645088400.db2.gz RLJMLKUZHRZEMB-JTQLQIEISA-N 0 0 247.338 3.006 20 10 BGCDRN CC[C@@H](C)CC(=O)N[C@@H](C)c1ccccc1O ZINC000827968917 645089102 /nfs/dbraw/zinc/08/91/02/645089102.db2.gz CXMROSCKEOANIV-MNOVXSKESA-N 0 0 235.327 3.006 20 10 BGCDRN CC[C@H](C)CC(=O)N[C@@H](C)c1ccccc1O ZINC000827968918 645090142 /nfs/dbraw/zinc/09/01/42/645090142.db2.gz CXMROSCKEOANIV-QWRGUYRKSA-N 0 0 235.327 3.006 20 10 BGCDRN C[C@H](NC(=O)[C@@H]1CC[C@@H](C)C1)c1ccccc1O ZINC000827969538 645090222 /nfs/dbraw/zinc/09/02/22/645090222.db2.gz OPDFTLNFUPUULT-GRYCIOLGSA-N 0 0 247.338 3.006 20 10 BGCDRN C[C@H](NC(=O)[C@@H]1CC[C@H](C)C1)c1ccccc1O ZINC000827969540 645089251 /nfs/dbraw/zinc/08/92/51/645089251.db2.gz OPDFTLNFUPUULT-SDDRHHMPSA-N 0 0 247.338 3.006 20 10 BGCDRN C[C@H](NC(=O)[C@H]1CC[C@H](C)C1)c1ccccc1O ZINC000827969542 645090155 /nfs/dbraw/zinc/09/01/55/645090155.db2.gz OPDFTLNFUPUULT-SRVKXCTJSA-N 0 0 247.338 3.006 20 10 BGCDRN C[C@H](NC(=O)[C@H]1CC[C@@H](C)C1)c1ccccc1O ZINC000827969543 645089564 /nfs/dbraw/zinc/08/95/64/645089564.db2.gz OPDFTLNFUPUULT-WOPDTQHZSA-N 0 0 247.338 3.006 20 10 BGCDRN C[C@H](NC(=O)C1=CCCCC1)c1ccccc1O ZINC000827969758 645090248 /nfs/dbraw/zinc/09/02/48/645090248.db2.gz RIVAGOYOWRSVSO-NSHDSACASA-N 0 0 245.322 3.070 20 10 BGCDRN CC[C@H](C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1O ZINC000827969831 645089018 /nfs/dbraw/zinc/08/90/18/645089018.db2.gz RYRPVYLVCNXTNS-SRVKXCTJSA-N 0 0 249.354 3.252 20 10 BGCDRN CC[C@H](C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1O ZINC000827969832 645089397 /nfs/dbraw/zinc/08/93/97/645089397.db2.gz RYRPVYLVCNXTNS-TUAOUCFPSA-N 0 0 249.354 3.252 20 10 BGCDRN CC[C@@H](C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1O ZINC000827969833 645090236 /nfs/dbraw/zinc/09/02/36/645090236.db2.gz RYRPVYLVCNXTNS-UTUOFQBUSA-N 0 0 249.354 3.252 20 10 BGCDRN CC[C@@H](C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1O ZINC000827969834 645090136 /nfs/dbraw/zinc/09/01/36/645090136.db2.gz RYRPVYLVCNXTNS-WOPDTQHZSA-N 0 0 249.354 3.252 20 10 BGCDRN C=C/C(C)=C\CC(=O)N[C@@H](C)c1ccccc1O ZINC000827969923 645089970 /nfs/dbraw/zinc/08/99/70/645089970.db2.gz VEDCRJBCYUUQAF-MMRAYRKESA-N 0 0 245.322 3.092 20 10 BGCDRN C=C/C(C)=C/CC(=O)N[C@@H](C)c1ccccc1O ZINC000827969925 645089173 /nfs/dbraw/zinc/08/91/73/645089173.db2.gz VEDCRJBCYUUQAF-ZKQHCESOSA-N 0 0 245.322 3.092 20 10 BGCDRN CCC(C)(CC)C(=O)N[C@@H](C)c1ccccc1O ZINC000827970125 645090159 /nfs/dbraw/zinc/09/01/59/645090159.db2.gz WXGYOTCVRHLPRK-NSHDSACASA-N 0 0 249.354 3.396 20 10 BGCDRN CC/C(C)=C(\C)C(=O)N[C@@H](C)c1ccccc1O ZINC000827970142 645089801 /nfs/dbraw/zinc/08/98/01/645089801.db2.gz XORQDQWRARFUFE-IIANPFDCSA-N 0 0 247.338 3.316 20 10 BGCDRN CC/C(C)=C(/C)C(=O)N[C@@H](C)c1ccccc1O ZINC000827970143 645089290 /nfs/dbraw/zinc/08/92/90/645089290.db2.gz XORQDQWRARFUFE-WEHUKYGOSA-N 0 0 247.338 3.316 20 10 BGCDRN CC(C)C[C@@H](C)C(=O)N[C@@H](C)c1ccccc1O ZINC000827970150 645089218 /nfs/dbraw/zinc/08/92/18/645089218.db2.gz XSBZINACOXIGQE-NEPJUHHUSA-N 0 0 249.354 3.252 20 10 BGCDRN CC(C)C[C@H](C)C(=O)N[C@@H](C)c1ccccc1O ZINC000827970151 645089915 /nfs/dbraw/zinc/08/99/15/645089915.db2.gz XSBZINACOXIGQE-RYUDHWBXSA-N 0 0 249.354 3.252 20 10 BGCDRN CC(C)C(C)(C)C(=O)N[C@@H](C)c1ccccc1O ZINC000827970205 645089340 /nfs/dbraw/zinc/08/93/40/645089340.db2.gz ZRGMDKREHNEIOC-NSHDSACASA-N 0 0 249.354 3.252 20 10 BGCDRN CCC(CC)CC(=O)N[C@@H](C)c1ccccc1O ZINC000827972895 587414202 /nfs/dbraw/zinc/41/42/02/587414202.db2.gz CFLKAVIAUINBFZ-NSHDSACASA-N 0 0 249.354 3.396 20 10 BGCDRN CCCC1(C(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC000827972991 587414179 /nfs/dbraw/zinc/41/41/79/587414179.db2.gz FIMRHQIREHICBO-NSHDSACASA-N 0 0 247.338 3.150 20 10 BGCDRN CCC1(C(=O)N[C@@H](C)c2ccccc2O)CCC1 ZINC000827972996 587414132 /nfs/dbraw/zinc/41/41/32/587414132.db2.gz FPTOQNKVAMELJI-NSHDSACASA-N 0 0 247.338 3.150 20 10 BGCDRN C[C@H](NC(=O)CCC1CCC1)c1ccccc1O ZINC000827973009 587414124 /nfs/dbraw/zinc/41/41/24/587414124.db2.gz GKQCGOKYLBLJIN-NSHDSACASA-N 0 0 247.338 3.150 20 10 BGCDRN CCC(=CC(=O)N[C@@H](C)c1ccccc1O)CC ZINC000827973410 587414171 /nfs/dbraw/zinc/41/41/71/587414171.db2.gz OUDHHOBEXDNJJC-NSHDSACASA-N 0 0 247.338 3.316 20 10 BGCDRN C[C@H](NC(=O)CCC(C)(C)C)c1ccccc1O ZINC000827973600 587414204 /nfs/dbraw/zinc/41/42/04/587414204.db2.gz UMQATCPAJJAIGV-NSHDSACASA-N 0 0 249.354 3.396 20 10 BGCDRN CCC(C)(C)CC(=O)N[C@@H](C)c1ccccc1O ZINC000827973658 587414041 /nfs/dbraw/zinc/41/40/41/587414041.db2.gz VYVHSSYXVZRXBZ-NSHDSACASA-N 0 0 249.354 3.396 20 10 BGCDRN CC1=C(C(=O)N[C@@H](C)c2ccccc2O)CCC1 ZINC000827973673 587414182 /nfs/dbraw/zinc/41/41/82/587414182.db2.gz WETDUAXGXWBGCT-NSHDSACASA-N 0 0 245.322 3.070 20 10 BGCDRN CCC[C@@H](C)CC(=O)N[C@@H](C)c1ccccc1O ZINC000827977869 587414735 /nfs/dbraw/zinc/41/47/35/587414735.db2.gz ALMQKDIDEQPNJW-NEPJUHHUSA-N 0 0 249.354 3.396 20 10 BGCDRN CCC[C@H](C)CC(=O)N[C@@H](C)c1ccccc1O ZINC000827977870 587414603 /nfs/dbraw/zinc/41/46/03/587414603.db2.gz ALMQKDIDEQPNJW-RYUDHWBXSA-N 0 0 249.354 3.396 20 10 BGCDRN CCC[C@@H](C)C(=O)N[C@@H](C)c1ccccc1O ZINC000827978015 587413881 /nfs/dbraw/zinc/41/38/81/587413881.db2.gz GJGZPQPIKGPAFM-MNOVXSKESA-N 0 0 235.327 3.006 20 10 BGCDRN CCC[C@H](C)C(=O)N[C@@H](C)c1ccccc1O ZINC000827978016 587414476 /nfs/dbraw/zinc/41/44/76/587414476.db2.gz GJGZPQPIKGPAFM-QWRGUYRKSA-N 0 0 235.327 3.006 20 10 BGCDRN C[C@H](NC(=O)C1(C)CCCC1)c1ccccc1O ZINC000827978056 587414733 /nfs/dbraw/zinc/41/47/33/587414733.db2.gz HVYSOLNUPJNCDE-NSHDSACASA-N 0 0 247.338 3.150 20 10 BGCDRN C[C@H](CC(=O)N[C@@H](C)c1ccccc1O)C1CC1 ZINC000827978173 587414713 /nfs/dbraw/zinc/41/47/13/587414713.db2.gz JXHALKJLEZHFGW-MNOVXSKESA-N 0 0 247.338 3.006 20 10 BGCDRN C[C@@H](CC(=O)N[C@@H](C)c1ccccc1O)C1CC1 ZINC000827978174 587414534 /nfs/dbraw/zinc/41/45/34/587414534.db2.gz JXHALKJLEZHFGW-QWRGUYRKSA-N 0 0 247.338 3.006 20 10 BGCDRN CCC(C)(C)C(=O)N[C@@H](C)c1ccccc1O ZINC000827978207 587414578 /nfs/dbraw/zinc/41/45/78/587414578.db2.gz KSBZBWYSCXYXLL-JTQLQIEISA-N 0 0 235.327 3.006 20 10 BGCDRN C[C@H](NC(=O)/C=C\C(C)(C)C)c1ccccc1O ZINC000827978309 587414535 /nfs/dbraw/zinc/41/45/35/587414535.db2.gz PCSWNESFSGCTOG-JUDLJHIGSA-N 0 0 247.338 3.172 20 10 BGCDRN C[C@H](NC(=O)/C=C/C(C)(C)C)c1ccccc1O ZINC000827978310 587414497 /nfs/dbraw/zinc/41/44/97/587414497.db2.gz PCSWNESFSGCTOG-USKTWTLRSA-N 0 0 247.338 3.172 20 10 BGCDRN CCC/C(C)=C/C(=O)N[C@@H](C)c1ccccc1O ZINC000827978322 587414601 /nfs/dbraw/zinc/41/46/01/587414601.db2.gz PNMYRQOVYSYCKB-IIANPFDCSA-N 0 0 247.338 3.316 20 10 BGCDRN CCC/C(C)=C\C(=O)N[C@@H](C)c1ccccc1O ZINC000827978323 587414494 /nfs/dbraw/zinc/41/44/94/587414494.db2.gz PNMYRQOVYSYCKB-WEHUKYGOSA-N 0 0 247.338 3.316 20 10 BGCDRN C[C@H](NC(=O)[C@@H](C)C(C)(C)C)c1ccccc1O ZINC000827978596 587414305 /nfs/dbraw/zinc/41/43/05/587414305.db2.gz XXJXRULEFHKMLH-MNOVXSKESA-N 0 0 249.354 3.252 20 10 BGCDRN C[C@@H](C(=O)N[C@@H](C)c1ccccc1O)C(C)(C)C ZINC000827978597 587414527 /nfs/dbraw/zinc/41/45/27/587414527.db2.gz XXJXRULEFHKMLH-QWRGUYRKSA-N 0 0 249.354 3.252 20 10 BGCDRN C[C@H](NC(=O)C=C1CCCC1)c1ccccc1O ZINC000827981990 587414957 /nfs/dbraw/zinc/41/49/57/587414957.db2.gz KEAFEMDXYGAIPO-NSHDSACASA-N 0 0 245.322 3.070 20 10 BGCDRN CCCCCC(=O)N[C@@H](C)c1ccccc1O ZINC000827982040 587414929 /nfs/dbraw/zinc/41/49/29/587414929.db2.gz LRVDOSIMKJOYMI-NSHDSACASA-N 0 0 235.327 3.150 20 10 BGCDRN CCC(CC)C(=O)N[C@@H](C)c1ccccc1O ZINC000827982290 587414916 /nfs/dbraw/zinc/41/49/16/587414916.db2.gz RFTFEBOTZNITTR-JTQLQIEISA-N 0 0 235.327 3.006 20 10 BGCDRN C[C@H](NC(=O)CC(C)(C)C)c1ccccc1O ZINC000827982490 587415152 /nfs/dbraw/zinc/41/51/52/587415152.db2.gz VVLBQCXELLPLTR-JTQLQIEISA-N 0 0 235.327 3.006 20 10 BGCDRN CC(C)CCC(=O)N[C@@H](C)c1ccccc1O ZINC000827984351 587415142 /nfs/dbraw/zinc/41/51/42/587415142.db2.gz BRYXDGGZJZNROE-NSHDSACASA-N 0 0 235.327 3.006 20 10 BGCDRN CCC[C@@H](CC)C(=O)N[C@@H](C)c1ccccc1O ZINC000827984355 587415246 /nfs/dbraw/zinc/41/52/46/587415246.db2.gz BUSRQWWRKZCGNO-NWDGAFQWSA-N 0 0 249.354 3.396 20 10 BGCDRN CCC[C@H](CC)C(=O)N[C@@H](C)c1ccccc1O ZINC000827984356 587415132 /nfs/dbraw/zinc/41/51/32/587415132.db2.gz BUSRQWWRKZCGNO-RYUDHWBXSA-N 0 0 249.354 3.396 20 10 BGCDRN C[C@H](NC(=O)C1CCCCC1)c1ccccc1O ZINC000827986335 587415712 /nfs/dbraw/zinc/41/57/12/587415712.db2.gz PMIOPUYGWOTCSY-NSHDSACASA-N 0 0 247.338 3.150 20 10 BGCDRN C[C@H](NC(=O)CC1CCCC1)c1ccccc1O ZINC000827986746 587415476 /nfs/dbraw/zinc/41/54/76/587415476.db2.gz QIPOOSJVWXONTG-NSHDSACASA-N 0 0 247.338 3.150 20 10 BGCDRN C[C@@H](NC(=O)CCC1(C)CC1)c1ccccc1O ZINC000828538814 587449267 /nfs/dbraw/zinc/44/92/67/587449267.db2.gz ASRWJIZSJAWBFH-LLVKDONJSA-N 0 0 247.338 3.150 20 10 BGCDRN C[C@H](NC(=O)CCC1(C)CC1)c1ccccc1O ZINC000828538815 587449136 /nfs/dbraw/zinc/44/91/36/587449136.db2.gz ASRWJIZSJAWBFH-NSHDSACASA-N 0 0 247.338 3.150 20 10 BGCDRN CCC(CC)(CC)NC(=O)C1=CC(=O)CS1 ZINC000828665926 587456611 /nfs/dbraw/zinc/45/66/11/587456611.db2.gz LJOZHRZODJKMLU-UHFFFAOYSA-N 0 0 241.356 3.152 20 10 BGCDRN CC(=O)CCCCCSc1nccs1 ZINC000829092699 587482905 /nfs/dbraw/zinc/48/29/05/587482905.db2.gz LNWUHONRUYVWAD-UHFFFAOYSA-N 0 0 229.370 3.385 20 10 BGCDRN CCc1nc(C)c(CSc2nccs2)o1 ZINC000829100164 587482882 /nfs/dbraw/zinc/48/28/82/587482882.db2.gz LYWQZFMCQXJERG-UHFFFAOYSA-N 0 0 240.353 3.294 20 10 BGCDRN CC[C@H]([NH2+][C@H]1C=CCC1)c1ccccc1O ZINC000829346735 582856848 /nfs/dbraw/zinc/85/68/48/582856848.db2.gz CCBHHQWQKSLOIP-AAEUAGOBSA-N 0 0 217.312 3.152 20 10 BGCDRN CC[C@@H]([NH2+][C@@H]1C=CCC1)c1ccccc1O ZINC000829346736 582856953 /nfs/dbraw/zinc/85/69/53/582856953.db2.gz CCBHHQWQKSLOIP-DGCLKSJQSA-N 0 0 217.312 3.152 20 10 BGCDRN CC[C@@H]([NH2+][C@H]1C=CCC1)c1ccccc1O ZINC000829346737 582856939 /nfs/dbraw/zinc/85/69/39/582856939.db2.gz CCBHHQWQKSLOIP-WCQYABFASA-N 0 0 217.312 3.152 20 10 BGCDRN CC[C@H]([NH2+][C@@H]1C=CCC1)c1ccccc1O ZINC000829346738 582856856 /nfs/dbraw/zinc/85/68/56/582856856.db2.gz CCBHHQWQKSLOIP-YPMHNXCESA-N 0 0 217.312 3.152 20 10 BGCDRN CCCCCSc1ncc(C(=O)OC)s1 ZINC000829677516 587509009 /nfs/dbraw/zinc/50/90/09/587509009.db2.gz ARHAZFVBLHNTBS-UHFFFAOYSA-N 0 0 245.369 3.212 20 10 BGCDRN CCC(CC)Sc1ncc(C(=O)OC)s1 ZINC000829677942 587506671 /nfs/dbraw/zinc/50/66/71/587506671.db2.gz SBWCQCZVNJUNQK-UHFFFAOYSA-N 0 0 245.369 3.210 20 10 BGCDRN CC[C@@H](C)CSc1ncc(C(=O)OC)s1 ZINC000829680881 587508832 /nfs/dbraw/zinc/50/88/32/587508832.db2.gz HLXLAROYMAZVGB-SSDOTTSWSA-N 0 0 245.369 3.068 20 10 BGCDRN CC[C@H](C)CSc1ncc(C(=O)OC)s1 ZINC000829680882 587508797 /nfs/dbraw/zinc/50/87/97/587508797.db2.gz HLXLAROYMAZVGB-ZETCQYMHSA-N 0 0 245.369 3.068 20 10 BGCDRN CCC[C@@H](C)Sc1ncc(C(=O)OC)s1 ZINC000829680939 587509007 /nfs/dbraw/zinc/50/90/07/587509007.db2.gz JDCXUNXSIZZSHJ-SSDOTTSWSA-N 0 0 245.369 3.210 20 10 BGCDRN CCC[C@H](C)Sc1ncc(C(=O)OC)s1 ZINC000829680940 587508925 /nfs/dbraw/zinc/50/89/25/587508925.db2.gz JDCXUNXSIZZSHJ-ZETCQYMHSA-N 0 0 245.369 3.210 20 10 BGCDRN COC(=O)c1cnc(SCCC(C)C)s1 ZINC000829684669 587509200 /nfs/dbraw/zinc/50/92/00/587509200.db2.gz XOWWVYPQUQKRHE-UHFFFAOYSA-N 0 0 245.369 3.068 20 10 BGCDRN COc1ccc(N(CCCF)CC2CC2)cc1 ZINC000831587828 587620119 /nfs/dbraw/zinc/62/01/19/587620119.db2.gz MQHCGHIXROENRB-UHFFFAOYSA-N 0 0 237.318 3.271 20 10 BGCDRN CC[C@@H](N[C@H](C)c1cc(F)ccc1O)C(F)F ZINC000834826165 584915210 /nfs/dbraw/zinc/91/52/10/584915210.db2.gz DPCWJCGORJCXPZ-GMSGAONNSA-N 0 0 247.260 3.226 20 10 BGCDRN CC[C@@H](N[C@@H](C)c1cc(F)ccc1O)C(F)F ZINC000834826187 584915077 /nfs/dbraw/zinc/91/50/77/584915077.db2.gz DPCWJCGORJCXPZ-OIBJUYFYSA-N 0 0 247.260 3.226 20 10 BGCDRN CC[C@H](N[C@H](C)c1cc(F)ccc1O)C(F)F ZINC000834826193 584915104 /nfs/dbraw/zinc/91/51/04/584915104.db2.gz DPCWJCGORJCXPZ-XCBNKYQSSA-N 0 0 247.260 3.226 20 10 BGCDRN CC[C@H](N[C@@H](C)c1cc(F)ccc1O)C(F)F ZINC000834826199 584915100 /nfs/dbraw/zinc/91/51/00/584915100.db2.gz DPCWJCGORJCXPZ-XVKPBYJWSA-N 0 0 247.260 3.226 20 10 BGCDRN CC[C@@H](N[C@H](C)c1ccccc1O)C(F)F ZINC000834826593 587768043 /nfs/dbraw/zinc/76/80/43/587768043.db2.gz FLGOEDMSYYPVTM-PSASIEDQSA-N 0 0 229.270 3.087 20 10 BGCDRN CC[C@H](N[C@H](C)c1ccccc1O)C(F)F ZINC000834826594 587768011 /nfs/dbraw/zinc/76/80/11/587768011.db2.gz FLGOEDMSYYPVTM-SCZZXKLOSA-N 0 0 229.270 3.087 20 10 BGCDRN CC[C@@H](N[C@@H](C)c1ccccc1O)C(F)F ZINC000834826595 587768065 /nfs/dbraw/zinc/76/80/65/587768065.db2.gz FLGOEDMSYYPVTM-WCBMZHEXSA-N 0 0 229.270 3.087 20 10 BGCDRN CC[C@H](N[C@@H](C)c1ccccc1O)C(F)F ZINC000834826596 587767917 /nfs/dbraw/zinc/76/79/17/587767917.db2.gz FLGOEDMSYYPVTM-WPRPVWTQSA-N 0 0 229.270 3.087 20 10 BGCDRN CC[C@@H](N[C@@H]1CCc2cccc(O)c21)C(F)F ZINC000834826597 587768052 /nfs/dbraw/zinc/76/80/52/587768052.db2.gz FLRJTIAUUHDFCX-NXEZZACHSA-N 0 0 241.281 3.013 20 10 BGCDRN CC[C@H](N[C@H]1CCc2cccc(O)c21)C(F)F ZINC000834826598 587767893 /nfs/dbraw/zinc/76/78/93/587767893.db2.gz FLRJTIAUUHDFCX-UWVGGRQHSA-N 0 0 241.281 3.013 20 10 BGCDRN CC[C@H](N[C@@H]1CCc2cccc(O)c21)C(F)F ZINC000834826599 587767958 /nfs/dbraw/zinc/76/79/58/587767958.db2.gz FLRJTIAUUHDFCX-VHSXEESVSA-N 0 0 241.281 3.013 20 10 BGCDRN CC[C@@H](N[C@H]1CCc2cccc(O)c21)C(F)F ZINC000834826600 587767920 /nfs/dbraw/zinc/76/79/20/587767920.db2.gz FLRJTIAUUHDFCX-ZJUUUORDSA-N 0 0 241.281 3.013 20 10 BGCDRN CC[C@@H](N[C@@H](C)c1ccc(C)cc1O)C(F)F ZINC000834828538 587767977 /nfs/dbraw/zinc/76/79/77/587767977.db2.gz VHHPUTOHVIFHKX-GXSJLCMTSA-N 0 0 243.297 3.395 20 10 BGCDRN CC[C@H](N[C@H](C)c1ccc(C)cc1O)C(F)F ZINC000834828540 587767864 /nfs/dbraw/zinc/76/78/64/587767864.db2.gz VHHPUTOHVIFHKX-KOLCDFICSA-N 0 0 243.297 3.395 20 10 BGCDRN CC[C@@H](N[C@H](C)c1ccc(C)cc1O)C(F)F ZINC000834828542 587767909 /nfs/dbraw/zinc/76/79/09/587767909.db2.gz VHHPUTOHVIFHKX-MWLCHTKSSA-N 0 0 243.297 3.395 20 10 BGCDRN CC[C@H](N[C@@H](C)c1ccc(C)cc1O)C(F)F ZINC000834828543 587768091 /nfs/dbraw/zinc/76/80/91/587768091.db2.gz VHHPUTOHVIFHKX-ONGXEEELSA-N 0 0 243.297 3.395 20 10 BGCDRN CC[C@@H](N[C@@H](C)c1cc(C)ccc1O)C(F)F ZINC000834828597 587768100 /nfs/dbraw/zinc/76/81/00/587768100.db2.gz WGRLMTCIBLSQQI-GXSJLCMTSA-N 0 0 243.297 3.395 20 10 BGCDRN CC[C@H](N[C@H](C)c1cc(C)ccc1O)C(F)F ZINC000834828598 587768335 /nfs/dbraw/zinc/76/83/35/587768335.db2.gz WGRLMTCIBLSQQI-KOLCDFICSA-N 0 0 243.297 3.395 20 10 BGCDRN CC[C@@H](N[C@H](C)c1cc(C)ccc1O)C(F)F ZINC000834828600 587768276 /nfs/dbraw/zinc/76/82/76/587768276.db2.gz WGRLMTCIBLSQQI-MWLCHTKSSA-N 0 0 243.297 3.395 20 10 BGCDRN CC[C@H](N[C@@H](C)c1cc(C)ccc1O)C(F)F ZINC000834828601 587768150 /nfs/dbraw/zinc/76/81/50/587768150.db2.gz WGRLMTCIBLSQQI-ONGXEEELSA-N 0 0 243.297 3.395 20 10 BGCDRN CC[C@@H](N[C@H](C)c1ccc(F)cc1O)C(F)F ZINC000834828784 587768279 /nfs/dbraw/zinc/76/82/79/587768279.db2.gz ZRIZQKFNKIMHDH-GMSGAONNSA-N 0 0 247.260 3.226 20 10 BGCDRN CC[C@@H](N[C@@H](C)c1ccc(F)cc1O)C(F)F ZINC000834828785 584915202 /nfs/dbraw/zinc/91/52/02/584915202.db2.gz ZRIZQKFNKIMHDH-OIBJUYFYSA-N 0 0 247.260 3.226 20 10 BGCDRN CC[C@H](N[C@H](C)c1ccc(F)cc1O)C(F)F ZINC000834828786 584915179 /nfs/dbraw/zinc/91/51/79/584915179.db2.gz ZRIZQKFNKIMHDH-XCBNKYQSSA-N 0 0 247.260 3.226 20 10 BGCDRN CC[C@H](N[C@@H](C)c1ccc(F)cc1O)C(F)F ZINC000834828787 584915235 /nfs/dbraw/zinc/91/52/35/584915235.db2.gz ZRIZQKFNKIMHDH-XVKPBYJWSA-N 0 0 247.260 3.226 20 10 BGCDRN CCC1([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000834875943 587769155 /nfs/dbraw/zinc/76/91/55/587769155.db2.gz VZYPAVIQLJXXHM-MRVPVSSYSA-N 0 0 241.281 3.264 20 10 BGCDRN CCC1([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000834875944 587769068 /nfs/dbraw/zinc/76/90/68/587769068.db2.gz VZYPAVIQLJXXHM-QMMMGPOBSA-N 0 0 241.281 3.264 20 10 BGCDRN CC/C=C/C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000834877716 587769172 /nfs/dbraw/zinc/76/91/72/587769172.db2.gz RQBNHBXYHYDPMH-MOVJSRMASA-N 0 0 241.281 3.287 20 10 BGCDRN CC/C=C\C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000834877717 587768972 /nfs/dbraw/zinc/76/89/72/587768972.db2.gz RQBNHBXYHYDPMH-WBSSQXGSSA-N 0 0 241.281 3.287 20 10 BGCDRN CC/C=C/C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000834877719 587769024 /nfs/dbraw/zinc/76/90/24/587769024.db2.gz RQBNHBXYHYDPMH-XNPJLODASA-N 0 0 241.281 3.287 20 10 BGCDRN CC/C=C\C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000834877720 587769115 /nfs/dbraw/zinc/76/91/15/587769115.db2.gz RQBNHBXYHYDPMH-XRVBUDJMSA-N 0 0 241.281 3.287 20 10 BGCDRN C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1ccc(F)cc1[O-] ZINC000834906137 587770393 /nfs/dbraw/zinc/77/03/93/587770393.db2.gz NBBJJKKZYVVURY-PUYPPJJSSA-N 0 0 249.329 3.228 20 10 BGCDRN CN(C)c1ccc(/C=C/C[N@@H+]2CCC2(C)C)cc1 ZINC000835029780 587778989 /nfs/dbraw/zinc/77/89/89/587778989.db2.gz SGGCQTKJHWCHQR-AATRIKPKSA-N 0 0 244.382 3.250 20 10 BGCDRN CN(C)c1ccc(/C=C\C[N@@H+]2CCC2(C)C)cc1 ZINC000835029782 587779118 /nfs/dbraw/zinc/77/91/18/587779118.db2.gz SGGCQTKJHWCHQR-WAYWQWQTSA-N 0 0 244.382 3.250 20 10 BGCDRN CCC1C[NH+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000835074054 587780120 /nfs/dbraw/zinc/78/01/20/587780120.db2.gz GHPDGKJLTQXAMP-UHFFFAOYSA-N 0 0 243.709 3.027 20 10 BGCDRN CCC1C[NH+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000835075359 587780158 /nfs/dbraw/zinc/78/01/58/587780158.db2.gz RSSMITVNVQIRJG-UHFFFAOYSA-N 0 0 243.709 3.027 20 10 BGCDRN CCC1C[NH+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000835075364 587780269 /nfs/dbraw/zinc/78/02/69/587780269.db2.gz RTXDIRNZYCGHIA-UHFFFAOYSA-N 0 0 243.709 3.027 20 10 BGCDRN CC(C)n1ccnc1Sc1nccs1 ZINC000836530507 587834800 /nfs/dbraw/zinc/83/48/00/587834800.db2.gz DXAWVUBVRSEXIJ-UHFFFAOYSA-N 0 0 225.342 3.072 20 10 BGCDRN CC(C)CCCCC(=O)NCc1ccccc1O ZINC000837481980 587876440 /nfs/dbraw/zinc/87/64/40/587876440.db2.gz TUDNDZWPUKZBOD-UHFFFAOYSA-N 0 0 249.354 3.225 20 10 BGCDRN [O-]c1c(F)cccc1C[NH+]1CC2(C1)CCCCC2 ZINC000839132412 585094193 /nfs/dbraw/zinc/09/41/93/585094193.db2.gz PDHGXTNSBYPIEL-UHFFFAOYSA-N 0 0 249.329 3.297 20 10 BGCDRN CCC1(C)C[NH+](Cc2cccc(Cl)c2[O-])C1 ZINC000839142951 585094952 /nfs/dbraw/zinc/09/49/52/585094952.db2.gz LLFNIDGZJXTSHR-UHFFFAOYSA-N 0 0 239.746 3.278 20 10 BGCDRN C[C@H](CC(C)(C)C)NC(=O)C1=CC(=O)CS1 ZINC000839792646 585410839 /nfs/dbraw/zinc/41/08/39/585410839.db2.gz QRJLFAMYKZICHA-MRVPVSSYSA-N 0 0 241.356 3.008 20 10 BGCDRN C[C@@H](CC(C)(C)C)NC(=O)C1=CC(=O)CS1 ZINC000839792650 585411417 /nfs/dbraw/zinc/41/14/17/585411417.db2.gz QRJLFAMYKZICHA-QMMMGPOBSA-N 0 0 241.356 3.008 20 10 BGCDRN c1csc(SCCOCC2CCCC2)n1 ZINC000840192772 644896403 /nfs/dbraw/zinc/89/64/03/644896403.db2.gz FNPVAJBRYQKHFJ-UHFFFAOYSA-N 0 0 243.397 3.442 20 10 BGCDRN CC(C)OC1CC(Sc2nccs2)C1 ZINC000840192836 586535288 /nfs/dbraw/zinc/53/52/88/586535288.db2.gz GEBYKOGYUMAJHA-UHFFFAOYSA-N 0 0 229.370 3.191 20 10 BGCDRN CC1(C)CCC[C@@H](Sc2nccs2)C1=O ZINC000840192907 586535394 /nfs/dbraw/zinc/53/53/94/586535394.db2.gz HULXPIYTHNMWBN-MRVPVSSYSA-N 0 0 241.381 3.383 20 10 BGCDRN CC1(C)CCC[C@H](Sc2nccs2)C1=O ZINC000840192908 586535297 /nfs/dbraw/zinc/53/52/97/586535297.db2.gz HULXPIYTHNMWBN-QMMMGPOBSA-N 0 0 241.381 3.383 20 10 BGCDRN CC1(C)C[C@H](Sc2nccs2)CCO1 ZINC000840193780 586537452 /nfs/dbraw/zinc/53/74/52/586537452.db2.gz PBHWTUJEZAETQT-MRVPVSSYSA-N 0 0 229.370 3.193 20 10 BGCDRN CC1(C)C[C@@H](Sc2nccs2)CCO1 ZINC000840193784 586537137 /nfs/dbraw/zinc/53/71/37/586537137.db2.gz PBHWTUJEZAETQT-QMMMGPOBSA-N 0 0 229.370 3.193 20 10 BGCDRN COC(=O)c1cnc(S[C@H](C)C(C)C)s1 ZINC000840210306 644903998 /nfs/dbraw/zinc/90/39/98/644903998.db2.gz WARQLISQXYEAGT-SSDOTTSWSA-N 0 0 245.369 3.066 20 10 BGCDRN COC(=O)c1cnc(S[C@@H](C)C(C)C)s1 ZINC000840210307 644903534 /nfs/dbraw/zinc/90/35/34/644903534.db2.gz WARQLISQXYEAGT-ZETCQYMHSA-N 0 0 245.369 3.066 20 10 BGCDRN C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccc(F)cc1[O-] ZINC000840822637 587923282 /nfs/dbraw/zinc/92/32/82/587923282.db2.gz WKORCDDPEAPNED-DJBIQUGXSA-N 0 0 249.329 3.371 20 10 BGCDRN C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccc(F)cc1[O-] ZINC000840822640 587923165 /nfs/dbraw/zinc/92/31/65/587923165.db2.gz WKORCDDPEAPNED-JYILRKAJSA-N 0 0 249.329 3.371 20 10 BGCDRN C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(F)cc1[O-] ZINC000840822641 587923136 /nfs/dbraw/zinc/92/31/36/587923136.db2.gz WKORCDDPEAPNED-XYHOJCAOSA-N 0 0 249.329 3.371 20 10 BGCDRN CC[C@H]([NH2+][C@H]1CC1(C)C)c1ccc(F)cc1[O-] ZINC000840851380 587925730 /nfs/dbraw/zinc/92/57/30/587925730.db2.gz JETRKYRFENJCOM-AAEUAGOBSA-N 0 0 237.318 3.371 20 10 BGCDRN CC[C@@H]([NH2+][C@H]1CC1(C)C)c1ccc(F)cc1[O-] ZINC000840851381 587925772 /nfs/dbraw/zinc/92/57/72/587925772.db2.gz JETRKYRFENJCOM-YPMHNXCESA-N 0 0 237.318 3.371 20 10 BGCDRN C[C@H]([NH2+][C@H]1CC1(C)C)c1cc(F)cc(F)c1[O-] ZINC000840851831 587925422 /nfs/dbraw/zinc/92/54/22/587925422.db2.gz RTVKRVVKFVYTPS-CPCISQLKSA-N 0 0 241.281 3.120 20 10 BGCDRN C[C@@H]([NH2+][C@H]1CC1(C)C)c1cc(F)cc(F)c1[O-] ZINC000840851834 587925458 /nfs/dbraw/zinc/92/54/58/587925458.db2.gz RTVKRVVKFVYTPS-HQJQHLMTSA-N 0 0 241.281 3.120 20 10 BGCDRN Cc1cc(N(C)C)ccc1CNc1cccnc1 ZINC000840878373 587927604 /nfs/dbraw/zinc/92/76/04/587927604.db2.gz HAJFBPZCBGFBJQ-UHFFFAOYSA-N 0 0 241.338 3.068 20 10 BGCDRN Cc1cc(N(C)C)ccc1CNc1nccs1 ZINC000840880388 582902577 /nfs/dbraw/zinc/90/25/77/582902577.db2.gz UADANUPARDTIPT-UHFFFAOYSA-N 0 0 247.367 3.130 20 10 BGCDRN COc1ccc2c(c1)CCN2Cc1ccoc1C ZINC000840907376 587928943 /nfs/dbraw/zinc/92/89/43/587928943.db2.gz DDEFGIYMIZAKNZ-UHFFFAOYSA-N 0 0 243.306 3.159 20 10 BGCDRN Cc1cc(O)c(C[N@H+]2CC[C@@H](C)C2)c(Cl)c1 ZINC000840911794 587929798 /nfs/dbraw/zinc/92/97/98/587929798.db2.gz RFNBENFHJJMLHM-SECBINFHSA-N 0 0 239.746 3.196 20 10 BGCDRN Cc1cc(O)c(C[N@H+]2CC[C@H](C)C2)c(Cl)c1 ZINC000840911795 587929616 /nfs/dbraw/zinc/92/96/16/587929616.db2.gz RFNBENFHJJMLHM-VIFPVBQESA-N 0 0 239.746 3.196 20 10 BGCDRN Cc1cc(O)c(CN(C)CC(F)F)c(Cl)c1 ZINC000840912751 587929876 /nfs/dbraw/zinc/92/98/76/587929876.db2.gz VEDNXNIBRMIYMG-UHFFFAOYSA-N 0 0 249.688 3.051 20 10 BGCDRN COc1ccc(N(C)Cc2ccoc2C)cc1F ZINC000840936914 587930503 /nfs/dbraw/zinc/93/05/03/587930503.db2.gz OCFUHICSCXIORO-UHFFFAOYSA-N 0 0 249.285 3.372 20 10 BGCDRN Cc1cc(N(C)C)ccc1CN1CCC=C(F)C1 ZINC000840937618 587930794 /nfs/dbraw/zinc/93/07/94/587930794.db2.gz SOLFRCGGEBXFRF-UHFFFAOYSA-N 0 0 248.345 3.120 20 10 BGCDRN Cc1cc(O)c(CNCC(C)(F)F)c(Cl)c1 ZINC000840948651 583177377 /nfs/dbraw/zinc/17/73/77/583177377.db2.gz HIFBICGTGOGQNG-UHFFFAOYSA-N 0 0 249.688 3.099 20 10 BGCDRN CCC1C[NH+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840953282 587931904 /nfs/dbraw/zinc/93/19/04/587931904.db2.gz NZDPLXAFFZOOFS-UHFFFAOYSA-N 0 0 239.746 3.196 20 10 BGCDRN Oc1ccccc1C[NH2+]C[C@@H]1CCC[C@@H]1C1CC1 ZINC000840955216 587931522 /nfs/dbraw/zinc/93/15/22/587931522.db2.gz UEPIGZUWOXKFMU-DZGCQCFKSA-N 0 0 245.366 3.308 20 10 BGCDRN Oc1ccccc1C[NH2+]C[C@H]1CCC[C@H]1C1CC1 ZINC000840955305 587931709 /nfs/dbraw/zinc/93/17/09/587931709.db2.gz UEPIGZUWOXKFMU-HIFRSBDPSA-N 0 0 245.366 3.308 20 10 BGCDRN Oc1ccccc1C[NH2+]C[C@H]1CCC[C@@H]1C1CC1 ZINC000840955306 587931682 /nfs/dbraw/zinc/93/16/82/587931682.db2.gz UEPIGZUWOXKFMU-UKRRQHHQSA-N 0 0 245.366 3.308 20 10 BGCDRN Oc1ccccc1C[NH2+]C[C@@H]1CCC[C@H]1C1CC1 ZINC000840955307 587931943 /nfs/dbraw/zinc/93/19/43/587931943.db2.gz UEPIGZUWOXKFMU-ZFWWWQNUSA-N 0 0 245.366 3.308 20 10 BGCDRN CC1(C)C[C@@H]1[NH2+]Cc1ccc2ccccc2c1O ZINC000840956133 587931755 /nfs/dbraw/zinc/93/17/55/587931755.db2.gz DLCXSOFZMOOERU-AWEZNQCLSA-N 0 0 241.334 3.434 20 10 BGCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000840978248 587933100 /nfs/dbraw/zinc/93/31/00/587933100.db2.gz NJBNQNZJNOGYFO-GFCCVEGCSA-N 0 0 249.329 3.153 20 10 BGCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000840978251 587933447 /nfs/dbraw/zinc/93/34/47/587933447.db2.gz NJBNQNZJNOGYFO-LBPRGKRZSA-N 0 0 249.329 3.153 20 10 BGCDRN Nc1ccc(NCc2cnc(C3CC3)s2)cc1 ZINC000841040117 587938280 /nfs/dbraw/zinc/93/82/80/587938280.db2.gz JBCMZMVJQYONFA-UHFFFAOYSA-N 0 0 245.351 3.215 20 10 BGCDRN CC(C)c1cnc(CNc2ccc(N)cc2)s1 ZINC000841040350 587938741 /nfs/dbraw/zinc/93/87/41/587938741.db2.gz PUYREFJOSGLBHF-UHFFFAOYSA-N 0 0 247.367 3.461 20 10 BGCDRN Nc1ccc(NC[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000841040351 587938436 /nfs/dbraw/zinc/93/84/36/587938436.db2.gz KQUFDQIQEFHMJD-BBRMVZONSA-N 0 0 238.334 3.484 20 10 BGCDRN Nc1ccc(NCc2scnc2C2CC2)cc1 ZINC000841040629 587938401 /nfs/dbraw/zinc/93/84/01/587938401.db2.gz QFOJLKWBVAZOAM-UHFFFAOYSA-N 0 0 245.351 3.215 20 10 BGCDRN CC(C)c1ncc(CNc2ccc(N)cc2)s1 ZINC000841040640 587938450 /nfs/dbraw/zinc/93/84/50/587938450.db2.gz WASOFAUNQAMGLT-UHFFFAOYSA-N 0 0 247.367 3.461 20 10 BGCDRN Cc1ccc(CCCNc2ccc(N)cc2)cn1 ZINC000841040805 587938377 /nfs/dbraw/zinc/93/83/77/587938377.db2.gz UNMRIDHAGGSXFZ-UHFFFAOYSA-N 0 0 241.338 3.017 20 10 BGCDRN CCC(CC)N(CC)C(=O)Nc1ccc(N)cc1 ZINC000841299327 587950596 /nfs/dbraw/zinc/95/05/96/587950596.db2.gz JJWIDMNCMIKPEU-UHFFFAOYSA-N 0 0 249.358 3.311 20 10 BGCDRN c1csc(SCCOCC2CCC2)n1 ZINC000841666558 587970899 /nfs/dbraw/zinc/97/08/99/587970899.db2.gz BDNKJRBVNDWYRS-UHFFFAOYSA-N 0 0 229.370 3.052 20 10 BGCDRN CO[C@@H](CSc1nccs1)CC(C)C ZINC000841669824 587971205 /nfs/dbraw/zinc/97/12/05/587971205.db2.gz YMUPZKUXYAVFNV-SECBINFHSA-N 0 0 231.386 3.296 20 10 BGCDRN CO[C@H](CSc1nccs1)CC(C)C ZINC000841669827 587971364 /nfs/dbraw/zinc/97/13/64/587971364.db2.gz YMUPZKUXYAVFNV-VIFPVBQESA-N 0 0 231.386 3.296 20 10 BGCDRN CCC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841743160 587973753 /nfs/dbraw/zinc/97/37/53/587973753.db2.gz DPHRPQSGGAREEU-MRVPVSSYSA-N 0 0 213.708 3.106 20 10 BGCDRN CCC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841743161 587973558 /nfs/dbraw/zinc/97/35/58/587973558.db2.gz DPHRPQSGGAREEU-QMMMGPOBSA-N 0 0 213.708 3.106 20 10 BGCDRN CC[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841743533 587973976 /nfs/dbraw/zinc/97/39/76/587973976.db2.gz ICSIEAALOXOKGV-BDAKNGLRSA-N 0 0 227.735 3.495 20 10 BGCDRN CC[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841743536 587973562 /nfs/dbraw/zinc/97/35/62/587973562.db2.gz ICSIEAALOXOKGV-DTWKUNHWSA-N 0 0 227.735 3.495 20 10 BGCDRN CC[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841743538 587973847 /nfs/dbraw/zinc/97/38/47/587973847.db2.gz ICSIEAALOXOKGV-IUCAKERBSA-N 0 0 227.735 3.495 20 10 BGCDRN CC[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841743540 587973719 /nfs/dbraw/zinc/97/37/19/587973719.db2.gz ICSIEAALOXOKGV-RKDXNWHRSA-N 0 0 227.735 3.495 20 10 BGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C1CC1 ZINC000841744144 587973869 /nfs/dbraw/zinc/97/38/69/587973869.db2.gz MINPDPQXLWTXEO-BDAKNGLRSA-N 0 0 239.746 3.495 20 10 BGCDRN C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc(Cl)cc1[O-] ZINC000841744145 587973576 /nfs/dbraw/zinc/97/35/76/587973576.db2.gz MINPDPQXLWTXEO-DTWKUNHWSA-N 0 0 239.746 3.495 20 10 BGCDRN C[C@H]([NH2+][C@@H](C)C1CC1)c1ccc(Cl)cc1[O-] ZINC000841744146 587973647 /nfs/dbraw/zinc/97/36/47/587973647.db2.gz MINPDPQXLWTXEO-IUCAKERBSA-N 0 0 239.746 3.495 20 10 BGCDRN C[C@@H]([NH2+][C@H](C)C1CC1)c1ccc(Cl)cc1[O-] ZINC000841744147 587973758 /nfs/dbraw/zinc/97/37/58/587973758.db2.gz MINPDPQXLWTXEO-RKDXNWHRSA-N 0 0 239.746 3.495 20 10 BGCDRN CCCC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841745142 587973692 /nfs/dbraw/zinc/97/36/92/587973692.db2.gz VEJUBDDMKIRXNN-SECBINFHSA-N 0 0 227.735 3.496 20 10 BGCDRN CCCC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841745143 587973903 /nfs/dbraw/zinc/97/39/03/587973903.db2.gz VEJUBDDMKIRXNN-VIFPVBQESA-N 0 0 227.735 3.496 20 10 BGCDRN C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccc(Cl)cc1[O-] ZINC000841745264 587973642 /nfs/dbraw/zinc/97/36/42/587973642.db2.gz PCVKLANFYFPMCM-GUBZILKMSA-N 0 0 239.746 3.352 20 10 BGCDRN C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccc(Cl)cc1[O-] ZINC000841745265 587973949 /nfs/dbraw/zinc/97/39/49/587973949.db2.gz PCVKLANFYFPMCM-KXUCPTDWSA-N 0 0 239.746 3.352 20 10 BGCDRN C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccc(Cl)cc1[O-] ZINC000841745266 587973893 /nfs/dbraw/zinc/97/38/93/587973893.db2.gz PCVKLANFYFPMCM-LPEHRKFASA-N 0 0 239.746 3.352 20 10 BGCDRN C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccc(Cl)cc1[O-] ZINC000841745267 587973809 /nfs/dbraw/zinc/97/38/09/587973809.db2.gz PCVKLANFYFPMCM-UTLUCORTSA-N 0 0 239.746 3.352 20 10 BGCDRN CC(C)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841745526 583992728 /nfs/dbraw/zinc/99/27/28/583992728.db2.gz ZSAKVQZLEMAQBK-SECBINFHSA-N 0 0 227.735 3.352 20 10 BGCDRN CC(C)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841745527 583992939 /nfs/dbraw/zinc/99/29/39/583992939.db2.gz ZSAKVQZLEMAQBK-VIFPVBQESA-N 0 0 227.735 3.352 20 10 BGCDRN C[C@@H]([NH2+]CC1CC1)c1ccc(Cl)cc1[O-] ZINC000841745801 587973973 /nfs/dbraw/zinc/97/39/73/587973973.db2.gz TWXPBSNOIAJRGQ-MRVPVSSYSA-N 0 0 225.719 3.106 20 10 BGCDRN C[C@H]([NH2+]CC1CC1)c1ccc(Cl)cc1[O-] ZINC000841745804 587973542 /nfs/dbraw/zinc/97/35/42/587973542.db2.gz TWXPBSNOIAJRGQ-QMMMGPOBSA-N 0 0 225.719 3.106 20 10 BGCDRN C[C@@H]([NH2+]CC1CCC1)c1ccc(Cl)cc1[O-] ZINC000841747305 587973883 /nfs/dbraw/zinc/97/38/83/587973883.db2.gz PWGJPYWBFQUGDY-SECBINFHSA-N 0 0 239.746 3.496 20 10 BGCDRN C[C@H]([NH2+]CC1CCC1)c1ccc(Cl)cc1[O-] ZINC000841747308 587973595 /nfs/dbraw/zinc/97/35/95/587973595.db2.gz PWGJPYWBFQUGDY-VIFPVBQESA-N 0 0 239.746 3.496 20 10 BGCDRN C[C@@H]([NH2+]C1CC(C)C1)c1ccc(Cl)cc1[O-] ZINC000841747358 587973517 /nfs/dbraw/zinc/97/35/17/587973517.db2.gz AOTWEYXLEVMKAK-INWMGODYSA-N 0 0 239.746 3.495 20 10 BGCDRN C[C@H]([NH2+]C1CC(C)C1)c1ccc(Cl)cc1[O-] ZINC000841747360 587973986 /nfs/dbraw/zinc/97/39/86/587973986.db2.gz AOTWEYXLEVMKAK-YUCVTWSNSA-N 0 0 239.746 3.495 20 10 BGCDRN C[C@@H]([NH2+]CC1(C)CC1)c1ccc(Cl)cc1[O-] ZINC000841747809 587973814 /nfs/dbraw/zinc/97/38/14/587973814.db2.gz DPPORLHSNQTWII-SECBINFHSA-N 0 0 239.746 3.496 20 10 BGCDRN C[C@H]([NH2+]CC1(C)CC1)c1ccc(Cl)cc1[O-] ZINC000841747810 587973812 /nfs/dbraw/zinc/97/38/12/587973812.db2.gz DPPORLHSNQTWII-VIFPVBQESA-N 0 0 239.746 3.496 20 10 BGCDRN C[C@@H]([NH2+]CCCF)c1ccc(Cl)cc1[O-] ZINC000841747881 587973529 /nfs/dbraw/zinc/97/35/29/587973529.db2.gz FHSZFAUMICLDNV-MRVPVSSYSA-N 0 0 231.698 3.056 20 10 BGCDRN C[C@H]([NH2+]CCCF)c1ccc(Cl)cc1[O-] ZINC000841747883 587973525 /nfs/dbraw/zinc/97/35/25/587973525.db2.gz FHSZFAUMICLDNV-QMMMGPOBSA-N 0 0 231.698 3.056 20 10 BGCDRN C[C@@H]([NH2+]C1CCC1)c1ccc(Cl)cc1[O-] ZINC000841748727 587973819 /nfs/dbraw/zinc/97/38/19/587973819.db2.gz MFCJWOJUZZYBSR-MRVPVSSYSA-N 0 0 225.719 3.249 20 10 BGCDRN C[C@H]([NH2+]C1CCC1)c1ccc(Cl)cc1[O-] ZINC000841748729 587973921 /nfs/dbraw/zinc/97/39/21/587973921.db2.gz MFCJWOJUZZYBSR-QMMMGPOBSA-N 0 0 225.719 3.249 20 10 BGCDRN C[C@@H]([NH2+]CCC1CC1)c1ccc(Cl)cc1[O-] ZINC000841752080 587973778 /nfs/dbraw/zinc/97/37/78/587973778.db2.gz QVQVJDVPTXMFIB-SECBINFHSA-N 0 0 239.746 3.496 20 10 BGCDRN C[C@H]([NH2+]CCC1CC1)c1ccc(Cl)cc1[O-] ZINC000841752082 587973665 /nfs/dbraw/zinc/97/36/65/587973665.db2.gz QVQVJDVPTXMFIB-VIFPVBQESA-N 0 0 239.746 3.496 20 10 BGCDRN C[C@@H]([NH2+][C@H]1CC1(C)C)c1ccc(Cl)cc1[O-] ZINC000841755707 587974372 /nfs/dbraw/zinc/97/43/72/587974372.db2.gz LPXSVMFZOVMQSD-PELKAZGASA-N 0 0 239.746 3.495 20 10 BGCDRN C[C@H]([NH2+][C@H]1CC1(C)C)c1ccc(Cl)cc1[O-] ZINC000841755709 587974449 /nfs/dbraw/zinc/97/44/49/587974449.db2.gz LPXSVMFZOVMQSD-UFBFGSQYSA-N 0 0 239.746 3.495 20 10 BGCDRN C[C@@H]([NH2+]CCCCF)c1ccc(Cl)cc1[O-] ZINC000841756894 587974326 /nfs/dbraw/zinc/97/43/26/587974326.db2.gz LGTXPBRSPQJGGS-SECBINFHSA-N 0 0 245.725 3.446 20 10 BGCDRN C[C@H]([NH2+]CCCCF)c1ccc(Cl)cc1[O-] ZINC000841756897 587974193 /nfs/dbraw/zinc/97/41/93/587974193.db2.gz LGTXPBRSPQJGGS-VIFPVBQESA-N 0 0 245.725 3.446 20 10 BGCDRN C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccc(Cl)cc1[O-] ZINC000841758033 587974083 /nfs/dbraw/zinc/97/40/83/587974083.db2.gz RFXYRVSUZQECCW-AUTRQRHGSA-N 0 0 239.746 3.495 20 10 BGCDRN C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccc(Cl)cc1[O-] ZINC000841758034 587974181 /nfs/dbraw/zinc/97/41/81/587974181.db2.gz RFXYRVSUZQECCW-HOTUBEGUSA-N 0 0 239.746 3.495 20 10 BGCDRN C[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccc(Cl)cc1[O-] ZINC000841758035 587974397 /nfs/dbraw/zinc/97/43/97/587974397.db2.gz RFXYRVSUZQECCW-PTRXPTGYSA-N 0 0 239.746 3.495 20 10 BGCDRN C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccc(Cl)cc1[O-] ZINC000841758036 584023303 /nfs/dbraw/zinc/02/33/03/584023303.db2.gz RFXYRVSUZQECCW-VDDIYKPWSA-N 0 0 239.746 3.495 20 10 BGCDRN C[C@@H](F)CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841759287 587974347 /nfs/dbraw/zinc/97/43/47/587974347.db2.gz YFWINZKNBVNSFE-BDAKNGLRSA-N 0 0 245.725 3.444 20 10 BGCDRN C[C@@H]([NH2+]CC[C@H](C)F)c1ccc(Cl)cc1[O-] ZINC000841759289 587974551 /nfs/dbraw/zinc/97/45/51/587974551.db2.gz YFWINZKNBVNSFE-DTWKUNHWSA-N 0 0 245.725 3.444 20 10 BGCDRN C[C@H](F)CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841759291 587974089 /nfs/dbraw/zinc/97/40/89/587974089.db2.gz YFWINZKNBVNSFE-IUCAKERBSA-N 0 0 245.725 3.444 20 10 BGCDRN C[C@@H](F)CC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841759292 587974506 /nfs/dbraw/zinc/97/45/06/587974506.db2.gz YFWINZKNBVNSFE-RKDXNWHRSA-N 0 0 245.725 3.444 20 10 BGCDRN C[C@@H](NCC(C)(F)F)c1ccc(Cl)cc1O ZINC000841759398 587974532 /nfs/dbraw/zinc/97/45/32/587974532.db2.gz ZDVHARDOZYJDEF-SSDOTTSWSA-N 0 0 249.688 3.351 20 10 BGCDRN C[C@H](NCC(C)(F)F)c1ccc(Cl)cc1O ZINC000841759400 587974419 /nfs/dbraw/zinc/97/44/19/587974419.db2.gz ZDVHARDOZYJDEF-ZETCQYMHSA-N 0 0 249.688 3.351 20 10 BGCDRN C[C@@H]([NH2+]C1CC=CC1)c1ccc(Cl)cc1[O-] ZINC000841760820 587974282 /nfs/dbraw/zinc/97/42/82/587974282.db2.gz VACCGXBTAJWOMA-SECBINFHSA-N 0 0 237.730 3.415 20 10 BGCDRN C[C@H]([NH2+]C1CC=CC1)c1ccc(Cl)cc1[O-] ZINC000841760824 587974540 /nfs/dbraw/zinc/97/45/40/587974540.db2.gz VACCGXBTAJWOMA-VIFPVBQESA-N 0 0 237.730 3.415 20 10 BGCDRN CC[C@@H](COc1ccc(N2CCCC2)cc1)OC ZINC000842033906 587991630 /nfs/dbraw/zinc/99/16/30/587991630.db2.gz HIJSYCWMWRKEEY-AWEZNQCLSA-N 0 0 249.354 3.091 20 10 BGCDRN CC[C@H](COc1ccc(N2CCCC2)cc1)OC ZINC000842033907 587991587 /nfs/dbraw/zinc/99/15/87/587991587.db2.gz HIJSYCWMWRKEEY-CQSZACIVSA-N 0 0 249.354 3.091 20 10 BGCDRN Cc1cncc(COc2ccc(N(C)C)cc2)c1 ZINC000842043522 645238685 /nfs/dbraw/zinc/23/86/85/645238685.db2.gz LVROIDREEVMLDM-UHFFFAOYSA-N 0 0 242.322 3.035 20 10 BGCDRN Cc1ccncc1COc1ccc(N(C)C)cc1 ZINC000842044046 587992539 /nfs/dbraw/zinc/99/25/39/587992539.db2.gz QAOLELISJAPNPN-UHFFFAOYSA-N 0 0 242.322 3.035 20 10 BGCDRN Cc1cccc(COc2ccc(N(C)C)cc2)n1 ZINC000842044688 587992418 /nfs/dbraw/zinc/99/24/18/587992418.db2.gz WJNGVACJUBKUDQ-UHFFFAOYSA-N 0 0 242.322 3.035 20 10 BGCDRN c1csc(SCCC[C@@H]2CCOC2)n1 ZINC000842547955 588041017 /nfs/dbraw/zinc/04/10/17/588041017.db2.gz BBICEBJILZLSBO-SECBINFHSA-N 0 0 229.370 3.052 20 10 BGCDRN c1csc(SCCC[C@H]2CCOC2)n1 ZINC000842547956 588041099 /nfs/dbraw/zinc/04/10/99/588041099.db2.gz BBICEBJILZLSBO-VIFPVBQESA-N 0 0 229.370 3.052 20 10 BGCDRN CC(C)CC(=O)CCSc1nccs1 ZINC000842548033 588040946 /nfs/dbraw/zinc/04/09/46/588040946.db2.gz FGCJBJPFQKBQNR-UHFFFAOYSA-N 0 0 229.370 3.241 20 10 BGCDRN Cc1cccc(CCSc2nccs2)n1 ZINC000842548533 588041457 /nfs/dbraw/zinc/04/14/57/588041457.db2.gz YJVGQTDXCSSNAC-UHFFFAOYSA-N 0 0 236.365 3.181 20 10 BGCDRN Cc1c(NCc2ccccc2O)n[nH]c1C(C)C ZINC000842748687 588059116 /nfs/dbraw/zinc/05/91/16/588059116.db2.gz GRVMHLNQDAWQSY-UHFFFAOYSA-N 0 0 245.326 3.159 20 10 BGCDRN CC/C=C(\C)c1nc(Cc2ccc(N)cc2)no1 ZINC000843158681 588087920 /nfs/dbraw/zinc/08/79/20/588087920.db2.gz GPSCRHWMWZKNGH-ONNFQVAWSA-N 0 0 243.310 3.056 20 10 BGCDRN CC/C=C(/C)c1nc(Cc2ccc(N)cc2)no1 ZINC000843158682 588088246 /nfs/dbraw/zinc/08/82/46/588088246.db2.gz GPSCRHWMWZKNGH-WMZJFQQLSA-N 0 0 243.310 3.056 20 10 BGCDRN CCC(CC)c1nc(Cc2ccc(N)cc2)no1 ZINC000843158707 588088248 /nfs/dbraw/zinc/08/82/48/588088248.db2.gz HKUAUJHQOUEJED-UHFFFAOYSA-N 0 0 245.326 3.146 20 10 BGCDRN CCC[C@H](C)c1nc(Cc2ccc(N)cc2)no1 ZINC000843164643 588088923 /nfs/dbraw/zinc/08/89/23/588088923.db2.gz VVUQSZIIPCNZDF-JTQLQIEISA-N 0 0 245.326 3.146 20 10 BGCDRN CCC[C@@H](C)c1nc(Cc2ccc(N)cc2)no1 ZINC000843164646 588089003 /nfs/dbraw/zinc/08/90/03/588089003.db2.gz VVUQSZIIPCNZDF-SNVBAGLBSA-N 0 0 245.326 3.146 20 10 BGCDRN CCC[C@H](C)c1noc(Cc2ccc(N)cc2)n1 ZINC000843181616 588090073 /nfs/dbraw/zinc/09/00/73/588090073.db2.gz DQWDXZKCSABQFJ-JTQLQIEISA-N 0 0 245.326 3.146 20 10 BGCDRN CCC[C@@H](C)c1noc(Cc2ccc(N)cc2)n1 ZINC000843181617 588090335 /nfs/dbraw/zinc/09/03/35/588090335.db2.gz DQWDXZKCSABQFJ-SNVBAGLBSA-N 0 0 245.326 3.146 20 10 BGCDRN CC1(c2csc(Cc3ccc(N)cc3)n2)CC1 ZINC000843289609 588097818 /nfs/dbraw/zinc/09/78/18/588097818.db2.gz VTWGOKRTNHFUDM-UHFFFAOYSA-N 0 0 244.363 3.368 20 10 BGCDRN Nc1ccc(Cc2nc(CC3CC3)cs2)cc1 ZINC000843289716 588097797 /nfs/dbraw/zinc/09/77/97/588097797.db2.gz WXNGTYMASFKXKX-UHFFFAOYSA-N 0 0 244.363 3.269 20 10 BGCDRN CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1ccc(N)cc1 ZINC000843292832 588098199 /nfs/dbraw/zinc/09/81/99/588098199.db2.gz NSDVUCKPRGBFSH-GXFFZTMASA-N 0 0 246.354 3.280 20 10 BGCDRN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C(C)(C)C ZINC000843431114 588109385 /nfs/dbraw/zinc/10/93/85/588109385.db2.gz MPAXHPJVJFMRBZ-UHFFFAOYSA-N 0 0 245.725 3.415 20 10 BGCDRN C[N@H+](Cc1c([O-])ccc(Cl)c1F)C(C)(C)C ZINC000843431744 588109164 /nfs/dbraw/zinc/10/91/64/588109164.db2.gz YERNKYJFQIGQOV-UHFFFAOYSA-N 0 0 245.725 3.415 20 10 BGCDRN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])C(C)(C)C ZINC000843433448 588110009 /nfs/dbraw/zinc/11/00/09/588110009.db2.gz ZALMLCGOAQCTJX-UHFFFAOYSA-N 0 0 245.725 3.415 20 10 BGCDRN CC1(C)CCC(C(=O)Nc2ccc(N)cc2)CC1 ZINC000844163220 588171461 /nfs/dbraw/zinc/17/14/61/588171461.db2.gz VSIIPOMBINMDNR-UHFFFAOYSA-N 0 0 246.354 3.424 20 10 BGCDRN COc1ccc(N(C)Cc2csc(C)n2)cc1 ZINC000844352697 588187065 /nfs/dbraw/zinc/18/70/65/588187065.db2.gz CWDYIIAGXQGXSP-UHFFFAOYSA-N 0 0 248.351 3.097 20 10 BGCDRN COc1ccc(N(C)Cc2cnccc2C)cc1 ZINC000844352716 588186912 /nfs/dbraw/zinc/18/69/12/588186912.db2.gz DOXNFTZBGAIKKC-UHFFFAOYSA-N 0 0 242.322 3.035 20 10 BGCDRN COc1ccc(N(C)Cc2ncc(C)s2)cc1 ZINC000844352787 588187094 /nfs/dbraw/zinc/18/70/94/588187094.db2.gz HPYPHAALDCDBFM-UHFFFAOYSA-N 0 0 248.351 3.097 20 10 BGCDRN COc1ccc(N(C)CCC(F)(F)F)cc1 ZINC000844352791 588187103 /nfs/dbraw/zinc/18/71/03/588187103.db2.gz IBWGAFWHJKUPGZ-UHFFFAOYSA-N 0 0 233.233 3.084 20 10 BGCDRN COc1ccc(N(C)Cc2cncc(C)c2)cc1 ZINC000844352832 588187109 /nfs/dbraw/zinc/18/71/09/588187109.db2.gz JYIOZXNGCXZVGM-UHFFFAOYSA-N 0 0 242.322 3.035 20 10 BGCDRN COc1ccc(N(C)C/C(Cl)=C/Cl)cc1 ZINC000844352962 588187115 /nfs/dbraw/zinc/18/71/15/588187115.db2.gz LJQOCNLGBJEIOX-CLFYSBASSA-N 0 0 246.137 3.450 20 10 BGCDRN COc1ccc(N(C)C/C(Cl)=C\Cl)cc1 ZINC000844352963 588187033 /nfs/dbraw/zinc/18/70/33/588187033.db2.gz LJQOCNLGBJEIOX-VQHVLOKHSA-N 0 0 246.137 3.450 20 10 BGCDRN COc1ccc(N(C)CC[C@@H]2CCCCO2)cc1 ZINC000844353005 588187031 /nfs/dbraw/zinc/18/70/31/588187031.db2.gz NIXQECDQOFCUOO-HNNXBMFYSA-N 0 0 249.354 3.091 20 10 BGCDRN COc1ccc(N(C)CC[C@H]2CCCCO2)cc1 ZINC000844353006 588187005 /nfs/dbraw/zinc/18/70/05/588187005.db2.gz NIXQECDQOFCUOO-OAHLLOKOSA-N 0 0 249.354 3.091 20 10 BGCDRN COc1ccc(N(C)Cc2cc(C)ccn2)cc1 ZINC000844353038 588187118 /nfs/dbraw/zinc/18/71/18/588187118.db2.gz OWDGZVJYWQJRCJ-UHFFFAOYSA-N 0 0 242.322 3.035 20 10 BGCDRN COc1ccc(N(C)Cc2ncccc2C)cc1 ZINC000844353426 588186887 /nfs/dbraw/zinc/18/68/87/588186887.db2.gz WQLQCCGRXHLZIR-UHFFFAOYSA-N 0 0 242.322 3.035 20 10 BGCDRN COc1ccc(N(C)Cc2ccc(C)cn2)cc1 ZINC000844353427 588186770 /nfs/dbraw/zinc/18/67/70/588186770.db2.gz WQNICONATCJZSB-UHFFFAOYSA-N 0 0 242.322 3.035 20 10 BGCDRN COc1ccc(N(C)Cc2cnc(C)s2)cc1 ZINC000844353435 588186855 /nfs/dbraw/zinc/18/68/55/588186855.db2.gz WUEOSJHMOINQCB-UHFFFAOYSA-N 0 0 248.351 3.097 20 10 BGCDRN COc1ccc(N(C)CCSC(C)C)cc1 ZINC000844354347 588186985 /nfs/dbraw/zinc/18/69/85/588186985.db2.gz BQDLWIBFMWSKAW-UHFFFAOYSA-N 0 0 239.384 3.273 20 10 BGCDRN COc1ccc(N(C)Cc2cccnc2C)cc1 ZINC000844354642 588187079 /nfs/dbraw/zinc/18/70/79/588187079.db2.gz FBMTTYODEDOAIJ-UHFFFAOYSA-N 0 0 242.322 3.035 20 10 BGCDRN COc1ccc(N(C)Cc2scnc2C)cc1 ZINC000844354806 588187593 /nfs/dbraw/zinc/18/75/93/588187593.db2.gz HFJJBEBIVZPIOH-UHFFFAOYSA-N 0 0 248.351 3.097 20 10 BGCDRN COc1ccc(N(C)CCCCCF)cc1 ZINC000844355202 588187416 /nfs/dbraw/zinc/18/74/16/588187416.db2.gz MSNNVTIGPMPTSP-UHFFFAOYSA-N 0 0 225.307 3.271 20 10 BGCDRN COc1ccc(N(C)Cc2nc(C)cs2)cc1 ZINC000844355747 588187239 /nfs/dbraw/zinc/18/72/39/588187239.db2.gz SDOMZNAFNXELNS-UHFFFAOYSA-N 0 0 248.351 3.097 20 10 BGCDRN COc1ccc(N(C)CC2CC(F)(F)C2)cc1 ZINC000844355816 588186325 /nfs/dbraw/zinc/18/63/25/588186325.db2.gz UJZHILXXPYNEGY-UHFFFAOYSA-N 0 0 241.281 3.177 20 10 BGCDRN COc1ccc(N(C)CCC2(OC)CCC2)cc1 ZINC000844356623 588187602 /nfs/dbraw/zinc/18/76/02/588187602.db2.gz VPJXVPQKDVIZKA-UHFFFAOYSA-N 0 0 249.354 3.091 20 10 BGCDRN CCc1ccncc1NCc1cc(C)ccc1O ZINC000844704684 588214369 /nfs/dbraw/zinc/21/43/69/588214369.db2.gz CGOXSOONJMEERN-UHFFFAOYSA-N 0 0 242.322 3.270 20 10 BGCDRN Nc1ccc(NCc2cccc3c2CCC3)cc1 ZINC000844902030 588218953 /nfs/dbraw/zinc/21/89/53/588218953.db2.gz KYUMYOAZVUOUQP-UHFFFAOYSA-N 0 0 238.334 3.370 20 10 BGCDRN CCCC(C)(C)C(=O)N(C)Cc1ccccc1O ZINC000845791835 588245211 /nfs/dbraw/zinc/24/52/11/588245211.db2.gz NNQMQIPZPLYGAY-UHFFFAOYSA-N 0 0 249.354 3.177 20 10 BGCDRN COc1ccc(N(C)CC2(OC)CCCC2)cc1 ZINC000845997651 588253012 /nfs/dbraw/zinc/25/30/12/588253012.db2.gz AYLCBYRXISWTAE-UHFFFAOYSA-N 0 0 249.354 3.091 20 10 BGCDRN COc1ccc(N(C)Cc2ccncc2C)cc1 ZINC000845997929 588253045 /nfs/dbraw/zinc/25/30/45/588253045.db2.gz FIFPTBZDTAGMNS-UHFFFAOYSA-N 0 0 242.322 3.035 20 10 BGCDRN COc1ccc(N(C)Cc2occc2C)cc1 ZINC000845997949 588252988 /nfs/dbraw/zinc/25/29/88/588252988.db2.gz GGTVXGOJQSWROB-UHFFFAOYSA-N 0 0 231.295 3.233 20 10 BGCDRN COc1ccc(N(C)Cc2ccc(C)nc2)cc1 ZINC000845997987 588253075 /nfs/dbraw/zinc/25/30/75/588253075.db2.gz HSPFZMXQYLOSEV-UHFFFAOYSA-N 0 0 242.322 3.035 20 10 BGCDRN COc1ccc(N(C)Cc2ccc(C)o2)cc1 ZINC000845998083 588253025 /nfs/dbraw/zinc/25/30/25/588253025.db2.gz JMIZMVWETJZDGJ-UHFFFAOYSA-N 0 0 231.295 3.233 20 10 BGCDRN COc1ccc(N(C)Cc2ccoc2C)cc1 ZINC000845999724 588253031 /nfs/dbraw/zinc/25/30/31/588253031.db2.gz YDNUWRMNKPQSMG-UHFFFAOYSA-N 0 0 231.295 3.233 20 10 BGCDRN COc1ccc(N(C)CC2(SC)CC2)cc1 ZINC000845999768 588253214 /nfs/dbraw/zinc/25/32/14/588253214.db2.gz ZLKAYYXOWBHWOW-UHFFFAOYSA-N 0 0 237.368 3.027 20 10 BGCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC12CCCC2 ZINC000846000511 588253273 /nfs/dbraw/zinc/25/32/73/588253273.db2.gz SHJHAWGILFBLQR-UHFFFAOYSA-N 0 0 235.302 3.050 20 10 BGCDRN CCc1ccncc1NCc1cccc(C)c1O ZINC000846069996 645399154 /nfs/dbraw/zinc/39/91/54/645399154.db2.gz GVVQRNKXMFIIBW-UHFFFAOYSA-N 0 0 242.322 3.270 20 10 BGCDRN Nc1ccc(NC(=O)[C@H]2C[C@H]2C2CCCC2)cc1 ZINC000846661507 588281296 /nfs/dbraw/zinc/28/12/96/588281296.db2.gz BVNXOFCACQYAHC-KBPBESRZSA-N 0 0 244.338 3.034 20 10 BGCDRN Nc1ccc(NC(=O)[C@H]2C[C@@H]2C2CCCC2)cc1 ZINC000846661509 588281606 /nfs/dbraw/zinc/28/16/06/588281606.db2.gz BVNXOFCACQYAHC-KGLIPLIRSA-N 0 0 244.338 3.034 20 10 BGCDRN Nc1ccc(NC(=O)[C@@H]2C[C@H]2C2CCCC2)cc1 ZINC000846661510 588281601 /nfs/dbraw/zinc/28/16/01/588281601.db2.gz BVNXOFCACQYAHC-UONOGXRCSA-N 0 0 244.338 3.034 20 10 BGCDRN Nc1ccc(NC(=O)[C@@H]2C[C@@H]2C2CCCC2)cc1 ZINC000846661511 588281345 /nfs/dbraw/zinc/28/13/45/588281345.db2.gz BVNXOFCACQYAHC-ZIAGYGMSSA-N 0 0 244.338 3.034 20 10 BGCDRN C[C@H]1CC[C@H](C(=O)Nc2ccc(N)cc2)CC1 ZINC000846662017 588281390 /nfs/dbraw/zinc/28/13/90/588281390.db2.gz IRZBNNDRVIGDDD-XYPYZODXSA-N 0 0 232.327 3.034 20 10 BGCDRN CCCC(C)(C)C(=O)Nc1ccc(N)cc1 ZINC000846662858 588281494 /nfs/dbraw/zinc/28/14/94/588281494.db2.gz ZURILIFIRMPICV-UHFFFAOYSA-N 0 0 220.316 3.034 20 10 BGCDRN CCN(C)c1ccc(-c2nccs2)cc1 ZINC000846990573 588300815 /nfs/dbraw/zinc/30/08/15/588300815.db2.gz FGDMYUOIQHUXPF-UHFFFAOYSA-N 0 0 218.325 3.266 20 10 BGCDRN CN(CCF)c1ccc(-c2nccs2)cc1 ZINC000846990711 588300800 /nfs/dbraw/zinc/30/08/00/588300800.db2.gz BOBDZMNOXCGBMK-UHFFFAOYSA-N 0 0 236.315 3.216 20 10 BGCDRN Cc1ccc(COc2ccc(N(C)C)cc2)cn1 ZINC000848514000 588389007 /nfs/dbraw/zinc/38/90/07/588389007.db2.gz UPYAMLBUCLEHPX-UHFFFAOYSA-N 0 0 242.322 3.035 20 10 BGCDRN Cc1cc(O)c(C[NH2+]C2(C)CC=CC2)cc1C 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YLZBUBBFHIEUKL-YFKPBYRVSA-N 0 0 237.802 3.394 20 10 BGCDRN COC1(CSc2ncc(Cl)s2)CCC1 ZINC000850002312 588513811 /nfs/dbraw/zinc/51/38/11/588513811.db2.gz ZUSGOGBMGWHZNO-UHFFFAOYSA-N 0 0 249.788 3.458 20 10 BGCDRN CC(C)(C)C(F)(F)CNCc1ccccc1O ZINC000850409628 588544263 /nfs/dbraw/zinc/54/42/63/588544263.db2.gz DRTYWNYFCUQYKD-UHFFFAOYSA-N 0 0 243.297 3.163 20 10 BGCDRN C[C@@H]([NH2+][C@@H]1C=CCC1)c1cc(F)cc(F)c1[O-] ZINC000850510320 582923506 /nfs/dbraw/zinc/92/35/06/582923506.db2.gz SPJIBIKGRXHWNC-PSASIEDQSA-N 0 0 239.265 3.040 20 10 BGCDRN C[C@@H]([NH2+][C@H]1C=CCC1)c1cc(F)cc(F)c1[O-] ZINC000850510327 582923819 /nfs/dbraw/zinc/92/38/19/582923819.db2.gz SPJIBIKGRXHWNC-SCZZXKLOSA-N 0 0 239.265 3.040 20 10 BGCDRN C[C@H]([NH2+][C@@H]1C=CCC1)c1cc(F)cc(F)c1[O-] ZINC000850510329 582923547 /nfs/dbraw/zinc/92/35/47/582923547.db2.gz SPJIBIKGRXHWNC-WCBMZHEXSA-N 0 0 239.265 3.040 20 10 BGCDRN C[C@H]([NH2+][C@H]1C=CCC1)c1cc(F)cc(F)c1[O-] ZINC000850510334 582923443 /nfs/dbraw/zinc/92/34/43/582923443.db2.gz SPJIBIKGRXHWNC-WPRPVWTQSA-N 0 0 239.265 3.040 20 10 BGCDRN CC[C@H]([NH2+][C@H]1C=CCC1)c1ccc(F)cc1[O-] ZINC000850510855 582923788 /nfs/dbraw/zinc/92/37/88/582923788.db2.gz YIGGGBSXTFGAMV-AAEUAGOBSA-N 0 0 235.302 3.291 20 10 BGCDRN CC[C@@H]([NH2+][C@@H]1C=CCC1)c1ccc(F)cc1[O-] ZINC000850510859 582923727 /nfs/dbraw/zinc/92/37/27/582923727.db2.gz YIGGGBSXTFGAMV-DGCLKSJQSA-N 0 0 235.302 3.291 20 10 BGCDRN CC[C@@H]([NH2+][C@H]1C=CCC1)c1ccc(F)cc1[O-] ZINC000850510861 582923640 /nfs/dbraw/zinc/92/36/40/582923640.db2.gz YIGGGBSXTFGAMV-WCQYABFASA-N 0 0 235.302 3.291 20 10 BGCDRN CC[C@H]([NH2+][C@@H]1C=CCC1)c1ccc(F)cc1[O-] ZINC000850510875 582923824 /nfs/dbraw/zinc/92/38/24/582923824.db2.gz YIGGGBSXTFGAMV-YPMHNXCESA-N 0 0 235.302 3.291 20 10 BGCDRN C[C@H]([NH2+][C@]1(C)CC1(C)C)c1ccc(F)cc1[O-] ZINC000850554540 588560234 /nfs/dbraw/zinc/56/02/34/588560234.db2.gz GCAQZSAFESXUHJ-LKFCYVNXSA-N 0 0 237.318 3.371 20 10 BGCDRN C[C@@H]([NH2+][C@@]1(C)CC1(C)C)c1ccc(F)cc1[O-] ZINC000850554541 582929324 /nfs/dbraw/zinc/92/93/24/582929324.db2.gz GCAQZSAFESXUHJ-OTYXRUKQSA-N 0 0 237.318 3.371 20 10 BGCDRN C[C@H]([NH2+][C@@]1(C)CC1(C)C)c1ccc(F)cc1[O-] ZINC000850554542 582929226 /nfs/dbraw/zinc/92/92/26/582929226.db2.gz GCAQZSAFESXUHJ-XPTSAGLGSA-N 0 0 237.318 3.371 20 10 BGCDRN C[C@@H]([NH2+][C@]1(C)CC1(C)C)c1ccc(F)cc1[O-] ZINC000850554543 582929250 /nfs/dbraw/zinc/92/92/50/582929250.db2.gz GCAQZSAFESXUHJ-YMTOWFKASA-N 0 0 237.318 3.371 20 10 BGCDRN CC1=CC[C@](C)(C(=O)Nc2ccc(N)cc2)CC1 ZINC000851633154 588612216 /nfs/dbraw/zinc/61/22/16/588612216.db2.gz AQUFCLJMRFZUNF-HNNXBMFYSA-N 0 0 244.338 3.344 20 10 BGCDRN CC1=CC[C@@](C)(C(=O)Nc2ccc(N)cc2)CC1 ZINC000851633155 588612338 /nfs/dbraw/zinc/61/23/38/588612338.db2.gz AQUFCLJMRFZUNF-OAHLLOKOSA-N 0 0 244.338 3.344 20 10 BGCDRN CCCC[C@@](C)(F)C(=O)Nc1ccc(N)cc1 ZINC000851633443 588612261 /nfs/dbraw/zinc/61/22/61/588612261.db2.gz JWPPAJMNOBXOMV-CYBMUJFWSA-N 0 0 238.306 3.126 20 10 BGCDRN CCCC[C@](C)(F)C(=O)Nc1ccc(N)cc1 ZINC000851633444 588612290 /nfs/dbraw/zinc/61/22/90/588612290.db2.gz JWPPAJMNOBXOMV-ZDUSSCGKSA-N 0 0 238.306 3.126 20 10 BGCDRN COc1ccc(N(C)CC2CC=CC2)cc1OC ZINC000851734692 588620484 /nfs/dbraw/zinc/62/04/84/588620484.db2.gz KMADGFHNSPNOMK-UHFFFAOYSA-N 0 0 247.338 3.106 20 10 BGCDRN CCN(Cc1coc(C)n1)c1ccc(OC)cc1 ZINC000851827144 588633743 /nfs/dbraw/zinc/63/37/43/588633743.db2.gz BOIZSRUGJOTICM-UHFFFAOYSA-N 0 0 246.310 3.018 20 10 BGCDRN CCN(Cc1cncs1)c1ccc(OC)cc1 ZINC000851827166 633195172 /nfs/dbraw/zinc/19/51/72/633195172.db2.gz BYRQXXPFOMXPRD-UHFFFAOYSA-N 0 0 248.351 3.178 20 10 BGCDRN CCN(Cc1conc1C)c1ccc(OC)cc1 ZINC000851829060 588633753 /nfs/dbraw/zinc/63/37/53/588633753.db2.gz VWQJJOGOFGDPSV-UHFFFAOYSA-N 0 0 246.310 3.018 20 10 BGCDRN CN(CC=C(Cl)Cl)Cc1ccccc1O ZINC000851841363 588634315 /nfs/dbraw/zinc/63/43/15/588634315.db2.gz PMNNWZQMZAUQHC-UHFFFAOYSA-N 0 0 246.137 3.143 20 10 BGCDRN COc1ccc(N(C)CC2CC=CC2)c(OC)c1 ZINC000851864861 588636301 /nfs/dbraw/zinc/63/63/01/588636301.db2.gz MJUALTZCAQSRNG-UHFFFAOYSA-N 0 0 247.338 3.106 20 10 BGCDRN COc1ccc(N(C)CC2CC=CC2)cc1 ZINC000852208569 588672055 /nfs/dbraw/zinc/67/20/55/588672055.db2.gz HMXIBRWHIZPPDV-UHFFFAOYSA-N 0 0 217.312 3.098 20 10 BGCDRN CCC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(N)cc1 ZINC000852789942 588702602 /nfs/dbraw/zinc/70/26/02/588702602.db2.gz HSACVKWODBAAQV-BXUZGUMPSA-N 0 0 246.354 3.424 20 10 BGCDRN CCC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(N)cc1 ZINC000852789943 588702545 /nfs/dbraw/zinc/70/25/45/588702545.db2.gz HSACVKWODBAAQV-FZMZJTMJSA-N 0 0 246.354 3.424 20 10 BGCDRN CCC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(N)cc1 ZINC000852789944 588702805 /nfs/dbraw/zinc/70/28/05/588702805.db2.gz HSACVKWODBAAQV-RISCZKNCSA-N 0 0 246.354 3.424 20 10 BGCDRN CCC[C@H]1CCC[C@H]1C(=O)Nc1ccc(N)cc1 ZINC000852789945 588702674 /nfs/dbraw/zinc/70/26/74/588702674.db2.gz HSACVKWODBAAQV-SMDDNHRTSA-N 0 0 246.354 3.424 20 10 BGCDRN c1csc(SCCC2SCCS2)n1 ZINC000853016805 645490408 /nfs/dbraw/zinc/49/04/08/645490408.db2.gz QUDVEVYXVMZAHH-UHFFFAOYSA-N 0 0 249.451 3.431 20 10 BGCDRN c1csc(SC[C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000853016965 645490271 /nfs/dbraw/zinc/49/02/71/645490271.db2.gz XQSXCHOUMQQYPT-AYMMMOKOSA-N 0 0 211.355 3.281 20 10 BGCDRN FC(F)OCCSc1ncc(Cl)s1 ZINC000853022725 588716517 /nfs/dbraw/zinc/71/65/17/588716517.db2.gz WDVIEZCYBUUSEV-UHFFFAOYSA-N 0 0 245.703 3.128 20 10 BGCDRN CN(C)c1ccc(OCC2CC=CC2)cc1 ZINC000853693170 588757101 /nfs/dbraw/zinc/75/71/01/588757101.db2.gz OSDINDNOJNJZNA-UHFFFAOYSA-N 0 0 217.312 3.098 20 10 BGCDRN CCC/C=C\c1nc(Cc2ccc(N)cc2)no1 ZINC000854134374 588776407 /nfs/dbraw/zinc/77/64/07/588776407.db2.gz PVJAAPIVDKKSEK-PLNGDYQASA-N 0 0 243.310 3.056 20 10 BGCDRN CCC/C=C/c1nc(Cc2ccc(N)cc2)no1 ZINC000854134375 588776279 /nfs/dbraw/zinc/77/62/79/588776279.db2.gz PVJAAPIVDKKSEK-SNAWJCMRSA-N 0 0 243.310 3.056 20 10 BGCDRN CCC(CC)N(CC)C(=O)C1=CC(=O)CS1 ZINC000854488493 588789416 /nfs/dbraw/zinc/78/94/16/588789416.db2.gz DDIZHDVHFYXVGC-UHFFFAOYSA-N 0 0 241.356 3.104 20 10 BGCDRN CC(C)(C)C(C)(C)NC(=O)C1=CC(=O)CS1 ZINC000854637501 588798706 /nfs/dbraw/zinc/79/87/06/588798706.db2.gz DTQCYIFQSIDOBJ-UHFFFAOYSA-N 0 0 241.356 3.008 20 10 BGCDRN CCC(C)(C)[C@@H](C)NC(=O)C1=CC(=O)CS1 ZINC000855364644 588829514 /nfs/dbraw/zinc/82/95/14/588829514.db2.gz ALIGENYKSYKFES-MRVPVSSYSA-N 0 0 241.356 3.008 20 10 BGCDRN CCC(C)(C)[C@H](C)NC(=O)C1=CC(=O)CS1 ZINC000855364645 588829485 /nfs/dbraw/zinc/82/94/85/588829485.db2.gz ALIGENYKSYKFES-QMMMGPOBSA-N 0 0 241.356 3.008 20 10 BGCDRN COc1ccc(N(C)Cc2ccnc(C)c2)cc1 ZINC000856753910 588876042 /nfs/dbraw/zinc/87/60/42/588876042.db2.gz ZVUQCGYXRURCPB-UHFFFAOYSA-N 0 0 242.322 3.035 20 10 BGCDRN CCC(F)(F)CNCc1cc(C)c(C)cc1O ZINC000858258679 588941252 /nfs/dbraw/zinc/94/12/52/588941252.db2.gz GAUHPOKBLFVNKR-UHFFFAOYSA-N 0 0 243.297 3.144 20 10 BGCDRN C/C=C\C[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000858536670 588963679 /nfs/dbraw/zinc/96/36/79/588963679.db2.gz IZRSZWNRFMNRNX-FHMRSRPSSA-N 0 0 223.291 3.148 20 10 BGCDRN C/C=C\C[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000858536673 588963894 /nfs/dbraw/zinc/96/38/94/588963894.db2.gz IZRSZWNRFMNRNX-KTLBGCOUSA-N 0 0 223.291 3.148 20 10 BGCDRN C/C=C/C[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000858536675 588963898 /nfs/dbraw/zinc/96/38/98/588963898.db2.gz IZRSZWNRFMNRNX-OGOUPESXSA-N 0 0 223.291 3.148 20 10 BGCDRN C/C=C/C[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000858536677 588963645 /nfs/dbraw/zinc/96/36/45/588963645.db2.gz IZRSZWNRFMNRNX-PYEVWLCESA-N 0 0 223.291 3.148 20 10 BGCDRN CCOc1ccc(N(C)Cc2cnc(C)o2)cc1 ZINC000862306184 589200720 /nfs/dbraw/zinc/20/07/20/589200720.db2.gz FXZBNLHXBFHSIS-UHFFFAOYSA-N 0 0 246.310 3.018 20 10 BGCDRN CCCC(C)(C)C(=O)NCc1cc(C)ccc1O ZINC000862754352 589237584 /nfs/dbraw/zinc/23/75/84/589237584.db2.gz ATYGCGYVBZDVAT-UHFFFAOYSA-N 0 0 249.354 3.143 20 10 BGCDRN Cc1ccc(O)c(CNC(=O)CCCC(C)C)c1 ZINC000862754360 589237627 /nfs/dbraw/zinc/23/76/27/589237627.db2.gz BIDWEJGPVVHTBJ-UHFFFAOYSA-N 0 0 249.354 3.143 20 10 BGCDRN CCCC[C@@H](C)C(=O)NCc1cc(C)ccc1O ZINC000862755378 589237532 /nfs/dbraw/zinc/23/75/32/589237532.db2.gz GEMOMJLCNRULRW-GFCCVEGCSA-N 0 0 249.354 3.143 20 10 BGCDRN CCCC[C@H](C)C(=O)NCc1cc(C)ccc1O ZINC000862755379 589237631 /nfs/dbraw/zinc/23/76/31/589237631.db2.gz GEMOMJLCNRULRW-LBPRGKRZSA-N 0 0 249.354 3.143 20 10 BGCDRN CC[C@@H](C)CCC(=O)NCc1cc(C)ccc1O ZINC000862755978 589237669 /nfs/dbraw/zinc/23/76/69/589237669.db2.gz ONVPTGSPAXOPCO-LLVKDONJSA-N 0 0 249.354 3.143 20 10 BGCDRN CC[C@H](C)CCC(=O)NCc1cc(C)ccc1O ZINC000862755980 589237530 /nfs/dbraw/zinc/23/75/30/589237530.db2.gz ONVPTGSPAXOPCO-NSHDSACASA-N 0 0 249.354 3.143 20 10 BGCDRN CCC(C)(CC)C(=O)NCc1cc(C)ccc1O ZINC000862757222 712619143 /nfs/dbraw/zinc/61/91/43/712619143.db2.gz LSYBMHCBTQONST-UHFFFAOYSA-N 0 0 249.354 3.143 20 10 BGCDRN CC/C(C)=C(/C)C(=O)NCc1cc(C)ccc1O ZINC000862757380 712619079 /nfs/dbraw/zinc/61/90/79/712619079.db2.gz RNANVJYPTVRQRB-QXMHVHEDSA-N 0 0 247.338 3.063 20 10 BGCDRN CC/C(C)=C(\C)C(=O)NCc1cc(C)ccc1O ZINC000862757381 712619086 /nfs/dbraw/zinc/61/90/86/712619086.db2.gz RNANVJYPTVRQRB-VAWYXSNFSA-N 0 0 247.338 3.063 20 10 BGCDRN CCC(CC)CC(=O)NCc1cc(C)ccc1O ZINC000862757656 589237668 /nfs/dbraw/zinc/23/76/68/589237668.db2.gz BATKJYVOKNKITP-UHFFFAOYSA-N 0 0 249.354 3.143 20 10 BGCDRN CCC(C)(C)CC(=O)NCc1cc(C)ccc1O ZINC000862757973 589237731 /nfs/dbraw/zinc/23/77/31/589237731.db2.gz KQPOMBFCNHOHMF-UHFFFAOYSA-N 0 0 249.354 3.143 20 10 BGCDRN CCC(=CC(=O)NCc1cc(C)ccc1O)CC ZINC000862758091 589237878 /nfs/dbraw/zinc/23/78/78/589237878.db2.gz OJMWTWGXABVRCA-UHFFFAOYSA-N 0 0 247.338 3.063 20 10 BGCDRN CCC[C@@H](C)CC(=O)NCc1cc(C)ccc1O ZINC000862759098 589237848 /nfs/dbraw/zinc/23/78/48/589237848.db2.gz VXFQNOYVOONFIU-LLVKDONJSA-N 0 0 249.354 3.143 20 10 BGCDRN CCC[C@H](C)CC(=O)NCc1cc(C)ccc1O ZINC000862759099 589237872 /nfs/dbraw/zinc/23/78/72/589237872.db2.gz VXFQNOYVOONFIU-NSHDSACASA-N 0 0 249.354 3.143 20 10 BGCDRN CCC/C(C)=C\C(=O)NCc1cc(C)ccc1O ZINC000862759113 589237855 /nfs/dbraw/zinc/23/78/55/589237855.db2.gz WOWXEMLRSQZRBD-LUAWRHEFSA-N 0 0 247.338 3.063 20 10 BGCDRN CCC/C(C)=C/C(=O)NCc1cc(C)ccc1O ZINC000862759114 589237950 /nfs/dbraw/zinc/23/79/50/589237950.db2.gz WOWXEMLRSQZRBD-PKNBQFBNSA-N 0 0 247.338 3.063 20 10 BGCDRN CCCCCCC(=O)NCc1cc(C)ccc1O ZINC000862759962 589237835 /nfs/dbraw/zinc/23/78/35/589237835.db2.gz OEXUAUPRDLHPLA-UHFFFAOYSA-N 0 0 249.354 3.287 20 10 BGCDRN Cc1ccc(O)c(CNC(=O)CCC(C)(C)C)c1 ZINC000862760542 589237873 /nfs/dbraw/zinc/23/78/73/589237873.db2.gz UTVXYHDZAQAJOO-UHFFFAOYSA-N 0 0 249.354 3.143 20 10 BGCDRN CC(C)SCSc1nccs1 ZINC000863295077 589277122 /nfs/dbraw/zinc/27/71/22/589277122.db2.gz JWPYXAKMRCKELU-UHFFFAOYSA-N 0 0 205.373 3.334 20 10 BGCDRN Cc1nc(CSc2nccs2)c(C)o1 ZINC000863295105 589277041 /nfs/dbraw/zinc/27/70/41/589277041.db2.gz LNVWEHXIIUPVSC-UHFFFAOYSA-N 0 0 226.326 3.040 20 10 BGCDRN FC(F)(Cl)CCSc1nccs1 ZINC000863295272 589277315 /nfs/dbraw/zinc/27/73/15/589277315.db2.gz OMQWMGBCHCUVBL-UHFFFAOYSA-N 0 0 229.704 3.457 20 10 BGCDRN C[C@@H](Sc1nccs1)C1CCOCC1 ZINC000863295417 589277282 /nfs/dbraw/zinc/27/72/82/589277282.db2.gz SFCCZOIRBMCOIH-MRVPVSSYSA-N 0 0 229.370 3.050 20 10 BGCDRN C[C@H](Sc1nccs1)C1CCOCC1 ZINC000863295418 589277343 /nfs/dbraw/zinc/27/73/43/589277343.db2.gz SFCCZOIRBMCOIH-QMMMGPOBSA-N 0 0 229.370 3.050 20 10 BGCDRN CCO[C@H](CSc1nccs1)C1CC1 ZINC000863295475 589277069 /nfs/dbraw/zinc/27/70/69/589277069.db2.gz VJJKDNGQPPBLMC-SECBINFHSA-N 0 0 229.370 3.050 20 10 BGCDRN CCO[C@@H](CSc1nccs1)C1CC1 ZINC000863295476 589277099 /nfs/dbraw/zinc/27/70/99/589277099.db2.gz VJJKDNGQPPBLMC-VIFPVBQESA-N 0 0 229.370 3.050 20 10 BGCDRN C[C@@H]1C[C@@H](Sc2ncc(Cl)s2)CCO1 ZINC000863347797 589281561 /nfs/dbraw/zinc/28/15/61/589281561.db2.gz JATDHHYEIIBEIW-RQJHMYQMSA-N 0 0 249.788 3.456 20 10 BGCDRN Clc1cnc(SCCc2cnoc2)s1 ZINC000863347802 589281545 /nfs/dbraw/zinc/28/15/45/589281545.db2.gz JEVLTVORZDQCSJ-UHFFFAOYSA-N 0 0 246.744 3.119 20 10 BGCDRN CCCOCSc1ncc(Cl)s1 ZINC000863348535 589282053 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CC(C)Nc1ccccc1NCCOC(C)C ZINC000871845891 589824348 /nfs/dbraw/zinc/82/43/48/589824348.db2.gz MBNUQXSONVQMJG-UHFFFAOYSA-N 0 0 236.359 3.344 20 10 BGCDRN CC(C)Nc1ccccc1NCCC1(O)CCC1 ZINC000871845906 589824648 /nfs/dbraw/zinc/82/46/48/589824648.db2.gz MQWCQWWEKNRZFH-UHFFFAOYSA-N 0 0 248.370 3.224 20 10 BGCDRN Cc1cc(CNc2ccccc2NC(C)C)on1 ZINC000871846162 589824392 /nfs/dbraw/zinc/82/43/92/589824392.db2.gz UAJIDEOPJZREDB-UHFFFAOYSA-N 0 0 245.326 3.415 20 10 BGCDRN Cc1cnc(CNc2ccccc2NC(C)C)o1 ZINC000871846176 589824790 /nfs/dbraw/zinc/82/47/90/589824790.db2.gz KDRRDNJTZMJBET-UHFFFAOYSA-N 0 0 245.326 3.415 20 10 BGCDRN CC(C)Nc1ccccc1NCC1CC1 ZINC000871846205 589824559 /nfs/dbraw/zinc/82/45/59/589824559.db2.gz VBEUJDZXPPCKAN-UHFFFAOYSA-N 0 0 204.317 3.329 20 10 BGCDRN CC(C)Nc1ccccc1NCCC(C)(C)O ZINC000871846220 589824832 /nfs/dbraw/zinc/82/48/32/589824832.db2.gz VQTJBFXLYSUBMB-UHFFFAOYSA-N 0 0 236.359 3.080 20 10 BGCDRN Cc1cc(CNc2ccccc2NC(C)C)no1 ZINC000871846328 589824554 /nfs/dbraw/zinc/82/45/54/589824554.db2.gz WOCSQKLRGVMXDF-UHFFFAOYSA-N 0 0 245.326 3.415 20 10 BGCDRN Cc1nc(CNc2ccccc2NC(C)C)co1 ZINC000871846355 589824428 /nfs/dbraw/zinc/82/44/28/589824428.db2.gz XTINKGVCSMEDCR-UHFFFAOYSA-N 0 0 245.326 3.415 20 10 BGCDRN Cc1nocc1CNc1ccccc1NC(C)C ZINC000871846381 589824613 /nfs/dbraw/zinc/82/46/13/589824613.db2.gz YTIOZHDPPQZYHM-UHFFFAOYSA-N 0 0 245.326 3.415 20 10 BGCDRN CO[C@H]1C[C@@H](CNc2ccccc2NC(C)C)C1 ZINC000871846406 589824328 /nfs/dbraw/zinc/82/43/28/589824328.db2.gz NKRIXDQKUUNILI-BETUJISGSA-N 0 0 248.370 3.344 20 10 BGCDRN CCn1ncc(N[C@@H](C)c2ccccc2O)c1C ZINC000872136070 589879182 /nfs/dbraw/zinc/87/91/82/589879182.db2.gz BXDKDUKVFMPZQJ-JTQLQIEISA-N 0 0 245.326 3.090 20 10 BGCDRN CCn1ncc(N[C@H](C)c2ccccc2O)c1C ZINC000872136075 589878881 /nfs/dbraw/zinc/87/88/81/589878881.db2.gz BXDKDUKVFMPZQJ-SNVBAGLBSA-N 0 0 245.326 3.090 20 10 BGCDRN CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(N)cc1 ZINC000876504516 590204018 /nfs/dbraw/zinc/20/40/18/590204018.db2.gz OZKPTUHMEMPIHP-BXUZGUMPSA-N 0 0 246.354 3.424 20 10 BGCDRN CC[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(N)cc1 ZINC000876504517 590203924 /nfs/dbraw/zinc/20/39/24/590203924.db2.gz OZKPTUHMEMPIHP-FZMZJTMJSA-N 0 0 246.354 3.424 20 10 BGCDRN CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(N)cc1 ZINC000876504518 590204238 /nfs/dbraw/zinc/20/42/38/590204238.db2.gz OZKPTUHMEMPIHP-RISCZKNCSA-N 0 0 246.354 3.424 20 10 BGCDRN CC[C@H]1CCCC[C@H]1C(=O)Nc1ccc(N)cc1 ZINC000876504519 590203943 /nfs/dbraw/zinc/20/39/43/590203943.db2.gz OZKPTUHMEMPIHP-SMDDNHRTSA-N 0 0 246.354 3.424 20 10 BGCDRN CCC[C@H](CC)C(=O)Nc1ccc(N)cc1 ZINC000876504775 590204232 /nfs/dbraw/zinc/20/42/32/590204232.db2.gz WIBPXSYECLKWEE-JTQLQIEISA-N 0 0 220.316 3.034 20 10 BGCDRN CCC[C@@H](CC)C(=O)Nc1ccc(N)cc1 ZINC000876504776 590204209 /nfs/dbraw/zinc/20/42/09/590204209.db2.gz WIBPXSYECLKWEE-SNVBAGLBSA-N 0 0 220.316 3.034 20 10 BGCDRN CCC[N@H+](Cc1ccc(F)c(F)c1[O-])C1CC1 ZINC000876575690 590217613 /nfs/dbraw/zinc/21/76/13/590217613.db2.gz PBLDFKLQUBBQNR-UHFFFAOYSA-N 0 0 241.281 3.045 20 10 BGCDRN CC(C)[N@H+](Cc1ccc(F)c(F)c1[O-])C1CC1 ZINC000876595252 584886352 /nfs/dbraw/zinc/88/63/52/584886352.db2.gz AQBDGHUUBKTMHV-UHFFFAOYSA-N 0 0 241.281 3.043 20 10 BGCDRN CCN(Cc1ccc(C)cc1O)CC(F)(F)F ZINC000876612565 590221842 /nfs/dbraw/zinc/22/18/42/590221842.db2.gz PPWFVVUQJBBIGA-UHFFFAOYSA-N 0 0 247.260 3.085 20 10 BGCDRN CCN(Cc1c(C)cccc1O)CC(F)(F)F ZINC000876612720 590221759 /nfs/dbraw/zinc/22/17/59/590221759.db2.gz VDFRYOARDULSPR-UHFFFAOYSA-N 0 0 247.260 3.085 20 10 BGCDRN CCCN(Cc1ccc(C)cc1O)CC(F)F ZINC000876656475 590226600 /nfs/dbraw/zinc/22/66/00/590226600.db2.gz BGVYXZWFNAASLK-UHFFFAOYSA-N 0 0 243.297 3.178 20 10 BGCDRN CCCN(Cc1c(C)cccc1O)CC(F)F ZINC000876657233 590226767 /nfs/dbraw/zinc/22/67/67/590226767.db2.gz LYHKTWWAVDLBGJ-UHFFFAOYSA-N 0 0 243.297 3.178 20 10 BGCDRN CC[N@H+](Cc1ccc(F)c(F)c1[O-])C1CCC1 ZINC000876756877 590238817 /nfs/dbraw/zinc/23/88/17/590238817.db2.gz YTWUQGIXZZPDAH-UHFFFAOYSA-N 0 0 241.281 3.045 20 10 BGCDRN Cc1ccc(CN(CC(F)F)C(C)C)c(O)c1 ZINC000876811046 590245312 /nfs/dbraw/zinc/24/53/12/590245312.db2.gz GKXAZXIMJKSLGB-UHFFFAOYSA-N 0 0 243.297 3.176 20 10 BGCDRN Cc1ccc(C[NH2+]Cc2ccc(C)cc2O)s1 ZINC000876939973 590259384 /nfs/dbraw/zinc/25/93/84/590259384.db2.gz NZEFLPACCXTASV-UHFFFAOYSA-N 0 0 247.363 3.360 20 10 BGCDRN CCCC(C)(C)C(=O)N(C)c1ccc(N)cc1 ZINC000877074664 590278186 /nfs/dbraw/zinc/27/81/86/590278186.db2.gz OPMGUBZYEWFQRK-UHFFFAOYSA-N 0 0 234.343 3.058 20 10 BGCDRN C[C@H]1CC[C@H](C(=O)N(C)c2ccc(N)cc2)CC1 ZINC000877075136 590278180 /nfs/dbraw/zinc/27/81/80/590278180.db2.gz ZTPZTZCZFCQBPX-HAQNSBGRSA-N 0 0 246.354 3.058 20 10 BGCDRN CCC[C@@H](CC)C(=O)N(C)c1ccc(N)cc1 ZINC000877075711 590278734 /nfs/dbraw/zinc/27/87/34/590278734.db2.gz FPDMEYGFCPMBDD-LLVKDONJSA-N 0 0 234.343 3.058 20 10 BGCDRN CCC[C@H](CC)C(=O)N(C)c1ccc(N)cc1 ZINC000877075712 590278567 /nfs/dbraw/zinc/27/85/67/590278567.db2.gz FPDMEYGFCPMBDD-NSHDSACASA-N 0 0 234.343 3.058 20 10 BGCDRN CCC[C@H](C(=O)N(C)c1ccc(N)cc1)C(C)C ZINC000877075851 590278971 /nfs/dbraw/zinc/27/89/71/590278971.db2.gz JYZUMROFLSSNRZ-AWEZNQCLSA-N 0 0 248.370 3.304 20 10 BGCDRN CCC[C@@H](C(=O)N(C)c1ccc(N)cc1)C(C)C ZINC000877075852 590278989 /nfs/dbraw/zinc/27/89/89/590278989.db2.gz JYZUMROFLSSNRZ-CQSZACIVSA-N 0 0 248.370 3.304 20 10 BGCDRN CCC(CC)[C@@H](C)C(=O)N(C)c1ccc(N)cc1 ZINC000877076574 590278997 /nfs/dbraw/zinc/27/89/97/590278997.db2.gz RJWYUEVPILAIPY-LLVKDONJSA-N 0 0 248.370 3.304 20 10 BGCDRN CCC(CC)[C@H](C)C(=O)N(C)c1ccc(N)cc1 ZINC000877076576 590278996 /nfs/dbraw/zinc/27/89/96/590278996.db2.gz RJWYUEVPILAIPY-NSHDSACASA-N 0 0 248.370 3.304 20 10 BGCDRN CCC(CC)CC(=O)N(C)c1ccc(N)cc1 ZINC000877077248 590278747 /nfs/dbraw/zinc/27/87/47/590278747.db2.gz AGGQBQMIELVUAU-UHFFFAOYSA-N 0 0 234.343 3.058 20 10 BGCDRN CCC(CC)(CC)C(=O)N(C)c1ccc(N)cc1 ZINC000877077433 590278694 /nfs/dbraw/zinc/27/86/94/590278694.db2.gz IBPFEGSKUGBADO-UHFFFAOYSA-N 0 0 248.370 3.448 20 10 BGCDRN C[C@@H](C(=O)N(C)c1ccc(N)cc1)C1CCCC1 ZINC000877077549 590279337 /nfs/dbraw/zinc/27/93/37/590279337.db2.gz MOPPLFNZIQVPOK-LLVKDONJSA-N 0 0 246.354 3.058 20 10 BGCDRN C[C@H](C(=O)N(C)c1ccc(N)cc1)C1CCCC1 ZINC000877077550 590279168 /nfs/dbraw/zinc/27/91/68/590279168.db2.gz MOPPLFNZIQVPOK-NSHDSACASA-N 0 0 246.354 3.058 20 10 BGCDRN CC(C)CC(C)(C)C(=O)N(C)c1ccc(N)cc1 ZINC000877077564 590279215 /nfs/dbraw/zinc/27/92/15/590279215.db2.gz NBHZHNCBMBTYCU-UHFFFAOYSA-N 0 0 248.370 3.304 20 10 BGCDRN CN(C(=O)C=C1CCCCC1)c1ccc(N)cc1 ZINC000877078074 590279321 /nfs/dbraw/zinc/27/93/21/590279321.db2.gz BOJVDLDDKFPUPK-UHFFFAOYSA-N 0 0 244.338 3.122 20 10 BGCDRN CC(C(=O)N(C)c1ccc(N)cc1)=C1CCCC1 ZINC000877078237 590279385 /nfs/dbraw/zinc/27/93/85/590279385.db2.gz IUZZDXSSWVBFEK-UHFFFAOYSA-N 0 0 244.338 3.122 20 10 BGCDRN CCC[C@@H](C)CC(=O)N(C)c1ccc(N)cc1 ZINC000877078293 590279121 /nfs/dbraw/zinc/27/91/21/590279121.db2.gz LBGONJMVFVDWQD-LLVKDONJSA-N 0 0 234.343 3.058 20 10 BGCDRN CCC[C@H](C)CC(=O)N(C)c1ccc(N)cc1 ZINC000877078294 590279209 /nfs/dbraw/zinc/27/92/09/590279209.db2.gz LBGONJMVFVDWQD-NSHDSACASA-N 0 0 234.343 3.058 20 10 BGCDRN CC(C)C[C@@H](C)CC(=O)N(C)c1ccc(N)cc1 ZINC000877078355 590279330 /nfs/dbraw/zinc/27/93/30/590279330.db2.gz NHEPFSLDKNMSJP-GFCCVEGCSA-N 0 0 248.370 3.304 20 10 BGCDRN CC(C)C[C@H](C)CC(=O)N(C)c1ccc(N)cc1 ZINC000877078356 590279139 /nfs/dbraw/zinc/27/91/39/590279139.db2.gz NHEPFSLDKNMSJP-LBPRGKRZSA-N 0 0 248.370 3.304 20 10 BGCDRN CN(C(=O)CCCC(C)(C)C)c1ccc(N)cc1 ZINC000877078366 590279194 /nfs/dbraw/zinc/27/91/94/590279194.db2.gz NROKURSMOUTCCY-UHFFFAOYSA-N 0 0 248.370 3.448 20 10 BGCDRN CCCC1(C(=O)N(C)c2ccc(N)cc2)CCC1 ZINC000877078398 590279360 /nfs/dbraw/zinc/27/93/60/590279360.db2.gz OHNZZRYULVQYAF-UHFFFAOYSA-N 0 0 246.354 3.202 20 10 BGCDRN C/C(=C/C(=O)N(C)c1ccc(N)cc1)C(C)(C)C ZINC000877078404 590279303 /nfs/dbraw/zinc/27/93/03/590279303.db2.gz OMRZOCSCUMHCPW-KHPPLWFESA-N 0 0 246.354 3.224 20 10 BGCDRN C/C(=C\C(=O)N(C)c1ccc(N)cc1)C(C)(C)C ZINC000877078405 590279284 /nfs/dbraw/zinc/27/92/84/590279284.db2.gz OMRZOCSCUMHCPW-ZHACJKMWSA-N 0 0 246.354 3.224 20 10 BGCDRN CC[C@H](CC(=O)N(C)c1ccc(N)cc1)C(C)C ZINC000877078481 584889626 /nfs/dbraw/zinc/88/96/26/584889626.db2.gz RACJJIUEEPXEGX-GFCCVEGCSA-N 0 0 248.370 3.304 20 10 BGCDRN CC[C@@H](CC(=O)N(C)c1ccc(N)cc1)C(C)C ZINC000877078482 584889705 /nfs/dbraw/zinc/88/97/05/584889705.db2.gz RACJJIUEEPXEGX-LBPRGKRZSA-N 0 0 248.370 3.304 20 10 BGCDRN C[C@@H]1CC[C@H](CC(=O)N(C)c2ccc(N)cc2)C1 ZINC000877078552 590279318 /nfs/dbraw/zinc/27/93/18/590279318.db2.gz UMVCINIEQFWHOZ-NEPJUHHUSA-N 0 0 246.354 3.058 20 10 BGCDRN C[C@H]1CC[C@@H](CC(=O)N(C)c2ccc(N)cc2)C1 ZINC000877078553 590279328 /nfs/dbraw/zinc/27/93/28/590279328.db2.gz UMVCINIEQFWHOZ-NWDGAFQWSA-N 0 0 246.354 3.058 20 10 BGCDRN C[C@H]1CC[C@H](CC(=O)N(C)c2ccc(N)cc2)C1 ZINC000877078554 590279233 /nfs/dbraw/zinc/27/92/33/590279233.db2.gz UMVCINIEQFWHOZ-RYUDHWBXSA-N 0 0 246.354 3.058 20 10 BGCDRN C[C@@H]1CC[C@@H](CC(=O)N(C)c2ccc(N)cc2)C1 ZINC000877078555 590279361 /nfs/dbraw/zinc/27/93/61/590279361.db2.gz UMVCINIEQFWHOZ-VXGBXAGGSA-N 0 0 246.354 3.058 20 10 BGCDRN Cc1ccc(CNc2ccc(C)nc2C)c(O)c1 ZINC000877115217 590287975 /nfs/dbraw/zinc/28/79/75/590287975.db2.gz FXIMSOBQTKGBLK-UHFFFAOYSA-N 0 0 242.322 3.325 20 10 BGCDRN Cc1ccc(CNc2cnn(C(C)C)c2)c(O)c1 ZINC000877148049 590292275 /nfs/dbraw/zinc/29/22/75/590292275.db2.gz FOJMBFDVIWMIMS-UHFFFAOYSA-N 0 0 245.326 3.090 20 10 BGCDRN Cc1cccc(O)c1CNc1cnn(C(C)C)c1 ZINC000877148748 590292271 /nfs/dbraw/zinc/29/22/71/590292271.db2.gz UNNSFPRVCRCQFW-UHFFFAOYSA-N 0 0 245.326 3.090 20 10 BGCDRN CCc1cccnc1NCc1ccc(C)cc1O ZINC000877161935 590294615 /nfs/dbraw/zinc/29/46/15/590294615.db2.gz UKCVZFKLNAYMIW-UHFFFAOYSA-N 0 0 242.322 3.270 20 10 BGCDRN CCOc1ccc(N(C)Cc2ccns2)cc1 ZINC000877180201 590298175 /nfs/dbraw/zinc/29/81/75/590298175.db2.gz QOXBBZMJXZVBGP-UHFFFAOYSA-N 0 0 248.351 3.178 20 10 BGCDRN Cc1ccc(C[N@@H+]2CCCC3(CC3)C2)c(O)c1 ZINC000877406910 590324330 /nfs/dbraw/zinc/32/43/30/590324330.db2.gz XKTNGPAPOYXHOF-UHFFFAOYSA-N 0 0 231.339 3.077 20 10 BGCDRN Cc1cccc(O)c1C[N@@H+]1CCCC2(CC2)C1 ZINC000877406935 590323576 /nfs/dbraw/zinc/32/35/76/590323576.db2.gz XRAXUGCAGPWDPY-UHFFFAOYSA-N 0 0 231.339 3.077 20 10 BGCDRN CC[C@H](NCc1ccc(C)cc1O)C(F)(F)F ZINC000877467938 590333178 /nfs/dbraw/zinc/33/31/78/590333178.db2.gz UKOCHAXZYHTDMG-NSHDSACASA-N 0 0 247.260 3.131 20 10 BGCDRN COc1ccc(N(C)Cc2cc(C)ns2)cc1 ZINC000877609066 590372907 /nfs/dbraw/zinc/37/29/07/590372907.db2.gz FCWZNLGNKADBAM-UHFFFAOYSA-N 0 0 248.351 3.097 20 10 BGCDRN Cc1ccc(C[N@@H+]2CCC23CCCC3)c(O)c1 ZINC000877609309 590372663 /nfs/dbraw/zinc/37/26/63/590372663.db2.gz KEEMAKBTAIJNRT-UHFFFAOYSA-N 0 0 231.339 3.219 20 10 BGCDRN Cc1cccc(O)c1C[N@@H+]1CCC12CCCC2 ZINC000877609732 590373015 /nfs/dbraw/zinc/37/30/15/590373015.db2.gz NMCYYJBCLCIDFS-UHFFFAOYSA-N 0 0 231.339 3.219 20 10 BGCDRN CCc1ccncc1NCc1ccc(C)cc1O ZINC000877613876 590373188 /nfs/dbraw/zinc/37/31/88/590373188.db2.gz RWSYHZYQRMMTGL-UHFFFAOYSA-N 0 0 242.322 3.270 20 10 BGCDRN CC(C)(F)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000877663619 590388837 /nfs/dbraw/zinc/38/88/37/590388837.db2.gz WDOIWFWEBOJZHM-UHFFFAOYSA-N 0 0 249.688 3.022 20 10 BGCDRN CC(C)(F)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000877663641 590388234 /nfs/dbraw/zinc/38/82/34/590388234.db2.gz WSNUJBLSKCOJTE-UHFFFAOYSA-N 0 0 249.688 3.022 20 10 BGCDRN CCC(CC)C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877702746 590395911 /nfs/dbraw/zinc/39/59/11/590395911.db2.gz FXZRACZNMVLMHX-UHFFFAOYSA-N 0 0 219.328 3.144 20 10 BGCDRN Oc1cccc2c1C[N@H+](C[C@@H]1CC[C@@H]3C[C@@H]3C1)C2 ZINC000877702904 590396447 /nfs/dbraw/zinc/39/64/47/590396447.db2.gz JKOSFTVSRUNGIG-BZPMIXESSA-N 0 0 243.350 3.144 20 10 BGCDRN CC1(C)C[NH+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000877717762 590399755 /nfs/dbraw/zinc/39/97/55/590399755.db2.gz PUXXAOISQIEIIL-UHFFFAOYSA-N 0 0 243.709 3.027 20 10 BGCDRN CCOc1ccc(N(C)Cc2nocc2C)cc1 ZINC000878123490 590500713 /nfs/dbraw/zinc/50/07/13/590500713.db2.gz AJSAFKHEOGWCBR-UHFFFAOYSA-N 0 0 246.310 3.018 20 10 BGCDRN CCN(Cc1ccns1)c1ccc(OC)cc1 ZINC000878219722 590525675 /nfs/dbraw/zinc/52/56/75/590525675.db2.gz QSCVLDJKBFHAKB-UHFFFAOYSA-N 0 0 248.351 3.178 20 10 BGCDRN CCN(Cc1nocc1C)c1ccc(OC)cc1 ZINC000878219994 590525773 /nfs/dbraw/zinc/52/57/73/590525773.db2.gz WBNGAGPYHYAMRG-UHFFFAOYSA-N 0 0 246.310 3.018 20 10 BGCDRN CCC[C@@H](C)CCNC(=O)C1=CC(=O)CS1 ZINC000881530807 591231292 /nfs/dbraw/zinc/23/12/92/591231292.db2.gz YTCYFSBIUGSEPX-SECBINFHSA-N 0 0 241.356 3.010 20 10 BGCDRN CCC[C@H](C)CCNC(=O)C1=CC(=O)CS1 ZINC000881530808 591231006 /nfs/dbraw/zinc/23/10/06/591231006.db2.gz YTCYFSBIUGSEPX-VIFPVBQESA-N 0 0 241.356 3.010 20 10 BGCDRN c1csc(SC[C@H]2CCC3(CCC3)O2)n1 ZINC000882108626 591299193 /nfs/dbraw/zinc/29/91/93/591299193.db2.gz BEIZLEKYQRICLI-SECBINFHSA-N 0 0 241.381 3.337 20 10 BGCDRN c1csc(SC[C@@H]2CCC3(CCC3)O2)n1 ZINC000882108633 591299026 /nfs/dbraw/zinc/29/90/26/591299026.db2.gz BEIZLEKYQRICLI-VIFPVBQESA-N 0 0 241.381 3.337 20 10 BGCDRN CCC(F)(F)CSc1nccs1 ZINC000882109833 591299291 /nfs/dbraw/zinc/29/92/91/591299291.db2.gz MKSRMUOBNRRMMU-UHFFFAOYSA-N 0 0 209.286 3.281 20 10 BGCDRN FC(F)(F)OCCCSc1nccs1 ZINC000882110065 591299293 /nfs/dbraw/zinc/29/92/93/591299293.db2.gz NSVCVCHQABXZDC-UHFFFAOYSA-N 0 0 243.275 3.162 20 10 BGCDRN COc1ccccc1NCc1nc(C(C)C)c[nH]1 ZINC000882905818 591472604 /nfs/dbraw/zinc/47/26/04/591472604.db2.gz VEOCIAHWMSDDCQ-UHFFFAOYSA-N 0 0 245.326 3.154 20 10 BGCDRN Oc1ccccc1C[NH2+]CC1(CC2CC2)CC1 ZINC000883249406 591589288 /nfs/dbraw/zinc/58/92/88/591589288.db2.gz FMZBOIDQQUQZTD-UHFFFAOYSA-N 0 0 231.339 3.062 20 10 BGCDRN C=C/C=C/CC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000883268436 591602122 /nfs/dbraw/zinc/60/21/22/591602122.db2.gz KXBFGUTVXUNZNN-BTDICHCPSA-N 0 0 247.338 3.184 20 10 BGCDRN C=C/C=C\CC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000883268437 591602173 /nfs/dbraw/zinc/60/21/73/591602173.db2.gz KXBFGUTVXUNZNN-FJOGCWAESA-N 0 0 247.338 3.184 20 10 BGCDRN C=C/C=C\CC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000883268438 591602588 /nfs/dbraw/zinc/60/25/88/591602588.db2.gz KXBFGUTVXUNZNN-FOQNGQEVSA-N 0 0 247.338 3.184 20 10 BGCDRN C=C/C=C/CC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000883268439 591601914 /nfs/dbraw/zinc/60/19/14/591601914.db2.gz KXBFGUTVXUNZNN-FYJFLYSWSA-N 0 0 247.338 3.184 20 10 BGCDRN Cc1ccc(O)c(CNc2cnc(C)c(C)c2)c1 ZINC000883342282 591622307 /nfs/dbraw/zinc/62/23/07/591622307.db2.gz REMKDAVPBZMALO-UHFFFAOYSA-N 0 0 242.322 3.325 20 10 BGCDRN C[C@H](N[C@@H](C)C(F)F)c1cc(Cl)ccc1O ZINC000883399604 591646057 /nfs/dbraw/zinc/64/60/57/591646057.db2.gz ROGJPUZOSAHFIK-BQBZGAKWSA-N 0 0 249.688 3.350 20 10 BGCDRN C[C@@H](N[C@@H](C)c1cc(Cl)ccc1O)C(F)F ZINC000883399605 591645801 /nfs/dbraw/zinc/64/58/01/591645801.db2.gz ROGJPUZOSAHFIK-NKWVEPMBSA-N 0 0 249.688 3.350 20 10 BGCDRN C[C@@H](N[C@H](C)C(F)F)c1cc(Cl)ccc1O ZINC000883399606 591646329 /nfs/dbraw/zinc/64/63/29/591646329.db2.gz ROGJPUZOSAHFIK-RNFRBKRXSA-N 0 0 249.688 3.350 20 10 BGCDRN C[C@@H](N[C@@H](C)C(F)F)c1cc(Cl)ccc1O ZINC000883399607 591646108 /nfs/dbraw/zinc/64/61/08/591646108.db2.gz ROGJPUZOSAHFIK-RQJHMYQMSA-N 0 0 249.688 3.350 20 10 BGCDRN Cc1ccc([C@@H](C)N[C@H](C)C(F)F)c(O)c1C ZINC000883399951 591646263 /nfs/dbraw/zinc/64/62/63/591646263.db2.gz ZSEDNSQMBYNENR-NXEZZACHSA-N 0 0 243.297 3.313 20 10 BGCDRN Cc1ccc([C@H](C)N[C@@H](C)C(F)F)c(O)c1C ZINC000883399952 591645929 /nfs/dbraw/zinc/64/59/29/591645929.db2.gz ZSEDNSQMBYNENR-UWVGGRQHSA-N 0 0 243.297 3.313 20 10 BGCDRN Cc1ccc([C@H](C)N[C@H](C)C(F)F)c(O)c1C ZINC000883399953 591646082 /nfs/dbraw/zinc/64/60/82/591646082.db2.gz ZSEDNSQMBYNENR-VHSXEESVSA-N 0 0 243.297 3.313 20 10 BGCDRN Cc1ccc([C@@H](C)N[C@@H](C)C(F)F)c(O)c1C ZINC000883399954 591645904 /nfs/dbraw/zinc/64/59/04/591645904.db2.gz ZSEDNSQMBYNENR-ZJUUUORDSA-N 0 0 243.297 3.313 20 10 BGCDRN CC[C@@H](N[C@H](C)C(F)F)c1ccc(F)cc1O ZINC000883400179 591648105 /nfs/dbraw/zinc/64/81/05/591648105.db2.gz GKIOWNKQORTXQZ-GMSGAONNSA-N 0 0 247.260 3.226 20 10 BGCDRN CC[C@@H](N[C@@H](C)C(F)F)c1ccc(F)cc1O ZINC000883400180 591646996 /nfs/dbraw/zinc/64/69/96/591646996.db2.gz GKIOWNKQORTXQZ-OIBJUYFYSA-N 0 0 247.260 3.226 20 10 BGCDRN CC[C@H](N[C@H](C)C(F)F)c1ccc(F)cc1O ZINC000883400181 591647149 /nfs/dbraw/zinc/64/71/49/591647149.db2.gz GKIOWNKQORTXQZ-XCBNKYQSSA-N 0 0 247.260 3.226 20 10 BGCDRN CC[C@H](N[C@@H](C)C(F)F)c1ccc(F)cc1O ZINC000883400182 591647057 /nfs/dbraw/zinc/64/70/57/591647057.db2.gz GKIOWNKQORTXQZ-XVKPBYJWSA-N 0 0 247.260 3.226 20 10 BGCDRN C[C@H](N[C@@H](C)C(F)F)c1ccc(Cl)cc1O ZINC000883400300 591647320 /nfs/dbraw/zinc/64/73/20/591647320.db2.gz JBCIXVZISPFWKS-BQBZGAKWSA-N 0 0 249.688 3.350 20 10 BGCDRN C[C@@H](N[C@@H](C)c1ccc(Cl)cc1O)C(F)F ZINC000883400301 591648016 /nfs/dbraw/zinc/64/80/16/591648016.db2.gz JBCIXVZISPFWKS-NKWVEPMBSA-N 0 0 249.688 3.350 20 10 BGCDRN C[C@@H](N[C@H](C)C(F)F)c1ccc(Cl)cc1O ZINC000883400302 591647337 /nfs/dbraw/zinc/64/73/37/591647337.db2.gz JBCIXVZISPFWKS-RNFRBKRXSA-N 0 0 249.688 3.350 20 10 BGCDRN C[C@@H](N[C@@H](C)C(F)F)c1ccc(Cl)cc1O ZINC000883400303 591646952 /nfs/dbraw/zinc/64/69/52/591646952.db2.gz JBCIXVZISPFWKS-RQJHMYQMSA-N 0 0 249.688 3.350 20 10 BGCDRN CC[C@@H](N[C@@H](C)C(F)F)c1ccc(C)cc1O ZINC000883400460 591647991 /nfs/dbraw/zinc/64/79/91/591647991.db2.gz NDKLRXDVIYWFLS-GXSJLCMTSA-N 0 0 243.297 3.395 20 10 BGCDRN CC[C@H](N[C@H](C)C(F)F)c1ccc(C)cc1O ZINC000883400461 591647358 /nfs/dbraw/zinc/64/73/58/591647358.db2.gz NDKLRXDVIYWFLS-KOLCDFICSA-N 0 0 243.297 3.395 20 10 BGCDRN CC[C@@H](N[C@H](C)C(F)F)c1ccc(C)cc1O ZINC000883400462 591647390 /nfs/dbraw/zinc/64/73/90/591647390.db2.gz NDKLRXDVIYWFLS-MWLCHTKSSA-N 0 0 243.297 3.395 20 10 BGCDRN CC[C@H](N[C@@H](C)C(F)F)c1ccc(C)cc1O ZINC000883400463 591647774 /nfs/dbraw/zinc/64/77/74/591647774.db2.gz NDKLRXDVIYWFLS-ONGXEEELSA-N 0 0 243.297 3.395 20 10 BGCDRN CCC[C@@H](C)CCNC(=O)Nc1ccc(N)cc1 ZINC000883570202 591693349 /nfs/dbraw/zinc/69/33/49/591693349.db2.gz WMFJVDDTQWCNOZ-LLVKDONJSA-N 0 0 249.358 3.217 20 10 BGCDRN CCC[C@H](C)CCNC(=O)Nc1ccc(N)cc1 ZINC000883570203 591692966 /nfs/dbraw/zinc/69/29/66/591692966.db2.gz WMFJVDDTQWCNOZ-NSHDSACASA-N 0 0 249.358 3.217 20 10 BGCDRN CC[C@@H]1CCC[C@]1(C)C(=O)Nc1ccc(N)cc1 ZINC000884009208 591796622 /nfs/dbraw/zinc/79/66/22/591796622.db2.gz PNIKBUUJFBYXHG-ABAIWWIYSA-N 0 0 246.354 3.424 20 10 BGCDRN CC[C@@H]1CCC[C@@]1(C)C(=O)Nc1ccc(N)cc1 ZINC000884009209 591796520 /nfs/dbraw/zinc/79/65/20/591796520.db2.gz PNIKBUUJFBYXHG-IAQYHMDHSA-N 0 0 246.354 3.424 20 10 BGCDRN CC[C@H]1CCC[C@]1(C)C(=O)Nc1ccc(N)cc1 ZINC000884009210 591796555 /nfs/dbraw/zinc/79/65/55/591796555.db2.gz PNIKBUUJFBYXHG-NHYWBVRUSA-N 0 0 246.354 3.424 20 10 BGCDRN CC[C@H]1CCC[C@@]1(C)C(=O)Nc1ccc(N)cc1 ZINC000884009211 591796648 /nfs/dbraw/zinc/79/66/48/591796648.db2.gz PNIKBUUJFBYXHG-XHDPSFHLSA-N 0 0 246.354 3.424 20 10 BGCDRN C[C@@H]([NH2+]C1CCCC1)c1c([O-])cccc1F ZINC000886487537 592233712 /nfs/dbraw/zinc/23/37/12/592233712.db2.gz IKEBMLQBYIICDX-SECBINFHSA-N 0 0 223.291 3.125 20 10 BGCDRN C[C@H]([NH2+]C1CCCC1)c1c([O-])cccc1F ZINC000886487538 592233550 /nfs/dbraw/zinc/23/35/50/592233550.db2.gz IKEBMLQBYIICDX-VIFPVBQESA-N 0 0 223.291 3.125 20 10 BGCDRN CCC[C@@H](C)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886487805 592235072 /nfs/dbraw/zinc/23/50/72/592235072.db2.gz WDXBHMJLOHCGQK-NXEZZACHSA-N 0 0 225.307 3.371 20 10 BGCDRN CCC[C@H](C)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886487806 592235171 /nfs/dbraw/zinc/23/51/71/592235171.db2.gz WDXBHMJLOHCGQK-UWVGGRQHSA-N 0 0 225.307 3.371 20 10 BGCDRN CCC[C@H](C)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886487807 592235081 /nfs/dbraw/zinc/23/50/81/592235081.db2.gz WDXBHMJLOHCGQK-VHSXEESVSA-N 0 0 225.307 3.371 20 10 BGCDRN CCC[C@@H](C)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886487808 592235093 /nfs/dbraw/zinc/23/50/93/592235093.db2.gz WDXBHMJLOHCGQK-ZJUUUORDSA-N 0 0 225.307 3.371 20 10 BGCDRN CCC(CC)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886489587 592235766 /nfs/dbraw/zinc/23/57/66/592235766.db2.gz MHXKPPOCFGCMHN-SECBINFHSA-N 0 0 225.307 3.371 20 10 BGCDRN CCC(CC)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886489588 592235710 /nfs/dbraw/zinc/23/57/10/592235710.db2.gz MHXKPPOCFGCMHN-VIFPVBQESA-N 0 0 225.307 3.371 20 10 BGCDRN C[C@H]([NH2+]CCc1ccco1)c1c([O-])cccc1F ZINC000886489665 592236097 /nfs/dbraw/zinc/23/60/97/592236097.db2.gz NXUUCESLSJOTMQ-JTQLQIEISA-N 0 0 249.285 3.018 20 10 BGCDRN C[C@@H]([NH2+]CCc1ccco1)c1c([O-])cccc1F ZINC000886489666 592235512 /nfs/dbraw/zinc/23/55/12/592235512.db2.gz NXUUCESLSJOTMQ-SNVBAGLBSA-N 0 0 249.285 3.018 20 10 BGCDRN C[C@@H]([NH2+]C(C1CC1)C1CC1)c1c([O-])cccc1F ZINC000886512251 592240293 /nfs/dbraw/zinc/24/02/93/592240293.db2.gz AIADHFRRCXHKLT-SECBINFHSA-N 0 0 249.329 3.371 20 10 BGCDRN C[C@H]([NH2+]C(C1CC1)C1CC1)c1c([O-])cccc1F ZINC000886512252 592240546 /nfs/dbraw/zinc/24/05/46/592240546.db2.gz AIADHFRRCXHKLT-VIFPVBQESA-N 0 0 249.329 3.371 20 10 BGCDRN Cc1occc1C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886514146 592240587 /nfs/dbraw/zinc/24/05/87/592240587.db2.gz IBZLGKVOKXLBSL-SECBINFHSA-N 0 0 249.285 3.284 20 10 BGCDRN Cc1occc1C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886514147 592240558 /nfs/dbraw/zinc/24/05/58/592240558.db2.gz IBZLGKVOKXLBSL-VIFPVBQESA-N 0 0 249.285 3.284 20 10 BGCDRN C[C@@H]([NH2+]C[C@@H](C)C1CC1)c1c([O-])cccc1F ZINC000886514687 592240231 /nfs/dbraw/zinc/24/02/31/592240231.db2.gz WWDBHLHOVMBDQK-NXEZZACHSA-N 0 0 237.318 3.228 20 10 BGCDRN C[C@@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)C1CC1 ZINC000886514688 592241298 /nfs/dbraw/zinc/24/12/98/592241298.db2.gz WWDBHLHOVMBDQK-UWVGGRQHSA-N 0 0 237.318 3.228 20 10 BGCDRN C[C@@H](C[NH2+][C@H](C)c1c([O-])cccc1F)C1CC1 ZINC000886514689 592240759 /nfs/dbraw/zinc/24/07/59/592240759.db2.gz WWDBHLHOVMBDQK-VHSXEESVSA-N 0 0 237.318 3.228 20 10 BGCDRN C[C@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)C1CC1 ZINC000886514690 592241552 /nfs/dbraw/zinc/24/15/52/592241552.db2.gz WWDBHLHOVMBDQK-ZJUUUORDSA-N 0 0 237.318 3.228 20 10 BGCDRN C[C@@H]([NH2+][C@@H]1CC=CCC1)c1c([O-])cccc1F ZINC000886547137 592257190 /nfs/dbraw/zinc/25/71/90/592257190.db2.gz GHBABVRTSLLWCS-GHMZBOCLSA-N 0 0 235.302 3.291 20 10 BGCDRN C[C@@H]([NH2+][C@H]1CC=CCC1)c1c([O-])cccc1F ZINC000886547138 592257444 /nfs/dbraw/zinc/25/74/44/592257444.db2.gz GHBABVRTSLLWCS-MNOVXSKESA-N 0 0 235.302 3.291 20 10 BGCDRN C[C@H]([NH2+][C@H]1CC=CCC1)c1c([O-])cccc1F ZINC000886547139 592257601 /nfs/dbraw/zinc/25/76/01/592257601.db2.gz GHBABVRTSLLWCS-QWRGUYRKSA-N 0 0 235.302 3.291 20 10 BGCDRN C[C@H]([NH2+][C@@H]1CC=CCC1)c1c([O-])cccc1F ZINC000886547140 592257325 /nfs/dbraw/zinc/25/73/25/592257325.db2.gz GHBABVRTSLLWCS-WDEREUQCSA-N 0 0 235.302 3.291 20 10 BGCDRN C[C@H]([NH2+]CC1(C2CC2)CC1)c1c([O-])cccc1F ZINC000886555138 592258462 /nfs/dbraw/zinc/25/84/62/592258462.db2.gz LTVPJROKPWEODG-JTQLQIEISA-N 0 0 249.329 3.372 20 10 BGCDRN C[C@@H]([NH2+]CC1(C2CC2)CC1)c1c([O-])cccc1F ZINC000886555139 592259391 /nfs/dbraw/zinc/25/93/91/592259391.db2.gz LTVPJROKPWEODG-SNVBAGLBSA-N 0 0 249.329 3.372 20 10 BGCDRN C[C@@H]([NH2+][C@H](C)C1CCC1)c1c([O-])cccc1F ZINC000886557372 592260145 /nfs/dbraw/zinc/26/01/45/592260145.db2.gz ZLJCAZKEKYQBDY-NXEZZACHSA-N 0 0 237.318 3.371 20 10 BGCDRN C[C@H]([NH2+][C@@H](C)C1CCC1)c1c([O-])cccc1F ZINC000886557373 592260238 /nfs/dbraw/zinc/26/02/38/592260238.db2.gz ZLJCAZKEKYQBDY-UWVGGRQHSA-N 0 0 237.318 3.371 20 10 BGCDRN C[C@@H]([NH2+][C@@H](C)C1CCC1)c1c([O-])cccc1F ZINC000886557374 592260358 /nfs/dbraw/zinc/26/03/58/592260358.db2.gz ZLJCAZKEKYQBDY-VHSXEESVSA-N 0 0 237.318 3.371 20 10 BGCDRN C[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)C1CCC1 ZINC000886557375 592260082 /nfs/dbraw/zinc/26/00/82/592260082.db2.gz ZLJCAZKEKYQBDY-ZJUUUORDSA-N 0 0 237.318 3.371 20 10 BGCDRN C[C@@H]([NH2+][C@H](C)c1c([O-])cccc1F)c1ccc[nH]1 ZINC000886558960 645887383 /nfs/dbraw/zinc/88/73/83/645887383.db2.gz WQVZONRVBFIJEV-NXEZZACHSA-N 0 0 248.301 3.271 20 10 BGCDRN C[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1ccc[nH]1 ZINC000886558961 645888101 /nfs/dbraw/zinc/88/81/01/645888101.db2.gz WQVZONRVBFIJEV-UWVGGRQHSA-N 0 0 248.301 3.271 20 10 BGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc[nH]1)c1c([O-])cccc1F ZINC000886558962 645888467 /nfs/dbraw/zinc/88/84/67/645888467.db2.gz WQVZONRVBFIJEV-VHSXEESVSA-N 0 0 248.301 3.271 20 10 BGCDRN C[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1ccc[nH]1 ZINC000886558963 645887785 /nfs/dbraw/zinc/88/77/85/645887785.db2.gz WQVZONRVBFIJEV-ZJUUUORDSA-N 0 0 248.301 3.271 20 10 BGCDRN C[C@@H]([NH2+][C@H](C)C1(C)CC1)c1c([O-])cccc1F ZINC000886568208 592261771 /nfs/dbraw/zinc/26/17/71/592261771.db2.gz DJKKVSMZYTVOQK-NXEZZACHSA-N 0 0 237.318 3.371 20 10 BGCDRN C[C@H]([NH2+][C@@H](C)C1(C)CC1)c1c([O-])cccc1F ZINC000886568209 592260862 /nfs/dbraw/zinc/26/08/62/592260862.db2.gz DJKKVSMZYTVOQK-UWVGGRQHSA-N 0 0 237.318 3.371 20 10 BGCDRN C[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)C1(C)CC1 ZINC000886568210 592261462 /nfs/dbraw/zinc/26/14/62/592261462.db2.gz DJKKVSMZYTVOQK-VHSXEESVSA-N 0 0 237.318 3.371 20 10 BGCDRN C[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1c([O-])cccc1F ZINC000886568211 592261024 /nfs/dbraw/zinc/26/10/24/592261024.db2.gz DJKKVSMZYTVOQK-ZJUUUORDSA-N 0 0 237.318 3.371 20 10 BGCDRN C[C@@H]([NH2+]C1(C2CC2)CC1)c1c([O-])cccc1F ZINC000886576260 592266756 /nfs/dbraw/zinc/26/67/56/592266756.db2.gz BIINPJFWUQGJNR-SECBINFHSA-N 0 0 235.302 3.125 20 10 BGCDRN C[C@H]([NH2+]C1(C2CC2)CC1)c1c([O-])cccc1F ZINC000886576261 592266853 /nfs/dbraw/zinc/26/68/53/592266853.db2.gz BIINPJFWUQGJNR-VIFPVBQESA-N 0 0 235.302 3.125 20 10 BGCDRN CC(C)=CC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886599059 592273148 /nfs/dbraw/zinc/27/31/48/592273148.db2.gz PXSNPOXVAVQILH-JTQLQIEISA-N 0 0 223.291 3.148 20 10 BGCDRN CC(C)=CC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886599060 592271825 /nfs/dbraw/zinc/27/18/25/592271825.db2.gz PXSNPOXVAVQILH-SNVBAGLBSA-N 0 0 223.291 3.148 20 10 BGCDRN C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1c([O-])cccc1F ZINC000886609010 592274200 /nfs/dbraw/zinc/27/42/00/592274200.db2.gz JUHUUXGFXYKYBR-BXKDBHETSA-N 0 0 237.318 3.371 20 10 BGCDRN C[C@H]([NH2+][C@H]1CCC1(C)C)c1c([O-])cccc1F ZINC000886609011 592274480 /nfs/dbraw/zinc/27/44/80/592274480.db2.gz JUHUUXGFXYKYBR-CABZTGNLSA-N 0 0 237.318 3.371 20 10 BGCDRN C[C@H]([NH2+][C@@H]1CCC1(C)C)c1c([O-])cccc1F ZINC000886609012 592272674 /nfs/dbraw/zinc/27/26/74/592272674.db2.gz JUHUUXGFXYKYBR-JOYOIKCWSA-N 0 0 237.318 3.371 20 10 BGCDRN C[C@@H]([NH2+][C@H]1CCC1(C)C)c1c([O-])cccc1F ZINC000886609013 592273050 /nfs/dbraw/zinc/27/30/50/592273050.db2.gz JUHUUXGFXYKYBR-SKDRFNHKSA-N 0 0 237.318 3.371 20 10 BGCDRN Cc1ccoc1C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886613802 592275762 /nfs/dbraw/zinc/27/57/62/592275762.db2.gz FNIAQTSGKHCLAE-JTQLQIEISA-N 0 0 249.285 3.284 20 10 BGCDRN Cc1ccoc1C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886613803 592276300 /nfs/dbraw/zinc/27/63/00/592276300.db2.gz FNIAQTSGKHCLAE-SNVBAGLBSA-N 0 0 249.285 3.284 20 10 BGCDRN C[C@@H]([NH2+]CCC(C)(F)F)c1c([O-])cccc1F ZINC000886615507 592275680 /nfs/dbraw/zinc/27/56/80/592275680.db2.gz HVZRUSYMXOQGJG-MRVPVSSYSA-N 0 0 247.260 3.227 20 10 BGCDRN C[C@H]([NH2+]CCC(C)(F)F)c1c([O-])cccc1F ZINC000886615508 592275923 /nfs/dbraw/zinc/27/59/23/592275923.db2.gz HVZRUSYMXOQGJG-QMMMGPOBSA-N 0 0 247.260 3.227 20 10 BGCDRN CC(C)C1([NH2+][C@@H](C)c2c([O-])cccc2F)CC1 ZINC000886615533 592276454 /nfs/dbraw/zinc/27/64/54/592276454.db2.gz IKLAHVKPYAVQOJ-JTQLQIEISA-N 0 0 237.318 3.371 20 10 BGCDRN CC(C)C1([NH2+][C@H](C)c2c([O-])cccc2F)CC1 ZINC000886615534 592275696 /nfs/dbraw/zinc/27/56/96/592275696.db2.gz IKLAHVKPYAVQOJ-SNVBAGLBSA-N 0 0 237.318 3.371 20 10 BGCDRN CCC1([NH2+][C@H](C)c2c([O-])cccc2F)CC1 ZINC000886617259 592276062 /nfs/dbraw/zinc/27/60/62/592276062.db2.gz ISHSFWWWZHMCKZ-SECBINFHSA-N 0 0 223.291 3.125 20 10 BGCDRN CCC1([NH2+][C@@H](C)c2c([O-])cccc2F)CC1 ZINC000886617260 592276460 /nfs/dbraw/zinc/27/64/60/592276460.db2.gz ISHSFWWWZHMCKZ-VIFPVBQESA-N 0 0 223.291 3.125 20 10 BGCDRN CC/C=C\C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886619309 592277229 /nfs/dbraw/zinc/27/72/29/592277229.db2.gz ZBAAOYIGVHQHRM-LWTINBJPSA-N 0 0 223.291 3.148 20 10 BGCDRN CC/C=C/C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886619310 592277458 /nfs/dbraw/zinc/27/74/58/592277458.db2.gz ZBAAOYIGVHQHRM-ORAHPGNNSA-N 0 0 223.291 3.148 20 10 BGCDRN CC/C=C\C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886619311 592277476 /nfs/dbraw/zinc/27/74/76/592277476.db2.gz ZBAAOYIGVHQHRM-UMCURTJPSA-N 0 0 223.291 3.148 20 10 BGCDRN CC/C=C/C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886619312 592276990 /nfs/dbraw/zinc/27/69/90/592276990.db2.gz ZBAAOYIGVHQHRM-YEZKRMTDSA-N 0 0 223.291 3.148 20 10 BGCDRN C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1c([O-])cccc1F ZINC000886622454 592278829 /nfs/dbraw/zinc/27/88/29/592278829.db2.gz UDCHLITXBYQWBI-DLOVCJGASA-N 0 0 249.329 3.228 20 10 BGCDRN C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1c([O-])cccc1F ZINC000886622455 592278951 /nfs/dbraw/zinc/27/89/51/592278951.db2.gz UDCHLITXBYQWBI-USWWRNFRSA-N 0 0 249.329 3.228 20 10 BGCDRN C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1c([O-])cccc1F ZINC000886625391 592279770 /nfs/dbraw/zinc/27/97/70/592279770.db2.gz PPMINPYXYINLRT-DCQANWLSSA-N 0 0 249.329 3.371 20 10 BGCDRN C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1c([O-])cccc1F ZINC000886625392 592279011 /nfs/dbraw/zinc/27/90/11/592279011.db2.gz PPMINPYXYINLRT-HNCHTBHHSA-N 0 0 249.329 3.371 20 10 BGCDRN C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1c([O-])cccc1F ZINC000886625393 592278886 /nfs/dbraw/zinc/27/88/86/592278886.db2.gz PPMINPYXYINLRT-NOHGZBONSA-N 0 0 249.329 3.371 20 10 BGCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1c([O-])cccc1F ZINC000886625394 592278883 /nfs/dbraw/zinc/27/88/83/592278883.db2.gz PPMINPYXYINLRT-SRRSOLGSSA-N 0 0 249.329 3.371 20 10 BGCDRN C[C@H]([NH2+][C@@H]1CC[C@H]2C[C@H]2C1)c1c([O-])cccc1F ZINC000886631317 592282495 /nfs/dbraw/zinc/28/24/95/592282495.db2.gz KBHKCBPWSLCHPU-FIQHERPVSA-N 0 0 249.329 3.371 20 10 BGCDRN C[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)c1c([O-])cccc1F ZINC000886631318 592283212 /nfs/dbraw/zinc/28/32/12/592283212.db2.gz KBHKCBPWSLCHPU-IRCOFANPSA-N 0 0 249.329 3.371 20 10 BGCDRN CC[C@@H]([NH2+][C@H](C)c1c([O-])cccc1F)C1CC1 ZINC000886637867 592286000 /nfs/dbraw/zinc/28/60/00/592286000.db2.gz HAJDJAAWOGVICZ-BXKDBHETSA-N 0 0 237.318 3.371 20 10 BGCDRN CC[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)C1CC1 ZINC000886637868 592286522 /nfs/dbraw/zinc/28/65/22/592286522.db2.gz HAJDJAAWOGVICZ-CABZTGNLSA-N 0 0 237.318 3.371 20 10 BGCDRN CC[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)C1CC1 ZINC000886637869 592285751 /nfs/dbraw/zinc/28/57/51/592285751.db2.gz HAJDJAAWOGVICZ-JOYOIKCWSA-N 0 0 237.318 3.371 20 10 BGCDRN CC[C@H]([NH2+][C@H](C)c1c([O-])cccc1F)C1CC1 ZINC000886637870 592286559 /nfs/dbraw/zinc/28/65/59/592286559.db2.gz HAJDJAAWOGVICZ-SKDRFNHKSA-N 0 0 237.318 3.371 20 10 BGCDRN C[C@H]([NH2+]CCc1ccoc1)c1c([O-])cccc1F ZINC000886638116 592286504 /nfs/dbraw/zinc/28/65/04/592286504.db2.gz MHJLSMUGXHHRNZ-JTQLQIEISA-N 0 0 249.285 3.018 20 10 BGCDRN C[C@@H]([NH2+]CCc1ccoc1)c1c([O-])cccc1F ZINC000886638117 592286083 /nfs/dbraw/zinc/28/60/83/592286083.db2.gz MHJLSMUGXHHRNZ-SNVBAGLBSA-N 0 0 249.285 3.018 20 10 BGCDRN C[C@@H]([NH2+]CCC(C)(C)F)c1c([O-])cccc1F ZINC000886638488 592286022 /nfs/dbraw/zinc/28/60/22/592286022.db2.gz VVSYASKKWHCSQR-SECBINFHSA-N 0 0 243.297 3.320 20 10 BGCDRN C[C@H]([NH2+]CCC(C)(C)F)c1c([O-])cccc1F ZINC000886638489 592285597 /nfs/dbraw/zinc/28/55/97/592285597.db2.gz VVSYASKKWHCSQR-VIFPVBQESA-N 0 0 243.297 3.320 20 10 BGCDRN C[C@H]([NH2+]CC1=CCCC1)c1c([O-])cccc1F ZINC000886639611 592286342 /nfs/dbraw/zinc/28/63/42/592286342.db2.gz HHBBLOFTRPKXDS-JTQLQIEISA-N 0 0 235.302 3.292 20 10 BGCDRN C[C@@H]([NH2+]CC1=CCCC1)c1c([O-])cccc1F ZINC000886639612 592286450 /nfs/dbraw/zinc/28/64/50/592286450.db2.gz HHBBLOFTRPKXDS-SNVBAGLBSA-N 0 0 235.302 3.292 20 10 BGCDRN C[C@@H]([NH2+]C1CC(C)(C)C1)c1c([O-])cccc1F ZINC000886640021 592285535 /nfs/dbraw/zinc/28/55/35/592285535.db2.gz PRPGLFSMBXZNOW-SECBINFHSA-N 0 0 237.318 3.371 20 10 BGCDRN C[C@H]([NH2+]C1CC(C)(C)C1)c1c([O-])cccc1F ZINC000886640022 592286154 /nfs/dbraw/zinc/28/61/54/592286154.db2.gz PRPGLFSMBXZNOW-VIFPVBQESA-N 0 0 237.318 3.371 20 10 BGCDRN C[C@H]([NH2+]CC1CC=CC1)c1c([O-])cccc1F ZINC000886641432 592286965 /nfs/dbraw/zinc/28/69/65/592286965.db2.gz JFJBXMDKKUOHTR-JTQLQIEISA-N 0 0 235.302 3.148 20 10 BGCDRN C[C@@H]([NH2+]CC1CC=CC1)c1c([O-])cccc1F ZINC000886641433 592287826 /nfs/dbraw/zinc/28/78/26/592287826.db2.gz JFJBXMDKKUOHTR-SNVBAGLBSA-N 0 0 235.302 3.148 20 10 BGCDRN CCC(F)(F)CN[C@H](C)c1c(O)cccc1F ZINC000886643298 592286921 /nfs/dbraw/zinc/28/69/21/592286921.db2.gz QKTVPDULCJCRAO-MRVPVSSYSA-N 0 0 247.260 3.227 20 10 BGCDRN CCC(F)(F)CN[C@@H](C)c1c(O)cccc1F ZINC000886643299 592287153 /nfs/dbraw/zinc/28/71/53/592287153.db2.gz QKTVPDULCJCRAO-QMMMGPOBSA-N 0 0 247.260 3.227 20 10 BGCDRN Cc1ccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)o1 ZINC000886646727 592289451 /nfs/dbraw/zinc/28/94/51/592289451.db2.gz RKXCZSIOKXGRJS-JTQLQIEISA-N 0 0 249.285 3.284 20 10 BGCDRN Cc1ccc(C[NH2+][C@H](C)c2c([O-])cccc2F)o1 ZINC000886646728 592289234 /nfs/dbraw/zinc/28/92/34/592289234.db2.gz RKXCZSIOKXGRJS-SNVBAGLBSA-N 0 0 249.285 3.284 20 10 BGCDRN C=C/C=C\CC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886649675 592289071 /nfs/dbraw/zinc/28/90/71/592289071.db2.gz FZSHPDHSCMTWHR-DOGVGXBMSA-N 0 0 235.302 3.314 20 10 BGCDRN C=C/C=C/CC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886649676 592289571 /nfs/dbraw/zinc/28/95/71/592289571.db2.gz FZSHPDHSCMTWHR-SGUJLRQBSA-N 0 0 235.302 3.314 20 10 BGCDRN C=C/C=C\CC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886649677 592288549 /nfs/dbraw/zinc/28/85/49/592288549.db2.gz FZSHPDHSCMTWHR-WYGGZMRJSA-N 0 0 235.302 3.314 20 10 BGCDRN C=C/C=C/CC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886649678 592288972 /nfs/dbraw/zinc/28/89/72/592288972.db2.gz FZSHPDHSCMTWHR-ZWNMCFTASA-N 0 0 235.302 3.314 20 10 BGCDRN C[C@@H]([NH2+]C[C@@H]1C=CCC1)c1c([O-])cccc1F ZINC000886649969 592288771 /nfs/dbraw/zinc/28/87/71/592288771.db2.gz MLOFQDJVSGILEL-GHMZBOCLSA-N 0 0 235.302 3.148 20 10 BGCDRN C[C@@H]([NH2+]C[C@H]1C=CCC1)c1c([O-])cccc1F ZINC000886649970 592288657 /nfs/dbraw/zinc/28/86/57/592288657.db2.gz MLOFQDJVSGILEL-MNOVXSKESA-N 0 0 235.302 3.148 20 10 BGCDRN C[C@H]([NH2+]C[C@H]1C=CCC1)c1c([O-])cccc1F ZINC000886649971 592289041 /nfs/dbraw/zinc/28/90/41/592289041.db2.gz MLOFQDJVSGILEL-QWRGUYRKSA-N 0 0 235.302 3.148 20 10 BGCDRN C[C@H]([NH2+]C[C@@H]1C=CCC1)c1c([O-])cccc1F ZINC000886649972 592289390 /nfs/dbraw/zinc/28/93/90/592289390.db2.gz MLOFQDJVSGILEL-WDEREUQCSA-N 0 0 235.302 3.148 20 10 BGCDRN Cc1nc(Sc2nccs2)sc1C ZINC000892694792 582957784 /nfs/dbraw/zinc/95/77/84/582957784.db2.gz WSKYIZZVWYGGBT-UHFFFAOYSA-N 0 0 228.367 3.368 20 10 BGCDRN c1csc(Sc2nnc(C3CC3)s2)n1 ZINC000892766887 582978691 /nfs/dbraw/zinc/97/86/91/582978691.db2.gz DLZQMGOOSCMVHV-UHFFFAOYSA-N 0 0 241.366 3.023 20 10 BGCDRN C/C(=C\Cl)CSc1nccs1 ZINC000893656873 583188911 /nfs/dbraw/zinc/18/89/11/583188911.db2.gz YBGPBZBRNUWREQ-GQCTYLIASA-N 0 0 205.735 3.378 20 10 BGCDRN C/C(=C/Cl)CSc1nccs1 ZINC000893656875 583188909 /nfs/dbraw/zinc/18/89/09/583188909.db2.gz YBGPBZBRNUWREQ-XQRVVYSFSA-N 0 0 205.735 3.378 20 10 BGCDRN CCC[N@H+](Cc1cc(F)cc(F)c1[O-])C1CC1 ZINC000893938830 583253553 /nfs/dbraw/zinc/25/35/53/583253553.db2.gz BZVJBFPPEFBFJV-UHFFFAOYSA-N 0 0 241.281 3.045 20 10 BGCDRN CC(C)[N@H+](Cc1cc(F)cc(F)c1[O-])C1CC1 ZINC000893953618 583261348 /nfs/dbraw/zinc/26/13/48/583261348.db2.gz GWIRJWIFLYYJLX-UHFFFAOYSA-N 0 0 241.281 3.043 20 10 BGCDRN CC[N@H+](Cc1cc(F)cc(F)c1[O-])C1CCC1 ZINC000894040704 583284181 /nfs/dbraw/zinc/28/41/81/583284181.db2.gz VIDIEXZCWFLYIE-UHFFFAOYSA-N 0 0 241.281 3.045 20 10 BGCDRN CC(C)c1c[nH]c(Sc2nccs2)n1 ZINC000894736174 583514935 /nfs/dbraw/zinc/51/49/35/583514935.db2.gz HLSFEEHQIDKZLQ-UHFFFAOYSA-N 0 0 225.342 3.141 20 10 BGCDRN CCC[C@@H](O)CCCSc1nccs1 ZINC000894913401 583554738 /nfs/dbraw/zinc/55/47/38/583554738.db2.gz MZVKACCZFTUWPW-SECBINFHSA-N 0 0 231.386 3.176 20 10 BGCDRN CCC[C@H](O)CCCSc1nccs1 ZINC000894913402 583554782 /nfs/dbraw/zinc/55/47/82/583554782.db2.gz MZVKACCZFTUWPW-VIFPVBQESA-N 0 0 231.386 3.176 20 10 BGCDRN Cc1cccc(CNc2cnc(C)c(C)c2)c1O ZINC000895645092 583700578 /nfs/dbraw/zinc/70/05/78/583700578.db2.gz MDQPKGOKEMGNER-UHFFFAOYSA-N 0 0 242.322 3.325 20 10 BGCDRN Cc1cccc(O)c1CNc1cnc(C)c(C)c1 ZINC000895645401 583700344 /nfs/dbraw/zinc/70/03/44/583700344.db2.gz QHZGGLPBCMDJKX-UHFFFAOYSA-N 0 0 242.322 3.325 20 10 BGCDRN Cc1ccc(CNc2cnc(C)c(C)c2)c(O)c1 ZINC000895645669 583700563 /nfs/dbraw/zinc/70/05/63/583700563.db2.gz SIVQUJBUSKRSDK-UHFFFAOYSA-N 0 0 242.322 3.325 20 10 BGCDRN CCc1ccc(NCc2c(C)cccc2O)nc1 ZINC000895690282 583707500 /nfs/dbraw/zinc/70/75/00/583707500.db2.gz DZOHVIMSVFWIIV-UHFFFAOYSA-N 0 0 242.322 3.270 20 10 BGCDRN CCc1ccc(NCc2ccc(C)cc2O)nc1 ZINC000895690300 583707289 /nfs/dbraw/zinc/70/72/89/583707289.db2.gz FMJMGMODGKTVLL-UHFFFAOYSA-N 0 0 242.322 3.270 20 10 BGCDRN CCc1ccc(NCc2cccc(C)c2O)nc1 ZINC000895694258 583708487 /nfs/dbraw/zinc/70/84/87/583708487.db2.gz JIHFBZKWEQPIMH-UHFFFAOYSA-N 0 0 242.322 3.270 20 10 BGCDRN Cc1cc(O)c(CN[C@H](C)C(F)F)cc1Cl ZINC000895725927 636175664 /nfs/dbraw/zinc/17/56/64/636175664.db2.gz VRZNBFYUMAKTNH-SSDOTTSWSA-N 0 0 249.688 3.097 20 10 BGCDRN Cc1cc(O)c(CN[C@@H](C)C(F)F)cc1Cl ZINC000895725929 636175094 /nfs/dbraw/zinc/17/50/94/636175094.db2.gz VRZNBFYUMAKTNH-ZETCQYMHSA-N 0 0 249.688 3.097 20 10 BGCDRN C[N@H+](CCCF)Cc1ccc2ccccc2c1O ZINC000895896514 583743331 /nfs/dbraw/zinc/74/33/31/583743331.db2.gz WHMRYWWWNBMVFR-UHFFFAOYSA-N 0 0 247.313 3.337 20 10 BGCDRN CC1=CC[C@@H]([NH2+]Cc2c([O-])cccc2F)CC1 ZINC000896637097 583819128 /nfs/dbraw/zinc/81/91/28/583819128.db2.gz HNEBMXJIGQMIQC-LLVKDONJSA-N 0 0 235.302 3.120 20 10 BGCDRN CC1=CC[C@H]([NH2+]Cc2c([O-])cccc2F)CC1 ZINC000896637099 583819305 /nfs/dbraw/zinc/81/93/05/583819305.db2.gz HNEBMXJIGQMIQC-NSHDSACASA-N 0 0 235.302 3.120 20 10 BGCDRN Cc1cc(C[NH2+]Cc2c([O-])cccc2F)c(C)o1 ZINC000896639690 583820217 /nfs/dbraw/zinc/82/02/17/583820217.db2.gz DEUIBJKPKIOHIZ-UHFFFAOYSA-N 0 0 249.285 3.031 20 10 BGCDRN 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3.324 20 10 BGCDRN CC[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898219135 584093366 /nfs/dbraw/zinc/09/33/66/584093366.db2.gz VKNDTISWPPIULY-SKDRFNHKSA-N 0 0 239.746 3.324 20 10 BGCDRN CC(C)Nc1ccccc1NCCOC(F)F ZINC000901433519 584445129 /nfs/dbraw/zinc/44/51/29/584445129.db2.gz XFMYVOHUVRQVEE-UHFFFAOYSA-N 0 0 244.285 3.158 20 10 BGCDRN Cc1nnsc1[C@H](C)Sc1nccs1 ZINC000901476984 584448802 /nfs/dbraw/zinc/44/88/02/584448802.db2.gz LGDDMSYQTVDCPT-LURJTMIESA-N 0 0 243.382 3.156 20 10 BGCDRN Cc1nnsc1[C@@H](C)Sc1nccs1 ZINC000901476985 584448642 /nfs/dbraw/zinc/44/86/42/584448642.db2.gz LGDDMSYQTVDCPT-ZCFIWIBFSA-N 0 0 243.382 3.156 20 10 BGCDRN Cc1cc(C)nc(CSc2nccs2)c1 ZINC000901477797 584449003 /nfs/dbraw/zinc/44/90/03/584449003.db2.gz RRRJEFDXGXMYGD-UHFFFAOYSA-N 0 0 236.365 3.447 20 10 BGCDRN C[C@@H]1C[C@H](CSc2nccs2)C[C@H](C)O1 ZINC000901478192 584448981 /nfs/dbraw/zinc/44/89/81/584448981.db2.gz SOEOVYOAOYGBJI-MYJAWHEDSA-N 0 0 243.397 3.439 20 10 BGCDRN CCO[C@@H](C)Sc1ncc(Cl)s1 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