smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](C)Nc1ccc(N([C@@H](C)CC)[C@@H](C)CC)cc1 ZINC000005114960 170067335 /nfs/dbraw/zinc/06/73/35/170067335.db2.gz QPTPXMZPICHZRY-PMPSAXMXSA-N 0 1 276.468 5.300 10 0 CKAEMN CC[C@@H](C)Nc1ccc(N([C@H](C)CC)[C@@H](C)CC)cc1 ZINC000005114965 170067251 /nfs/dbraw/zinc/06/72/51/170067251.db2.gz QPTPXMZPICHZRY-OAGGEKHMSA-N 0 1 276.468 5.300 10 0 CKAEMN CC[C@H](C)Nc1ccc(N([C@@H](C)CC)[C@@H](C)CC)cc1 ZINC000005115061 170067178 /nfs/dbraw/zinc/06/71/78/170067178.db2.gz QPTPXMZPICHZRY-JYJNAYRXSA-N 0 1 276.468 5.300 10 0 CKAEMN CC[C@@H](C)N(c1ccc(N[C@@H](C)CC)cc1)[C@@H](C)CC ZINC000005115067 170067185 /nfs/dbraw/zinc/06/71/85/170067185.db2.gz QPTPXMZPICHZRY-HRCADAONSA-N 0 1 276.468 5.300 10 0 CKAEMN CC(C)(C)Nc1cc(-c2ccccc2)nc2ccccc21 ZINC000005950355 170161201 /nfs/dbraw/zinc/16/12/01/170161201.db2.gz FVPJOMUUSSQZKZ-UHFFFAOYSA-N 0 1 276.383 5.112 10 0 CKAEMN O=C1CCCC[C@H]1/C1=N\CCCCCCCCCCC1 ZINC000006691852 170226534 /nfs/dbraw/zinc/22/65/34/170226534.db2.gz MTODEPJZNVUEGQ-NCJSADBTSA-N 0 1 277.452 5.101 10 0 CKAEMN O=C1CCCC[C@@H]1/C1=N\CCCCCCCCCCC1 ZINC000006691853 170226549 /nfs/dbraw/zinc/22/65/49/170226549.db2.gz MTODEPJZNVUEGQ-CWFNNOHCSA-N 0 1 277.452 5.101 10 0 CKAEMN CCO[P@](=O)(S[C@H](C)CC)S[C@@H](C)CC ZINC000013827903 567868158 /nfs/dbraw/zinc/86/81/58/567868158.db2.gz KXRPCFINVWWFHQ-HWYHXSKPSA-N 0 1 270.400 5.194 10 0 in-vitro CKAEMN Cc1ccc([C@H](C)N[C@H](C)c2ccc(Cl)c(Cl)c2)o1 ZINC000020549180 262249080 /nfs/dbraw/zinc/24/90/80/262249080.db2.gz NGFPXSRMUNEUMA-MNOVXSKESA-N 0 1 298.213 5.307 10 0 CKAEMN Cc1ccc([C@H](C)N[C@@H](C)c2ccc(Cl)c(Cl)c2)o1 ZINC000020549181 262249222 /nfs/dbraw/zinc/24/92/22/262249222.db2.gz NGFPXSRMUNEUMA-QWRGUYRKSA-N 0 1 298.213 5.307 10 0 CKAEMN Cc1ccc([C@@H](C)N[C@H](C)c2ccc(Cl)c(Cl)c2)o1 ZINC000020549182 262249392 /nfs/dbraw/zinc/24/93/92/262249392.db2.gz NGFPXSRMUNEUMA-GHMZBOCLSA-N 0 1 298.213 5.307 10 0 CKAEMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(Cl)c(Cl)c2)o1 ZINC000020549183 262249100 /nfs/dbraw/zinc/24/91/00/262249100.db2.gz NGFPXSRMUNEUMA-WDEREUQCSA-N 0 1 298.213 5.307 10 0 CKAEMN CC(C)c1ccc(CN[C@@H](C)c2ccccc2Cl)cc1 ZINC000020552034 171247262 /nfs/dbraw/zinc/24/72/62/171247262.db2.gz CDHIKCLEKWOXQZ-AWEZNQCLSA-N 0 1 287.834 5.314 10 0 CKAEMN CC(C)c1ccc(CN[C@H](C)c2ccccc2Cl)cc1 ZINC000020552035 171247581 /nfs/dbraw/zinc/24/75/81/171247581.db2.gz CDHIKCLEKWOXQZ-CQSZACIVSA-N 0 1 287.834 5.314 10 0 CKAEMN C[C@@H](NCc1ccccc1Cl)c1ccc2ccccc2c1 ZINC000020556143 171249888 /nfs/dbraw/zinc/24/98/88/171249888.db2.gz XJKQCCOKBLYWPX-CQSZACIVSA-N 0 1 295.813 5.344 10 0 CKAEMN C[C@H](NCc1ccccc1Cl)c1ccc2ccccc2c1 ZINC000020556144 171249986 /nfs/dbraw/zinc/24/99/86/171249986.db2.gz XJKQCCOKBLYWPX-AWEZNQCLSA-N 0 1 295.813 5.344 10 0 CKAEMN Cc1ccc(CN[C@H](C)c2cc(Cl)ccc2Cl)cc1 ZINC000020565559 171253856 /nfs/dbraw/zinc/25/38/56/171253856.db2.gz FWHVMGDNDBHEPZ-GFCCVEGCSA-N 0 1 294.225 5.153 10 0 CKAEMN Cc1ccc(CN[C@@H](C)c2cc(Cl)ccc2Cl)cc1 ZINC000020565560 171254086 /nfs/dbraw/zinc/25/40/86/171254086.db2.gz FWHVMGDNDBHEPZ-LBPRGKRZSA-N 0 1 294.225 5.153 10 0 CKAEMN C[C@@H](N[C@@H](C)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000020566933 171254652 /nfs/dbraw/zinc/25/46/52/171254652.db2.gz TVVCZOHXFCIZRU-NEPJUHHUSA-N 0 1 294.225 5.405 10 0 CKAEMN C[C@H](N[C@@H](C)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000020566934 171254852 /nfs/dbraw/zinc/25/48/52/171254852.db2.gz TVVCZOHXFCIZRU-RYUDHWBXSA-N 0 1 294.225 5.405 10 0 CKAEMN C[C@@H](N[C@H](C)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000020566935 171254929 /nfs/dbraw/zinc/25/49/29/171254929.db2.gz TVVCZOHXFCIZRU-VXGBXAGGSA-N 0 1 294.225 5.405 10 0 CKAEMN C[C@@H](N[C@@H](C)c1ccccc1)c1cc(Cl)ccc1Cl ZINC000020566936 171254634 /nfs/dbraw/zinc/25/46/34/171254634.db2.gz TVVCZOHXFCIZRU-NWDGAFQWSA-N 0 1 294.225 5.405 10 0 CKAEMN CC(C)c1ccc([C@@H](N)c2cc3cc(Cl)ccc3o2)cc1 ZINC000020592814 171261931 /nfs/dbraw/zinc/26/19/31/171261931.db2.gz AEDRVFYPLFERBA-GOSISDBHSA-N 0 1 299.801 5.258 10 0 CKAEMN CC(C)c1ccc([C@H](N)c2cc3cc(Cl)ccc3o2)cc1 ZINC000020592815 171262194 /nfs/dbraw/zinc/26/21/94/171262194.db2.gz AEDRVFYPLFERBA-SFHVURJKSA-N 0 1 299.801 5.258 10 0 CKAEMN Cc1cccc(CN[C@H](C)c2cc(Cl)ccc2Cl)c1 ZINC000021008136 327940325 /nfs/dbraw/zinc/94/03/25/327940325.db2.gz VLKMDSDNTKLGBG-GFCCVEGCSA-N 0 1 294.225 5.153 10 0 CKAEMN Cc1cccc(CN[C@@H](C)c2cc(Cl)ccc2Cl)c1 ZINC000021008138 327940342 /nfs/dbraw/zinc/94/03/42/327940342.db2.gz VLKMDSDNTKLGBG-LBPRGKRZSA-N 0 1 294.225 5.153 10 0 CKAEMN CC[C@@H](N[C@@H](C)c1ccccc1Cl)c1ccc(F)cc1 ZINC000021009313 171285772 /nfs/dbraw/zinc/28/57/72/171285772.db2.gz KAMADIXYLRNTGK-YVEFUNNKSA-N 0 1 291.797 5.281 10 0 CKAEMN CC[C@H](N[C@@H](C)c1ccccc1Cl)c1ccc(F)cc1 ZINC000021009314 171285881 /nfs/dbraw/zinc/28/58/81/171285881.db2.gz KAMADIXYLRNTGK-SJCJKPOMSA-N 0 1 291.797 5.281 10 0 CKAEMN CC[C@@H](N[C@H](C)c1ccccc1Cl)c1ccc(F)cc1 ZINC000021009315 171286140 /nfs/dbraw/zinc/28/61/40/171286140.db2.gz KAMADIXYLRNTGK-SJKOYZFVSA-N 0 1 291.797 5.281 10 0 CKAEMN CC[C@H](N[C@H](C)c1ccccc1Cl)c1ccc(F)cc1 ZINC000021009316 171285827 /nfs/dbraw/zinc/28/58/27/171285827.db2.gz KAMADIXYLRNTGK-PXAZEXFGSA-N 0 1 291.797 5.281 10 0 CKAEMN Cc1ccccc1CN[C@H](C)c1ccc(Cl)cc1Cl ZINC000021010948 171286833 /nfs/dbraw/zinc/28/68/33/171286833.db2.gz QJVDJHXFLSUBTJ-GFCCVEGCSA-N 0 1 294.225 5.153 10 0 CKAEMN Cc1ccccc1CN[C@@H](C)c1ccc(Cl)cc1Cl ZINC000021010949 171286846 /nfs/dbraw/zinc/28/68/46/171286846.db2.gz QJVDJHXFLSUBTJ-LBPRGKRZSA-N 0 1 294.225 5.153 10 0 CKAEMN Cc1cc([C@H](C)N[C@H](C)c2ccccc2Cl)c(C)s1 ZINC000021024389 171290932 /nfs/dbraw/zinc/29/09/32/171290932.db2.gz QCOIDGSZMDYOFO-NEPJUHHUSA-N 0 1 293.863 5.430 10 0 CKAEMN Cc1cc([C@H](C)N[C@@H](C)c2ccccc2Cl)c(C)s1 ZINC000021024395 171290692 /nfs/dbraw/zinc/29/06/92/171290692.db2.gz QCOIDGSZMDYOFO-RYUDHWBXSA-N 0 1 293.863 5.430 10 0 CKAEMN Cc1cc([C@@H](C)N[C@H](C)c2ccccc2Cl)c(C)s1 ZINC000021024402 171290895 /nfs/dbraw/zinc/29/08/95/171290895.db2.gz QCOIDGSZMDYOFO-VXGBXAGGSA-N 0 1 293.863 5.430 10 0 CKAEMN Cc1cc([C@@H](C)N[C@@H](C)c2ccccc2Cl)c(C)s1 ZINC000021024409 171290925 /nfs/dbraw/zinc/29/09/25/171290925.db2.gz QCOIDGSZMDYOFO-NWDGAFQWSA-N 0 1 293.863 5.430 10 0 CKAEMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccccc2Cl)cc1C ZINC000021043150 171293683 /nfs/dbraw/zinc/29/36/83/171293683.db2.gz JFYMBFIJGJUXIH-CABCVRRESA-N 0 1 287.834 5.369 10 0 CKAEMN Cc1ccc([C@H](C)N[C@@H](C)c2ccccc2Cl)cc1C ZINC000021043156 171293939 /nfs/dbraw/zinc/29/39/39/171293939.db2.gz JFYMBFIJGJUXIH-GJZGRUSLSA-N 0 1 287.834 5.369 10 0 CKAEMN Cc1ccc([C@@H](C)N[C@H](C)c2ccccc2Cl)cc1C ZINC000021043162 171293661 /nfs/dbraw/zinc/29/36/61/171293661.db2.gz JFYMBFIJGJUXIH-HUUCEWRRSA-N 0 1 287.834 5.369 10 0 CKAEMN Cc1ccc([C@H](C)N[C@H](C)c2ccccc2Cl)cc1C ZINC000021043168 171293782 /nfs/dbraw/zinc/29/37/82/171293782.db2.gz JFYMBFIJGJUXIH-LSDHHAIUSA-N 0 1 287.834 5.369 10 0 CKAEMN C[C@@H](N[C@@H](C)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000021055138 171295623 /nfs/dbraw/zinc/29/56/23/171295623.db2.gz AVIKFNMUFZWJQZ-NEPJUHHUSA-N 0 1 294.225 5.405 10 0 CKAEMN C[C@H](N[C@@H](C)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000021055143 171295346 /nfs/dbraw/zinc/29/53/46/171295346.db2.gz AVIKFNMUFZWJQZ-RYUDHWBXSA-N 0 1 294.225 5.405 10 0 CKAEMN C[C@@H](N[C@H](C)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000021055147 171295371 /nfs/dbraw/zinc/29/53/71/171295371.db2.gz AVIKFNMUFZWJQZ-VXGBXAGGSA-N 0 1 294.225 5.405 10 0 CKAEMN C[C@@H](N[C@@H](C)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000021055151 171295671 /nfs/dbraw/zinc/29/56/71/171295671.db2.gz AVIKFNMUFZWJQZ-NWDGAFQWSA-N 0 1 294.225 5.405 10 0 CKAEMN Cc1cccc(CN[C@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000021059036 171296533 /nfs/dbraw/zinc/29/65/33/171296533.db2.gz HPTPEBVPFLAKIX-GFCCVEGCSA-N 0 1 294.225 5.153 10 0 CKAEMN Cc1cccc(CN[C@@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000021059040 171296435 /nfs/dbraw/zinc/29/64/35/171296435.db2.gz HPTPEBVPFLAKIX-LBPRGKRZSA-N 0 1 294.225 5.153 10 0 CKAEMN CC(C)c1ccc([C@@H](C)NCc2ccccc2Cl)cc1 ZINC000021509730 171309709 /nfs/dbraw/zinc/30/97/09/171309709.db2.gz WBOBBCPMYNKQQX-CQSZACIVSA-N 0 1 287.834 5.314 10 0 CKAEMN CC(C)c1ccc([C@H](C)NCc2ccccc2Cl)cc1 ZINC000021509732 171309757 /nfs/dbraw/zinc/30/97/57/171309757.db2.gz WBOBBCPMYNKQQX-AWEZNQCLSA-N 0 1 287.834 5.314 10 0 CKAEMN C[C@@H](NCc1ccccc1Cl)c1ccc2c(c1)CCCC2 ZINC000021513991 171311598 /nfs/dbraw/zinc/31/15/98/171311598.db2.gz VAWXJZJOLPKKGK-CQSZACIVSA-N 0 1 299.845 5.070 10 0 CKAEMN C[C@H](NCc1ccccc1Cl)c1ccc2c(c1)CCCC2 ZINC000021513993 171311684 /nfs/dbraw/zinc/31/16/84/171311684.db2.gz VAWXJZJOLPKKGK-AWEZNQCLSA-N 0 1 299.845 5.070 10 0 CKAEMN C[C@@H](N[C@@H](C)c1cc(F)ccc1F)c1ccc(Cl)cc1 ZINC000021518401 171314438 /nfs/dbraw/zinc/31/44/38/171314438.db2.gz NWQNACSZVCTKPH-MNOVXSKESA-N 0 1 295.760 5.030 10 0 CKAEMN C[C@H](N[C@@H](C)c1cc(F)ccc1F)c1ccc(Cl)cc1 ZINC000021518402 171314694 /nfs/dbraw/zinc/31/46/94/171314694.db2.gz NWQNACSZVCTKPH-QWRGUYRKSA-N 0 1 295.760 5.030 10 0 CKAEMN C[C@@H](N[C@H](C)c1cc(F)ccc1F)c1ccc(Cl)cc1 ZINC000021518403 171314678 /nfs/dbraw/zinc/31/46/78/171314678.db2.gz NWQNACSZVCTKPH-GHMZBOCLSA-N 0 1 295.760 5.030 10 0 CKAEMN C[C@@H](N[C@@H](C)c1ccc(Cl)cc1)c1cc(F)ccc1F ZINC000021518404 171314434 /nfs/dbraw/zinc/31/44/34/171314434.db2.gz NWQNACSZVCTKPH-WDEREUQCSA-N 0 1 295.760 5.030 10 0 CKAEMN C[C@@H](N[C@@H](C)c1ccccc1Cl)c1ccc2c(c1)CCC2 ZINC000021808060 171328278 /nfs/dbraw/zinc/32/82/78/171328278.db2.gz LURUUKYUWGGELY-KGLIPLIRSA-N 0 1 299.845 5.241 10 0 CKAEMN C[C@H](N[C@@H](C)c1ccccc1Cl)c1ccc2c(c1)CCC2 ZINC000021808062 171328261 /nfs/dbraw/zinc/32/82/61/171328261.db2.gz LURUUKYUWGGELY-KBPBESRZSA-N 0 1 299.845 5.241 10 0 CKAEMN C[C@@H](N[C@H](C)c1ccccc1Cl)c1ccc2c(c1)CCC2 ZINC000021808065 171328123 /nfs/dbraw/zinc/32/81/23/171328123.db2.gz LURUUKYUWGGELY-ZIAGYGMSSA-N 0 1 299.845 5.241 10 0 CKAEMN C[C@@H](N[C@@H](C)c1ccc2c(c1)CCC2)c1ccccc1Cl ZINC000021808067 171328303 /nfs/dbraw/zinc/32/83/03/171328303.db2.gz LURUUKYUWGGELY-UONOGXRCSA-N 0 1 299.845 5.241 10 0 CKAEMN Cc1ccccc1[C@@H](C)NCc1ccc(Cl)cc1Cl ZINC000021810130 262458917 /nfs/dbraw/zinc/45/89/17/262458917.db2.gz BRSUFLMOQKQAFJ-GFCCVEGCSA-N 0 1 294.225 5.153 10 0 CKAEMN C[C@@H](N[C@@H](C)c1ccccc1Cl)c1cccc(Cl)c1 ZINC000021815679 171331866 /nfs/dbraw/zinc/33/18/66/171331866.db2.gz YALJKXVOLLGESN-NEPJUHHUSA-N 0 1 294.225 5.405 10 0 CKAEMN C[C@H](N[C@@H](C)c1ccccc1Cl)c1cccc(Cl)c1 ZINC000021815681 171332191 /nfs/dbraw/zinc/33/21/91/171332191.db2.gz YALJKXVOLLGESN-RYUDHWBXSA-N 0 1 294.225 5.405 10 0 CKAEMN C[C@@H](N[C@H](C)c1ccccc1Cl)c1cccc(Cl)c1 ZINC000021815683 171332050 /nfs/dbraw/zinc/33/20/50/171332050.db2.gz YALJKXVOLLGESN-VXGBXAGGSA-N 0 1 294.225 5.405 10 0 CKAEMN C[C@@H](N[C@@H](C)c1cccc(Cl)c1)c1ccccc1Cl ZINC000021815684 171332138 /nfs/dbraw/zinc/33/21/38/171332138.db2.gz YALJKXVOLLGESN-NWDGAFQWSA-N 0 1 294.225 5.405 10 0 CKAEMN Cc1ccccc1[C@@H](C)NCc1cccc(Cl)c1Cl ZINC000021816219 171332352 /nfs/dbraw/zinc/33/23/52/171332352.db2.gz KLAUIQMCHMLSDK-GFCCVEGCSA-N 0 1 294.225 5.153 10 0 CKAEMN Cc1ccccc1[C@H](C)NCc1cccc(Cl)c1Cl ZINC000021816221 171332465 /nfs/dbraw/zinc/33/24/65/171332465.db2.gz KLAUIQMCHMLSDK-LBPRGKRZSA-N 0 1 294.225 5.153 10 0 CKAEMN CCc1ccc([C@@H](C)N[C@@H](C)c2ccccc2Cl)cc1 ZINC000021816434 171332376 /nfs/dbraw/zinc/33/23/76/171332376.db2.gz ITNIRPVNVQNHKL-KGLIPLIRSA-N 0 1 287.834 5.314 10 0 CKAEMN CCc1ccc([C@H](C)N[C@@H](C)c2ccccc2Cl)cc1 ZINC000021816436 171332418 /nfs/dbraw/zinc/33/24/18/171332418.db2.gz ITNIRPVNVQNHKL-KBPBESRZSA-N 0 1 287.834 5.314 10 0 CKAEMN CCc1ccc([C@@H](C)N[C@H](C)c2ccccc2Cl)cc1 ZINC000021816438 171332476 /nfs/dbraw/zinc/33/24/76/171332476.db2.gz ITNIRPVNVQNHKL-ZIAGYGMSSA-N 0 1 287.834 5.314 10 0 CKAEMN CCc1ccc([C@H](C)N[C@H](C)c2ccccc2Cl)cc1 ZINC000021816440 171332298 /nfs/dbraw/zinc/33/22/98/171332298.db2.gz ITNIRPVNVQNHKL-UONOGXRCSA-N 0 1 287.834 5.314 10 0 CKAEMN C[C@@H](N[C@@H](C)c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000022152485 171359711 /nfs/dbraw/zinc/35/97/11/171359711.db2.gz GHKCQAPYTMOBDU-NEPJUHHUSA-N 0 1 294.225 5.405 10 0 CKAEMN C[C@H](N[C@@H](C)c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000022152488 171359562 /nfs/dbraw/zinc/35/95/62/171359562.db2.gz GHKCQAPYTMOBDU-RYUDHWBXSA-N 0 1 294.225 5.405 10 0 CKAEMN C[C@@H](N[C@H](C)c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000022152491 171359603 /nfs/dbraw/zinc/35/96/03/171359603.db2.gz GHKCQAPYTMOBDU-VXGBXAGGSA-N 0 1 294.225 5.405 10 0 CKAEMN C[C@@H](N[C@@H](C)c1ccc(Cl)cc1)c1ccccc1Cl ZINC000022152494 171359404 /nfs/dbraw/zinc/35/94/04/171359404.db2.gz GHKCQAPYTMOBDU-NWDGAFQWSA-N 0 1 294.225 5.405 10 0 CKAEMN Oc1c(Cl)cc(Cl)cc1-c1ccc(Cl)cc1 ZINC000032003905 171683501 /nfs/dbraw/zinc/68/35/01/171683501.db2.gz GJWIPOLKTCFKGR-UHFFFAOYSA-N 0 1 273.546 5.019 10 0 CKAEMN CCN[C@@H](c1ccc(C)cc1)c1cccc(Cl)c1Cl ZINC000035541171 172248638 /nfs/dbraw/zinc/24/86/38/172248638.db2.gz WRHLYZLNQIDHCM-INIZCTEOSA-N 0 1 294.225 5.001 10 0 CKAEMN CCN[C@H](c1ccc(C)cc1)c1cccc(Cl)c1Cl ZINC000035541172 172248442 /nfs/dbraw/zinc/24/84/42/172248442.db2.gz WRHLYZLNQIDHCM-MRXNPFEDSA-N 0 1 294.225 5.001 10 0 CKAEMN CCCN[C@@H](c1ccccc1)c1c(Cl)cccc1Cl ZINC000035576191 172272625 /nfs/dbraw/zinc/27/26/25/172272625.db2.gz IGUFKYPRYZRGNB-INIZCTEOSA-N 0 1 294.225 5.082 10 0 CKAEMN CCCN[C@H](c1ccccc1)c1c(Cl)cccc1Cl ZINC000035576194 172272662 /nfs/dbraw/zinc/27/26/62/172272662.db2.gz IGUFKYPRYZRGNB-MRXNPFEDSA-N 0 1 294.225 5.082 10 0 CKAEMN CCCC[C@H](N[C@@H](C)c1ccco1)c1ccc(F)cc1 ZINC000035738650 172392363 /nfs/dbraw/zinc/39/23/63/172392363.db2.gz UCJJPULVVIOTRY-BBRMVZONSA-N 0 1 275.367 5.001 10 0 CKAEMN CCCC[C@@H](N[C@@H](C)c1ccco1)c1ccc(F)cc1 ZINC000035738651 172392859 /nfs/dbraw/zinc/39/28/59/172392859.db2.gz UCJJPULVVIOTRY-XJKSGUPXSA-N 0 1 275.367 5.001 10 0 CKAEMN CCCC[C@H](N[C@H](C)c1ccco1)c1ccc(F)cc1 ZINC000035738652 172392735 /nfs/dbraw/zinc/39/27/35/172392735.db2.gz UCJJPULVVIOTRY-CJNGLKHVSA-N 0 1 275.367 5.001 10 0 CKAEMN CCCC[C@@H](N[C@H](C)c1ccco1)c1ccc(F)cc1 ZINC000035738653 172392554 /nfs/dbraw/zinc/39/25/54/172392554.db2.gz UCJJPULVVIOTRY-CZUORRHYSA-N 0 1 275.367 5.001 10 0 CKAEMN CCC[C@H](N[C@@H](C)c1ccco1)c1ccc(Cl)cc1 ZINC000035738654 172392805 /nfs/dbraw/zinc/39/28/05/172392805.db2.gz JGTXFTDEQNGPBD-WFASDCNBSA-N 0 1 277.795 5.125 10 0 CKAEMN CCC[C@@H](N[C@@H](C)c1ccco1)c1ccc(Cl)cc1 ZINC000035738655 172392807 /nfs/dbraw/zinc/39/28/07/172392807.db2.gz JGTXFTDEQNGPBD-SWLSCSKDSA-N 0 1 277.795 5.125 10 0 CKAEMN CCC[C@H](N[C@H](C)c1ccco1)c1ccc(Cl)cc1 ZINC000035738656 172392764 /nfs/dbraw/zinc/39/27/64/172392764.db2.gz JGTXFTDEQNGPBD-DOMZBBRYSA-N 0 1 277.795 5.125 10 0 CKAEMN CCC[C@@H](N[C@H](C)c1ccco1)c1ccc(Cl)cc1 ZINC000035738657 172392414 /nfs/dbraw/zinc/39/24/14/172392414.db2.gz JGTXFTDEQNGPBD-IUODEOHRSA-N 0 1 277.795 5.125 10 0 CKAEMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc3ccccc3c2)o1 ZINC000036960286 326890646 /nfs/dbraw/zinc/89/06/46/326890646.db2.gz BCKDUIRWTNLNGS-LSDHHAIUSA-N 0 1 279.383 5.153 10 0 CKAEMN Cc1ccc([C@H](C)N[C@@H](C)c2ccc3ccccc3c2)o1 ZINC000036960288 326891124 /nfs/dbraw/zinc/89/11/24/326891124.db2.gz BCKDUIRWTNLNGS-GJZGRUSLSA-N 0 1 279.383 5.153 10 0 CKAEMN Cc1ccc([C@H](C)N[C@H](C)c2ccc3ccccc3c2)o1 ZINC000036960293 326891680 /nfs/dbraw/zinc/89/16/80/326891680.db2.gz BCKDUIRWTNLNGS-CABCVRRESA-N 0 1 279.383 5.153 10 0 CKAEMN Cc1cc([C@@H](C)N[C@@H](C)c2ccc(Cl)s2)c(C)o1 ZINC000036992453 328638881 /nfs/dbraw/zinc/63/88/81/328638881.db2.gz AFBLSKQSRYVSKH-ZJUUUORDSA-N 0 1 283.824 5.023 10 0 CKAEMN Cc1cc([C@@H](C)N[C@H](C)c2ccc(Cl)s2)c(C)o1 ZINC000036992455 328638939 /nfs/dbraw/zinc/63/89/39/328638939.db2.gz AFBLSKQSRYVSKH-NXEZZACHSA-N 0 1 283.824 5.023 10 0 CKAEMN Cc1cc([C@H](C)N[C@H](C)c2ccc(Cl)s2)c(C)o1 ZINC000036992456 328638815 /nfs/dbraw/zinc/63/88/15/328638815.db2.gz AFBLSKQSRYVSKH-VHSXEESVSA-N 0 1 283.824 5.023 10 0 CKAEMN CCCCCCN[C@@H](c1ccco1)c1ccc(Cl)s1 ZINC000037232617 173051516 /nfs/dbraw/zinc/05/15/16/173051516.db2.gz HINJEVJHJVIOMN-HNNXBMFYSA-N 0 1 297.851 5.254 10 0 CKAEMN CCCCCCN[C@H](c1ccco1)c1ccc(Cl)s1 ZINC000037232618 173051160 /nfs/dbraw/zinc/05/11/60/173051160.db2.gz HINJEVJHJVIOMN-OAHLLOKOSA-N 0 1 297.851 5.254 10 0 CKAEMN C[C@H](N[C@@H](C)c1ccc(F)cc1Cl)c1cccc(F)c1 ZINC000037234852 333522237 /nfs/dbraw/zinc/52/22/37/333522237.db2.gz MZBYFFNTPXKDNF-QWRGUYRKSA-N 0 1 295.760 5.030 10 0 CKAEMN C[C@@H](N[C@@H](C)c1ccc(F)cc1Cl)c1cccc(F)c1 ZINC000037234854 333522100 /nfs/dbraw/zinc/52/21/00/333522100.db2.gz MZBYFFNTPXKDNF-MNOVXSKESA-N 0 1 295.760 5.030 10 0 CKAEMN C[C@@H](N[C@H](C)c1ccc(F)cc1Cl)c1cccc(F)c1 ZINC000037234858 333522250 /nfs/dbraw/zinc/52/22/50/333522250.db2.gz MZBYFFNTPXKDNF-GHMZBOCLSA-N 0 1 295.760 5.030 10 0 CKAEMN CC[C@H](N[C@@H](C)c1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000037260226 173069988 /nfs/dbraw/zinc/06/99/88/173069988.db2.gz RCSGFPXRWPMXOZ-HZMBPMFUSA-N 0 1 298.213 5.388 10 0 CKAEMN CC[C@@H](N[C@@H](C)c1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000037260228 173070033 /nfs/dbraw/zinc/07/00/33/173070033.db2.gz RCSGFPXRWPMXOZ-IINYFYTJSA-N 0 1 298.213 5.388 10 0 CKAEMN CC[C@H](N[C@H](C)c1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000037260230 173069736 /nfs/dbraw/zinc/06/97/36/173069736.db2.gz RCSGFPXRWPMXOZ-YGRLFVJLSA-N 0 1 298.213 5.388 10 0 CKAEMN CC[C@@H](N[C@H](C)c1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000037260232 173069897 /nfs/dbraw/zinc/06/98/97/173069897.db2.gz RCSGFPXRWPMXOZ-QMTHXVAHSA-N 0 1 298.213 5.388 10 0 CKAEMN Cc1ccccc1CN[C@H](C)c1cc(Cl)ccc1Cl ZINC000037718879 333536445 /nfs/dbraw/zinc/53/64/45/333536445.db2.gz DCSYWQLKPCGOBQ-GFCCVEGCSA-N 0 1 294.225 5.153 10 0 CKAEMN Cc1ccc([C@@H](C)NCc2cc(-c3ccccc3)cs2)o1 ZINC000038030815 174023452 /nfs/dbraw/zinc/02/34/52/174023452.db2.gz OKVMYJPJINXDSC-CQSZACIVSA-N 0 1 297.423 5.167 10 0 CKAEMN Cc1ccc([C@H](C)NCc2cc(-c3ccccc3)cs2)o1 ZINC000038030816 174023198 /nfs/dbraw/zinc/02/31/98/174023198.db2.gz OKVMYJPJINXDSC-AWEZNQCLSA-N 0 1 297.423 5.167 10 0 CKAEMN Cc1cc(Nc2ccc(C)c(Cl)c2)c2ccccc2n1 ZINC000040400773 174253314 /nfs/dbraw/zinc/25/33/14/174253314.db2.gz HUGRUUIJOXXFAW-UHFFFAOYSA-N 0 1 282.774 5.249 10 0 CKAEMN CC[C@@H](C)c1ccc(Nc2cc(C)nc3ccccc32)cc1 ZINC000040400797 174253444 /nfs/dbraw/zinc/25/34/44/174253444.db2.gz FQBDNFVCNOOUSO-CQSZACIVSA-N 0 1 290.410 5.222 10 0 CKAEMN CC[C@H](C)c1ccc(Nc2cc(C)nc3ccccc32)cc1 ZINC000040400799 174253381 /nfs/dbraw/zinc/25/33/81/174253381.db2.gz FQBDNFVCNOOUSO-AWEZNQCLSA-N 0 1 290.410 5.800 10 0 CKAEMN CC[C@H](N[C@@H](C)c1ccc(F)cc1Cl)c1cccs1 ZINC000049529500 328367970 /nfs/dbraw/zinc/36/79/70/328367970.db2.gz IKXZIWBVGGRKPK-HZMBPMFUSA-N 0 1 297.826 5.343 10 0 CKAEMN CC[C@@H](N[C@@H](C)c1ccc(F)cc1Cl)c1cccs1 ZINC000049529501 328368015 /nfs/dbraw/zinc/36/80/15/328368015.db2.gz IKXZIWBVGGRKPK-IINYFYTJSA-N 0 1 297.826 5.343 10 0 CKAEMN CC[C@H](N[C@H](C)c1ccc(F)cc1Cl)c1cccs1 ZINC000049529502 328367933 /nfs/dbraw/zinc/36/79/33/328367933.db2.gz IKXZIWBVGGRKPK-YGRLFVJLSA-N 0 1 297.826 5.343 10 0 CKAEMN CC[C@@H](N[C@H](C)c1ccc(F)cc1Cl)c1cccs1 ZINC000049529503 328368159 /nfs/dbraw/zinc/36/81/59/328368159.db2.gz IKXZIWBVGGRKPK-QMTHXVAHSA-N 0 1 297.826 5.343 10 0 CKAEMN CC[C@@H](N[C@@H](C)c1ccc(F)cc1Cl)c1ccccc1 ZINC000051627009 328626110 /nfs/dbraw/zinc/62/61/10/328626110.db2.gz PQTJVVIKYPLYAA-YVEFUNNKSA-N 0 1 291.797 5.281 10 0 CKAEMN CC[C@H](N[C@H](C)c1ccc(F)cc1Cl)c1ccccc1 ZINC000051627011 328626122 /nfs/dbraw/zinc/62/61/22/328626122.db2.gz PQTJVVIKYPLYAA-PXAZEXFGSA-N 0 1 291.797 5.281 10 0 CKAEMN CC[C@@H](N[C@H](C)c1ccc(F)cc1Cl)c1ccccc1 ZINC000051627013 328625961 /nfs/dbraw/zinc/62/59/61/328625961.db2.gz PQTJVVIKYPLYAA-SJKOYZFVSA-N 0 1 291.797 5.281 10 0 CKAEMN CC[C@H](N[C@@H](CC)c1cccc(Cl)c1)c1ccco1 ZINC000054084186 522707048 /nfs/dbraw/zinc/70/70/48/522707048.db2.gz WPNHYEXFAYCVDG-GJZGRUSLSA-N 0 1 277.795 5.125 10 0 CKAEMN CCc1ccc2nccc(Nc3ccccc3CC)c2c1 ZINC000065005417 524061063 /nfs/dbraw/zinc/06/10/63/524061063.db2.gz CIOTUHXSMANMGR-UHFFFAOYSA-N 0 1 276.383 5.103 10 0 CKAEMN Clc1ccc2nc(-c3cccc(Cl)c3Cl)[nH]c2c1 ZINC000070238373 567885752 /nfs/dbraw/zinc/88/57/52/567885752.db2.gz SAFAIYYJWJYVJK-UHFFFAOYSA-N 0 1 297.572 5.190 10 0 CKAEMN Clc1ccc2nc(-c3ccc(Cl)c(Cl)c3)[nH]c2c1 ZINC000070238374 567885445 /nfs/dbraw/zinc/88/54/45/567885445.db2.gz PMFXYRQLOWPPNO-UHFFFAOYSA-N 0 1 297.572 5.190 10 0 CKAEMN CC(C)(C)c1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000070270076 567886071 /nfs/dbraw/zinc/88/60/71/567886071.db2.gz NKXZAGOKTANLBO-UHFFFAOYSA-N 0 1 284.790 5.181 10 0 CKAEMN Clc1ccc2nc(-c3cccc4ccccc43)[nH]c2c1 ZINC000070270080 567885947 /nfs/dbraw/zinc/88/59/47/567885947.db2.gz ACWQFAGPVYJQTN-UHFFFAOYSA-N 0 1 278.742 5.037 10 0 CKAEMN Cc1ccc(-c2nc3cc(C)c(Cl)cc3[nH]2)cc1Cl ZINC000073639009 567893472 /nfs/dbraw/zinc/89/34/72/567893472.db2.gz XNGGLQYTUAWULG-UHFFFAOYSA-N 0 1 291.181 5.154 10 0 CKAEMN Cc1cc2nc(-c3cccc4ccccc43)[nH]c2cc1Cl ZINC000073639186 567893402 /nfs/dbraw/zinc/89/34/02/567893402.db2.gz AUPKBLUPXKCFQJ-UHFFFAOYSA-N 0 1 292.769 5.345 10 0 CKAEMN Cc1ccc2nc(-c3cccc4c(Cl)cccc34)[nH]c2c1 ZINC000073639188 567893365 /nfs/dbraw/zinc/89/33/65/567893365.db2.gz WUKYZWPLWDWKDW-UHFFFAOYSA-N 0 1 292.769 5.345 10 0 CKAEMN Cc1cc2nc(-c3ccc4ccccc4c3)[nH]c2cc1Cl ZINC000073639197 567893643 /nfs/dbraw/zinc/89/36/43/567893643.db2.gz RLECFWGXIKGOQO-UHFFFAOYSA-N 0 1 292.769 5.345 10 0 CKAEMN Cc1cc2nc(-c3ccc(C(C)(C)C)cc3)[nH]c2cc1Cl ZINC000073639773 567893252 /nfs/dbraw/zinc/89/32/52/567893252.db2.gz MVJHJUYELJCSIM-UHFFFAOYSA-N 0 1 298.817 5.489 10 0 CKAEMN Cc1cc2nc(-c3ccc(C(C)C)cc3)[nH]c2cc1Cl ZINC000073639775 567893028 /nfs/dbraw/zinc/89/30/28/567893028.db2.gz FBYQLLWATJIBEG-UHFFFAOYSA-N 0 1 284.790 5.315 10 0 CKAEMN Clc1ccc2nc(-c3cc(Cl)ccc3Cl)[nH]c2c1 ZINC000073639906 567893039 /nfs/dbraw/zinc/89/30/39/567893039.db2.gz OWCPDOPSKYLPJT-UHFFFAOYSA-N 0 1 297.572 5.190 10 0 CKAEMN CCc1ccc([C@H](N)c2oc3ccc(Cl)cc3c2C)cc1 ZINC000077069819 177184843 /nfs/dbraw/zinc/18/48/43/177184843.db2.gz RMPQRUILGBUZGV-KRWDZBQOSA-N 0 1 299.801 5.005 10 0 CKAEMN CCc1ccc([C@@H](N)c2oc3ccc(Cl)cc3c2C)cc1 ZINC000077069820 177184939 /nfs/dbraw/zinc/18/49/39/177184939.db2.gz RMPQRUILGBUZGV-QGZVFWFLSA-N 0 1 299.801 5.005 10 0 CKAEMN Cc1c2cc(Cl)ccc2oc1[C@@H](N)c1ccc(C)cc1C ZINC000077069821 177184711 /nfs/dbraw/zinc/18/47/11/177184711.db2.gz VYKLGFCCOQKAEC-KRWDZBQOSA-N 0 1 299.801 5.060 10 0 CKAEMN Cc1c2cc(Cl)ccc2oc1[C@H](N)c1ccc(C)cc1C ZINC000077069822 177184735 /nfs/dbraw/zinc/18/47/35/177184735.db2.gz VYKLGFCCOQKAEC-QGZVFWFLSA-N 0 1 299.801 5.060 10 0 CKAEMN Cc1c2cc(Cl)ccc2oc1[C@@H](N)c1ccc(C)c(C)c1 ZINC000077069823 177184659 /nfs/dbraw/zinc/18/46/59/177184659.db2.gz UDXNHZGXTZNVQW-KRWDZBQOSA-N 0 1 299.801 5.060 10 0 CKAEMN Cc1c2cc(Cl)ccc2oc1[C@H](N)c1ccc(C)c(C)c1 ZINC000077069824 177185075 /nfs/dbraw/zinc/18/50/75/177185075.db2.gz UDXNHZGXTZNVQW-QGZVFWFLSA-N 0 1 299.801 5.060 10 0 CKAEMN Cc1c2cc(Cl)ccc2oc1[C@@H](N)c1cc(C)ccc1C ZINC000077069825 177184676 /nfs/dbraw/zinc/18/46/76/177184676.db2.gz MYZRFWXAZJDSTK-KRWDZBQOSA-N 0 1 299.801 5.060 10 0 CKAEMN Cc1c2cc(Cl)ccc2oc1[C@H](N)c1cc(C)ccc1C ZINC000077069826 177185030 /nfs/dbraw/zinc/18/50/30/177185030.db2.gz MYZRFWXAZJDSTK-QGZVFWFLSA-N 0 1 299.801 5.060 10 0 CKAEMN C[C@H](N[C@@H](C)c1cc(F)cc(F)c1)c1cccc(Cl)c1 ZINC000094826185 265259431 /nfs/dbraw/zinc/25/94/31/265259431.db2.gz UCEGITMCWLYXDB-QWRGUYRKSA-N 0 1 295.760 5.030 10 0 CKAEMN C[C@@H](N[C@@H](C)c1cccc(Cl)c1)c1cc(F)cc(F)c1 ZINC000094826187 265260112 /nfs/dbraw/zinc/26/01/12/265260112.db2.gz UCEGITMCWLYXDB-WDEREUQCSA-N 0 1 295.760 5.030 10 0 CKAEMN Cc1cccc([C@@H](C)N[C@H](C)c2ccc(F)cc2Cl)c1 ZINC000157198333 330770416 /nfs/dbraw/zinc/77/04/16/330770416.db2.gz HFTKDCJWXUQHHH-CHWSQXEVSA-N 0 1 291.797 5.199 10 0 CKAEMN CC[C@H](N[C@@H](C)c1ccc(Cl)s1)c1ccccc1F ZINC000163464027 331042489 /nfs/dbraw/zinc/04/24/89/331042489.db2.gz WPLJUBPNIBYPFU-GWCFXTLKSA-N 0 1 297.826 5.343 10 0 CKAEMN CC[C@@H](N[C@@H](C)c1ccc(Cl)s1)c1ccccc1F ZINC000163464120 331042561 /nfs/dbraw/zinc/04/25/61/331042561.db2.gz WPLJUBPNIBYPFU-GXFFZTMASA-N 0 1 297.826 5.343 10 0 CKAEMN CC[C@H](N[C@H](C)c1ccc(Cl)s1)c1ccccc1F ZINC000163464203 331042566 /nfs/dbraw/zinc/04/25/66/331042566.db2.gz WPLJUBPNIBYPFU-MFKMUULPSA-N 0 1 297.826 5.343 10 0 CKAEMN CC[C@@H](N[C@H](C)c1ccc(Cl)s1)c1ccccc1F ZINC000163464304 331042544 /nfs/dbraw/zinc/04/25/44/331042544.db2.gz WPLJUBPNIBYPFU-ZWNOBZJWSA-N 0 1 297.826 5.343 10 0 CKAEMN Cc1ccc([C@@H](C)N[C@@H](C)c2csc(Cl)c2)cc1F ZINC000230410431 333318307 /nfs/dbraw/zinc/31/83/07/333318307.db2.gz BJTGGKYUIMETKO-MNOVXSKESA-N 0 1 297.826 5.261 10 0 CKAEMN Cc1ccc([C@H](C)N[C@@H](C)c2csc(Cl)c2)cc1F ZINC000230410435 333318219 /nfs/dbraw/zinc/31/82/19/333318219.db2.gz BJTGGKYUIMETKO-QWRGUYRKSA-N 0 1 297.826 5.261 10 0 CKAEMN Cc1ccc([C@@H](C)N[C@H](C)c2csc(Cl)c2)cc1F ZINC000230410438 333318291 /nfs/dbraw/zinc/31/82/91/333318291.db2.gz BJTGGKYUIMETKO-GHMZBOCLSA-N 0 1 297.826 5.261 10 0 CKAEMN Cc1ccc([C@H](C)N[C@H](C)c2csc(Cl)c2)cc1F ZINC000230410441 333318329 /nfs/dbraw/zinc/31/83/29/333318329.db2.gz BJTGGKYUIMETKO-WDEREUQCSA-N 0 1 297.826 5.261 10 0 CKAEMN