smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOCCC[N@H+](C)[C@@H](C)c1ccccc1F ZINC000159362554 206090238 /nfs/dbraw/zinc/09/02/38/206090238.db2.gz UWODGFILIHORQN-LBPRGKRZSA-N 1 0 239.334 3.245 20 70 BGIDRO CCOCCC[N@H+](C)[C@H](C)c1ccccc1F ZINC000159362692 388009159 /nfs/dbraw/zinc/00/91/59/388009159.db2.gz UWODGFILIHORQN-GFCCVEGCSA-N 1 0 239.334 3.245 20 70 BGIDRO CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)c1ccco1 ZINC000159400360 345430447 /nfs/dbraw/zinc/43/04/47/345430447.db2.gz MSLZEZDLHRXSTA-JSGCOSHPSA-N 1 0 239.359 3.117 20 70 BGIDRO CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccco1 ZINC000159400504 345430668 /nfs/dbraw/zinc/43/06/68/345430668.db2.gz MSLZEZDLHRXSTA-GXTWGEPZSA-N 1 0 239.359 3.117 20 70 BGIDRO CC(C)CC[C@](C)(O)C[NH2+][C@H](C(C)C)C1CC1 ZINC000159430114 384143894 /nfs/dbraw/zinc/14/38/94/384143894.db2.gz YVMBGUVZLOKWPT-CABCVRRESA-N 1 0 241.419 3.198 20 70 BGIDRO CC(C)CC[C@@](C)(O)C[NH2+][C@H](C(C)C)C1CC1 ZINC000159430242 322968488 /nfs/dbraw/zinc/96/84/88/322968488.db2.gz YVMBGUVZLOKWPT-HUUCEWRRSA-N 1 0 241.419 3.198 20 70 BGIDRO CC(C)CC[C@](C)(O)C[NH2+][C@@H](C(C)C)C1CC1 ZINC000159430364 384143005 /nfs/dbraw/zinc/14/30/05/384143005.db2.gz YVMBGUVZLOKWPT-GJZGRUSLSA-N 1 0 241.419 3.198 20 70 BGIDRO CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C(C)C)C1CC1 ZINC000159430470 384142813 /nfs/dbraw/zinc/14/28/13/384142813.db2.gz YVMBGUVZLOKWPT-LSDHHAIUSA-N 1 0 241.419 3.198 20 70 BGIDRO c1cc([C@@H]2CCC[N@@H+](CCC3CCCC3)C2)n[nH]1 ZINC000159430520 345433757 /nfs/dbraw/zinc/43/37/57/345433757.db2.gz FJAICAYXUZMYRP-CQSZACIVSA-N 1 0 247.386 3.169 20 70 BGIDRO c1cc([C@H]2CCC[N@@H+](CCC3CCCC3)C2)n[nH]1 ZINC000159430615 345433572 /nfs/dbraw/zinc/43/35/72/345433572.db2.gz FJAICAYXUZMYRP-AWEZNQCLSA-N 1 0 247.386 3.169 20 70 BGIDRO COc1cccnc1N[C@H]1CCCC[C@H]1C ZINC000159465320 538877271 /nfs/dbraw/zinc/87/72/71/538877271.db2.gz GHYRKVIHRVMDSW-MNOVXSKESA-N 1 0 220.316 3.081 20 70 BGIDRO COc1cccnc1N[C@H]1CCCC[C@@H]1C ZINC000159465460 538877034 /nfs/dbraw/zinc/87/70/34/538877034.db2.gz GHYRKVIHRVMDSW-QWRGUYRKSA-N 1 0 220.316 3.081 20 70 BGIDRO COc1cccnc1N[C@@H]1CCCC[C@H]1C ZINC000159465600 538877341 /nfs/dbraw/zinc/87/73/41/538877341.db2.gz GHYRKVIHRVMDSW-GHMZBOCLSA-N 1 0 220.316 3.081 20 70 BGIDRO COc1cccnc1N[C@@H]1CCCC[C@@H]1C ZINC000159465751 538877267 /nfs/dbraw/zinc/87/72/67/538877267.db2.gz GHYRKVIHRVMDSW-WDEREUQCSA-N 1 0 220.316 3.081 20 70 BGIDRO CC[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159477802 384249913 /nfs/dbraw/zinc/24/99/13/384249913.db2.gz JPGKJQJSGGOEAH-XHSDSOJGSA-N 1 0 247.382 3.231 20 70 BGIDRO CC[C@@H](C)[NH2+]CCc1cc(C)cc(C)c1 ZINC000159493270 529373752 /nfs/dbraw/zinc/37/37/52/529373752.db2.gz HPMBPELGKGWPRW-CYBMUJFWSA-N 1 0 205.345 3.234 20 70 BGIDRO CC[C@H](C)[NH2+]CCc1cc(C)cc(C)c1 ZINC000159493392 388017860 /nfs/dbraw/zinc/01/78/60/388017860.db2.gz HPMBPELGKGWPRW-ZDUSSCGKSA-N 1 0 205.345 3.234 20 70 BGIDRO C(C[N@@H+]1CCC[C@H]1C1CCCC1)OCC1CC1 ZINC000159505871 345439015 /nfs/dbraw/zinc/43/90/15/345439015.db2.gz SPCFMHMFGIFXRW-HNNXBMFYSA-N 1 0 237.387 3.068 20 70 BGIDRO C(C[N@@H+]1CCC[C@@H]1C1CCCC1)OCC1CC1 ZINC000159506026 345439320 /nfs/dbraw/zinc/43/93/20/345439320.db2.gz SPCFMHMFGIFXRW-OAHLLOKOSA-N 1 0 237.387 3.068 20 70 BGIDRO CCOCCC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000159506483 345438837 /nfs/dbraw/zinc/43/88/37/345438837.db2.gz GESWEOCCMFVNBW-CQSZACIVSA-N 1 0 225.376 3.068 20 70 BGIDRO CCOCCC[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000159506634 345439030 /nfs/dbraw/zinc/43/90/30/345439030.db2.gz GESWEOCCMFVNBW-AWEZNQCLSA-N 1 0 225.376 3.068 20 70 BGIDRO Cc1ccccc1[C@H](C)[N@H+](C)CCOCC1CC1 ZINC000159513447 323019743 /nfs/dbraw/zinc/01/97/43/323019743.db2.gz OLIJZGHFJZIEOA-AWEZNQCLSA-N 1 0 247.382 3.414 20 70 BGIDRO CCOC(C)(C)CNc1cc[nH+]c2ccccc12 ZINC000159520042 134778519 /nfs/dbraw/zinc/77/85/19/134778519.db2.gz YVUHSMKHTOWIIX-UHFFFAOYSA-N 1 0 244.338 3.462 20 70 BGIDRO C([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C1CCCCC1 ZINC000159523711 323035656 /nfs/dbraw/zinc/03/56/56/323035656.db2.gz WJIKOHNNEJMOMG-ZNMIVQPWSA-N 1 0 249.398 3.114 20 70 BGIDRO C([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C1CCCCC1 ZINC000159523983 323035654 /nfs/dbraw/zinc/03/56/54/323035654.db2.gz WJIKOHNNEJMOMG-KFWWJZLASA-N 1 0 249.398 3.114 20 70 BGIDRO C[C@H](O)C[N@H+](C)[C@@H](C)c1ccc2ccccc2c1 ZINC000159535037 345441421 /nfs/dbraw/zinc/44/14/21/345441421.db2.gz SQDHKFDMQIUDHM-STQMWFEESA-N 1 0 243.350 3.213 20 70 BGIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)c1ccc2ccccc2c1 ZINC000159535162 345441324 /nfs/dbraw/zinc/44/13/24/345441324.db2.gz SQDHKFDMQIUDHM-OLZOCXBDSA-N 1 0 243.350 3.213 20 70 BGIDRO C[C@H](O)C[N@H+](C)[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000159535980 323036049 /nfs/dbraw/zinc/03/60/49/323036049.db2.gz WXNFOKJRFFKYGQ-STQMWFEESA-N 1 0 249.398 3.358 20 70 BGIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000159536072 323035992 /nfs/dbraw/zinc/03/59/92/323035992.db2.gz WXNFOKJRFFKYGQ-OLZOCXBDSA-N 1 0 249.398 3.358 20 70 BGIDRO CC[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@@H](C)O ZINC000159536264 346424556 /nfs/dbraw/zinc/42/45/56/346424556.db2.gz YFIDACSFRVKWIY-MFKMUULPSA-N 1 0 241.762 3.104 20 70 BGIDRO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCSC1 ZINC000159536291 538877559 /nfs/dbraw/zinc/87/75/59/538877559.db2.gz NMZVOASJNOUKGV-DOMZBBRYSA-N 1 0 247.407 3.468 20 70 BGIDRO CC[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@@H](C)O ZINC000159536368 384338120 /nfs/dbraw/zinc/33/81/20/384338120.db2.gz YFIDACSFRVKWIY-ZWNOBZJWSA-N 1 0 241.762 3.104 20 70 BGIDRO Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCCSC1 ZINC000159536401 538877914 /nfs/dbraw/zinc/87/79/14/538877914.db2.gz NMZVOASJNOUKGV-IUODEOHRSA-N 1 0 247.407 3.468 20 70 BGIDRO Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCSC1 ZINC000159536474 538877699 /nfs/dbraw/zinc/87/76/99/538877699.db2.gz NMZVOASJNOUKGV-WFASDCNBSA-N 1 0 247.407 3.468 20 70 BGIDRO Cc1cccc2c1CC[C@H]2[NH2+][C@H]1CCCSC1 ZINC000159536606 538877710 /nfs/dbraw/zinc/87/77/10/538877710.db2.gz NMZVOASJNOUKGV-SWLSCSKDSA-N 1 0 247.407 3.468 20 70 BGIDRO CCSCC[N@H+](C)CCc1ccc(F)cc1 ZINC000159560338 388021470 /nfs/dbraw/zinc/02/14/70/388021470.db2.gz ZMRIPOKTDSVTMX-UHFFFAOYSA-N 1 0 241.375 3.053 20 70 BGIDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000159564594 345469545 /nfs/dbraw/zinc/46/95/45/345469545.db2.gz QIBGQKCZYIRPLX-UXIGCNINSA-N 1 0 247.407 3.405 20 70 BGIDRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000159564905 345469547 /nfs/dbraw/zinc/46/95/47/345469547.db2.gz QIBGQKCZYIRPLX-KYOSRNDESA-N 1 0 247.407 3.405 20 70 BGIDRO CC[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000159592243 323040004 /nfs/dbraw/zinc/04/00/04/323040004.db2.gz ISXHEGADRKQYIL-UHFFFAOYSA-N 1 0 247.338 3.180 20 70 BGIDRO Cc1nc2ccccn2c1C[N@@H+](C)CC(C)(C)C ZINC000159593644 345445163 /nfs/dbraw/zinc/44/51/63/345445163.db2.gz MFKDCNRDUCFYPL-UHFFFAOYSA-N 1 0 245.370 3.121 20 70 BGIDRO C[N@H+](CCC1CCCC1)CCC(F)(F)F ZINC000159593906 323039906 /nfs/dbraw/zinc/03/99/06/323039906.db2.gz RQFBOVILHHNWAV-UHFFFAOYSA-N 1 0 223.282 3.451 20 70 BGIDRO COc1ccc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000159596432 345470591 /nfs/dbraw/zinc/47/05/91/345470591.db2.gz LPKYMYOFUXJJKI-HOCLYGCPSA-N 1 0 245.366 3.460 20 70 BGIDRO COc1cccc(CCC[N@H+](C)[C@@H](C)C2CC2)c1 ZINC000159650094 323075217 /nfs/dbraw/zinc/07/52/17/323075217.db2.gz MFWCPWZNMDFFAB-ZDUSSCGKSA-N 1 0 247.382 3.358 20 70 BGIDRO COc1cccc(CCC[N@H+](C)[C@H](C)C2CC2)c1 ZINC000159650227 323041891 /nfs/dbraw/zinc/04/18/91/323041891.db2.gz MFWCPWZNMDFFAB-CYBMUJFWSA-N 1 0 247.382 3.358 20 70 BGIDRO Cc1noc(C)c1C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159658313 134783223 /nfs/dbraw/zinc/78/32/23/134783223.db2.gz GIYLHEXKLQMXQO-JSGCOSHPSA-N 1 0 234.343 3.056 20 70 BGIDRO COC[C@@H]([NH2+]CCC(C)(C)C)c1ccc(C)o1 ZINC000159672243 323043562 /nfs/dbraw/zinc/04/35/62/323043562.db2.gz YIMNJSWUNIXIGR-GFCCVEGCSA-N 1 0 239.359 3.301 20 70 BGIDRO COC[C@H]([NH2+]CCC(C)(C)C)c1ccc(C)o1 ZINC000159672374 323075243 /nfs/dbraw/zinc/07/52/43/323075243.db2.gz YIMNJSWUNIXIGR-LBPRGKRZSA-N 1 0 239.359 3.301 20 70 BGIDRO CCCC[C@H]([NH2+]CCC(C)(C)O)C1CCC1 ZINC000159675852 388027461 /nfs/dbraw/zinc/02/74/61/388027461.db2.gz NEOPKVJYJVURTP-ZDUSSCGKSA-N 1 0 227.392 3.096 20 70 BGIDRO CCCC[C@@H]([NH2+]CCC(C)(C)O)C1CCC1 ZINC000159675953 201688481 /nfs/dbraw/zinc/68/84/81/201688481.db2.gz NEOPKVJYJVURTP-CYBMUJFWSA-N 1 0 227.392 3.096 20 70 BGIDRO COc1ccc(C[N@H+](C)C2CCC2)cc1Cl ZINC000159684311 175094810 /nfs/dbraw/zinc/09/48/10/175094810.db2.gz KXPGSUTUVOWLCO-UHFFFAOYSA-N 1 0 239.746 3.333 20 70 BGIDRO C[C@H]([NH2+]CCO)c1ccc(C2CCCCC2)cc1 ZINC000159700138 323044078 /nfs/dbraw/zinc/04/40/78/323044078.db2.gz YIRXVQMTHRHYKC-ZDUSSCGKSA-N 1 0 247.382 3.377 20 70 BGIDRO C[C@@H]([NH2+]CCO)c1ccc(C2CCCCC2)cc1 ZINC000159700253 323044137 /nfs/dbraw/zinc/04/41/37/323044137.db2.gz YIRXVQMTHRHYKC-CYBMUJFWSA-N 1 0 247.382 3.377 20 70 BGIDRO Cc1nc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)oc1C ZINC000159705118 345489327 /nfs/dbraw/zinc/48/93/27/345489327.db2.gz IUUCVSXSSSBDBM-STQMWFEESA-N 1 0 234.343 3.056 20 70 BGIDRO Cc1ncc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)s1 ZINC000159710732 134787256 /nfs/dbraw/zinc/78/72/56/134787256.db2.gz WLTVWFWYGAVZSC-AAEUAGOBSA-N 1 0 236.384 3.216 20 70 BGIDRO C[C@@H]([NH2+]CCC(C)(C)O)[C@@H](C)C1CCCCC1 ZINC000159711988 323044775 /nfs/dbraw/zinc/04/47/75/323044775.db2.gz UNEIKTOSXRFTQL-CHWSQXEVSA-N 1 0 241.419 3.342 20 70 BGIDRO C[C@@H]([NH2+]CCC(C)(C)O)[C@H](C)C1CCCCC1 ZINC000159712125 323044772 /nfs/dbraw/zinc/04/47/72/323044772.db2.gz UNEIKTOSXRFTQL-QWHCGFSZSA-N 1 0 241.419 3.342 20 70 BGIDRO C[C@H]([NH2+]CCC(C)(C)O)[C@@H](C)C1CCCCC1 ZINC000159712268 323044688 /nfs/dbraw/zinc/04/46/88/323044688.db2.gz UNEIKTOSXRFTQL-OLZOCXBDSA-N 1 0 241.419 3.342 20 70 BGIDRO C[C@@H]([C@H](C)[NH2+]CCC(C)(C)O)C1CCCCC1 ZINC000159712404 323044655 /nfs/dbraw/zinc/04/46/55/323044655.db2.gz UNEIKTOSXRFTQL-STQMWFEESA-N 1 0 241.419 3.342 20 70 BGIDRO CC(C)CCC[C@H]([NH2+]CCO)c1ccccc1 ZINC000159716233 134787200 /nfs/dbraw/zinc/78/72/00/134787200.db2.gz AJMALNYIZISHHT-HNNXBMFYSA-N 1 0 235.371 3.136 20 70 BGIDRO CC(C)CCC[C@@H]([NH2+]CCO)c1ccccc1 ZINC000159716356 535384656 /nfs/dbraw/zinc/38/46/56/535384656.db2.gz AJMALNYIZISHHT-OAHLLOKOSA-N 1 0 235.371 3.136 20 70 BGIDRO Cc1nc2ccccn2c1C[N@@H+]1CCCC1(C)C ZINC000159717446 345503521 /nfs/dbraw/zinc/50/35/21/345503521.db2.gz KERQZOPVGJLOQH-UHFFFAOYSA-N 1 0 243.354 3.017 20 70 BGIDRO Cc1nccn1CCCC[N@@H+](C)C1CCCCC1 ZINC000159725904 388028335 /nfs/dbraw/zinc/02/83/35/388028335.db2.gz ZAFISPJMXOSTRW-UHFFFAOYSA-N 1 0 249.402 3.236 20 70 BGIDRO Cc1ccc(C[N@@H+]2CCCC[C@@H]2CCO)c(C)c1 ZINC000159728518 323045175 /nfs/dbraw/zinc/04/51/75/323045175.db2.gz DXDRFTHCSYZVDW-MRXNPFEDSA-N 1 0 247.382 3.040 20 70 BGIDRO Cc1ccc(C[N@@H+]2CCCC[C@H]2CCO)c(C)c1 ZINC000159728635 323045144 /nfs/dbraw/zinc/04/51/44/323045144.db2.gz DXDRFTHCSYZVDW-INIZCTEOSA-N 1 0 247.382 3.040 20 70 BGIDRO CCCC[N@H+](CCc1nccs1)C(C)C ZINC000159737516 323045842 /nfs/dbraw/zinc/04/58/42/323045842.db2.gz BNAGCFWTSMSJCU-UHFFFAOYSA-N 1 0 226.389 3.196 20 70 BGIDRO CC[C@@H](c1ccccc1)[N@H+](C)CCOCC1CC1 ZINC000159756400 323047121 /nfs/dbraw/zinc/04/71/21/323047121.db2.gz ZWZHBOJXBVQUEH-INIZCTEOSA-N 1 0 247.382 3.496 20 70 BGIDRO CC[C@H](c1ccccc1)[N@H+](C)CCOCC1CC1 ZINC000159756530 323047151 /nfs/dbraw/zinc/04/71/51/323047151.db2.gz ZWZHBOJXBVQUEH-MRXNPFEDSA-N 1 0 247.382 3.496 20 70 BGIDRO CCSCC[N@H+](C)[C@@H](C)c1ccco1 ZINC000159758707 384355478 /nfs/dbraw/zinc/35/54/78/384355478.db2.gz SMTISPPSZMVXLY-JTQLQIEISA-N 1 0 213.346 3.026 20 70 BGIDRO CCSCC[N@H+](C)[C@H](C)c1ccco1 ZINC000159758823 384355551 /nfs/dbraw/zinc/35/55/51/384355551.db2.gz SMTISPPSZMVXLY-SNVBAGLBSA-N 1 0 213.346 3.026 20 70 BGIDRO C[N@H+](CCCC1CCCC1)C[C@@H]1CCC[C@@H]1O ZINC000159762788 323047350 /nfs/dbraw/zinc/04/73/50/323047350.db2.gz NXTCMKXNCRXSIK-GJZGRUSLSA-N 1 0 239.403 3.050 20 70 BGIDRO C[N@H+](CCCC1CCCC1)C[C@H]1CCC[C@@H]1O ZINC000159762948 323047408 /nfs/dbraw/zinc/04/74/08/323047408.db2.gz NXTCMKXNCRXSIK-CABCVRRESA-N 1 0 239.403 3.050 20 70 BGIDRO CC[C@@H](C)C[N@H+](CCc1nccs1)C(C)C ZINC000159766125 388029339 /nfs/dbraw/zinc/02/93/39/388029339.db2.gz LBYCPBOGMBIGOP-GFCCVEGCSA-N 1 0 240.416 3.442 20 70 BGIDRO CC[C@H](C)C[N@H+](CCc1nccs1)C(C)C ZINC000159766237 201689309 /nfs/dbraw/zinc/68/93/09/201689309.db2.gz LBYCPBOGMBIGOP-LBPRGKRZSA-N 1 0 240.416 3.442 20 70 BGIDRO CC(C)[N@H+](Cc1cncnc1)C1CCCCC1 ZINC000159767091 541400479 /nfs/dbraw/zinc/40/04/79/541400479.db2.gz BNLHMDGVIGEFBR-UHFFFAOYSA-N 1 0 233.359 3.020 20 70 BGIDRO Cc1nn(C)cc1C[N@@H+](C(C)C)C1CCCCC1 ZINC000159767221 323047556 /nfs/dbraw/zinc/04/75/56/323047556.db2.gz CYFLHVBFYULDJO-UHFFFAOYSA-N 1 0 249.402 3.272 20 70 BGIDRO CCn1cc(C[N@H+](C(C)C)C2CCCCC2)cn1 ZINC000159767976 323047366 /nfs/dbraw/zinc/04/73/66/323047366.db2.gz XNNBJTVRTNTAQX-UHFFFAOYSA-N 1 0 249.402 3.446 20 70 BGIDRO Cc1cccc([C@H](C)[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000159769464 346263126 /nfs/dbraw/zinc/26/31/26/346263126.db2.gz JUHBWLUVYRPURH-BPUTZDHNSA-N 1 0 247.382 3.149 20 70 BGIDRO CCn1nccc1C[N@H+](C(C)C)C1CCCCC1 ZINC000159769589 346263040 /nfs/dbraw/zinc/26/30/40/346263040.db2.gz JFJJXWRDYSQGPC-UHFFFAOYSA-N 1 0 249.402 3.446 20 70 BGIDRO Cc1n[nH]cc1C[N@@H+](C(C)C)C1CCCCC1 ZINC000159773139 323047460 /nfs/dbraw/zinc/04/74/60/323047460.db2.gz YYUIFLXTMIDKEL-UHFFFAOYSA-N 1 0 235.375 3.261 20 70 BGIDRO C[C@H]([NH2+]CCC(C)(C)O)c1cc2ccccc2o1 ZINC000159773759 388029376 /nfs/dbraw/zinc/02/93/76/388029376.db2.gz NLDDUBLMZVMQOF-NSHDSACASA-N 1 0 247.338 3.244 20 70 BGIDRO C[C@@H]([NH2+]CCC(C)(C)O)c1cc2ccccc2o1 ZINC000159773907 388029565 /nfs/dbraw/zinc/02/95/65/388029565.db2.gz NLDDUBLMZVMQOF-LLVKDONJSA-N 1 0 247.338 3.244 20 70 BGIDRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cnc2ccccn12 ZINC000159774347 345520854 /nfs/dbraw/zinc/52/08/54/345520854.db2.gz IYXAPKSNFVGFCR-BETUJISGSA-N 1 0 243.354 3.097 20 70 BGIDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1cnc2ccccn12 ZINC000159774410 345520226 /nfs/dbraw/zinc/52/02/26/345520226.db2.gz IYXAPKSNFVGFCR-STQMWFEESA-N 1 0 243.354 3.097 20 70 BGIDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cnc2ccccn12 ZINC000159774534 345520401 /nfs/dbraw/zinc/52/04/01/345520401.db2.gz IYXAPKSNFVGFCR-CHWSQXEVSA-N 1 0 243.354 3.097 20 70 BGIDRO CCC[N@H+](C)Cc1ncc(-c2ccccc2F)o1 ZINC000159778593 345527981 /nfs/dbraw/zinc/52/79/81/345527981.db2.gz OIHXLCYPICJIBN-UHFFFAOYSA-N 1 0 248.301 3.323 20 70 BGIDRO CC(C)=CC[N@@H+](CCc1nccs1)C(C)C ZINC000159789437 538879178 /nfs/dbraw/zinc/87/91/78/538879178.db2.gz UMIBQSXKTIZVBY-UHFFFAOYSA-N 1 0 238.400 3.362 20 70 BGIDRO CC[C@@H](C)[NH2+]CCCc1cccc(F)c1 ZINC000159789570 388031114 /nfs/dbraw/zinc/03/11/14/388031114.db2.gz DPMBRZMJIJUBLK-LLVKDONJSA-N 1 0 209.308 3.146 20 70 BGIDRO CC[C@H](C)[NH2+]CCCc1cccc(F)c1 ZINC000159789706 388030756 /nfs/dbraw/zinc/03/07/56/388030756.db2.gz DPMBRZMJIJUBLK-NSHDSACASA-N 1 0 209.308 3.146 20 70 BGIDRO CC[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)CCO1 ZINC000159802346 487550532 /nfs/dbraw/zinc/55/05/32/487550532.db2.gz AKPYIYDQCMXAKN-YUELXQCFSA-N 1 0 233.355 3.295 20 70 BGIDRO CC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)CCO1 ZINC000159802590 488087397 /nfs/dbraw/zinc/08/73/97/488087397.db2.gz AKPYIYDQCMXAKN-SNPRPXQTSA-N 1 0 233.355 3.295 20 70 BGIDRO CCCC[N@H+](CC)Cc1cc(O)cc(F)c1 ZINC000159805779 345549667 /nfs/dbraw/zinc/54/96/67/345549667.db2.gz TURHQZAJCYKAFY-UHFFFAOYSA-N 1 0 225.307 3.153 20 70 BGIDRO CC(C)CC[N@H+](CCc1nccs1)C(C)C ZINC000159814066 323049123 /nfs/dbraw/zinc/04/91/23/323049123.db2.gz QRFSAUMVEAQHHS-UHFFFAOYSA-N 1 0 240.416 3.442 20 70 BGIDRO CCC[NH+](CCC)Cc1cc(O)cc(F)c1 ZINC000159815046 345555504 /nfs/dbraw/zinc/55/55/04/345555504.db2.gz GDDLGECVMVATCO-UHFFFAOYSA-N 1 0 225.307 3.153 20 70 BGIDRO CC[C@@H](C)C[N@H+](C)Cc1cc(O)cc(F)c1 ZINC000159818323 345551478 /nfs/dbraw/zinc/55/14/78/345551478.db2.gz XNEMRHXNNQSHAF-SNVBAGLBSA-N 1 0 225.307 3.009 20 70 BGIDRO CC[C@H](C)C[N@H+](C)Cc1cc(O)cc(F)c1 ZINC000159818452 345551207 /nfs/dbraw/zinc/55/12/07/345551207.db2.gz XNEMRHXNNQSHAF-JTQLQIEISA-N 1 0 225.307 3.009 20 70 BGIDRO CC(C)[C@@H](C)[N@H+](C)Cc1cc(O)cc(F)c1 ZINC000159820103 345552377 /nfs/dbraw/zinc/55/23/77/345552377.db2.gz JEEKOJCWQVEOQS-SNVBAGLBSA-N 1 0 225.307 3.008 20 70 BGIDRO CC(C)[C@H](C)[N@H+](C)Cc1cc(O)cc(F)c1 ZINC000159820238 345552281 /nfs/dbraw/zinc/55/22/81/345552281.db2.gz JEEKOJCWQVEOQS-JTQLQIEISA-N 1 0 225.307 3.008 20 70 BGIDRO CCC[C@@H](C)[N@H+](C)Cc1cc(O)cc(F)c1 ZINC000159820516 345551873 /nfs/dbraw/zinc/55/18/73/345551873.db2.gz SDKBWWCSSKAHCL-SNVBAGLBSA-N 1 0 225.307 3.152 20 70 BGIDRO CCC[C@H](C)[N@H+](C)Cc1cc(O)cc(F)c1 ZINC000159820641 345552155 /nfs/dbraw/zinc/55/21/55/345552155.db2.gz SDKBWWCSSKAHCL-JTQLQIEISA-N 1 0 225.307 3.152 20 70 BGIDRO CCOCCC[N@@H+]1CCC[C@@H]1CC(C)(C)C ZINC000159830122 345557600 /nfs/dbraw/zinc/55/76/00/345557600.db2.gz HQHYZOHHOYVNML-CYBMUJFWSA-N 1 0 227.392 3.314 20 70 BGIDRO CCOCCC[N@@H+]1CCC[C@H]1CC(C)(C)C ZINC000159830271 345557518 /nfs/dbraw/zinc/55/75/18/345557518.db2.gz HQHYZOHHOYVNML-ZDUSSCGKSA-N 1 0 227.392 3.314 20 70 BGIDRO C[N@H+](Cc1cc(O)cc(F)c1)CC(C)(C)C ZINC000159831025 345557751 /nfs/dbraw/zinc/55/77/51/345557751.db2.gz NVGPUHONIZLYDI-UHFFFAOYSA-N 1 0 225.307 3.009 20 70 BGIDRO CCC(C)(C)[N@H+](C)Cc1cc(O)cc(F)c1 ZINC000159843501 345562094 /nfs/dbraw/zinc/56/20/94/345562094.db2.gz UOKIZWLZSYTGQO-UHFFFAOYSA-N 1 0 225.307 3.152 20 70 BGIDRO CC(C)=CC[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159859919 134792613 /nfs/dbraw/zinc/79/26/13/134792613.db2.gz MDYBIBIAMMVUKF-HNNXBMFYSA-N 1 0 230.355 3.493 20 70 BGIDRO COc1ccc(C[N@H+](C)Cc2occc2C)cc1 ZINC000159865889 188334696 /nfs/dbraw/zinc/33/46/96/188334696.db2.gz XNTCMIOSLPOWDE-UHFFFAOYSA-N 1 0 245.322 3.229 20 70 BGIDRO CCCC(=O)Nc1cccc(C[NH2+][C@@H](C)CC)c1 ZINC000159914635 323053514 /nfs/dbraw/zinc/05/35/14/323053514.db2.gz CYCZCDVZYNOURG-LBPRGKRZSA-N 1 0 248.370 3.313 20 70 BGIDRO CCCC(=O)Nc1cccc(C[NH2+][C@H](C)CC)c1 ZINC000159914771 323053631 /nfs/dbraw/zinc/05/36/31/323053631.db2.gz CYCZCDVZYNOURG-GFCCVEGCSA-N 1 0 248.370 3.313 20 70 BGIDRO CCSCC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159971541 345482236 /nfs/dbraw/zinc/48/22/36/345482236.db2.gz FWRLFYBWLOCURG-RYUDHWBXSA-N 1 0 213.390 3.004 20 70 BGIDRO CCn1nccc1C[NH2+]CCCC1CCCCC1 ZINC000159980026 538881001 /nfs/dbraw/zinc/88/10/01/538881001.db2.gz JCHDKAILDVCJEQ-UHFFFAOYSA-N 1 0 249.402 3.353 20 70 BGIDRO CC[N@H+](CCCc1cccc(OC)c1)C(C)C ZINC000159980217 386029618 /nfs/dbraw/zinc/02/96/18/386029618.db2.gz VQMQFLVUAZARES-UHFFFAOYSA-N 1 0 235.371 3.358 20 70 BGIDRO Cc1cccc(C[NH2+]C2(C)CCC2)c1C ZINC000159992682 388042634 /nfs/dbraw/zinc/04/26/34/388042634.db2.gz JSJCPTIYUBRFPM-UHFFFAOYSA-N 1 0 203.329 3.336 20 70 BGIDRO CCc1ccc(C[NH2+]C2(C)CCC2)s1 ZINC000159998300 323057268 /nfs/dbraw/zinc/05/72/68/323057268.db2.gz REDMMOYRUXCOCC-UHFFFAOYSA-N 1 0 209.358 3.343 20 70 BGIDRO CSc1ccc(C[NH2+]C2(C)CCC2)cc1 ZINC000159999617 388041769 /nfs/dbraw/zinc/04/17/69/388041769.db2.gz OTLSXCYBAVSUGL-UHFFFAOYSA-N 1 0 221.369 3.441 20 70 BGIDRO Cc1cc(C)cc(C[NH2+]C2(C)CCC2)c1 ZINC000160000659 538456017 /nfs/dbraw/zinc/45/60/17/538456017.db2.gz RSIXQRMCCASPES-UHFFFAOYSA-N 1 0 203.329 3.336 20 70 BGIDRO CC1([NH2+]C/C=C/c2ccccc2)CCC1 ZINC000160000931 538880972 /nfs/dbraw/zinc/88/09/72/538880972.db2.gz DVMIJTQVHCFXDG-WEVVVXLNSA-N 1 0 201.313 3.232 20 70 BGIDRO Cc1ccc(C(=O)CC[N@H+]2CC[C@H](C)[C@@H]2C)cc1 ZINC000160001108 361297152 /nfs/dbraw/zinc/29/71/52/361297152.db2.gz DRVDMIXIRSQHMW-KBPBESRZSA-N 1 0 245.366 3.298 20 70 BGIDRO Cc1ccc(C(=O)CC[N@H+]2CC[C@@H](C)[C@@H]2C)cc1 ZINC000160001248 361297642 /nfs/dbraw/zinc/29/76/42/361297642.db2.gz DRVDMIXIRSQHMW-KGLIPLIRSA-N 1 0 245.366 3.298 20 70 BGIDRO Cc1c(C[NH2+]CCCC2CCCCC2)cnn1C ZINC000160002324 345476974 /nfs/dbraw/zinc/47/69/74/345476974.db2.gz FSBSHKZNLVUAQD-UHFFFAOYSA-N 1 0 249.402 3.179 20 70 BGIDRO Cc1ccc(C[NH2+]C2(C)CCC2)cc1F ZINC000160002533 323057575 /nfs/dbraw/zinc/05/75/75/323057575.db2.gz AYOJNDLAODDIAE-UHFFFAOYSA-N 1 0 207.292 3.166 20 70 BGIDRO CCc1ccc(C[NH2+]C2(C)CCC2)cc1 ZINC000160003655 323057565 /nfs/dbraw/zinc/05/75/65/323057565.db2.gz CFHKIKZNBDNVAL-UHFFFAOYSA-N 1 0 203.329 3.281 20 70 BGIDRO Cc1ccc(C[NH2+]C2(C)CCC2)c(C)c1 ZINC000160003817 324138055 /nfs/dbraw/zinc/13/80/55/324138055.db2.gz KHYSVVNMHQQUEX-UHFFFAOYSA-N 1 0 203.329 3.336 20 70 BGIDRO Cc1ccc(C[NH2+]C2(C)CCC2)cc1C ZINC000160009411 538881238 /nfs/dbraw/zinc/88/12/38/538881238.db2.gz FCLGGJRITKUHMU-UHFFFAOYSA-N 1 0 203.329 3.336 20 70 BGIDRO Cc1cc(C[NH2+]C2(C)CCC2)ccc1F ZINC000160011843 388042580 /nfs/dbraw/zinc/04/25/80/388042580.db2.gz FGOBEEPPGOQVAT-UHFFFAOYSA-N 1 0 207.292 3.166 20 70 BGIDRO Cc1ccc(C)c(C[NH2+]C2(C)CCC2)c1 ZINC000160013574 323057696 /nfs/dbraw/zinc/05/76/96/323057696.db2.gz ADJVWEPOKDHVSW-UHFFFAOYSA-N 1 0 203.329 3.336 20 70 BGIDRO CC(C)Oc1ccc(C[NH2+][C@H](C)C(C)C)cn1 ZINC000160049024 384598973 /nfs/dbraw/zinc/59/89/73/384598973.db2.gz JSZDSQLXNFDJOM-GFCCVEGCSA-N 1 0 236.359 3.003 20 70 BGIDRO CC(C)Oc1ccc(C[NH2+][C@@H](C)C(C)C)cn1 ZINC000160049152 134798163 /nfs/dbraw/zinc/79/81/63/134798163.db2.gz JSZDSQLXNFDJOM-LBPRGKRZSA-N 1 0 236.359 3.003 20 70 BGIDRO Cc1ccc(C[N@H+](C2CC2)C2CCCC2)nc1 ZINC000160084227 397767557 /nfs/dbraw/zinc/76/75/57/397767557.db2.gz KDYQRVPREMVMAQ-UHFFFAOYSA-N 1 0 230.355 3.297 20 70 BGIDRO CC(C)Oc1ccc(C[NH2+][C@@H](C)C2(C)CC2)cn1 ZINC000160091152 345795505 /nfs/dbraw/zinc/79/55/05/345795505.db2.gz JHFYHSKHHITUJQ-LBPRGKRZSA-N 1 0 248.370 3.147 20 70 BGIDRO CC(C)Oc1ccc(C[NH2+][C@H](C)C2(C)CC2)cn1 ZINC000160091295 345795480 /nfs/dbraw/zinc/79/54/80/345795480.db2.gz JHFYHSKHHITUJQ-GFCCVEGCSA-N 1 0 248.370 3.147 20 70 BGIDRO CC[C@H]([NH2+]Cc1ccc(OC(C)C)nc1)C1CC1 ZINC000160100506 384384325 /nfs/dbraw/zinc/38/43/25/384384325.db2.gz IUNCNQXVOIYTAY-AWEZNQCLSA-N 1 0 248.370 3.147 20 70 BGIDRO CC[C@@H]([NH2+]Cc1ccc(OC(C)C)nc1)C1CC1 ZINC000160100625 346440664 /nfs/dbraw/zinc/44/06/64/346440664.db2.gz IUNCNQXVOIYTAY-CQSZACIVSA-N 1 0 248.370 3.147 20 70 BGIDRO CCOCCC[N@H+](C(C)C)C1CCCCC1 ZINC000160120995 323060951 /nfs/dbraw/zinc/06/09/51/323060951.db2.gz UEJVGRWNRHLIBQ-UHFFFAOYSA-N 1 0 227.392 3.456 20 70 BGIDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000160140015 384636219 /nfs/dbraw/zinc/63/62/19/384636219.db2.gz DYWRVSROOFDLAJ-PSASIEDQSA-N 1 0 227.710 3.225 20 70 BGIDRO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000160140131 388048236 /nfs/dbraw/zinc/04/82/36/388048236.db2.gz DYWRVSROOFDLAJ-WCBMZHEXSA-N 1 0 227.710 3.225 20 70 BGIDRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000160140260 388048602 /nfs/dbraw/zinc/04/86/02/388048602.db2.gz DYWRVSROOFDLAJ-SCZZXKLOSA-N 1 0 227.710 3.225 20 70 BGIDRO C[C@H]1C[C@H]1C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000160140390 388048508 /nfs/dbraw/zinc/04/85/08/388048508.db2.gz DYWRVSROOFDLAJ-WPRPVWTQSA-N 1 0 227.710 3.225 20 70 BGIDRO CCc1ccc([C@@H](C)[NH2+][C@@H](C)C2CC2)o1 ZINC000160146687 171831483 /nfs/dbraw/zinc/83/14/83/171831483.db2.gz GDILJZTXFQWROS-VHSXEESVSA-N 1 0 207.317 3.291 20 70 BGIDRO CCc1ccc([C@H](C)[NH2+][C@@H](C)C2CC2)o1 ZINC000160146818 388047420 /nfs/dbraw/zinc/04/74/20/388047420.db2.gz GDILJZTXFQWROS-UWVGGRQHSA-N 1 0 207.317 3.291 20 70 BGIDRO CCc1ccc([C@@H](C)[NH2+][C@H](C)C2CC2)o1 ZINC000160146952 388047547 /nfs/dbraw/zinc/04/75/47/388047547.db2.gz GDILJZTXFQWROS-NXEZZACHSA-N 1 0 207.317 3.291 20 70 BGIDRO CCc1ccc([C@H](C)[NH2+][C@H](C)C2CC2)o1 ZINC000160147074 388047287 /nfs/dbraw/zinc/04/72/87/388047287.db2.gz GDILJZTXFQWROS-ZJUUUORDSA-N 1 0 207.317 3.291 20 70 BGIDRO Cc1ccc(C(=O)CC[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000160147773 384643140 /nfs/dbraw/zinc/64/31/40/384643140.db2.gz ZPWRJJCUVRSSLL-OKILXGFUSA-N 1 0 245.366 3.441 20 70 BGIDRO Cc1ccc(C(=O)CC[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC000160147904 345806353 /nfs/dbraw/zinc/80/63/53/345806353.db2.gz ZPWRJJCUVRSSLL-KBPBESRZSA-N 1 0 245.366 3.441 20 70 BGIDRO Cc1ccc(C(=O)CC[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC000160148029 384643223 /nfs/dbraw/zinc/64/32/23/384643223.db2.gz ZPWRJJCUVRSSLL-ZIAGYGMSSA-N 1 0 245.366 3.441 20 70 BGIDRO CSC[C@H](C)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000160151862 388048658 /nfs/dbraw/zinc/04/86/58/388048658.db2.gz WMENYWHHBZGJFU-QMMMGPOBSA-N 1 0 247.766 3.320 20 70 BGIDRO CSC[C@@H](C)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000160151987 388048482 /nfs/dbraw/zinc/04/84/82/388048482.db2.gz WMENYWHHBZGJFU-MRVPVSSYSA-N 1 0 247.766 3.320 20 70 BGIDRO CC1CC([NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC000160161941 388050484 /nfs/dbraw/zinc/05/04/84/388050484.db2.gz QORUHABLCBWTBJ-UHFFFAOYSA-N 1 0 227.710 3.367 20 70 BGIDRO Fc1ccc(C[NH2+]C2CC=CC2)cc1Cl ZINC000160166844 538882274 /nfs/dbraw/zinc/88/22/74/538882274.db2.gz MRKMZTYTJKLAFD-UHFFFAOYSA-N 1 0 225.694 3.287 20 70 BGIDRO C[C@H]([NH2+]Cc1ccc(Cl)o1)C1CCC1 ZINC000160183072 538883647 /nfs/dbraw/zinc/88/36/47/538883647.db2.gz HPJSCGOTILEKRT-QMMMGPOBSA-N 1 0 213.708 3.211 20 70 BGIDRO C[C@@H]([NH2+]Cc1ccc(Cl)o1)C1CCC1 ZINC000160183198 538883618 /nfs/dbraw/zinc/88/36/18/538883618.db2.gz HPJSCGOTILEKRT-MRVPVSSYSA-N 1 0 213.708 3.211 20 70 BGIDRO C[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccco1 ZINC000160219901 388053282 /nfs/dbraw/zinc/05/32/82/388053282.db2.gz MKLSAPOCTJHENN-YUMQZZPRSA-N 1 0 221.222 3.271 20 70 BGIDRO C[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccco1 ZINC000160220023 388053144 /nfs/dbraw/zinc/05/31/44/388053144.db2.gz MKLSAPOCTJHENN-SFYZADRCSA-N 1 0 221.222 3.271 20 70 BGIDRO C[C@@H]([NH2+][C@@H](C)CC(F)(F)F)c1ccco1 ZINC000160220121 388052632 /nfs/dbraw/zinc/05/26/32/388052632.db2.gz MKLSAPOCTJHENN-JGVFFNPUSA-N 1 0 221.222 3.271 20 70 BGIDRO C[C@H](CC(F)(F)F)[NH2+][C@H](C)c1ccco1 ZINC000160220223 388053320 /nfs/dbraw/zinc/05/33/20/388053320.db2.gz MKLSAPOCTJHENN-HTQZYQBOSA-N 1 0 221.222 3.271 20 70 BGIDRO c1cnn([C@@H]2CCC[N@@H+](CCC3CCCC3)C2)c1 ZINC000160251897 384672781 /nfs/dbraw/zinc/67/27/81/384672781.db2.gz STNOBKBSOKFJRT-OAHLLOKOSA-N 1 0 247.386 3.100 20 70 BGIDRO c1cnn([C@H]2CCC[N@@H+](CCC3CCCC3)C2)c1 ZINC000160252027 384673294 /nfs/dbraw/zinc/67/32/94/384673294.db2.gz STNOBKBSOKFJRT-HNNXBMFYSA-N 1 0 247.386 3.100 20 70 BGIDRO CC(C)[N@H+](CCOCC1CC1)C1CCCC1 ZINC000160322681 386359063 /nfs/dbraw/zinc/35/90/63/386359063.db2.gz STGJFUUULTYYOO-UHFFFAOYSA-N 1 0 225.376 3.066 20 70 BGIDRO CCSCC[N@H+](C(C)C)C1CCCC1 ZINC000160322847 388058409 /nfs/dbraw/zinc/05/84/09/388058409.db2.gz SGBPZHNEUQCNJZ-UHFFFAOYSA-N 1 0 215.406 3.393 20 70 BGIDRO CC[C@H]([NH2+]Cc1cn2c(cccc2C)n1)C(C)C ZINC000160323185 136218534 /nfs/dbraw/zinc/21/85/34/136218534.db2.gz HFINGZWFFYFMCU-AWEZNQCLSA-N 1 0 245.370 3.167 20 70 BGIDRO CC[C@@H]([NH2+]Cc1cn2c(cccc2C)n1)C(C)C ZINC000160323276 136218590 /nfs/dbraw/zinc/21/85/90/136218590.db2.gz HFINGZWFFYFMCU-CQSZACIVSA-N 1 0 245.370 3.167 20 70 BGIDRO CCOCCC[N@H+](C(C)C)C1CCCC1 ZINC000160323782 201710791 /nfs/dbraw/zinc/71/07/91/201710791.db2.gz BUGLSAKAUZWTGG-UHFFFAOYSA-N 1 0 213.365 3.066 20 70 BGIDRO CC[C@@H](C)[NH2+]C[C@@H](CC)Oc1ccccc1F ZINC000160324544 323064815 /nfs/dbraw/zinc/06/48/15/323064815.db2.gz FYCKDBKWWMHUBZ-VXGBXAGGSA-N 1 0 239.334 3.371 20 70 BGIDRO CC[C@H](C[NH2+][C@@H](C)CC)Oc1ccccc1F ZINC000160324634 323064765 /nfs/dbraw/zinc/06/47/65/323064765.db2.gz FYCKDBKWWMHUBZ-NWDGAFQWSA-N 1 0 239.334 3.371 20 70 BGIDRO CC[C@@H](C)[NH2+]C[C@H](CC)Oc1ccccc1F ZINC000160324733 323064745 /nfs/dbraw/zinc/06/47/45/323064745.db2.gz FYCKDBKWWMHUBZ-NEPJUHHUSA-N 1 0 239.334 3.371 20 70 BGIDRO CC[C@H](C)[NH2+]C[C@H](CC)Oc1ccccc1F ZINC000160324834 323064730 /nfs/dbraw/zinc/06/47/30/323064730.db2.gz FYCKDBKWWMHUBZ-RYUDHWBXSA-N 1 0 239.334 3.371 20 70 BGIDRO CC[C@@H](C)[N@H+](C)CCCc1cccc(OC)c1 ZINC000160340655 323065066 /nfs/dbraw/zinc/06/50/66/323065066.db2.gz UKBPLJBFJBOHOB-CYBMUJFWSA-N 1 0 235.371 3.358 20 70 BGIDRO CC[C@H](C)[N@H+](C)CCCc1cccc(OC)c1 ZINC000160340779 323064993 /nfs/dbraw/zinc/06/49/93/323064993.db2.gz UKBPLJBFJBOHOB-ZDUSSCGKSA-N 1 0 235.371 3.358 20 70 BGIDRO C[C@@H](C[N@H+](C)CCOCC1CC1)c1ccccc1 ZINC000160383338 388061860 /nfs/dbraw/zinc/06/18/60/388061860.db2.gz FFPDPDMPGXZCKP-AWEZNQCLSA-N 1 0 247.382 3.149 20 70 BGIDRO C[C@H](C[N@H+](C)CCOCC1CC1)c1ccccc1 ZINC000160383481 388060641 /nfs/dbraw/zinc/06/06/41/388060641.db2.gz FFPDPDMPGXZCKP-CQSZACIVSA-N 1 0 247.382 3.149 20 70 BGIDRO CCSCC[N@H+](C)Cc1ccc(C)s1 ZINC000160433952 388067882 /nfs/dbraw/zinc/06/78/82/388067882.db2.gz KOGFBICKALDBBC-UHFFFAOYSA-N 1 0 229.414 3.241 20 70 BGIDRO CC[N@H+](Cc1cnc2ccccn12)[C@@H](C)C(C)C ZINC000160434942 487857554 /nfs/dbraw/zinc/85/75/54/487857554.db2.gz JINRGFZRHNPAHL-ZDUSSCGKSA-N 1 0 245.370 3.201 20 70 BGIDRO CC[N@H+](Cc1cnc2ccccn12)[C@H](C)C(C)C ZINC000160435043 487857700 /nfs/dbraw/zinc/85/77/00/487857700.db2.gz JINRGFZRHNPAHL-CYBMUJFWSA-N 1 0 245.370 3.201 20 70 BGIDRO CCSCC[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000160455046 388067675 /nfs/dbraw/zinc/06/76/75/388067675.db2.gz KPNJZRKQDJYCCC-GFCCVEGCSA-N 1 0 213.390 3.004 20 70 BGIDRO CCSCC[N@@H+]1CCC[C@H]1C1CCC1 ZINC000160455171 388067654 /nfs/dbraw/zinc/06/76/54/388067654.db2.gz KPNJZRKQDJYCCC-LBPRGKRZSA-N 1 0 213.390 3.004 20 70 BGIDRO Cc1ccoc1C[N@@H+](C)Cc1cccc(F)c1 ZINC000160467148 323067837 /nfs/dbraw/zinc/06/78/37/323067837.db2.gz JGVDRUCGJHLGSX-UHFFFAOYSA-N 1 0 233.286 3.359 20 70 BGIDRO Cc1ncccc1C[N@H+](C)Cc1cccc(F)c1 ZINC000160470427 323068088 /nfs/dbraw/zinc/06/80/88/323068088.db2.gz BKFBZGHFYSNIJX-UHFFFAOYSA-N 1 0 244.313 3.161 20 70 BGIDRO CCC[N@H+](Cc1ccn(C)c1)Cc1ccccc1 ZINC000160476879 323068458 /nfs/dbraw/zinc/06/84/58/323068458.db2.gz ZBPNTFSBRRFWEJ-UHFFFAOYSA-N 1 0 242.366 3.437 20 70 BGIDRO CCC[N@@H+](Cc1ccccc1)CC1=CCCOC1 ZINC000160480208 169134452 /nfs/dbraw/zinc/13/44/52/169134452.db2.gz DLPNECUQBVHLRK-UHFFFAOYSA-N 1 0 245.366 3.245 20 70 BGIDRO CCC[N@H+](Cc1c[nH]nc1C)Cc1ccccc1 ZINC000160482186 169178057 /nfs/dbraw/zinc/17/80/57/169178057.db2.gz ABUYDIINAJUXGT-UHFFFAOYSA-N 1 0 243.354 3.130 20 70 BGIDRO CCc1nnc([C@@H](C)[N@@H+](CC)C[C@@H](C)CC)o1 ZINC000160515543 323069892 /nfs/dbraw/zinc/06/98/92/323069892.db2.gz AQXHFTSMHSRHGL-WDEREUQCSA-N 1 0 239.363 3.061 20 70 BGIDRO CCc1nnc([C@H](C)[N@@H+](CC)C[C@@H](C)CC)o1 ZINC000160515682 323069879 /nfs/dbraw/zinc/06/98/79/323069879.db2.gz AQXHFTSMHSRHGL-QWRGUYRKSA-N 1 0 239.363 3.061 20 70 BGIDRO CCc1noc([C@@H](C)[N@@H+](CC)C[C@@H](C)CC)n1 ZINC000160523581 323069980 /nfs/dbraw/zinc/06/99/80/323069980.db2.gz SIBSOQFPPIZSHJ-WDEREUQCSA-N 1 0 239.363 3.061 20 70 BGIDRO CCc1noc([C@H](C)[N@@H+](CC)C[C@@H](C)CC)n1 ZINC000160523698 323070040 /nfs/dbraw/zinc/07/00/40/323070040.db2.gz SIBSOQFPPIZSHJ-QWRGUYRKSA-N 1 0 239.363 3.061 20 70 BGIDRO Cc1ccccc1C[N@@H+](C)Cc1cccnc1C ZINC000160527783 323069998 /nfs/dbraw/zinc/06/99/98/323069998.db2.gz BOYMYZFQOPWQKY-UHFFFAOYSA-N 1 0 240.350 3.330 20 70 BGIDRO CCSCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000160542760 388073787 /nfs/dbraw/zinc/07/37/87/388073787.db2.gz ILANRUJRBKZNJP-QWRGUYRKSA-N 1 0 201.379 3.002 20 70 BGIDRO CCSCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000160542896 201720749 /nfs/dbraw/zinc/72/07/49/201720749.db2.gz ILANRUJRBKZNJP-GHMZBOCLSA-N 1 0 201.379 3.002 20 70 BGIDRO CSC(C)(C)CNc1nc2ccccc2[nH]1 ZINC000160555121 384420330 /nfs/dbraw/zinc/42/03/30/384420330.db2.gz XMRLCTFZPUVLJN-UHFFFAOYSA-N 1 0 235.356 3.116 20 70 BGIDRO COc1cccc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000160555884 345495657 /nfs/dbraw/zinc/49/56/57/345495657.db2.gz HSLHFQKDVHXAMW-HOCLYGCPSA-N 1 0 245.366 3.460 20 70 BGIDRO CCCCOCC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000160559186 345495410 /nfs/dbraw/zinc/49/54/10/345495410.db2.gz QKNMVOCLVUWYEI-KBPBESRZSA-N 1 0 225.376 3.068 20 70 BGIDRO CC(C)[N@H+](Cc1cnc2ccccn12)C1CCC1 ZINC000160566783 349225046 /nfs/dbraw/zinc/22/50/46/349225046.db2.gz VGHJSWQOSYQMRQ-UHFFFAOYSA-N 1 0 243.354 3.097 20 70 BGIDRO CCCCCC[NH2+]Cc1ccncc1C ZINC000160598292 384273756 /nfs/dbraw/zinc/27/37/56/384273756.db2.gz BISFESCTBLNLRX-UHFFFAOYSA-N 1 0 206.333 3.060 20 70 BGIDRO CC(C)[C@@H](CCc1ccccc1)[NH2+]CC(C)(C)O ZINC000160639876 167393734 /nfs/dbraw/zinc/39/37/34/167393734.db2.gz NNFWSLIVRVQMPD-OAHLLOKOSA-N 1 0 249.398 3.004 20 70 BGIDRO CC(C)[C@H](CCc1ccccc1)[NH2+]CC(C)(C)O ZINC000160640034 384424720 /nfs/dbraw/zinc/42/47/20/384424720.db2.gz NNFWSLIVRVQMPD-HNNXBMFYSA-N 1 0 249.398 3.004 20 70 BGIDRO Cc1ccc(C[N@@H+](C)Cc2cccnc2C)cc1 ZINC000160640479 323074163 /nfs/dbraw/zinc/07/41/63/323074163.db2.gz QVIDCVQHMZSEJQ-UHFFFAOYSA-N 1 0 240.350 3.330 20 70 BGIDRO CC[C@H]([NH2+]CC(C)(C)O)c1ccc(Cl)s1 ZINC000160647401 388080719 /nfs/dbraw/zinc/08/07/19/388080719.db2.gz UKXBBZCZNCDPBW-QMMMGPOBSA-N 1 0 247.791 3.213 20 70 BGIDRO CC[C@@H]([NH2+]CC(C)(C)O)c1ccc(Cl)s1 ZINC000160647492 388080926 /nfs/dbraw/zinc/08/09/26/388080926.db2.gz UKXBBZCZNCDPBW-MRVPVSSYSA-N 1 0 247.791 3.213 20 70 BGIDRO CC[C@H]([NH2+]C(C)C)c1ccc(F)cc1F ZINC000160649405 388081069 /nfs/dbraw/zinc/08/10/69/388081069.db2.gz WQKPEEYWCZMCLD-LBPRGKRZSA-N 1 0 213.271 3.414 20 70 BGIDRO CC[C@@H]([NH2+]C(C)C)c1ccc(F)cc1F ZINC000160649538 388080687 /nfs/dbraw/zinc/08/06/87/388080687.db2.gz WQKPEEYWCZMCLD-GFCCVEGCSA-N 1 0 213.271 3.414 20 70 BGIDRO CC[C@@H]([NH2+][C@@H](C)COC)c1ccc(F)cc1F ZINC000160656987 346461348 /nfs/dbraw/zinc/46/13/48/346461348.db2.gz HIDOWTGUBAIIRZ-TVQRCGJNSA-N 1 0 243.297 3.040 20 70 BGIDRO CC[C@@H]([NH2+][C@H](C)COC)c1ccc(F)cc1F ZINC000160657249 346461336 /nfs/dbraw/zinc/46/13/36/346461336.db2.gz HIDOWTGUBAIIRZ-NOZJJQNGSA-N 1 0 243.297 3.040 20 70 BGIDRO CC(C)COCC[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000160672889 323102514 /nfs/dbraw/zinc/10/25/14/323102514.db2.gz APLZJPGGPDZWJU-CABCVRRESA-N 1 0 249.398 3.441 20 70 BGIDRO CC(C)COCC[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000160673024 323102417 /nfs/dbraw/zinc/10/24/17/323102417.db2.gz APLZJPGGPDZWJU-HUUCEWRRSA-N 1 0 249.398 3.441 20 70 BGIDRO CC(C)COCC[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000160673177 323102513 /nfs/dbraw/zinc/10/25/13/323102513.db2.gz APLZJPGGPDZWJU-GJZGRUSLSA-N 1 0 249.398 3.441 20 70 BGIDRO CC(C)COCC[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000160673322 323102463 /nfs/dbraw/zinc/10/24/63/323102463.db2.gz APLZJPGGPDZWJU-LSDHHAIUSA-N 1 0 249.398 3.441 20 70 BGIDRO CC[C@@H](C)[NH2+]CCCCc1nc(C)cs1 ZINC000160687366 170751528 /nfs/dbraw/zinc/75/15/28/170751528.db2.gz RDHDUPDNZBAKQH-SNVBAGLBSA-N 1 0 226.389 3.162 20 70 BGIDRO CC[C@H](C)[NH2+]CCCCc1nc(C)cs1 ZINC000160687495 171340347 /nfs/dbraw/zinc/34/03/47/171340347.db2.gz RDHDUPDNZBAKQH-JTQLQIEISA-N 1 0 226.389 3.162 20 70 BGIDRO CCn1ccnc1C[N@H+](CC)C1CCCCC1 ZINC000160762286 346464508 /nfs/dbraw/zinc/46/45/08/346464508.db2.gz ODYUDJAOYYVUJQ-UHFFFAOYSA-N 1 0 235.375 3.058 20 70 BGIDRO CCCC[N@H+](CC)Cc1nccn1C(C)C ZINC000160762590 388087816 /nfs/dbraw/zinc/08/78/16/388087816.db2.gz KDRWCRPTNCOPMM-UHFFFAOYSA-N 1 0 223.364 3.086 20 70 BGIDRO CCOCC[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC000160778677 384437437 /nfs/dbraw/zinc/43/74/37/384437437.db2.gz BGNDVTCXUDSACY-ZDUSSCGKSA-N 1 0 243.297 3.042 20 70 BGIDRO CCOCC[NH2+][C@H](CC)c1ccc(F)cc1F ZINC000160778794 384436347 /nfs/dbraw/zinc/43/63/47/384436347.db2.gz BGNDVTCXUDSACY-CYBMUJFWSA-N 1 0 243.297 3.042 20 70 BGIDRO CC[C@@H]1CC[N@H+](CCCC(=O)c2ccccc2)C1 ZINC000160779928 349318775 /nfs/dbraw/zinc/31/87/75/349318775.db2.gz HAFQFZMEGIOTQM-CQSZACIVSA-N 1 0 245.366 3.381 20 70 BGIDRO CC[C@H]1CC[N@H+](CCCC(=O)c2ccccc2)C1 ZINC000160780048 349318993 /nfs/dbraw/zinc/31/89/93/349318993.db2.gz HAFQFZMEGIOTQM-AWEZNQCLSA-N 1 0 245.366 3.381 20 70 BGIDRO Cn1ccc(C[N@H+](C)Cc2ccc(Cl)cc2)c1 ZINC000160808473 323075664 /nfs/dbraw/zinc/07/56/64/323075664.db2.gz BHMGVEJOYYZFGQ-UHFFFAOYSA-N 1 0 248.757 3.311 20 70 BGIDRO Cc1n[nH]cc1C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000160814516 384438363 /nfs/dbraw/zinc/43/83/63/384438363.db2.gz FVXIPRKADIGBRP-UHFFFAOYSA-N 1 0 249.745 3.004 20 70 BGIDRO Cc1ccc(C[N@H+](C)C[C@H]2CC=CCC2)o1 ZINC000160845840 323136629 /nfs/dbraw/zinc/13/66/29/323136629.db2.gz ZXDZWUUMUXLIHB-ZDUSSCGKSA-N 1 0 219.328 3.376 20 70 BGIDRO Cc1ccc(C[N@H+](C)C[C@@H]2CC=CCC2)o1 ZINC000160845984 323136734 /nfs/dbraw/zinc/13/67/34/323136734.db2.gz ZXDZWUUMUXLIHB-CYBMUJFWSA-N 1 0 219.328 3.376 20 70 BGIDRO CC(C)n1ccnc1C[N@@H+]1CCC[C@@H](C)CC1 ZINC000160867036 350867207 /nfs/dbraw/zinc/86/72/07/350867207.db2.gz DHSDAZDABTUHMP-CYBMUJFWSA-N 1 0 235.375 3.086 20 70 BGIDRO CC(C)n1ccnc1C[N@@H+]1CCC[C@H](C)CC1 ZINC000160867157 350867437 /nfs/dbraw/zinc/86/74/37/350867437.db2.gz DHSDAZDABTUHMP-ZDUSSCGKSA-N 1 0 235.375 3.086 20 70 BGIDRO Cc1ccc(CN(C)Cc2ccsc2)o1 ZINC000160874571 384443377 /nfs/dbraw/zinc/44/33/77/384443377.db2.gz LIWCOAMWPJIJTG-UHFFFAOYSA-N 1 0 221.325 3.282 20 70 BGIDRO CC(C)n1ccnc1C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000160890023 349340426 /nfs/dbraw/zinc/34/04/26/349340426.db2.gz XZPNPJMDGWOOIB-KBPBESRZSA-N 1 0 247.386 3.229 20 70 BGIDRO CCCC[NH2+][C@@H](C)Cc1ccccc1F ZINC000160894542 386521223 /nfs/dbraw/zinc/52/12/23/386521223.db2.gz KORDUXTXGZZAFE-NSHDSACASA-N 1 0 209.308 3.146 20 70 BGIDRO CCCC[NH2+][C@H](C)Cc1ccccc1F ZINC000160894660 168875654 /nfs/dbraw/zinc/87/56/54/168875654.db2.gz KORDUXTXGZZAFE-LLVKDONJSA-N 1 0 209.308 3.146 20 70 BGIDRO CC[C@H]([NH2+]Cc1ccc(C)s1)c1cnn(C)c1 ZINC000160904494 384446018 /nfs/dbraw/zinc/44/60/18/384446018.db2.gz PQHZRHGSBBGSSD-ZDUSSCGKSA-N 1 0 249.383 3.031 20 70 BGIDRO CC[C@@H]([NH2+]Cc1ccc(C)s1)c1cnn(C)c1 ZINC000160904631 170902178 /nfs/dbraw/zinc/90/21/78/170902178.db2.gz PQHZRHGSBBGSSD-CYBMUJFWSA-N 1 0 249.383 3.031 20 70 BGIDRO COc1ccc(CCNc2cc[nH+]c(C)c2)cc1 ZINC000160911359 175092355 /nfs/dbraw/zinc/09/23/55/175092355.db2.gz YFUUMIRAWGBOJX-UHFFFAOYSA-N 1 0 242.322 3.053 20 70 BGIDRO COc1ccc(CNc2cc[nH+]c(C)c2)cc1 ZINC000160911957 175112885 /nfs/dbraw/zinc/11/28/85/175112885.db2.gz UYKMEOMYNCSSSE-UHFFFAOYSA-N 1 0 228.295 3.011 20 70 BGIDRO Cc1cc(NCCCc2ccccc2)cc[nH+]1 ZINC000160912473 178160380 /nfs/dbraw/zinc/16/03/80/178160380.db2.gz RLVMHXRZEPICAM-UHFFFAOYSA-N 1 0 226.323 3.435 20 70 BGIDRO COc1ccccc1CNc1cc[nH+]c(C)c1 ZINC000160912885 175331193 /nfs/dbraw/zinc/33/11/93/175331193.db2.gz RAAVKTKGUIRXPP-UHFFFAOYSA-N 1 0 228.295 3.011 20 70 BGIDRO Cc1cc(NCCc2ccc(F)cc2)cc[nH+]1 ZINC000160913025 178163209 /nfs/dbraw/zinc/16/32/09/178163209.db2.gz PBORLESYVPYAMZ-UHFFFAOYSA-N 1 0 230.286 3.184 20 70 BGIDRO COc1cccc(CNc2cc[nH+]c(C)c2)c1 ZINC000160913444 175269124 /nfs/dbraw/zinc/26/91/24/175269124.db2.gz SPUPJHBMJOXNHJ-UHFFFAOYSA-N 1 0 228.295 3.011 20 70 BGIDRO Cc1cc(NCCc2ccccc2F)cc[nH+]1 ZINC000160915568 178163624 /nfs/dbraw/zinc/16/36/24/178163624.db2.gz SEOSVAXNIBMCEF-UHFFFAOYSA-N 1 0 230.286 3.184 20 70 BGIDRO Cc1cccc(OCCNc2cc[nH+]c(C)c2)c1 ZINC000160915726 179168980 /nfs/dbraw/zinc/16/89/80/179168980.db2.gz UJPJVJURDZPJEP-UHFFFAOYSA-N 1 0 242.322 3.189 20 70 BGIDRO Cc1cc(NCCc2cccc(F)c2)cc[nH+]1 ZINC000160915874 178163625 /nfs/dbraw/zinc/16/36/25/178163625.db2.gz WARVXWAIXGWDCA-UHFFFAOYSA-N 1 0 230.286 3.184 20 70 BGIDRO COCc1ccccc1CNc1cc[nH+]c(C)c1 ZINC000160917158 384446711 /nfs/dbraw/zinc/44/67/11/384446711.db2.gz CCBOVRKGQHKMCP-UHFFFAOYSA-N 1 0 242.322 3.149 20 70 BGIDRO Cc1cc(NC[C@@H]2Cc3ccccc32)cc[nH+]1 ZINC000160918398 178167681 /nfs/dbraw/zinc/16/76/81/178167681.db2.gz BLGDSRLPHFWVDW-ZDUSSCGKSA-N 1 0 224.307 3.142 20 70 BGIDRO Cc1cc(NC[C@H]2Cc3ccccc32)cc[nH+]1 ZINC000160918537 178169537 /nfs/dbraw/zinc/16/95/37/178169537.db2.gz BLGDSRLPHFWVDW-CYBMUJFWSA-N 1 0 224.307 3.142 20 70 BGIDRO Cc1ccc(C[NH2+][C@@H](C)CC(F)(F)F)s1 ZINC000160943581 388104707 /nfs/dbraw/zinc/10/47/07/388104707.db2.gz BRWXZCMTUFVLAF-ZETCQYMHSA-N 1 0 237.290 3.487 20 70 BGIDRO Cc1ccc(C[NH2+][C@H](C)CC(F)(F)F)s1 ZINC000160943732 388104351 /nfs/dbraw/zinc/10/43/51/388104351.db2.gz BRWXZCMTUFVLAF-SSDOTTSWSA-N 1 0 237.290 3.487 20 70 BGIDRO CC(C)[NH+](CCSCc1ccon1)C(C)C ZINC000160949105 188334941 /nfs/dbraw/zinc/33/49/41/188334941.db2.gz KXZQJHKTTNKWBL-UHFFFAOYSA-N 1 0 242.388 3.027 20 70 BGIDRO CC[C@@H](C)C[N@H+](CC)Cc1cnc2ccccn12 ZINC000160953244 349343079 /nfs/dbraw/zinc/34/30/79/349343079.db2.gz WXFGDKBRYWOZOL-CYBMUJFWSA-N 1 0 245.370 3.202 20 70 BGIDRO CC[C@H](C)C[N@H+](CC)Cc1cnc2ccccn12 ZINC000160953378 349342938 /nfs/dbraw/zinc/34/29/38/349342938.db2.gz WXFGDKBRYWOZOL-ZDUSSCGKSA-N 1 0 245.370 3.202 20 70 BGIDRO COc1c(C)cnc(C[N@@H+]2CCCC[C@@H]2C)c1C ZINC000160964567 388106453 /nfs/dbraw/zinc/10/64/53/388106453.db2.gz WPXSHJZNCJSYCR-LBPRGKRZSA-N 1 0 248.370 3.081 20 70 BGIDRO COc1c(C)cnc(C[N@@H+]2CCCC[C@H]2C)c1C ZINC000160964680 388106985 /nfs/dbraw/zinc/10/69/85/388106985.db2.gz WPXSHJZNCJSYCR-GFCCVEGCSA-N 1 0 248.370 3.081 20 70 BGIDRO c1ccc2c(c1)CC[C@@H]2C[NH2+]C(C1CC1)C1CC1 ZINC000160966733 323140849 /nfs/dbraw/zinc/14/08/49/323140849.db2.gz ZCRRSVBIOAQURR-OAHLLOKOSA-N 1 0 241.378 3.495 20 70 BGIDRO c1ccc2c(c1)CC[C@H]2C[NH2+]C(C1CC1)C1CC1 ZINC000160966813 323140874 /nfs/dbraw/zinc/14/08/74/323140874.db2.gz ZCRRSVBIOAQURR-HNNXBMFYSA-N 1 0 241.378 3.495 20 70 BGIDRO CC(C)[C@@H](C)[NH2+]C[C@@H]1CCc2ccccc21 ZINC000160966986 388106499 /nfs/dbraw/zinc/10/64/99/388106499.db2.gz KFGRUCYDKGIEAA-OCCSQVGLSA-N 1 0 217.356 3.351 20 70 BGIDRO CC(C)[C@H](C)[NH2+]C[C@@H]1CCc2ccccc21 ZINC000160967091 384259741 /nfs/dbraw/zinc/25/97/41/384259741.db2.gz KFGRUCYDKGIEAA-JSGCOSHPSA-N 1 0 217.356 3.351 20 70 BGIDRO CC(C)[C@@H](C)[NH2+]C[C@H]1CCc2ccccc21 ZINC000160967161 384260593 /nfs/dbraw/zinc/26/05/93/384260593.db2.gz KFGRUCYDKGIEAA-TZMCWYRMSA-N 1 0 217.356 3.351 20 70 BGIDRO CC(C)[C@H](C)[NH2+]C[C@H]1CCc2ccccc21 ZINC000160967242 388106538 /nfs/dbraw/zinc/10/65/38/388106538.db2.gz KFGRUCYDKGIEAA-GXTWGEPZSA-N 1 0 217.356 3.351 20 70 BGIDRO CC[C@@H](C)[NH2+]C[C@@H]1CCc2ccccc21 ZINC000160986453 384519161 /nfs/dbraw/zinc/51/91/61/384519161.db2.gz ZJPUKJZNJNCZEF-YPMHNXCESA-N 1 0 203.329 3.105 20 70 BGIDRO CC[C@H](C)[NH2+]C[C@@H]1CCc2ccccc21 ZINC000160986605 171340788 /nfs/dbraw/zinc/34/07/88/171340788.db2.gz ZJPUKJZNJNCZEF-AAEUAGOBSA-N 1 0 203.329 3.105 20 70 BGIDRO CC[C@@H](C)[NH2+]C[C@H]1CCc2ccccc21 ZINC000160986725 384516619 /nfs/dbraw/zinc/51/66/19/384516619.db2.gz ZJPUKJZNJNCZEF-DGCLKSJQSA-N 1 0 203.329 3.105 20 70 BGIDRO CC[C@H](C)[NH2+]C[C@H]1CCc2ccccc21 ZINC000160986853 171341921 /nfs/dbraw/zinc/34/19/21/171341921.db2.gz ZJPUKJZNJNCZEF-WCQYABFASA-N 1 0 203.329 3.105 20 70 BGIDRO c1cc2c(s1)CCC[C@H]2[NH2+]CC1=CCCOC1 ZINC000160989740 188008783 /nfs/dbraw/zinc/00/87/83/188008783.db2.gz XKORRADLZCWEHD-CYBMUJFWSA-N 1 0 249.379 3.062 20 70 BGIDRO c1cc2c(s1)CCC[C@@H]2[NH2+]CC1=CCCOC1 ZINC000160989867 188008405 /nfs/dbraw/zinc/00/84/05/188008405.db2.gz XKORRADLZCWEHD-ZDUSSCGKSA-N 1 0 249.379 3.062 20 70 BGIDRO C[C@H]([NH2+]C[C@@H]1CCc2ccccc21)C1(C)CC1 ZINC000160995485 349355240 /nfs/dbraw/zinc/35/52/40/349355240.db2.gz OXKNACHXUUTKPC-JSGCOSHPSA-N 1 0 229.367 3.495 20 70 BGIDRO C[C@@H]([NH2+]C[C@@H]1CCc2ccccc21)C1(C)CC1 ZINC000160995614 349355454 /nfs/dbraw/zinc/35/54/54/349355454.db2.gz OXKNACHXUUTKPC-OCCSQVGLSA-N 1 0 229.367 3.495 20 70 BGIDRO C[C@H]([NH2+]C[C@H]1CCc2ccccc21)C1(C)CC1 ZINC000160995755 349355235 /nfs/dbraw/zinc/35/52/35/349355235.db2.gz OXKNACHXUUTKPC-GXTWGEPZSA-N 1 0 229.367 3.495 20 70 BGIDRO C[C@@H]([NH2+]C[C@H]1CCc2ccccc21)C1(C)CC1 ZINC000160995876 349355542 /nfs/dbraw/zinc/35/55/42/349355542.db2.gz OXKNACHXUUTKPC-TZMCWYRMSA-N 1 0 229.367 3.495 20 70 BGIDRO CC[C@H]([NH2+]C[C@@H]1CCc2ccccc21)C1CC1 ZINC000161001444 323142651 /nfs/dbraw/zinc/14/26/51/323142651.db2.gz RERQRCINVZOQSA-HOCLYGCPSA-N 1 0 229.367 3.495 20 70 BGIDRO CC[C@@H]([NH2+]C[C@@H]1CCc2ccccc21)C1CC1 ZINC000161001551 323142638 /nfs/dbraw/zinc/14/26/38/323142638.db2.gz RERQRCINVZOQSA-GOEBONIOSA-N 1 0 229.367 3.495 20 70 BGIDRO CC[C@H]([NH2+]C[C@H]1CCc2ccccc21)C1CC1 ZINC000161001673 323142626 /nfs/dbraw/zinc/14/26/26/323142626.db2.gz RERQRCINVZOQSA-ZBFHGGJFSA-N 1 0 229.367 3.495 20 70 BGIDRO CC[C@@H]([NH2+]C[C@H]1CCc2ccccc21)C1CC1 ZINC000161001791 323142913 /nfs/dbraw/zinc/14/29/13/323142913.db2.gz RERQRCINVZOQSA-GDBMZVCRSA-N 1 0 229.367 3.495 20 70 BGIDRO CC(C)C[C@@H](C)[NH2+][C@H](CCO)c1ccccc1 ZINC000161003332 384454195 /nfs/dbraw/zinc/45/41/95/384454195.db2.gz YSYGQKVZWJTVQW-UKRRQHHQSA-N 1 0 235.371 3.134 20 70 BGIDRO CC(C)C[C@H](C)[NH2+][C@H](CCO)c1ccccc1 ZINC000161003453 384454630 /nfs/dbraw/zinc/45/46/30/384454630.db2.gz YSYGQKVZWJTVQW-DZGCQCFKSA-N 1 0 235.371 3.134 20 70 BGIDRO CC(C)(C)C[NH2+]Cc1cc(F)cc(F)c1 ZINC000161005593 410451368 /nfs/dbraw/zinc/45/13/68/410451368.db2.gz BRHZURFEOQDLSO-UHFFFAOYSA-N 1 0 213.271 3.101 20 70 BGIDRO CCCC[C@@H](C)[NH2+][C@H](CCO)c1ccccc1 ZINC000161030194 323143312 /nfs/dbraw/zinc/14/33/12/323143312.db2.gz PEXHQGARZIHMFA-UKRRQHHQSA-N 1 0 235.371 3.278 20 70 BGIDRO CCCC[C@H](C)[NH2+][C@H](CCO)c1ccccc1 ZINC000161030311 323143265 /nfs/dbraw/zinc/14/32/65/323143265.db2.gz PEXHQGARZIHMFA-DZGCQCFKSA-N 1 0 235.371 3.278 20 70 BGIDRO C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1ccco1 ZINC000161052561 384460619 /nfs/dbraw/zinc/46/06/19/384460619.db2.gz CBIDSDHOEDLJDL-GXTWGEPZSA-N 1 0 245.322 3.054 20 70 BGIDRO C[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1ccco1 ZINC000161052694 384461939 /nfs/dbraw/zinc/46/19/39/384461939.db2.gz CBIDSDHOEDLJDL-TZMCWYRMSA-N 1 0 245.322 3.054 20 70 BGIDRO C[C@@H]1CCCC[C@@H]1[NH2+][C@H](CCO)c1ccccc1 ZINC000161053344 349362046 /nfs/dbraw/zinc/36/20/46/349362046.db2.gz DEQBSWQNZSYAHL-VNQPRFMTSA-N 1 0 247.382 3.278 20 70 BGIDRO C[C@H]1CCCC[C@@H]1[NH2+][C@H](CCO)c1ccccc1 ZINC000161053459 133511473 /nfs/dbraw/zinc/51/14/73/133511473.db2.gz DEQBSWQNZSYAHL-CWRNSKLLSA-N 1 0 247.382 3.278 20 70 BGIDRO C[C@@H]1CCCC[C@H]1[NH2+][C@H](CCO)c1ccccc1 ZINC000161053575 133511313 /nfs/dbraw/zinc/51/13/13/133511313.db2.gz DEQBSWQNZSYAHL-FVQBIDKESA-N 1 0 247.382 3.278 20 70 BGIDRO C[C@H]1CCCC[C@H]1[NH2+][C@H](CCO)c1ccccc1 ZINC000161053691 349362152 /nfs/dbraw/zinc/36/21/52/349362152.db2.gz DEQBSWQNZSYAHL-NUEKZKHPSA-N 1 0 247.382 3.278 20 70 BGIDRO C[C@H]([NH2+][C@H](CCO)c1ccccc1)C1CCCC1 ZINC000161084116 384460451 /nfs/dbraw/zinc/46/04/51/384460451.db2.gz UHSVWAPUIORQAG-XJKSGUPXSA-N 1 0 247.382 3.278 20 70 BGIDRO C[C@@H]([NH2+][C@H](CCO)c1ccccc1)C1CCCC1 ZINC000161084234 384461295 /nfs/dbraw/zinc/46/12/95/384461295.db2.gz UHSVWAPUIORQAG-CZUORRHYSA-N 1 0 247.382 3.278 20 70 BGIDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1C)c1cscn1 ZINC000161128606 410535063 /nfs/dbraw/zinc/53/50/63/410535063.db2.gz FTWIMUGUUZMGEZ-VWYCJHECSA-N 1 0 224.373 3.372 20 70 BGIDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1cscn1 ZINC000161128705 410535873 /nfs/dbraw/zinc/53/58/73/410535873.db2.gz FTWIMUGUUZMGEZ-DCAQKATOSA-N 1 0 224.373 3.372 20 70 BGIDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)c1cscn1 ZINC000161128841 410535615 /nfs/dbraw/zinc/53/56/15/410535615.db2.gz FTWIMUGUUZMGEZ-OUAUKWLOSA-N 1 0 224.373 3.372 20 70 BGIDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1cscn1 ZINC000161128973 398344227 /nfs/dbraw/zinc/34/42/27/398344227.db2.gz FTWIMUGUUZMGEZ-GARJFASQSA-N 1 0 224.373 3.372 20 70 BGIDRO Cn1ccc(C[N@H+](C)Cc2cccc(Cl)c2)c1 ZINC000161129960 323148806 /nfs/dbraw/zinc/14/88/06/323148806.db2.gz DGGATKTXNOGTBI-UHFFFAOYSA-N 1 0 248.757 3.311 20 70 BGIDRO C[C@H]([NH2+]CC1CCCCC1)c1cscn1 ZINC000161133314 384798503 /nfs/dbraw/zinc/79/85/03/384798503.db2.gz WWYMKIVZMXJQAN-JTQLQIEISA-N 1 0 224.373 3.374 20 70 BGIDRO C[C@@H]([NH2+]CC1CCCCC1)c1cscn1 ZINC000161133442 384818104 /nfs/dbraw/zinc/81/81/04/384818104.db2.gz WWYMKIVZMXJQAN-SNVBAGLBSA-N 1 0 224.373 3.374 20 70 BGIDRO Cc1n[nH]cc1CN(C)Cc1cccc(Cl)c1 ZINC000161136595 384467201 /nfs/dbraw/zinc/46/72/01/384467201.db2.gz MNQPGGMZHHPJMI-UHFFFAOYSA-N 1 0 249.745 3.004 20 70 BGIDRO C[C@H]([NH2+]CCc1cccs1)c1cscn1 ZINC000161138103 398061737 /nfs/dbraw/zinc/06/17/37/398061737.db2.gz RYQOVZDXRQSIQH-VIFPVBQESA-N 1 0 238.381 3.098 20 70 BGIDRO C[C@@H]([NH2+]CCc1cccs1)c1cscn1 ZINC000161138237 384834794 /nfs/dbraw/zinc/83/47/94/384834794.db2.gz RYQOVZDXRQSIQH-SECBINFHSA-N 1 0 238.381 3.098 20 70 BGIDRO C[C@H]([NH2+]C1CCC(C)CC1)c1cscn1 ZINC000161139093 323148997 /nfs/dbraw/zinc/14/89/97/323148997.db2.gz VKVHBLGIARSWRP-YVNMAJEFSA-N 1 0 224.373 3.372 20 70 BGIDRO C[C@@H]([NH2+]C1CCC(C)CC1)c1cscn1 ZINC000161139192 323149094 /nfs/dbraw/zinc/14/90/94/323149094.db2.gz VKVHBLGIARSWRP-HSOILSAZSA-N 1 0 224.373 3.372 20 70 BGIDRO C[C@H]([NH2+]CCC1CCCC1)c1cscn1 ZINC000161147409 384844319 /nfs/dbraw/zinc/84/43/19/384844319.db2.gz RYYKGGAYHOCOQO-JTQLQIEISA-N 1 0 224.373 3.374 20 70 BGIDRO C[C@@H]([NH2+]CCC1CCCC1)c1cscn1 ZINC000161147498 384844004 /nfs/dbraw/zinc/84/40/04/384844004.db2.gz RYYKGGAYHOCOQO-SNVBAGLBSA-N 1 0 224.373 3.374 20 70 BGIDRO CC(C)CCC[NH2+][C@@H](C)c1cscn1 ZINC000161148032 166815805 /nfs/dbraw/zinc/81/58/05/166815805.db2.gz PHWCMRNGZIEQNJ-JTQLQIEISA-N 1 0 212.362 3.230 20 70 BGIDRO CC(C)CCC[NH2+][C@H](C)c1cscn1 ZINC000161148134 398060744 /nfs/dbraw/zinc/06/07/44/398060744.db2.gz PHWCMRNGZIEQNJ-SNVBAGLBSA-N 1 0 212.362 3.230 20 70 BGIDRO C[C@H]([NH2+]CCc1ccsc1)c1cscn1 ZINC000161148261 384844560 /nfs/dbraw/zinc/84/45/60/384844560.db2.gz TUIHXDVATCHBCQ-VIFPVBQESA-N 1 0 238.381 3.098 20 70 BGIDRO C[C@@H]([NH2+]CCc1ccsc1)c1cscn1 ZINC000161148364 384845268 /nfs/dbraw/zinc/84/52/68/384845268.db2.gz TUIHXDVATCHBCQ-SECBINFHSA-N 1 0 238.381 3.098 20 70 BGIDRO Cc1ncccc1C[N@H+](C)Cc1ccc(F)cc1 ZINC000161149951 323149136 /nfs/dbraw/zinc/14/91/36/323149136.db2.gz BOPMGQXRRQPVGI-UHFFFAOYSA-N 1 0 244.313 3.161 20 70 BGIDRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000161166015 323149692 /nfs/dbraw/zinc/14/96/92/323149692.db2.gz SKQDIJUSZZVVJD-AEJSXWLSSA-N 1 0 212.362 3.228 20 70 BGIDRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000161166270 323149651 /nfs/dbraw/zinc/14/96/51/323149651.db2.gz SKQDIJUSZZVVJD-GUBZILKMSA-N 1 0 212.362 3.228 20 70 BGIDRO C[C@H]([NH2+]CCC(C)(C)C)c1cscn1 ZINC000161168887 323149716 /nfs/dbraw/zinc/14/97/16/323149716.db2.gz QIBQHIIAVKRVRT-VIFPVBQESA-N 1 0 212.362 3.230 20 70 BGIDRO C[C@@H]([NH2+]CCC(C)(C)C)c1cscn1 ZINC000161168996 323149697 /nfs/dbraw/zinc/14/96/97/323149697.db2.gz QIBQHIIAVKRVRT-SECBINFHSA-N 1 0 212.362 3.230 20 70 BGIDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1cscn1 ZINC000161169641 384865176 /nfs/dbraw/zinc/86/51/76/384865176.db2.gz AJRKJDPCCWUFJQ-VWYCJHECSA-N 1 0 224.373 3.372 20 70 BGIDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1cscn1 ZINC000161169894 384865898 /nfs/dbraw/zinc/86/58/98/384865898.db2.gz AJRKJDPCCWUFJQ-OUAUKWLOSA-N 1 0 224.373 3.372 20 70 BGIDRO CC[C@H]([NH2+][C@@H](C)c1cscn1)C(C)C ZINC000161172767 538914543 /nfs/dbraw/zinc/91/45/43/538914543.db2.gz BGGYMFXIGQBAAG-UWVGGRQHSA-N 1 0 212.362 3.228 20 70 BGIDRO CC[C@@H]([NH2+][C@@H](C)c1cscn1)C(C)C ZINC000161172884 538914411 /nfs/dbraw/zinc/91/44/11/538914411.db2.gz BGGYMFXIGQBAAG-VHSXEESVSA-N 1 0 212.362 3.228 20 70 BGIDRO CC[C@H]([NH2+][C@H](C)c1cscn1)C(C)C ZINC000161172996 538914300 /nfs/dbraw/zinc/91/43/00/538914300.db2.gz BGGYMFXIGQBAAG-ZJUUUORDSA-N 1 0 212.362 3.228 20 70 BGIDRO CC[C@@H]([NH2+][C@H](C)c1cscn1)C(C)C ZINC000161173105 538914392 /nfs/dbraw/zinc/91/43/92/538914392.db2.gz BGGYMFXIGQBAAG-NXEZZACHSA-N 1 0 212.362 3.228 20 70 BGIDRO C[C@H]([NH2+]C[C@H]1CC=CCC1)c1cscn1 ZINC000161173774 384885147 /nfs/dbraw/zinc/88/51/47/384885147.db2.gz DDQCJEXQYQOIFT-QWRGUYRKSA-N 1 0 222.357 3.150 20 70 BGIDRO C[C@@H]([NH2+]C[C@H]1CC=CCC1)c1cscn1 ZINC000161173895 188178019 /nfs/dbraw/zinc/17/80/19/188178019.db2.gz DDQCJEXQYQOIFT-MNOVXSKESA-N 1 0 222.357 3.150 20 70 BGIDRO C[C@H]([NH2+]C[C@@H]1CC=CCC1)c1cscn1 ZINC000161174005 384882894 /nfs/dbraw/zinc/88/28/94/384882894.db2.gz DDQCJEXQYQOIFT-WDEREUQCSA-N 1 0 222.357 3.150 20 70 BGIDRO C[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1cscn1 ZINC000161174097 385744077 /nfs/dbraw/zinc/74/40/77/385744077.db2.gz DDQCJEXQYQOIFT-GHMZBOCLSA-N 1 0 222.357 3.150 20 70 BGIDRO CCC(CC)C[NH2+][C@@H](C)c1cscn1 ZINC000161191909 168363593 /nfs/dbraw/zinc/36/35/93/168363593.db2.gz POKCGHUEEUIQSB-VIFPVBQESA-N 1 0 212.362 3.230 20 70 BGIDRO CCC(CC)C[NH2+][C@H](C)c1cscn1 ZINC000161192010 168365008 /nfs/dbraw/zinc/36/50/08/168365008.db2.gz POKCGHUEEUIQSB-SECBINFHSA-N 1 0 212.362 3.230 20 70 BGIDRO C[C@@H]([NH2+][C@@H](C)c1cscn1)C(C)(C)C ZINC000161195299 323316452 /nfs/dbraw/zinc/31/64/52/323316452.db2.gz OEPJQHNPGYDHMS-DTWKUNHWSA-N 1 0 212.362 3.228 20 70 BGIDRO C[C@@H]([NH2+][C@H](C)C(C)(C)C)c1cscn1 ZINC000161195422 323316173 /nfs/dbraw/zinc/31/61/73/323316173.db2.gz OEPJQHNPGYDHMS-RKDXNWHRSA-N 1 0 212.362 3.228 20 70 BGIDRO C[C@H]([NH2+][C@@H](C)C1CCCC1)c1cscn1 ZINC000161199345 384912888 /nfs/dbraw/zinc/91/28/88/384912888.db2.gz GWBRMIJUJBZDMT-UWVGGRQHSA-N 1 0 224.373 3.372 20 70 BGIDRO C[C@@H]([NH2+][C@@H](C)C1CCCC1)c1cscn1 ZINC000161199472 384911300 /nfs/dbraw/zinc/91/13/00/384911300.db2.gz GWBRMIJUJBZDMT-VHSXEESVSA-N 1 0 224.373 3.372 20 70 BGIDRO C[C@@H]([NH2+][C@H](C)C1CCCC1)c1cscn1 ZINC000161199707 384909779 /nfs/dbraw/zinc/90/97/79/384909779.db2.gz GWBRMIJUJBZDMT-NXEZZACHSA-N 1 0 224.373 3.372 20 70 BGIDRO C[C@@H](C[NH2+][C@@H](C)c1cscn1)C(C)(C)C ZINC000161200333 538914938 /nfs/dbraw/zinc/91/49/38/538914938.db2.gz HEXJURMFDHNPKG-UWVGGRQHSA-N 1 0 226.389 3.476 20 70 BGIDRO C[C@H](C[NH2+][C@@H](C)c1cscn1)C(C)(C)C ZINC000161200471 538110731 /nfs/dbraw/zinc/11/07/31/538110731.db2.gz HEXJURMFDHNPKG-ZJUUUORDSA-N 1 0 226.389 3.476 20 70 BGIDRO C[C@@H](C[NH2+][C@H](C)c1cscn1)C(C)(C)C ZINC000161200610 538915026 /nfs/dbraw/zinc/91/50/26/538915026.db2.gz HEXJURMFDHNPKG-VHSXEESVSA-N 1 0 226.389 3.476 20 70 BGIDRO C[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)c1cscn1 ZINC000161200722 538915022 /nfs/dbraw/zinc/91/50/22/538915022.db2.gz HEXJURMFDHNPKG-NXEZZACHSA-N 1 0 226.389 3.476 20 70 BGIDRO CCC[N@H+](CCO)Cc1cc2ccccc2s1 ZINC000161204541 323075887 /nfs/dbraw/zinc/07/58/87/323075887.db2.gz SMKRZWRSZICLDR-UHFFFAOYSA-N 1 0 249.379 3.106 20 70 BGIDRO CC(C)[C@@H](C)C[NH2+][C@@H](C)c1cscn1 ZINC000161206940 387149967 /nfs/dbraw/zinc/14/99/67/387149967.db2.gz HABNSNLLDBBKHR-UWVGGRQHSA-N 1 0 212.362 3.086 20 70 BGIDRO CC(C)[C@H](C)C[NH2+][C@@H](C)c1cscn1 ZINC000161207031 323037801 /nfs/dbraw/zinc/03/78/01/323037801.db2.gz HABNSNLLDBBKHR-ZJUUUORDSA-N 1 0 212.362 3.086 20 70 BGIDRO CC(C)[C@@H](C)C[NH2+][C@H](C)c1cscn1 ZINC000161207146 387149765 /nfs/dbraw/zinc/14/97/65/387149765.db2.gz HABNSNLLDBBKHR-VHSXEESVSA-N 1 0 212.362 3.086 20 70 BGIDRO CC(C)[C@H](C)C[NH2+][C@H](C)c1cscn1 ZINC000161207253 387149488 /nfs/dbraw/zinc/14/94/88/387149488.db2.gz HABNSNLLDBBKHR-NXEZZACHSA-N 1 0 212.362 3.086 20 70 BGIDRO CCSCC[C@@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000161216264 384928427 /nfs/dbraw/zinc/92/84/27/384928427.db2.gz QNTPHSCEGIIMPT-ZJUUUORDSA-N 1 0 244.429 3.325 20 70 BGIDRO CCSCC[C@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000161216386 384926867 /nfs/dbraw/zinc/92/68/67/384926867.db2.gz QNTPHSCEGIIMPT-UWVGGRQHSA-N 1 0 244.429 3.325 20 70 BGIDRO CCSCC[C@@H](C)[NH2+][C@H](C)c1cscn1 ZINC000161216502 384926405 /nfs/dbraw/zinc/92/64/05/384926405.db2.gz QNTPHSCEGIIMPT-NXEZZACHSA-N 1 0 244.429 3.325 20 70 BGIDRO CCSCC[C@H](C)[NH2+][C@H](C)c1cscn1 ZINC000161216637 384929290 /nfs/dbraw/zinc/92/92/90/384929290.db2.gz QNTPHSCEGIIMPT-VHSXEESVSA-N 1 0 244.429 3.325 20 70 BGIDRO C[C@H]([NH2+]CCCC(F)(F)F)c1cscn1 ZINC000161217247 384927968 /nfs/dbraw/zinc/92/79/68/384927968.db2.gz XJABVZXGADOQNI-ZETCQYMHSA-N 1 0 238.278 3.136 20 70 BGIDRO C[C@@H]([NH2+]CCCC(F)(F)F)c1cscn1 ZINC000161217368 384927330 /nfs/dbraw/zinc/92/73/30/384927330.db2.gz XJABVZXGADOQNI-SSDOTTSWSA-N 1 0 238.278 3.136 20 70 BGIDRO C[C@H]([NH2+][C@@H]1CCCC1(C)C)c1cscn1 ZINC000161219786 384926790 /nfs/dbraw/zinc/92/67/90/384926790.db2.gz KJKVLTOFLQMDKB-GXSJLCMTSA-N 1 0 224.373 3.372 20 70 BGIDRO C[C@@H]([NH2+][C@@H]1CCCC1(C)C)c1cscn1 ZINC000161219885 384927475 /nfs/dbraw/zinc/92/74/75/384927475.db2.gz KJKVLTOFLQMDKB-MWLCHTKSSA-N 1 0 224.373 3.372 20 70 BGIDRO C[C@H]([NH2+][C@H]1CCCC1(C)C)c1cscn1 ZINC000161219983 384928014 /nfs/dbraw/zinc/92/80/14/384928014.db2.gz KJKVLTOFLQMDKB-ONGXEEELSA-N 1 0 224.373 3.372 20 70 BGIDRO C[C@@H]([NH2+][C@H]1CCCC1(C)C)c1cscn1 ZINC000161220113 384927610 /nfs/dbraw/zinc/92/76/10/384927610.db2.gz KJKVLTOFLQMDKB-KOLCDFICSA-N 1 0 224.373 3.372 20 70 BGIDRO C[C@H]([NH2+]C[C@]1(C)CCCS1)c1cscn1 ZINC000161224955 384934786 /nfs/dbraw/zinc/93/47/86/384934786.db2.gz FANIQWNHZARUAJ-ONGXEEELSA-N 1 0 242.413 3.079 20 70 BGIDRO C[C@@H]([NH2+]C[C@]1(C)CCCS1)c1cscn1 ZINC000161225066 384935432 /nfs/dbraw/zinc/93/54/32/384935432.db2.gz FANIQWNHZARUAJ-KOLCDFICSA-N 1 0 242.413 3.079 20 70 BGIDRO C[C@H]([NH2+]C[C@@]1(C)CCCS1)c1cscn1 ZINC000161225193 384932892 /nfs/dbraw/zinc/93/28/92/384932892.db2.gz FANIQWNHZARUAJ-GXSJLCMTSA-N 1 0 242.413 3.079 20 70 BGIDRO C[C@@H]([NH2+]C[C@@]1(C)CCCS1)c1cscn1 ZINC000161225321 384934652 /nfs/dbraw/zinc/93/46/52/384934652.db2.gz FANIQWNHZARUAJ-MWLCHTKSSA-N 1 0 242.413 3.079 20 70 BGIDRO COc1ccc(C[N@H+](C)C(C)C)cc1Cl ZINC000161240764 384476706 /nfs/dbraw/zinc/47/67/06/384476706.db2.gz PXJDOABAHOWMAO-UHFFFAOYSA-N 1 0 227.735 3.189 20 70 BGIDRO c1sc(C2CC2)nc1C[NH+]1CCCCCC1 ZINC000161242496 349414666 /nfs/dbraw/zinc/41/46/66/349414666.db2.gz AZVKTASPWKXCRV-UHFFFAOYSA-N 1 0 236.384 3.397 20 70 BGIDRO FC(F)Sc1ccc(C[NH2+]C2CC2)cc1 ZINC000161246750 384951187 /nfs/dbraw/zinc/95/11/87/384951187.db2.gz OXKGUUIFEADKLJ-UHFFFAOYSA-N 1 0 229.295 3.253 20 70 BGIDRO CC(C)[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000161246996 167119731 /nfs/dbraw/zinc/11/97/31/167119731.db2.gz KTQAYNGYOVLBPI-UHFFFAOYSA-N 1 0 231.311 3.499 20 70 BGIDRO C[C@@H]1CCC[C@H](C[N@H+](C)CCc2ccncc2)C1 ZINC000161251650 349415619 /nfs/dbraw/zinc/41/56/19/349415619.db2.gz YZMGTJDJOHMLFA-ZBFHGGJFSA-N 1 0 246.398 3.382 20 70 BGIDRO C[C@H]1CCC[C@H](C[N@H+](C)CCc2ccncc2)C1 ZINC000161251767 349415595 /nfs/dbraw/zinc/41/55/95/349415595.db2.gz YZMGTJDJOHMLFA-HOCLYGCPSA-N 1 0 246.398 3.382 20 70 BGIDRO C[C@@H]1CCC[C@@H](C[N@H+](C)CCc2ccncc2)C1 ZINC000161251877 349415710 /nfs/dbraw/zinc/41/57/10/349415710.db2.gz YZMGTJDJOHMLFA-GDBMZVCRSA-N 1 0 246.398 3.382 20 70 BGIDRO C[C@H]1CCC[C@@H](C[N@H+](C)CCc2ccncc2)C1 ZINC000161251999 349415379 /nfs/dbraw/zinc/41/53/79/349415379.db2.gz YZMGTJDJOHMLFA-GOEBONIOSA-N 1 0 246.398 3.382 20 70 BGIDRO CC(C)[C@@H](C)[NH2+]C[C@@H](C)COCc1ccccc1 ZINC000161297855 323493505 /nfs/dbraw/zinc/49/35/05/323493505.db2.gz CPKFRRLAVOFKGC-HUUCEWRRSA-N 1 0 249.398 3.473 20 70 BGIDRO CC(C)[C@H](C)[NH2+]C[C@@H](C)COCc1ccccc1 ZINC000161297938 323493612 /nfs/dbraw/zinc/49/36/12/323493612.db2.gz CPKFRRLAVOFKGC-CABCVRRESA-N 1 0 249.398 3.473 20 70 BGIDRO CC(C)[C@@H](C)[NH2+]C[C@H](C)COCc1ccccc1 ZINC000161298041 323493685 /nfs/dbraw/zinc/49/36/85/323493685.db2.gz CPKFRRLAVOFKGC-LSDHHAIUSA-N 1 0 249.398 3.473 20 70 BGIDRO CC(C)[C@H](C)[NH2+]C[C@H](C)COCc1ccccc1 ZINC000161298139 323493608 /nfs/dbraw/zinc/49/36/08/323493608.db2.gz CPKFRRLAVOFKGC-GJZGRUSLSA-N 1 0 249.398 3.473 20 70 BGIDRO CC[C@@H](C)[NH2+][C@@H](CC)c1ccc(F)cn1 ZINC000161303897 346167697 /nfs/dbraw/zinc/16/76/97/346167697.db2.gz LODRCCBCZORBMP-KOLCDFICSA-N 1 0 210.296 3.060 20 70 BGIDRO CC[C@H](C)[NH2+][C@@H](CC)c1ccc(F)cn1 ZINC000161304017 346168168 /nfs/dbraw/zinc/16/81/68/346168168.db2.gz LODRCCBCZORBMP-ONGXEEELSA-N 1 0 210.296 3.060 20 70 BGIDRO CC[C@@H](C)[NH2+][C@H](CC)c1ccc(F)cn1 ZINC000161304125 346168066 /nfs/dbraw/zinc/16/80/66/346168066.db2.gz LODRCCBCZORBMP-MWLCHTKSSA-N 1 0 210.296 3.060 20 70 BGIDRO CC[C@@H]([NH2+][C@@H](C)CC)c1ccc(F)cn1 ZINC000161304241 346167753 /nfs/dbraw/zinc/16/77/53/346167753.db2.gz LODRCCBCZORBMP-GXSJLCMTSA-N 1 0 210.296 3.060 20 70 BGIDRO CC[C@H]([NH2+]Cc1ccccc1)c1ccc(F)cn1 ZINC000161305971 346168697 /nfs/dbraw/zinc/16/86/97/346168697.db2.gz NYQFWAWXJJKJDP-AWEZNQCLSA-N 1 0 244.313 3.462 20 70 BGIDRO CC[C@@H]([NH2+]Cc1ccccc1)c1ccc(F)cn1 ZINC000161306103 346168631 /nfs/dbraw/zinc/16/86/31/346168631.db2.gz NYQFWAWXJJKJDP-CQSZACIVSA-N 1 0 244.313 3.462 20 70 BGIDRO CCCC[NH2+][C@@H](CC)c1ccc(F)cn1 ZINC000161307480 346168545 /nfs/dbraw/zinc/16/85/45/346168545.db2.gz WXGNMTZRHSYKDI-NSHDSACASA-N 1 0 210.296 3.062 20 70 BGIDRO CCCC[NH2+][C@H](CC)c1ccc(F)cn1 ZINC000161307608 535294679 /nfs/dbraw/zinc/29/46/79/535294679.db2.gz WXGNMTZRHSYKDI-LLVKDONJSA-N 1 0 210.296 3.062 20 70 BGIDRO C[C@H]1CCC[C@H](C)[NH+]1CCC[NH+]1CCCCC1 ZINC000161352874 349427651 /nfs/dbraw/zinc/42/76/51/349427651.db2.gz QQOPJHHOYHFZTK-GJZGRUSLSA-N 1 0 238.419 3.125 20 70 BGIDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCC[NH+]1CCCCC1 ZINC000161353001 349427475 /nfs/dbraw/zinc/42/74/75/349427475.db2.gz QQOPJHHOYHFZTK-HUUCEWRRSA-N 1 0 238.419 3.125 20 70 BGIDRO CC(C)[C@@H](C)[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000161354233 387203384 /nfs/dbraw/zinc/20/33/84/387203384.db2.gz QTACGGQMISWJFM-GFCCVEGCSA-N 1 0 235.346 3.491 20 70 BGIDRO CC(C)[C@H](C)[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000161354381 387204563 /nfs/dbraw/zinc/20/45/63/387204563.db2.gz QTACGGQMISWJFM-LBPRGKRZSA-N 1 0 235.346 3.491 20 70 BGIDRO C([NH2+]C1CCC2(CCCC2)CC1)C1CC1 ZINC000161359956 133513172 /nfs/dbraw/zinc/51/31/72/133513172.db2.gz WNIOPLITWLAOMH-UHFFFAOYSA-N 1 0 207.361 3.489 20 70 BGIDRO CC[C@H]([NH2+]CCOc1ccccc1C)C1CC1 ZINC000161361106 323505839 /nfs/dbraw/zinc/50/58/39/323505839.db2.gz QWPRDUZLFXQXCZ-AWEZNQCLSA-N 1 0 233.355 3.152 20 70 BGIDRO CC[C@@H]([NH2+]CCOc1ccccc1C)C1CC1 ZINC000161361251 387202990 /nfs/dbraw/zinc/20/29/90/387202990.db2.gz QWPRDUZLFXQXCZ-CQSZACIVSA-N 1 0 233.355 3.152 20 70 BGIDRO C[C@@H]1C[C@@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC000161365019 346171116 /nfs/dbraw/zinc/17/11/16/346171116.db2.gz SHVJONIFQGXQPQ-YPMHNXCESA-N 1 0 207.361 3.487 20 70 BGIDRO C[C@H]1C[C@@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC000161365158 346171135 /nfs/dbraw/zinc/17/11/35/346171135.db2.gz SHVJONIFQGXQPQ-AAEUAGOBSA-N 1 0 207.361 3.487 20 70 BGIDRO C[C@@H]1C[C@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC000161365288 346171376 /nfs/dbraw/zinc/17/13/76/346171376.db2.gz SHVJONIFQGXQPQ-DGCLKSJQSA-N 1 0 207.361 3.487 20 70 BGIDRO C[C@H]1C[C@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC000161365411 346170942 /nfs/dbraw/zinc/17/09/42/346170942.db2.gz SHVJONIFQGXQPQ-WCQYABFASA-N 1 0 207.361 3.487 20 70 BGIDRO CSCC[NH2+]C1CCC2(CCCC2)CC1 ZINC000161366100 368140326 /nfs/dbraw/zinc/14/03/26/368140326.db2.gz IXCMSSLVQMOLBJ-UHFFFAOYSA-N 1 0 227.417 3.442 20 70 BGIDRO FC(F)C[NH2+]C1CCC2(CCCC2)CC1 ZINC000161368854 346171656 /nfs/dbraw/zinc/17/16/56/346171656.db2.gz LZPGVBWJZVSCLP-UHFFFAOYSA-N 1 0 217.303 3.344 20 70 BGIDRO CC[C@](C)(O)C[N@H+](C)Cc1cc2ccccc2o1 ZINC000161370063 384483396 /nfs/dbraw/zinc/48/33/96/384483396.db2.gz NLSQEXDDESJLTO-HNNXBMFYSA-N 1 0 247.338 3.026 20 70 BGIDRO CC[C@@](C)(O)C[N@H+](C)Cc1cc2ccccc2o1 ZINC000161370171 171177614 /nfs/dbraw/zinc/17/76/14/171177614.db2.gz NLSQEXDDESJLTO-OAHLLOKOSA-N 1 0 247.338 3.026 20 70 BGIDRO CC(C)CNCC(F)(F)c1ccccc1 ZINC000161389846 349439359 /nfs/dbraw/zinc/43/93/59/349439359.db2.gz HODUEXOQDNQGBV-UHFFFAOYSA-N 1 0 213.271 3.024 20 70 BGIDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCCn1ccnc1C ZINC000161412319 398128438 /nfs/dbraw/zinc/12/84/38/398128438.db2.gz NPGCDNCPTIGXKL-CABCVRRESA-N 1 0 249.402 3.140 20 70 BGIDRO CC[C@H]1CCCC[C@@H]1[NH2+]CCCn1ccnc1C ZINC000161412428 323508766 /nfs/dbraw/zinc/50/87/66/323508766.db2.gz NPGCDNCPTIGXKL-GJZGRUSLSA-N 1 0 249.402 3.140 20 70 BGIDRO CC[C@@H]1CCCC[C@H]1[NH2+]CCCn1ccnc1C ZINC000161412555 398128592 /nfs/dbraw/zinc/12/85/92/398128592.db2.gz NPGCDNCPTIGXKL-HUUCEWRRSA-N 1 0 249.402 3.140 20 70 BGIDRO CC[C@H]1CCCC[C@H]1[NH2+]CCCn1ccnc1C ZINC000161412686 323508634 /nfs/dbraw/zinc/50/86/34/323508634.db2.gz NPGCDNCPTIGXKL-LSDHHAIUSA-N 1 0 249.402 3.140 20 70 BGIDRO C[C@@H](C1CC1)[N@H+](C)Cc1csc(C2CC2)n1 ZINC000161461956 349454782 /nfs/dbraw/zinc/45/47/82/349454782.db2.gz DJBYKDKBICXPII-VIFPVBQESA-N 1 0 236.384 3.251 20 70 BGIDRO C[C@H](C1CC1)[N@H+](C)Cc1csc(C2CC2)n1 ZINC000161462087 349454706 /nfs/dbraw/zinc/45/47/06/349454706.db2.gz DJBYKDKBICXPII-SECBINFHSA-N 1 0 236.384 3.251 20 70 BGIDRO CCC(C)(C)[NH2+]Cc1cc(F)cc(F)c1 ZINC000161466930 385083584 /nfs/dbraw/zinc/08/35/84/385083584.db2.gz RWMVTHOTJVSNFJ-UHFFFAOYSA-N 1 0 213.271 3.243 20 70 BGIDRO Cc1nccn1CCCC[N@@H+](C)CC1CCCC1 ZINC000161504640 136277299 /nfs/dbraw/zinc/27/72/99/136277299.db2.gz OQGPVJQFQSHEDH-UHFFFAOYSA-N 1 0 249.402 3.094 20 70 BGIDRO FC(F)(F)CC[NH+]1CCc2ccccc2CC1 ZINC000216676593 371792387 /nfs/dbraw/zinc/79/23/87/371792387.db2.gz YHBQTGIORDVMRV-UHFFFAOYSA-N 1 0 243.272 3.040 20 70 BGIDRO CC(C)C[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000216685376 345743781 /nfs/dbraw/zinc/74/37/81/345743781.db2.gz DLGFAZYBBMONHI-UHFFFAOYSA-N 1 0 215.340 3.432 20 70 BGIDRO CCCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000216730998 387039087 /nfs/dbraw/zinc/03/90/87/387039087.db2.gz HTSSLRTXFFPORH-MRXNPFEDSA-N 1 0 246.398 3.165 20 70 BGIDRO CC(C)CC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000216731063 166841249 /nfs/dbraw/zinc/84/12/49/166841249.db2.gz ORCUVYVOBFJWAL-MRXNPFEDSA-N 1 0 246.398 3.021 20 70 BGIDRO CC[C@@H](CSC)[NH2+]CCCC(C)C ZINC000217330777 384140159 /nfs/dbraw/zinc/14/01/59/384140159.db2.gz PYQHPKUXEXDWGL-NSHDSACASA-N 1 0 203.395 3.154 20 70 BGIDRO CC[C@H](CSC)[NH2+]CCCC(C)C ZINC000217330779 171465442 /nfs/dbraw/zinc/46/54/42/171465442.db2.gz PYQHPKUXEXDWGL-LLVKDONJSA-N 1 0 203.395 3.154 20 70 BGIDRO COc1ccc(C[NH+]2CCCCCCC2)cc1 ZINC000217391403 592106740 /nfs/dbraw/zinc/10/67/40/592106740.db2.gz CWWFSCZNGWPZPC-UHFFFAOYSA-N 1 0 233.355 3.461 20 70 BGIDRO Cc1ccc(-c2ccc3c(c2)CC[NH2+]C3)cc1 ZINC000217481693 411418176 /nfs/dbraw/zinc/41/81/76/411418176.db2.gz XAHOLIARUYNELJ-UHFFFAOYSA-N 1 0 223.319 3.308 20 70 BGIDRO C[C@@H]([NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000217636305 177386963 /nfs/dbraw/zinc/38/69/63/177386963.db2.gz AHUFOPICRCOIHP-OPQQBVKSSA-N 1 0 219.328 3.291 20 70 BGIDRO C[C@@H]([NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000217636394 177351852 /nfs/dbraw/zinc/35/18/52/177351852.db2.gz AHUFOPICRCOIHP-CWSCBRNRSA-N 1 0 219.328 3.291 20 70 BGIDRO COCCCC[NH2+][C@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000217745226 490483079 /nfs/dbraw/zinc/48/30/79/490483079.db2.gz LTUHQASJVKJVDY-KFWWJZLASA-N 1 0 241.419 3.463 20 70 BGIDRO CCC[NH2+]C1(c2ccccc2)CCCC1 ZINC000217748549 363128940 /nfs/dbraw/zinc/12/89/40/363128940.db2.gz BUOWDSAFPNAPPC-UHFFFAOYSA-N 1 0 203.329 3.456 20 70 BGIDRO C(=C\c1ccccc1)\C[NH2+][C@H]1CC=CCC1 ZINC000217785974 256841969 /nfs/dbraw/zinc/84/19/69/256841969.db2.gz ZKRLSKWHKCNQAZ-XMELGKRDSA-N 1 0 213.324 3.398 20 70 BGIDRO C(=C\c1ccccc1)\C[NH2+][C@@H]1CC=CCC1 ZINC000217786049 388572458 /nfs/dbraw/zinc/57/24/58/388572458.db2.gz ZKRLSKWHKCNQAZ-YYRKOSNBSA-N 1 0 213.324 3.398 20 70 BGIDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)n1 ZINC000217800781 134250801 /nfs/dbraw/zinc/25/08/01/134250801.db2.gz HWQZRGYFQJAPCD-DGCLKSJQSA-N 1 0 248.370 3.106 20 70 BGIDRO Cc1ccc(O)c(C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)n1 ZINC000217800850 134250540 /nfs/dbraw/zinc/25/05/40/134250540.db2.gz HWQZRGYFQJAPCD-YPMHNXCESA-N 1 0 248.370 3.106 20 70 BGIDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C ZINC000217863863 388573839 /nfs/dbraw/zinc/57/38/39/388573839.db2.gz OLQHVRZNHAUOHK-CRWXNKLISA-N 1 0 225.376 3.112 20 70 BGIDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1C ZINC000217863943 411367017 /nfs/dbraw/zinc/36/70/17/411367017.db2.gz OLQHVRZNHAUOHK-REWJHTLYSA-N 1 0 225.376 3.112 20 70 BGIDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000217896992 387464265 /nfs/dbraw/zinc/46/42/65/387464265.db2.gz BNIHECGRCOGPOT-SEBNEYGDSA-N 1 0 239.403 3.358 20 70 BGIDRO CC(=O)C[NH2+]C(C)(C)c1ccc2ccccc2c1 ZINC000217901413 411572615 /nfs/dbraw/zinc/57/26/15/411572615.db2.gz ASROBRZQRORKMU-UHFFFAOYSA-N 1 0 241.334 3.254 20 70 BGIDRO C[C@@H]1CCC[C@@H](CNc2ccccn2)C1 ZINC000217921238 134251118 /nfs/dbraw/zinc/25/11/18/134251118.db2.gz KVFVPYLESADDJP-VXGBXAGGSA-N 1 0 204.317 3.320 20 70 BGIDRO C[C@H]1CCC[C@@H](CNc2ccccn2)C1 ZINC000217921317 134251133 /nfs/dbraw/zinc/25/11/33/134251133.db2.gz KVFVPYLESADDJP-NWDGAFQWSA-N 1 0 204.317 3.320 20 70 BGIDRO C[C@@H]1CCC[C@H](CNc2ccccn2)C1 ZINC000217921403 134251093 /nfs/dbraw/zinc/25/10/93/134251093.db2.gz KVFVPYLESADDJP-NEPJUHHUSA-N 1 0 204.317 3.320 20 70 BGIDRO C[C@H]1CCC[C@H](CNc2ccccn2)C1 ZINC000217921490 134250934 /nfs/dbraw/zinc/25/09/34/134250934.db2.gz KVFVPYLESADDJP-RYUDHWBXSA-N 1 0 204.317 3.320 20 70 BGIDRO Cc1cc(NC[C@@H]2CCC[C@@H](C)C2)nc(C)n1 ZINC000217929526 134250882 /nfs/dbraw/zinc/25/08/82/134250882.db2.gz YOLLUOVGWHVRCR-ZWNOBZJWSA-N 1 0 233.359 3.332 20 70 BGIDRO Cc1cc(NC[C@H]2CCC[C@@H](C)C2)nc(C)n1 ZINC000217929591 134250879 /nfs/dbraw/zinc/25/08/79/134250879.db2.gz YOLLUOVGWHVRCR-MFKMUULPSA-N 1 0 233.359 3.332 20 70 BGIDRO Cc1cc(NC[C@@H]2CCC[C@H](C)C2)nc(C)n1 ZINC000217929668 134250944 /nfs/dbraw/zinc/25/09/44/134250944.db2.gz YOLLUOVGWHVRCR-GXFFZTMASA-N 1 0 233.359 3.332 20 70 BGIDRO Cc1cc(NC[C@H]2CCC[C@H](C)C2)nc(C)n1 ZINC000217929737 134251192 /nfs/dbraw/zinc/25/11/92/134251192.db2.gz YOLLUOVGWHVRCR-GWCFXTLKSA-N 1 0 233.359 3.332 20 70 BGIDRO C[C@@H]1CCC[C@@H](CNC(=[NH2+])Nc2ccccc2)C1 ZINC000217998740 592151434 /nfs/dbraw/zinc/15/14/34/592151434.db2.gz ZKSHSXUTIDGRLQ-CHWSQXEVSA-N 1 0 245.370 3.449 20 70 BGIDRO C[C@H]1CCC[C@@H](CNC(=[NH2+])Nc2ccccc2)C1 ZINC000217998807 592151747 /nfs/dbraw/zinc/15/17/47/592151747.db2.gz ZKSHSXUTIDGRLQ-QWHCGFSZSA-N 1 0 245.370 3.449 20 70 BGIDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000218003962 323150468 /nfs/dbraw/zinc/15/04/68/323150468.db2.gz MNNGBCDVRRCJBD-MQYQWHSLSA-N 1 0 225.376 3.112 20 70 BGIDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000218004041 411601453 /nfs/dbraw/zinc/60/14/53/411601453.db2.gz MNNGBCDVRRCJBD-AAVRWANBSA-N 1 0 225.376 3.112 20 70 BGIDRO CCC(C)(CC)[NH2+]Cc1nc(C)c(C)s1 ZINC000218067773 592151483 /nfs/dbraw/zinc/15/14/83/592151483.db2.gz WANPCTAZVDTAQP-UHFFFAOYSA-N 1 0 226.389 3.428 20 70 BGIDRO c1csc(C[NH2+]CCCC2CCCC2)n1 ZINC000218085340 398325423 /nfs/dbraw/zinc/32/54/23/398325423.db2.gz HXSOFNIXNUAEJY-UHFFFAOYSA-N 1 0 224.373 3.203 20 70 BGIDRO CCC(CC)(C[NH2+]CC(C)C)SC ZINC000218118837 592152725 /nfs/dbraw/zinc/15/27/25/592152725.db2.gz IODMQGIMDUGTHA-UHFFFAOYSA-N 1 0 203.395 3.154 20 70 BGIDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1cscn1 ZINC000218235100 176124358 /nfs/dbraw/zinc/12/43/58/176124358.db2.gz AJRKJDPCCWUFJQ-GMTAPVOTSA-N 1 0 224.373 3.372 20 70 BGIDRO CS[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cscn2)C1 ZINC000218263344 592153228 /nfs/dbraw/zinc/15/32/28/592153228.db2.gz BHILCPNGQJBOJF-IVZWLZJFSA-N 1 0 242.413 3.078 20 70 BGIDRO CS[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cscn2)C1 ZINC000218263419 592153720 /nfs/dbraw/zinc/15/37/20/592153720.db2.gz BHILCPNGQJBOJF-LPEHRKFASA-N 1 0 242.413 3.078 20 70 BGIDRO CO[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000218424250 388563657 /nfs/dbraw/zinc/56/36/57/388563657.db2.gz NBOJWLZKXIQIBH-AJNGGQMLSA-N 1 0 239.403 3.360 20 70 BGIDRO CC(C)(C)N1CC[C@H]([NH2+]CC2CCCCC2)C1 ZINC000218429060 411872778 /nfs/dbraw/zinc/87/27/78/411872778.db2.gz SUZOQHCDEMQOTO-AWEZNQCLSA-N 1 0 238.419 3.029 20 70 BGIDRO CC1(C)[C@@H]2CC[C@@]1(C)[C@@H]([NH2+]Cc1ccncc1)C2 ZINC000218510406 535036815 /nfs/dbraw/zinc/03/68/15/535036815.db2.gz BHIOTYZUSPJSGX-YCPHGPKFSA-N 1 0 244.382 3.386 20 70 BGIDRO CC1(C)[C@H]2CC[C@]1(C)[C@@H]([NH2+]Cc1ccncc1)C2 ZINC000218510651 134255724 /nfs/dbraw/zinc/25/57/24/134255724.db2.gz BHIOTYZUSPJSGX-OFQRWUPVSA-N 1 0 244.382 3.386 20 70 BGIDRO CSCC[NH2+][C@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000218560559 372126589 /nfs/dbraw/zinc/12/65/89/372126589.db2.gz QEIFFXNRQWNORB-UPJWGTAASA-N 1 0 229.433 3.400 20 70 BGIDRO CC(C)C(C)(C)CNC(=[NH2+])NC1CCCCC1 ZINC000218744446 592175945 /nfs/dbraw/zinc/17/59/45/592175945.db2.gz RPGLQTZMZCFZST-UHFFFAOYSA-N 1 0 239.407 3.115 20 70 BGIDRO