smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1[C@@H](c2ccccc2)CC(O)(c2ccccc2)C[C@H]1c1ccccc1 ZINC000003082424 564004165 /nfs/dbraw/zinc/00/41/65/564004165.db2.gz MQPSFALRBZMFQW-VSGJHWFKSA-N 0 3 343.470 5.082 10 0 EKAEHN O=C(c1ccc(Cl)cc1)[C@H](CN1CCCC1)c1ccc(Cl)cc1 ZINC000003600872 210063196 /nfs/dbraw/zinc/06/31/96/210063196.db2.gz CFDMSYBKKMEHJR-GOSISDBHSA-N 0 3 348.273 5.056 10 0 EKAEHN O=C(c1ccc(Cl)cc1)[C@@H](CN1CCCC1)c1ccc(Cl)cc1 ZINC000003600875 210063888 /nfs/dbraw/zinc/06/38/88/210063888.db2.gz CFDMSYBKKMEHJR-SFHVURJKSA-N 0 3 348.273 5.056 10 0 EKAEHN CC1=CCN(CCCC(=O)c2ccc(F)cc2)[C@@H](c2ccccc2)C1 ZINC000003607141 210065316 /nfs/dbraw/zinc/06/53/16/210065316.db2.gz JVSSMGTTWKDJFY-OAQYLSRUSA-N 0 3 337.438 5.182 10 0 EKAEHN CC1=CCN(CCCC(=O)c2ccc(F)cc2)[C@H](c2ccccc2)C1 ZINC000003607142 210064681 /nfs/dbraw/zinc/06/46/81/210064681.db2.gz JVSSMGTTWKDJFY-NRFANRHFSA-N 0 3 337.438 5.182 10 0 EKAEHN Cc1ccccc1Oc1ccccc1O[C@@H](C)CN1CCCCC1 ZINC000003610812 210066415 /nfs/dbraw/zinc/06/64/15/210066415.db2.gz XXOBKJANUBJQMC-SFHVURJKSA-N 0 3 325.452 5.041 10 0 EKAEHN Cc1ccccc1Oc1ccccc1O[C@H](C)CN1CCCCC1 ZINC000003610814 201360148 /nfs/dbraw/zinc/36/01/48/201360148.db2.gz XXOBKJANUBJQMC-GOSISDBHSA-N 0 3 325.452 5.041 10 0 EKAEHN c1ccc(C2=C(CN3CCCCC3)CCSc3ccccc32)cc1 ZINC000003619739 201360757 /nfs/dbraw/zinc/36/07/57/201360757.db2.gz XPMHIFSUJOBICL-UHFFFAOYSA-N 0 3 335.516 5.470 10 0 EKAEHN C[C@@H](N)c1cc(F)ccc1Oc1ccc(Cl)cc1Br ZINC000019873762 212078361 /nfs/dbraw/zinc/07/83/61/212078361.db2.gz ROEPKOCRQKUPKF-MRVPVSSYSA-N 0 3 344.611 5.054 10 0 EKAEHN C[C@H](N)c1cc(F)ccc1Oc1ccc(Cl)cc1Br ZINC000019873763 212079062 /nfs/dbraw/zinc/07/90/62/212079062.db2.gz ROEPKOCRQKUPKF-QMMMGPOBSA-N 0 3 344.611 5.054 10 0 EKAEHN C[C@@H](N)c1c(F)cccc1Oc1ccc(Cl)cc1Br ZINC000019873767 212078451 /nfs/dbraw/zinc/07/84/51/212078451.db2.gz HDKSMSDSTXBLHO-MRVPVSSYSA-N 0 3 344.611 5.054 10 0 EKAEHN C[C@H](N)c1c(F)cccc1Oc1ccc(Cl)cc1Br ZINC000019873769 212078704 /nfs/dbraw/zinc/07/87/04/212078704.db2.gz HDKSMSDSTXBLHO-QMMMGPOBSA-N 0 3 344.611 5.054 10 0 EKAEHN C[C@@H](N[C@@H](C)c1cc2cc(Br)ccc2o1)c1ccccc1 ZINC000019878625 212078345 /nfs/dbraw/zinc/07/83/45/212078345.db2.gz DWCUETSVARLOGO-OLZOCXBDSA-N 0 3 344.252 5.607 10 0 EKAEHN C[C@H](N[C@@H](C)c1ccccc1)c1cc2cc(Br)ccc2o1 ZINC000019878629 212078159 /nfs/dbraw/zinc/07/81/59/212078159.db2.gz DWCUETSVARLOGO-STQMWFEESA-N 0 3 344.252 5.607 10 0 EKAEHN C[C@@H](N[C@H](C)c1ccccc1)c1cc2cc(Br)ccc2o1 ZINC000019878631 212078247 /nfs/dbraw/zinc/07/82/47/212078247.db2.gz DWCUETSVARLOGO-CHWSQXEVSA-N 0 3 344.252 5.607 10 0 EKAEHN C[C@@H](N[C@@H](C)c1ccccc1)c1cc2cc(Br)ccc2o1 ZINC000019878633 212078555 /nfs/dbraw/zinc/07/85/55/212078555.db2.gz DWCUETSVARLOGO-QWHCGFSZSA-N 0 3 344.252 5.607 10 0 EKAEHN Cc1ccc(CN[C@H](C)c2cc3cc(Br)ccc3o2)cc1 ZINC000019962623 212090847 /nfs/dbraw/zinc/09/08/47/212090847.db2.gz FLIIUCPLJILJBV-CYBMUJFWSA-N 0 3 344.252 5.355 10 0 EKAEHN Cc1ccc(CN[C@@H](C)c2cc3cc(Br)ccc3o2)cc1 ZINC000019962625 212090712 /nfs/dbraw/zinc/09/07/12/212090712.db2.gz FLIIUCPLJILJBV-ZDUSSCGKSA-N 0 3 344.252 5.355 10 0 EKAEHN C[C@@H](N[C@@H](C)c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000020121907 212104119 /nfs/dbraw/zinc/10/41/19/212104119.db2.gz DOIANOPGJSQDHY-NEPJUHHUSA-N 0 3 338.676 5.514 10 0 EKAEHN C[C@H](N[C@@H](C)c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000020121908 212104390 /nfs/dbraw/zinc/10/43/90/212104390.db2.gz DOIANOPGJSQDHY-RYUDHWBXSA-N 0 3 338.676 5.514 10 0 EKAEHN C[C@@H](N[C@H](C)c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000020121909 212104122 /nfs/dbraw/zinc/10/41/22/212104122.db2.gz DOIANOPGJSQDHY-VXGBXAGGSA-N 0 3 338.676 5.514 10 0 EKAEHN C[C@@H](N[C@@H](C)c1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000020121910 212104265 /nfs/dbraw/zinc/10/42/65/212104265.db2.gz DOIANOPGJSQDHY-NWDGAFQWSA-N 0 3 338.676 5.514 10 0 EKAEHN C[C@@H](NCc1ccc(Br)s1)c1ccc(Cl)cc1 ZINC000020122005 212104434 /nfs/dbraw/zinc/10/44/34/212104434.db2.gz MWOQKWWJQIYTBF-SECBINFHSA-N 0 3 330.678 5.015 10 0 EKAEHN C[C@H](NCc1ccc(Br)s1)c1ccc(Cl)cc1 ZINC000020122006 212104590 /nfs/dbraw/zinc/10/45/90/212104590.db2.gz MWOQKWWJQIYTBF-VIFPVBQESA-N 0 3 330.678 5.015 10 0 EKAEHN C[C@@H](N[C@@H](C)c1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000020124198 212103747 /nfs/dbraw/zinc/10/37/47/212103747.db2.gz MXAQAGKSDGAQDA-NEPJUHHUSA-N 0 3 338.676 5.514 10 0 EKAEHN C[C@H](N[C@@H](C)c1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000020124199 212103995 /nfs/dbraw/zinc/10/39/95/212103995.db2.gz MXAQAGKSDGAQDA-RYUDHWBXSA-N 0 3 338.676 5.514 10 0 EKAEHN C[C@@H](N[C@H](C)c1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000020124200 212104139 /nfs/dbraw/zinc/10/41/39/212104139.db2.gz MXAQAGKSDGAQDA-VXGBXAGGSA-N 0 3 338.676 5.514 10 0 EKAEHN C[C@@H](N[C@@H](C)c1ccc(Br)cc1)c1cccc(Cl)c1 ZINC000020124201 212104274 /nfs/dbraw/zinc/10/42/74/212104274.db2.gz MXAQAGKSDGAQDA-NWDGAFQWSA-N 0 3 338.676 5.514 10 0 EKAEHN C[C@@H](NCc1ccc(F)c(Br)c1)c1cccc(Cl)c1 ZINC000020124296 212104664 /nfs/dbraw/zinc/10/46/64/212104664.db2.gz LKGUZOKAGVXOLU-SNVBAGLBSA-N 0 3 342.639 5.092 10 0 EKAEHN C[C@H](NCc1ccc(F)c(Br)c1)c1cccc(Cl)c1 ZINC000020124297 212104050 /nfs/dbraw/zinc/10/40/50/212104050.db2.gz LKGUZOKAGVXOLU-JTQLQIEISA-N 0 3 342.639 5.092 10 0 EKAEHN C[C@@H](N)c1cc(F)ccc1Oc1ccc(Br)cc1Cl ZINC000020373062 212123705 /nfs/dbraw/zinc/12/37/05/212123705.db2.gz DWAWWGYEOVJANJ-MRVPVSSYSA-N 0 3 344.611 5.054 10 0 EKAEHN C[C@H](N)c1cc(F)ccc1Oc1ccc(Br)cc1Cl ZINC000020373066 212123607 /nfs/dbraw/zinc/12/36/07/212123607.db2.gz DWAWWGYEOVJANJ-QMMMGPOBSA-N 0 3 344.611 5.054 10 0 EKAEHN CC(C)(C)N[C@@H]1C=C(C(C)(C)C)Sc2nc(-c3ccccc3)cn21 ZINC000020467475 212135162 /nfs/dbraw/zinc/13/51/62/212135162.db2.gz HVLSVJBOEMCRJD-KRWDZBQOSA-N 0 3 341.524 5.473 10 0 EKAEHN CC(C)(C)N[C@H]1C=C(C(C)(C)C)Sc2nc(-c3ccccc3)cn21 ZINC000020467477 202043631 /nfs/dbraw/zinc/04/36/31/202043631.db2.gz HVLSVJBOEMCRJD-QGZVFWFLSA-N 0 3 341.524 5.473 10 0 EKAEHN Cc1oc(-c2cccs2)nc1CN1CCC[C@@H](c2ccccc2)C1 ZINC000020906597 212185823 /nfs/dbraw/zinc/18/58/23/212185823.db2.gz WKEISMYEINQZEG-QGZVFWFLSA-N 0 3 338.476 5.091 10 0 EKAEHN Cc1oc(-c2cccs2)nc1CN1CCC[C@H](c2ccccc2)C1 ZINC000020906599 212185733 /nfs/dbraw/zinc/18/57/33/212185733.db2.gz WKEISMYEINQZEG-KRWDZBQOSA-N 0 3 338.476 5.091 10 0 EKAEHN COc1c(Br)cc(Cl)cc1[C@@H](N)CCC1CCCC1 ZINC000021815846 212253535 /nfs/dbraw/zinc/25/35/35/212253535.db2.gz FTTLGDAKLWTYAH-AWEZNQCLSA-N 0 3 346.696 5.081 10 0 EKAEHN COc1c(Br)cc(Cl)cc1[C@H](N)CCC1CCCC1 ZINC000021815848 212253796 /nfs/dbraw/zinc/25/37/96/212253796.db2.gz FTTLGDAKLWTYAH-CQSZACIVSA-N 0 3 346.696 5.081 10 0 EKAEHN CCCCC[C@@H](CC(C)=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000021987397 212268202 /nfs/dbraw/zinc/26/82/02/212268202.db2.gz NSYMRMKDBSWOMZ-QHCPKHFHSA-N 0 3 337.507 5.617 10 0 EKAEHN CCCCC[C@H](CC(C)=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000021987399 212268876 /nfs/dbraw/zinc/26/88/76/212268876.db2.gz NSYMRMKDBSWOMZ-HSZRJFAPSA-N 0 3 337.507 5.617 10 0 EKAEHN CC(C)c1ccc([C@@H](C)NCc2ccc(Br)s2)cc1 ZINC000034996150 213004021 /nfs/dbraw/zinc/00/40/21/213004021.db2.gz CHMYBRMHZVFBGO-GFCCVEGCSA-N 0 3 338.314 5.485 10 0 EKAEHN CC(C)c1ccc([C@H](C)NCc2ccc(Br)s2)cc1 ZINC000034996151 213004162 /nfs/dbraw/zinc/00/41/62/213004162.db2.gz CHMYBRMHZVFBGO-LBPRGKRZSA-N 0 3 338.314 5.485 10 0 EKAEHN CC(C)[C@H](NCc1cc(Br)cs1)c1ccc(F)cc1 ZINC000035016608 213005496 /nfs/dbraw/zinc/00/54/96/213005496.db2.gz UYRZENOKJZVORT-HNNXBMFYSA-N 0 3 342.277 5.137 10 0 EKAEHN CC(C)[C@@H](NCc1cc(Br)cs1)c1ccc(F)cc1 ZINC000035016610 213005556 /nfs/dbraw/zinc/00/55/56/213005556.db2.gz UYRZENOKJZVORT-OAHLLOKOSA-N 0 3 342.277 5.137 10 0 EKAEHN CC(C)[C@H](NCc1cc(Br)ccc1F)c1cccs1 ZINC000035017349 213004961 /nfs/dbraw/zinc/00/49/61/213004961.db2.gz UCFCGLYPYWHPFC-HNNXBMFYSA-N 0 3 342.277 5.137 10 0 EKAEHN CC(C)[C@@H](NCc1cc(Br)ccc1F)c1cccs1 ZINC000035017351 213005736 /nfs/dbraw/zinc/00/57/36/213005736.db2.gz UCFCGLYPYWHPFC-OAHLLOKOSA-N 0 3 342.277 5.137 10 0 EKAEHN CC(C)[C@H](NCc1ccc(Br)cc1F)c1cccs1 ZINC000035017357 213005849 /nfs/dbraw/zinc/00/58/49/213005849.db2.gz XHSBTJIHQPOQRG-HNNXBMFYSA-N 0 3 342.277 5.137 10 0 EKAEHN CC(C)[C@H](NCc1ccc(Br)s1)c1cccs1 ZINC000035017378 213005317 /nfs/dbraw/zinc/00/53/17/213005317.db2.gz KVBQSNCAPRKDKK-ZDUSSCGKSA-N 0 3 330.316 5.059 10 0 EKAEHN CC(C)[C@@H](NCc1ccc(Br)s1)c1cccs1 ZINC000035017379 213005828 /nfs/dbraw/zinc/00/58/28/213005828.db2.gz KVBQSNCAPRKDKK-CYBMUJFWSA-N 0 3 330.316 5.059 10 0 EKAEHN CC(C)[C@H](NCc1ccc(F)c(Br)c1)c1cccs1 ZINC000035017400 213005436 /nfs/dbraw/zinc/00/54/36/213005436.db2.gz UWWWOFFFPNZCDZ-HNNXBMFYSA-N 0 3 342.277 5.137 10 0 EKAEHN CC(C)c1ccc([C@@H](C)NCc2csc(Br)c2)cc1 ZINC000035255988 213015730 /nfs/dbraw/zinc/01/57/30/213015730.db2.gz HCNNXQIXAFLODD-GFCCVEGCSA-N 0 3 338.314 5.485 10 0 EKAEHN CC(C)c1ccc([C@H](C)NCc2csc(Br)c2)cc1 ZINC000035255989 213016027 /nfs/dbraw/zinc/01/60/27/213016027.db2.gz HCNNXQIXAFLODD-LBPRGKRZSA-N 0 3 338.314 5.485 10 0 EKAEHN CC(C)[C@H](NCc1csc(Br)c1)c1ccc(F)cc1 ZINC000035256084 213015369 /nfs/dbraw/zinc/01/53/69/213015369.db2.gz OEXKTAFCDQAMEU-HNNXBMFYSA-N 0 3 342.277 5.137 10 0 EKAEHN CC(C)[C@@H](NCc1csc(Br)c1)c1ccc(F)cc1 ZINC000035256085 213015521 /nfs/dbraw/zinc/01/55/21/213015521.db2.gz OEXKTAFCDQAMEU-OAHLLOKOSA-N 0 3 342.277 5.137 10 0 EKAEHN CN[C@@H](c1ccc(Br)s1)c1ccc(CC(C)C)cc1 ZINC000035459458 213029913 /nfs/dbraw/zinc/02/99/13/213029913.db2.gz FHUPDHPQKIWUED-MRXNPFEDSA-N 0 3 338.314 5.018 10 0 EKAEHN CCc1ccc([C@H](NC)c2cc(Br)ccc2Cl)s1 ZINC000035460577 213030123 /nfs/dbraw/zinc/03/01/23/213030123.db2.gz GORQXLNCYRRQOC-CQSZACIVSA-N 0 3 344.705 5.035 10 0 EKAEHN CCc1ccc([C@@H](NC)c2cc(Br)ccc2Cl)s1 ZINC000035460580 213029744 /nfs/dbraw/zinc/02/97/44/213029744.db2.gz GORQXLNCYRRQOC-AWEZNQCLSA-N 0 3 344.705 5.035 10 0 EKAEHN CN[C@@H](c1ccc(Br)cc1)c1cc(Cl)cc(Cl)c1 ZINC000035462937 213030566 /nfs/dbraw/zinc/03/05/66/213030566.db2.gz LFICUTJXZQDXCC-AWEZNQCLSA-N 0 3 345.067 5.065 10 0 EKAEHN CN[C@H](c1ccc(Br)cc1)c1cc(Cl)cc(Cl)c1 ZINC000035462940 213029889 /nfs/dbraw/zinc/02/98/89/213029889.db2.gz LFICUTJXZQDXCC-CQSZACIVSA-N 0 3 345.067 5.065 10 0 EKAEHN CN[C@@H](c1ccc(C)cc1C)c1cc(Br)ccc1Cl ZINC000035468035 213030367 /nfs/dbraw/zinc/03/03/67/213030367.db2.gz HOUSUINGISSFEN-INIZCTEOSA-N 0 3 338.676 5.028 10 0 EKAEHN CN[C@H](c1ccc(C)cc1C)c1cc(Br)ccc1Cl ZINC000035468037 213031087 /nfs/dbraw/zinc/03/10/87/213031087.db2.gz HOUSUINGISSFEN-MRXNPFEDSA-N 0 3 338.676 5.028 10 0 EKAEHN CN[C@H](c1ccc(Br)s1)c1ccc(C(C)(C)C)cc1 ZINC000035493395 213031861 /nfs/dbraw/zinc/03/18/61/213031861.db2.gz WMHFFQIRHFNSEH-HNNXBMFYSA-N 0 3 338.314 5.117 10 0 EKAEHN CN[C@@H](c1ccc(Br)s1)c1ccc(C(C)(C)C)cc1 ZINC000035493398 213032841 /nfs/dbraw/zinc/03/28/41/213032841.db2.gz WMHFFQIRHFNSEH-OAHLLOKOSA-N 0 3 338.314 5.117 10 0 EKAEHN CN[C@@H](c1ccc(Br)s1)c1csc2ccccc21 ZINC000035499468 213032798 /nfs/dbraw/zinc/03/27/98/213032798.db2.gz MQMZQKFNLHZUMR-CQSZACIVSA-N 0 3 338.295 5.034 10 0 EKAEHN CN[C@H](c1ccc(Br)s1)c1csc2ccccc21 ZINC000035499470 213032095 /nfs/dbraw/zinc/03/20/95/213032095.db2.gz MQMZQKFNLHZUMR-AWEZNQCLSA-N 0 3 338.295 5.034 10 0 EKAEHN CN[C@@H](c1cccc(Br)c1)c1ccc(Cl)c(Cl)c1 ZINC000035501520 213031808 /nfs/dbraw/zinc/03/18/08/213031808.db2.gz NRTDGCOJQILOAF-AWEZNQCLSA-N 0 3 345.067 5.065 10 0 EKAEHN CN[C@H](c1cccc(Br)c1)c1ccc(Cl)c(Cl)c1 ZINC000035501521 213032062 /nfs/dbraw/zinc/03/20/62/213032062.db2.gz NRTDGCOJQILOAF-CQSZACIVSA-N 0 3 345.067 5.065 10 0 EKAEHN CCCCC[C@@H](NCC)c1cc(Cl)cc(Br)c1OC ZINC000035509763 213034223 /nfs/dbraw/zinc/03/42/23/213034223.db2.gz RFPKQVTUXJBJII-CQSZACIVSA-N 0 3 348.712 5.342 10 0 EKAEHN CCN[C@@H](CC(C)(C)C)c1cc(Cl)cc(Br)c1OC ZINC000035509817 213033269 /nfs/dbraw/zinc/03/32/69/213033269.db2.gz VQTXHNJBXYPVTA-ZDUSSCGKSA-N 0 3 348.712 5.198 10 0 EKAEHN CCN[C@@H](c1ccc(C)s1)c1cc(Br)ccc1Cl ZINC000035509970 213035310 /nfs/dbraw/zinc/03/53/10/213035310.db2.gz ADFBGJRHDPGXDY-CQSZACIVSA-N 0 3 344.705 5.171 10 0 EKAEHN CCN[C@H](c1ccc(C)s1)c1cc(Br)ccc1Cl ZINC000035509972 213035808 /nfs/dbraw/zinc/03/58/08/213035808.db2.gz ADFBGJRHDPGXDY-AWEZNQCLSA-N 0 3 344.705 5.171 10 0 EKAEHN CCN[C@@H](c1ccc(Br)s1)c1c(C)cc(C)cc1C ZINC000035547685 213037174 /nfs/dbraw/zinc/03/71/74/213037174.db2.gz XVRLISDWVQBBNI-INIZCTEOSA-N 0 3 338.314 5.135 10 0 EKAEHN CCN[C@H](c1ccc(Br)s1)c1c(C)cc(C)cc1C ZINC000035547687 213037983 /nfs/dbraw/zinc/03/79/83/213037983.db2.gz XVRLISDWVQBBNI-MRXNPFEDSA-N 0 3 338.314 5.135 10 0 EKAEHN CCCc1ccc([C@H](NCC)c2ccc(Br)s2)cc1 ZINC000035550226 213037971 /nfs/dbraw/zinc/03/79/71/213037971.db2.gz QTHAHGDDVDUTNZ-INIZCTEOSA-N 0 3 338.314 5.162 10 0 EKAEHN CCCc1ccc([C@@H](NCC)c2ccc(Br)s2)cc1 ZINC000035550229 213037438 /nfs/dbraw/zinc/03/74/38/213037438.db2.gz QTHAHGDDVDUTNZ-MRXNPFEDSA-N 0 3 338.314 5.162 10 0 EKAEHN CCN[C@@H](c1ccc(Cl)s1)c1cc(F)cc(Br)c1 ZINC000035552902 213037110 /nfs/dbraw/zinc/03/71/10/213037110.db2.gz VTHHUQQHSHWASD-CYBMUJFWSA-N 0 3 348.668 5.002 10 0 EKAEHN CCN[C@H](c1ccc(Cl)s1)c1cc(F)cc(Br)c1 ZINC000035552906 213037480 /nfs/dbraw/zinc/03/74/80/213037480.db2.gz VTHHUQQHSHWASD-ZDUSSCGKSA-N 0 3 348.668 5.002 10 0 EKAEHN CCN[C@@H](Cc1ccc(Cl)cc1)c1cc(Cl)sc1Cl ZINC000035559279 213038001 /nfs/dbraw/zinc/03/80/01/213038001.db2.gz SKZLOEBXHQNYFZ-LBPRGKRZSA-N 0 3 334.699 5.602 10 0 EKAEHN CCN[C@H](Cc1ccc(Cl)cc1)c1cc(Cl)sc1Cl ZINC000035559281 213037557 /nfs/dbraw/zinc/03/75/57/213037557.db2.gz SKZLOEBXHQNYFZ-GFCCVEGCSA-N 0 3 334.699 5.602 10 0 EKAEHN CCCN[C@H](c1ccc(C)s1)c1ccc(Br)cc1F ZINC000035573109 213039314 /nfs/dbraw/zinc/03/93/14/213039314.db2.gz ORMPHJACUYUAGR-HNNXBMFYSA-N 0 3 342.277 5.047 10 0 EKAEHN CCCN[C@H](c1ccc(C)s1)c1cc(F)ccc1Br ZINC000035573236 213039278 /nfs/dbraw/zinc/03/92/78/213039278.db2.gz GYXDTENLCRKINU-HNNXBMFYSA-N 0 3 342.277 5.047 10 0 EKAEHN CCCN[C@H](c1ccc(C)s1)c1ccc(F)cc1Br ZINC000035573257 213039578 /nfs/dbraw/zinc/03/95/78/213039578.db2.gz LLLDYMYYWYUKRZ-HNNXBMFYSA-N 0 3 342.277 5.047 10 0 EKAEHN CCCN[C@@H](c1ccc(C)s1)c1ccc(F)cc1Br ZINC000035573258 213038965 /nfs/dbraw/zinc/03/89/65/213038965.db2.gz LLLDYMYYWYUKRZ-OAHLLOKOSA-N 0 3 342.277 5.047 10 0 EKAEHN CCCN[C@@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000035574437 213039482 /nfs/dbraw/zinc/03/94/82/213039482.db2.gz NNJMFGHFBGHBCD-MRXNPFEDSA-N 0 3 338.676 5.192 10 0 EKAEHN CCCN[C@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000035574439 213038538 /nfs/dbraw/zinc/03/85/38/213038538.db2.gz NNJMFGHFBGHBCD-INIZCTEOSA-N 0 3 338.676 5.192 10 0 EKAEHN CCCN[C@@H](c1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000035575243 213038528 /nfs/dbraw/zinc/03/85/28/213038528.db2.gz GUCFJDROISFZMQ-INIZCTEOSA-N 0 3 338.676 5.192 10 0 EKAEHN CCCN[C@H](c1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000035575245 213039565 /nfs/dbraw/zinc/03/95/65/213039565.db2.gz GUCFJDROISFZMQ-MRXNPFEDSA-N 0 3 338.676 5.192 10 0 EKAEHN CCCN[C@@H](c1ccccc1)c1cc(Br)ccc1Cl ZINC000035575629 213039236 /nfs/dbraw/zinc/03/92/36/213039236.db2.gz LYRLPJHXBLEBOZ-INIZCTEOSA-N 0 3 338.676 5.192 10 0 EKAEHN CCCN[C@H](c1ccccc1)c1cc(Br)ccc1Cl ZINC000035575633 213039067 /nfs/dbraw/zinc/03/90/67/213039067.db2.gz LYRLPJHXBLEBOZ-MRXNPFEDSA-N 0 3 338.676 5.192 10 0 EKAEHN CCCN[C@H](c1ccc(Br)s1)c1ccc(C)cc1C ZINC000035579433 213038814 /nfs/dbraw/zinc/03/88/14/213038814.db2.gz NTGYPMRQCKQFRS-INIZCTEOSA-N 0 3 338.314 5.216 10 0 EKAEHN CCCN[C@@H](c1cccs1)c1cc(Br)ccc1Cl ZINC000035581100 213038650 /nfs/dbraw/zinc/03/86/50/213038650.db2.gz KRCVOOCTYIRKHB-CQSZACIVSA-N 0 3 344.705 5.253 10 0 EKAEHN CCCN[C@H](c1cccs1)c1cc(Br)ccc1Cl ZINC000035581101 202307012 /nfs/dbraw/zinc/30/70/12/202307012.db2.gz KRCVOOCTYIRKHB-AWEZNQCLSA-N 0 3 344.705 5.253 10 0 EKAEHN CCCN[C@@H](c1ccc(Br)s1)c1cc(C)sc1C ZINC000035583240 213039440 /nfs/dbraw/zinc/03/94/40/213039440.db2.gz QCHFMECYAOEYKO-CQSZACIVSA-N 0 3 344.343 5.278 10 0 EKAEHN CCCN[C@H](c1ccc(Br)s1)c1cc(C)sc1C ZINC000035583242 213039295 /nfs/dbraw/zinc/03/92/95/213039295.db2.gz QCHFMECYAOEYKO-AWEZNQCLSA-N 0 3 344.343 5.278 10 0 EKAEHN CCCN[C@H](c1cc(C)sc1C)c1ccccc1Br ZINC000035583426 213039143 /nfs/dbraw/zinc/03/91/43/213039143.db2.gz RVFFNNXGVGPQMY-INIZCTEOSA-N 0 3 338.314 5.216 10 0 EKAEHN CCCN[C@@H](c1cc(C)sc1C)c1ccccc1Br ZINC000035583427 213038610 /nfs/dbraw/zinc/03/86/10/213038610.db2.gz RVFFNNXGVGPQMY-MRXNPFEDSA-N 0 3 338.314 5.216 10 0 EKAEHN CCCN[C@H](c1ccc(Cl)s1)c1cccc(Br)c1 ZINC000035583574 213039516 /nfs/dbraw/zinc/03/95/16/213039516.db2.gz NVQCXQFXOUCZBT-AWEZNQCLSA-N 0 3 344.705 5.253 10 0 EKAEHN CCCN[C@@H](c1ccc(Cl)s1)c1cccc(Br)c1 ZINC000035583575 213038881 /nfs/dbraw/zinc/03/88/81/213038881.db2.gz NVQCXQFXOUCZBT-CQSZACIVSA-N 0 3 344.705 5.253 10 0 EKAEHN CCCN[C@H](c1ccc(Cl)s1)c1ccc(Br)cc1 ZINC000035583692 213039392 /nfs/dbraw/zinc/03/93/92/213039392.db2.gz UESCXGZZOBDFON-AWEZNQCLSA-N 0 3 344.705 5.253 10 0 EKAEHN CCCN[C@@H](c1ccc(Cl)s1)c1ccc(Br)cc1 ZINC000035583693 213039468 /nfs/dbraw/zinc/03/94/68/213039468.db2.gz UESCXGZZOBDFON-CQSZACIVSA-N 0 3 344.705 5.253 10 0 EKAEHN CCC[C@H](N)c1ccc(-c2cc(Br)ccc2F)s1 ZINC000036753089 202331176 /nfs/dbraw/zinc/33/11/76/202331176.db2.gz VIQFXXRMKQEUEH-LBPRGKRZSA-N 0 3 328.250 5.117 10 0 EKAEHN CCC[C@@H](N)c1ccc(-c2cc(Br)ccc2F)s1 ZINC000036753091 202330580 /nfs/dbraw/zinc/33/05/80/202330580.db2.gz VIQFXXRMKQEUEH-GFCCVEGCSA-N 0 3 328.250 5.117 10 0 EKAEHN CCN[C@H](c1ccc(Br)s1)c1ccc(C(C)C)cc1 ZINC000036820101 213121829 /nfs/dbraw/zinc/12/18/29/213121829.db2.gz SEUIWSHARQZHFV-INIZCTEOSA-N 0 3 338.314 5.333 10 0 EKAEHN CCN[C@@H](c1ccc(Br)s1)c1ccc(C(C)C)cc1 ZINC000036820102 213121376 /nfs/dbraw/zinc/12/13/76/213121376.db2.gz SEUIWSHARQZHFV-MRXNPFEDSA-N 0 3 338.314 5.333 10 0 EKAEHN CCN[C@@H](c1ccc(Cl)cc1)c1ccc(Br)cc1C ZINC000036830061 213120697 /nfs/dbraw/zinc/12/06/97/213120697.db2.gz CHESUZGNSLIPTN-INIZCTEOSA-N 0 3 338.676 5.110 10 0 EKAEHN CCN[C@H](c1ccc(Cl)cc1)c1ccc(Br)cc1C ZINC000036830064 213121357 /nfs/dbraw/zinc/12/13/57/213121357.db2.gz CHESUZGNSLIPTN-MRXNPFEDSA-N 0 3 338.676 5.110 10 0 EKAEHN CCN[C@H](c1cc(C)sc1C)c1ccc(Br)cc1C ZINC000036830153 213121682 /nfs/dbraw/zinc/12/16/82/213121682.db2.gz RXCXQDOWHIEYEA-INIZCTEOSA-N 0 3 338.314 5.135 10 0 EKAEHN CC[C@H](NCc1cccc(Br)c1)c1cccc(Cl)c1 ZINC000036921284 213126520 /nfs/dbraw/zinc/12/65/20/213126520.db2.gz PNWHHYVXLYVSBS-INIZCTEOSA-N 0 3 338.676 5.343 10 0 EKAEHN CC[C@@H](NCc1cccc(Br)c1)c1cccc(Cl)c1 ZINC000036921285 213126588 /nfs/dbraw/zinc/12/65/88/213126588.db2.gz PNWHHYVXLYVSBS-MRXNPFEDSA-N 0 3 338.676 5.343 10 0 EKAEHN CCC[C@H](N)c1ccc(-c2ccc(F)cc2Br)s1 ZINC000036927957 213126552 /nfs/dbraw/zinc/12/65/52/213126552.db2.gz AQFJLNBPEKRTFK-LBPRGKRZSA-N 0 3 328.250 5.117 10 0 EKAEHN CCC[C@@H](N)c1ccc(-c2ccc(F)cc2Br)s1 ZINC000036927958 213125877 /nfs/dbraw/zinc/12/58/77/213125877.db2.gz AQFJLNBPEKRTFK-GFCCVEGCSA-N 0 3 328.250 5.117 10 0 EKAEHN CC[C@@H](N[C@@H](C)c1ccc(C)s1)c1ccc(Br)cc1 ZINC000036991664 213128875 /nfs/dbraw/zinc/12/88/75/213128875.db2.gz SETFDDMACHTQIR-SWLSCSKDSA-N 0 3 338.314 5.621 10 0 EKAEHN CC[C@H](N[C@H](C)c1ccc(C)s1)c1ccc(Br)cc1 ZINC000036991665 213128917 /nfs/dbraw/zinc/12/89/17/213128917.db2.gz SETFDDMACHTQIR-DOMZBBRYSA-N 0 3 338.314 5.621 10 0 EKAEHN C[C@H](N[C@@H](C)c1ccc(Br)cc1)c1ccc(Cl)s1 ZINC000036992110 213129137 /nfs/dbraw/zinc/12/91/37/213129137.db2.gz BRJJXNKPLZCKCL-UWVGGRQHSA-N 0 3 344.705 5.576 10 0 EKAEHN C[C@@H](N[C@@H](C)c1ccc(Cl)s1)c1ccc(Br)cc1 ZINC000036992111 202334754 /nfs/dbraw/zinc/33/47/54/202334754.db2.gz BRJJXNKPLZCKCL-ZJUUUORDSA-N 0 3 344.705 5.576 10 0 EKAEHN C[C@@H](N[C@@H](C)c1ccc(Br)cc1)c1ccc(Cl)s1 ZINC000036992112 213128583 /nfs/dbraw/zinc/12/85/83/213128583.db2.gz BRJJXNKPLZCKCL-VHSXEESVSA-N 0 3 344.705 5.576 10 0 EKAEHN C[C@@H](N[C@H](C)c1ccc(Br)cc1)c1ccc(Cl)s1 ZINC000036992113 213128290 /nfs/dbraw/zinc/12/82/90/213128290.db2.gz BRJJXNKPLZCKCL-NXEZZACHSA-N 0 3 344.705 5.576 10 0 EKAEHN CC(C)[C@H](N[C@@H](C)c1cccc(Br)c1)c1cccs1 ZINC000037072790 213132833 /nfs/dbraw/zinc/13/28/33/213132833.db2.gz FIANFCASECIIBN-LRDDRELGSA-N 0 3 338.314 5.559 10 0 EKAEHN CC(C)[C@@H](N[C@@H](C)c1cccc(Br)c1)c1cccs1 ZINC000037072791 213132846 /nfs/dbraw/zinc/13/28/46/213132846.db2.gz FIANFCASECIIBN-BLLLJJGKSA-N 0 3 338.314 5.559 10 0 EKAEHN CC(C)[C@H](N[C@H](C)c1cccc(Br)c1)c1cccs1 ZINC000037072792 213133233 /nfs/dbraw/zinc/13/32/33/213133233.db2.gz FIANFCASECIIBN-WBMJQRKESA-N 0 3 338.314 5.559 10 0 EKAEHN CC(C)[C@@H](N[C@H](C)c1cccc(Br)c1)c1cccs1 ZINC000037072793 213133429 /nfs/dbraw/zinc/13/34/29/213133429.db2.gz FIANFCASECIIBN-MLGOLLRUSA-N 0 3 338.314 5.559 10 0 EKAEHN CC[C@H](NCc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000037243212 213136635 /nfs/dbraw/zinc/13/66/35/213136635.db2.gz RATOVIBBMCTXIQ-INIZCTEOSA-N 0 3 338.676 5.343 10 0 EKAEHN CC[C@@H](NCc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000037243215 213136660 /nfs/dbraw/zinc/13/66/60/213136660.db2.gz RATOVIBBMCTXIQ-MRXNPFEDSA-N 0 3 338.676 5.343 10 0 EKAEHN C[C@H](NCc1ccc(Cl)cc1)c1ccc(F)c(Br)c1 ZINC000037243276 213136678 /nfs/dbraw/zinc/13/66/78/213136678.db2.gz SWXJTYZJFBSDTF-JTQLQIEISA-N 0 3 342.639 5.092 10 0 EKAEHN Cc1cc(C)c([C@H](N)c2cc(Br)ccc2Cl)c(C)c1 ZINC000037287769 213138070 /nfs/dbraw/zinc/13/80/70/213138070.db2.gz QGAMAGJHOIZEPB-MRXNPFEDSA-N 0 3 338.676 5.076 10 0 EKAEHN Cc1cc(C)c([C@@H](N)c2cc(Br)ccc2Cl)c(C)c1 ZINC000037287770 213139195 /nfs/dbraw/zinc/13/91/95/213139195.db2.gz QGAMAGJHOIZEPB-INIZCTEOSA-N 0 3 338.676 5.076 10 0 EKAEHN CCCc1ccc([C@H](N)c2cc(Br)ccc2Cl)cc1 ZINC000037287806 213139426 /nfs/dbraw/zinc/13/94/26/213139426.db2.gz HECQXKFLWVLLCM-INIZCTEOSA-N 0 3 338.676 5.103 10 0 EKAEHN CCCc1ccc([C@@H](N)c2cc(Br)ccc2Cl)cc1 ZINC000037287807 213139455 /nfs/dbraw/zinc/13/94/55/213139455.db2.gz HECQXKFLWVLLCM-MRXNPFEDSA-N 0 3 338.676 5.103 10 0 EKAEHN CC(C)[C@H](N)c1ccc(-c2c(Cl)cc(Cl)cc2Cl)s1 ZINC000037335705 213140010 /nfs/dbraw/zinc/14/00/10/213140010.db2.gz RAJNOFGEHHYYIS-AWEZNQCLSA-N 0 3 334.699 6.031 10 0 EKAEHN CC(C)[C@@H](N)c1ccc(-c2c(Cl)cc(Cl)cc2Cl)s1 ZINC000037335707 213140686 /nfs/dbraw/zinc/14/06/86/213140686.db2.gz RAJNOFGEHHYYIS-CQSZACIVSA-N 0 3 334.699 6.031 10 0 EKAEHN Cc1cc(C)c([C@@H](N)c2ccc(Br)cc2Cl)c(C)c1 ZINC000037365763 213141800 /nfs/dbraw/zinc/14/18/00/213141800.db2.gz UCVRBNOXMHWUBN-INIZCTEOSA-N 0 3 338.676 5.076 10 0 EKAEHN CCCc1ccc([C@H](N)c2ccc(Br)cc2Cl)cc1 ZINC000037365800 213141192 /nfs/dbraw/zinc/14/11/92/213141192.db2.gz DNBTXYHCAZMKGM-INIZCTEOSA-N 0 3 338.676 5.103 10 0 EKAEHN CCCc1ccc([C@@H](N)c2ccc(Br)cc2Cl)cc1 ZINC000037365802 213141326 /nfs/dbraw/zinc/14/13/26/213141326.db2.gz DNBTXYHCAZMKGM-MRXNPFEDSA-N 0 3 338.676 5.103 10 0 EKAEHN CN[C@H](c1ccc(C)c(C)c1)c1ccc(Br)cc1Cl ZINC000037365980 213141234 /nfs/dbraw/zinc/14/12/34/213141234.db2.gz AVLPMRHJVPUUFO-MRXNPFEDSA-N 0 3 338.676 5.028 10 0 EKAEHN CN[C@@H](c1cc(C)ccc1C)c1ccc(Br)cc1Cl ZINC000037366094 213142023 /nfs/dbraw/zinc/14/20/23/213142023.db2.gz FBYJJPKKGSGGCH-MRXNPFEDSA-N 0 3 338.676 5.028 10 0 EKAEHN CN[C@H](c1cc(C)ccc1C)c1ccc(Br)cc1Cl ZINC000037366096 213141567 /nfs/dbraw/zinc/14/15/67/213141567.db2.gz FBYJJPKKGSGGCH-INIZCTEOSA-N 0 3 338.676 5.028 10 0 EKAEHN CCN[C@@H](c1ccc(C)cc1)c1ccc(Br)cc1Cl ZINC000037366253 213141188 /nfs/dbraw/zinc/14/11/88/213141188.db2.gz LYFZWTWBNKRNDO-INIZCTEOSA-N 0 3 338.676 5.110 10 0 EKAEHN CCCN[C@@H](c1ccccc1)c1ccc(Br)cc1Cl ZINC000037366391 213142073 /nfs/dbraw/zinc/14/20/73/213142073.db2.gz QRHRETRMVZUGSA-INIZCTEOSA-N 0 3 338.676 5.192 10 0 EKAEHN CCCN[C@H](c1ccccc1)c1ccc(Br)cc1Cl ZINC000037366394 213141994 /nfs/dbraw/zinc/14/19/94/213141994.db2.gz QRHRETRMVZUGSA-MRXNPFEDSA-N 0 3 338.676 5.192 10 0 EKAEHN c1ccc(-c2ccc(-c3cncc(CN4CCCCC4)c3)cc2)cc1 ZINC000037554019 213157042 /nfs/dbraw/zinc/15/70/42/213157042.db2.gz NULONKITRRJZJC-UHFFFAOYSA-N 0 3 328.459 5.402 10 0 EKAEHN C[C@H](NCc1ccc(Br)s1)c1ccc2ccccc2c1 ZINC000037977244 213179763 /nfs/dbraw/zinc/17/97/63/213179763.db2.gz VOOUJTANEMWXCH-LBPRGKRZSA-N 0 3 346.293 5.515 10 0 EKAEHN C[C@@H](NCc1ccc(Br)s1)c1ccc2ccccc2c1 ZINC000037977245 213179939 /nfs/dbraw/zinc/17/99/39/213179939.db2.gz VOOUJTANEMWXCH-GFCCVEGCSA-N 0 3 346.293 5.515 10 0 EKAEHN C[C@H](N[C@@H](C)c1ccc(Cl)cc1)c1ccc(Br)s1 ZINC000038001866 213186319 /nfs/dbraw/zinc/18/63/19/213186319.db2.gz XRODELMRLWBQCI-UWVGGRQHSA-N 0 3 344.705 5.576 10 0 EKAEHN C[C@@H](N[C@@H](C)c1ccc(Br)s1)c1ccc(Cl)cc1 ZINC000038001867 202383698 /nfs/dbraw/zinc/38/36/98/202383698.db2.gz XRODELMRLWBQCI-ZJUUUORDSA-N 0 3 344.705 5.576 10 0 EKAEHN C[C@@H](N[C@@H](C)c1ccc(Cl)cc1)c1ccc(Br)s1 ZINC000038001868 202384384 /nfs/dbraw/zinc/38/43/84/202384384.db2.gz XRODELMRLWBQCI-VHSXEESVSA-N 0 3 344.705 5.576 10 0 EKAEHN C[C@@H](N[C@H](C)c1ccc(Cl)cc1)c1ccc(Br)s1 ZINC000038001869 213185611 /nfs/dbraw/zinc/18/56/11/213185611.db2.gz XRODELMRLWBQCI-NXEZZACHSA-N 0 3 344.705 5.576 10 0 EKAEHN C[C@H](N[C@@H](C)c1cccc(Cl)c1)c1ccc(Br)s1 ZINC000038001898 213186506 /nfs/dbraw/zinc/18/65/06/213186506.db2.gz FVTOJOHSNOZRME-UWVGGRQHSA-N 0 3 344.705 5.576 10 0 EKAEHN C[C@@H](N[C@@H](C)c1ccc(Br)s1)c1cccc(Cl)c1 ZINC000038001899 213186548 /nfs/dbraw/zinc/18/65/48/213186548.db2.gz FVTOJOHSNOZRME-ZJUUUORDSA-N 0 3 344.705 5.576 10 0 EKAEHN C[C@@H](N[C@@H](C)c1cccc(Cl)c1)c1ccc(Br)s1 ZINC000038001900 213186249 /nfs/dbraw/zinc/18/62/49/213186249.db2.gz FVTOJOHSNOZRME-VHSXEESVSA-N 0 3 344.705 5.576 10 0 EKAEHN C[C@@H](N[C@H](C)c1cccc(Cl)c1)c1ccc(Br)s1 ZINC000038001901 213185578 /nfs/dbraw/zinc/18/55/78/213185578.db2.gz FVTOJOHSNOZRME-NXEZZACHSA-N 0 3 344.705 5.576 10 0 EKAEHN CC(C)[C@H](N[C@@H](C)c1ccc(Br)s1)c1cccs1 ZINC000038002897 213187225 /nfs/dbraw/zinc/18/72/25/213187225.db2.gz IJVSVYNPWDQLRO-HZMBPMFUSA-N 0 3 344.343 5.620 10 0 EKAEHN CC(C)[C@@H](N[C@@H](C)c1ccc(Br)s1)c1cccs1 ZINC000038002898 213186951 /nfs/dbraw/zinc/18/69/51/213186951.db2.gz IJVSVYNPWDQLRO-IINYFYTJSA-N 0 3 344.343 5.620 10 0 EKAEHN CC(C)[C@H](N[C@H](C)c1ccc(Br)s1)c1cccs1 ZINC000038002899 213187931 /nfs/dbraw/zinc/18/79/31/213187931.db2.gz IJVSVYNPWDQLRO-YGRLFVJLSA-N 0 3 344.343 5.620 10 0 EKAEHN CC(C)[C@@H](N[C@H](C)c1ccc(Br)s1)c1cccs1 ZINC000038002900 213187903 /nfs/dbraw/zinc/18/79/03/213187903.db2.gz IJVSVYNPWDQLRO-QMTHXVAHSA-N 0 3 344.343 5.620 10 0 EKAEHN C[C@H](NCc1cc(-c2ccccc2)cs1)c1ccc(Cl)s1 ZINC000038030820 213194220 /nfs/dbraw/zinc/19/42/20/213194220.db2.gz WQLOYWJTIDCVNV-LBPRGKRZSA-N 0 3 333.909 5.981 10 0 EKAEHN C[C@@H](NCc1cc(-c2ccccc2)cs1)c1ccc(Cl)s1 ZINC000038030821 213194345 /nfs/dbraw/zinc/19/43/45/213194345.db2.gz WQLOYWJTIDCVNV-GFCCVEGCSA-N 0 3 333.909 5.981 10 0 EKAEHN Cc1cc(N(CC(C)C)CC(C)C)c2ccc(C(F)(F)F)cc2n1 ZINC000040570836 213352175 /nfs/dbraw/zinc/35/21/75/213352175.db2.gz IQIRVYOVVUKOKC-UHFFFAOYSA-N 0 3 338.417 5.680 10 0 EKAEHN Cc1cc(N(C)Cc2ccccc2)c2ccc(C(F)(F)F)cc2n1 ZINC000040570942 213352211 /nfs/dbraw/zinc/35/22/11/213352211.db2.gz AFMUGCVHTFLOBO-UHFFFAOYSA-N 0 3 330.353 5.198 10 0 EKAEHN Cc1cc(NCCc2ccccc2)c2ccc(C(F)(F)F)cc2n1 ZINC000040570984 213352195 /nfs/dbraw/zinc/35/21/95/213352195.db2.gz PGCPTGFLNAPAQB-UHFFFAOYSA-N 0 3 330.353 5.217 10 0 EKAEHN CCC[C@H](N[C@@H](C)c1ccc(Br)s1)c1cccs1 ZINC000049541832 214015356 /nfs/dbraw/zinc/01/53/56/214015356.db2.gz XYTUOZDSZCZMHV-QWRGUYRKSA-N 0 3 344.343 5.764 10 0 EKAEHN CN[C@@H](C)c1ccc(-c2c(Cl)cc(Br)cc2Cl)o1 ZINC000052924373 214155327 /nfs/dbraw/zinc/15/53/27/214155327.db2.gz BLHYVITUKIJMHG-ZETCQYMHSA-N 0 3 349.055 5.296 10 0 EKAEHN C[C@@H](N[C@@H](C)c1ccc(F)c(F)c1)c1ccc(C(F)(F)F)cc1 ZINC000097393558 219021101 /nfs/dbraw/zinc/02/11/01/219021101.db2.gz DMCYCWLCVKIOFS-MNOVXSKESA-N 0 3 329.312 5.395 10 0 EKAEHN C[C@@H](N[C@H](C)c1ccc(F)c(F)c1)c1ccc(C(F)(F)F)cc1 ZINC000097393560 219020678 /nfs/dbraw/zinc/02/06/78/219020678.db2.gz DMCYCWLCVKIOFS-GHMZBOCLSA-N 0 3 329.312 5.395 10 0 EKAEHN CCN[C@@H](Cc1ccc(Cl)s1)c1ccccc1Br ZINC000103931042 219330493 /nfs/dbraw/zinc/33/04/93/219330493.db2.gz PQYONZUIEQPNNG-ZDUSSCGKSA-N 0 3 344.705 5.057 10 0 EKAEHN CCN[C@H](Cc1ccc(Cl)s1)c1ccccc1Br ZINC000103931046 219330511 /nfs/dbraw/zinc/33/05/11/219330511.db2.gz PQYONZUIEQPNNG-CYBMUJFWSA-N 0 3 344.705 5.057 10 0 EKAEHN CCCN[C@H](C)c1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000103933195 219330317 /nfs/dbraw/zinc/33/03/17/219330317.db2.gz FHUAFIZKGBARHB-SNVBAGLBSA-N 0 3 342.664 5.423 10 0 EKAEHN CCN[C@@H](Cc1cc(Br)cs1)c1ccccc1Cl ZINC000103938269 204090199 /nfs/dbraw/zinc/09/01/99/204090199.db2.gz CCPSVYJTTLJYDY-AWEZNQCLSA-N 0 3 344.705 5.057 10 0 EKAEHN CCN[C@H](Cc1cc(Br)cs1)c1ccccc1Cl ZINC000103938274 219330095 /nfs/dbraw/zinc/33/00/95/219330095.db2.gz CCPSVYJTTLJYDY-CQSZACIVSA-N 0 3 344.705 5.057 10 0 EKAEHN CCCN[C@@H](c1cccc(Cl)c1)c1cccc(Br)c1 ZINC000103944708 219331234 /nfs/dbraw/zinc/33/12/34/219331234.db2.gz VIAFVLKOFYKNIN-MRXNPFEDSA-N 0 3 338.676 5.192 10 0 EKAEHN CCCN[C@H](c1cccc(Cl)c1)c1cccc(Br)c1 ZINC000103944711 219330820 /nfs/dbraw/zinc/33/08/20/219330820.db2.gz VIAFVLKOFYKNIN-INIZCTEOSA-N 0 3 338.676 5.192 10 0 EKAEHN CC[C@H](N)c1ccc(-c2cc(Br)ccc2Cl)s1 ZINC000103949099 204090667 /nfs/dbraw/zinc/09/06/67/204090667.db2.gz GCRMUUIVTCTYAE-NSHDSACASA-N 0 3 330.678 5.241 10 0 EKAEHN CC[C@@H](N)c1ccc(-c2cc(Br)ccc2Cl)s1 ZINC000103949101 219331715 /nfs/dbraw/zinc/33/17/15/219331715.db2.gz GCRMUUIVTCTYAE-LLVKDONJSA-N 0 3 330.678 5.241 10 0 EKAEHN CCCC[C@@H](CC)COc1ccc(Br)cc1[C@@H](C)N ZINC000103967769 219334305 /nfs/dbraw/zinc/33/43/05/219334305.db2.gz UAGFHGLSWILYPX-CHWSQXEVSA-N 0 3 328.294 5.064 10 0 EKAEHN CCC1CCC(CN[C@@H](C)c2sccc2Br)CC1 ZINC000103971471 204091099 /nfs/dbraw/zinc/09/10/99/204091099.db2.gz YGXHLNVIIRIYAH-HIFPTAJRSA-N 0 3 330.335 5.378 10 0 EKAEHN CCC1CCC(CN[C@H](C)c2sccc2Br)CC1 ZINC000103971474 219334281 /nfs/dbraw/zinc/33/42/81/219334281.db2.gz YGXHLNVIIRIYAH-PNESKVBLSA-N 0 3 330.335 5.378 10 0 EKAEHN CCCC1CCC(NCc2ccc(Br)cc2F)CC1 ZINC000103973040 219333956 /nfs/dbraw/zinc/33/39/56/219333956.db2.gz KQNLZKJMQBIDGY-UHFFFAOYSA-N 0 3 328.269 5.037 10 0 EKAEHN C[C@@H](NCC(C)(C)c1ccccc1)c1sccc1Br ZINC000103985291 219336027 /nfs/dbraw/zinc/33/60/27/219336027.db2.gz JCBUIJCGXQENNX-GFCCVEGCSA-N 0 3 338.314 5.139 10 0 EKAEHN CC(C)(C)c1ccc(CNCc2ccc(Br)s2)cc1 ZINC000103992089 219337321 /nfs/dbraw/zinc/33/73/21/219337321.db2.gz VVRDHIJKENBYEP-UHFFFAOYSA-N 0 3 338.314 5.098 10 0 EKAEHN NCc1ccc(Cl)cc1Oc1ccc(Br)cc1Cl ZINC000103992770 219337147 /nfs/dbraw/zinc/33/71/47/219337147.db2.gz GWXVGZGRLJMQAP-UHFFFAOYSA-N 0 3 347.039 5.007 10 0 EKAEHN CCN[C@H](Cc1cccc(Cl)c1)c1cc(Cl)sc1Cl ZINC000103998066 219336967 /nfs/dbraw/zinc/33/69/67/219336967.db2.gz ZVKOBVLZBVBNAQ-GFCCVEGCSA-N 0 3 334.699 5.602 10 0 EKAEHN CCCN[C@H](C1=CCCC1)c1ccc(Br)cc1Cl ZINC000104002620 204091768 /nfs/dbraw/zinc/09/17/68/204091768.db2.gz QOLKTSLUABCSRQ-OAHLLOKOSA-N 0 3 328.681 5.254 10 0 EKAEHN CCCN[C@@H](C1=CCCC1)c1ccc(Br)cc1Cl ZINC000104002625 219337449 /nfs/dbraw/zinc/33/74/49/219337449.db2.gz QOLKTSLUABCSRQ-HNNXBMFYSA-N 0 3 328.681 5.254 10 0 EKAEHN CC[C@H](NCc1ccc(F)cc1Br)C1CCCCC1 ZINC000104003282 219336982 /nfs/dbraw/zinc/33/69/82/219336982.db2.gz SJEZQTALROEXRH-INIZCTEOSA-N 0 3 328.269 5.037 10 0 EKAEHN CC[C@@H](NCc1ccc(F)cc1Br)C1CCCCC1 ZINC000104003284 219336926 /nfs/dbraw/zinc/33/69/26/219336926.db2.gz SJEZQTALROEXRH-MRXNPFEDSA-N 0 3 328.269 5.037 10 0 EKAEHN CCN[C@H](c1sccc1C)c1cc(Br)ccc1Cl ZINC000104005177 219338269 /nfs/dbraw/zinc/33/82/69/219338269.db2.gz NRWHIBNCBABBPJ-ZDUSSCGKSA-N 0 3 344.705 5.171 10 0 EKAEHN CCN[C@@H](c1sccc1C)c1cc(Br)ccc1Cl ZINC000104005183 219337921 /nfs/dbraw/zinc/33/79/21/219337921.db2.gz NRWHIBNCBABBPJ-CYBMUJFWSA-N 0 3 344.705 5.171 10 0 EKAEHN CCN[C@@H](c1ccc(Br)cc1)c1ccc(C)c(Cl)c1 ZINC000104006253 219337960 /nfs/dbraw/zinc/33/79/60/219337960.db2.gz HWVHCCNTTQLOPU-INIZCTEOSA-N 0 3 338.676 5.110 10 0 EKAEHN CCN[C@H](c1ccc(Br)cc1)c1ccc(C)c(Cl)c1 ZINC000104006255 219337797 /nfs/dbraw/zinc/33/77/97/219337797.db2.gz HWVHCCNTTQLOPU-MRXNPFEDSA-N 0 3 338.676 5.110 10 0 EKAEHN CCCN[C@H](c1sccc1C)c1ccc(F)cc1Br ZINC000104007777 219338423 /nfs/dbraw/zinc/33/84/23/219338423.db2.gz GJJNANPUQFGSQM-AWEZNQCLSA-N 0 3 342.277 5.047 10 0 EKAEHN CCCN[C@@H](c1sccc1C)c1ccc(F)cc1Br ZINC000104007783 219338185 /nfs/dbraw/zinc/33/81/85/219338185.db2.gz GJJNANPUQFGSQM-CQSZACIVSA-N 0 3 342.277 5.047 10 0 EKAEHN CCCN[C@H](c1sccc1C)c1ccc(Br)cc1F ZINC000104009362 219337844 /nfs/dbraw/zinc/33/78/44/219337844.db2.gz IDGWRRMLAZZXRX-AWEZNQCLSA-N 0 3 342.277 5.047 10 0 EKAEHN CCCN[C@@H](c1sccc1C)c1ccc(Br)cc1F ZINC000104009368 219337876 /nfs/dbraw/zinc/33/78/76/219337876.db2.gz IDGWRRMLAZZXRX-CQSZACIVSA-N 0 3 342.277 5.047 10 0 EKAEHN CCCN[C@H](c1sccc1C)c1ccc(Br)c(F)c1 ZINC000104014626 219339335 /nfs/dbraw/zinc/33/93/35/219339335.db2.gz AJISLQNKCVDWDH-AWEZNQCLSA-N 0 3 342.277 5.047 10 0 EKAEHN CCCN[C@@H](c1sccc1C)c1ccc(Br)c(F)c1 ZINC000104014631 219339464 /nfs/dbraw/zinc/33/94/64/219339464.db2.gz AJISLQNKCVDWDH-CQSZACIVSA-N 0 3 342.277 5.047 10 0 EKAEHN COc1c(Br)cc(Cl)cc1[C@H](N)C1CCCCCC1 ZINC000104017971 219339280 /nfs/dbraw/zinc/33/92/80/219339280.db2.gz RJVFPXSVKSUBIB-CQSZACIVSA-N 0 3 346.696 5.081 10 0 EKAEHN COc1c(Br)cc(Cl)cc1[C@@H](N)C1CCCCCC1 ZINC000104017977 219339243 /nfs/dbraw/zinc/33/92/43/219339243.db2.gz RJVFPXSVKSUBIB-AWEZNQCLSA-N 0 3 346.696 5.081 10 0 EKAEHN NCc1ccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)cc1F ZINC000104046105 206484339 /nfs/dbraw/zinc/48/43/39/206484339.db2.gz SKWJLSDJGAOTKU-UHFFFAOYSA-N 0 3 339.024 5.565 10 0 EKAEHN CCN[C@@H](Cc1ccsc1)c1ccc(Br)cc1Cl ZINC000104178360 219355313 /nfs/dbraw/zinc/35/53/13/219355313.db2.gz AMSYENIYIKSNJW-AWEZNQCLSA-N 0 3 344.705 5.057 10 0 EKAEHN CCN[C@H](Cc1ccsc1)c1ccc(Br)cc1Cl ZINC000104178364 219355692 /nfs/dbraw/zinc/35/56/92/219355692.db2.gz AMSYENIYIKSNJW-CQSZACIVSA-N 0 3 344.705 5.057 10 0 EKAEHN CN[C@@H](C)c1c(F)cccc1Sc1cccc(Br)c1 ZINC000104179931 219355885 /nfs/dbraw/zinc/35/58/85/219355885.db2.gz SCMSXTGVBFCXAJ-JTQLQIEISA-N 0 3 340.261 5.020 10 0 EKAEHN CN[C@H](C)c1c(F)cccc1Sc1cccc(Br)c1 ZINC000104179933 219355593 /nfs/dbraw/zinc/35/55/93/219355593.db2.gz SCMSXTGVBFCXAJ-SNVBAGLBSA-N 0 3 340.261 5.020 10 0 EKAEHN CCCN[C@@H](CCc1cccs1)c1ccccc1Br ZINC000104271919 219368479 /nfs/dbraw/zinc/36/84/79/219368479.db2.gz CJMPJPUURBMUOD-INIZCTEOSA-N 0 3 338.314 5.184 10 0 EKAEHN CCCN[C@H](CCc1cccs1)c1ccccc1Br ZINC000104271922 219368484 /nfs/dbraw/zinc/36/84/84/219368484.db2.gz CJMPJPUURBMUOD-MRXNPFEDSA-N 0 3 338.314 5.184 10 0 EKAEHN CCNCc1ccc(Br)cc1Sc1cccc(C)c1 ZINC000104286368 219370409 /nfs/dbraw/zinc/37/04/09/219370409.db2.gz SLJFZGINDOJLEX-UHFFFAOYSA-N 0 3 336.298 5.018 10 0 EKAEHN CCN[C@H](c1sccc1Br)c1c(C)cc(C)cc1C ZINC000104288095 219371074 /nfs/dbraw/zinc/37/10/74/219371074.db2.gz ZEEKBJOFXHHWDU-HNNXBMFYSA-N 0 3 338.314 5.135 10 0 EKAEHN CCN[C@@H](c1sccc1Br)c1c(C)cc(C)cc1C ZINC000104288099 219370942 /nfs/dbraw/zinc/37/09/42/219370942.db2.gz ZEEKBJOFXHHWDU-OAHLLOKOSA-N 0 3 338.314 5.135 10 0 EKAEHN CCCN[C@H](c1ccc(CC)s1)c1sccc1Br ZINC000104289248 219370868 /nfs/dbraw/zinc/37/08/68/219370868.db2.gz VIHKPSGAISEZBA-CYBMUJFWSA-N 0 3 344.343 5.224 10 0 EKAEHN CCCN[C@H](c1sccc1Br)c1ccc(C)cc1C ZINC000104290350 219370737 /nfs/dbraw/zinc/37/07/37/219370737.db2.gz WUIGZXSLHFSGNQ-HNNXBMFYSA-N 0 3 338.314 5.216 10 0 EKAEHN CCCN[C@@H](c1sccc1Br)c1ccc(C)cc1C ZINC000104290354 219371014 /nfs/dbraw/zinc/37/10/14/219371014.db2.gz WUIGZXSLHFSGNQ-OAHLLOKOSA-N 0 3 338.314 5.216 10 0 EKAEHN CCN[C@@H](Cc1ccccc1Cl)c1sccc1Br ZINC000104292663 219370795 /nfs/dbraw/zinc/37/07/95/219370795.db2.gz ZYKXHQOQGFSNIT-ZDUSSCGKSA-N 0 3 344.705 5.057 10 0 EKAEHN CCN[C@H](Cc1ccccc1Cl)c1sccc1Br ZINC000104292667 219370337 /nfs/dbraw/zinc/37/03/37/219370337.db2.gz ZYKXHQOQGFSNIT-CYBMUJFWSA-N 0 3 344.705 5.057 10 0 EKAEHN CCN[C@@H](Cc1ccc(Cl)cc1)c1sccc1Br ZINC000104296534 219371569 /nfs/dbraw/zinc/37/15/69/219371569.db2.gz AFSUSQYRTGKZIT-ZDUSSCGKSA-N 0 3 344.705 5.057 10 0 EKAEHN CCN[C@H](Cc1ccc(Cl)cc1)c1sccc1Br ZINC000104296540 219372137 /nfs/dbraw/zinc/37/21/37/219372137.db2.gz AFSUSQYRTGKZIT-CYBMUJFWSA-N 0 3 344.705 5.057 10 0 EKAEHN CCCN[C@@H](Cc1ccccc1C)c1sccc1Br ZINC000104297798 219371927 /nfs/dbraw/zinc/37/19/27/219371927.db2.gz WIGJGWQGLMXQNU-HNNXBMFYSA-N 0 3 338.314 5.102 10 0 EKAEHN CCCN[C@H](Cc1ccccc1C)c1sccc1Br ZINC000104297802 219371533 /nfs/dbraw/zinc/37/15/33/219371533.db2.gz WIGJGWQGLMXQNU-OAHLLOKOSA-N 0 3 338.314 5.102 10 0 EKAEHN CCCN[C@H](Cc1cccc(C)c1)c1sccc1Br ZINC000104299127 219372229 /nfs/dbraw/zinc/37/22/29/219372229.db2.gz JCCFKYKJMPUKRP-OAHLLOKOSA-N 0 3 338.314 5.102 10 0 EKAEHN CCNCc1ccc(Br)cc1Sc1ccc(C)cc1 ZINC000104300598 219371830 /nfs/dbraw/zinc/37/18/30/219371830.db2.gz SHEGTUDSBYRHFL-UHFFFAOYSA-N 0 3 336.298 5.018 10 0 EKAEHN CNCc1c(Cl)cccc1Sc1cc(Cl)ccc1Cl ZINC000104300606 219371917 /nfs/dbraw/zinc/37/19/17/219371917.db2.gz HXVRMMKCNGSWLC-UHFFFAOYSA-N 0 3 332.683 5.517 10 0 EKAEHN COc1c(Br)cc(Cl)cc1[C@@H](N)C[C@@H](C)C(C)(C)C ZINC000104438090 219387158 /nfs/dbraw/zinc/38/71/58/219387158.db2.gz FMVFAHQZGVMNAE-RNCFNFMXSA-N 0 3 348.712 5.183 10 0 EKAEHN COc1c(Br)cc(Cl)cc1[C@H](N)C[C@H](C)C(C)(C)C ZINC000104438093 219387679 /nfs/dbraw/zinc/38/76/79/219387679.db2.gz FMVFAHQZGVMNAE-TVQRCGJNSA-N 0 3 348.712 5.183 10 0 EKAEHN CC1CCC(CCNCc2ccc(Cl)cc2Br)CC1 ZINC000125701861 564114206 /nfs/dbraw/zinc/11/42/06/564114206.db2.gz IJPNGARMDKBXMW-UHFFFAOYSA-N 0 3 344.724 5.409 10 0 EKAEHN Cc1ccc(CN2CC=C(c3nc4cc(Cl)ccc4o3)CC2)cc1 ZINC000138164251 564176260 /nfs/dbraw/zinc/17/62/60/564176260.db2.gz PHKJRAAXUGLWNF-UHFFFAOYSA-N 0 3 338.838 5.079 10 0 EKAEHN CN[C@H](c1ccc(C)c(Br)c1)c1ccc2ccccc2c1 ZINC000163697945 533011226 /nfs/dbraw/zinc/01/12/26/533011226.db2.gz FAXLWNVMXLRDKC-IBGZPJMESA-N 0 3 340.264 5.220 10 0 EKAEHN CC(C)c1ccc2oc(C3=CCN(Cc4ccccc4)CC3)nc2c1 ZINC000226250382 201037320 /nfs/dbraw/zinc/03/73/20/201037320.db2.gz VQSYXUOIASBCKI-UHFFFAOYSA-N 0 3 332.447 5.241 10 0 EKAEHN CCCCN1CC=C(c2nc3cc(-c4ccccc4)ccc3o2)CC1 ZINC000226250961 564117184 /nfs/dbraw/zinc/11/71/84/564117184.db2.gz BEZWJOBMWFBAOK-UHFFFAOYSA-N 0 3 332.447 5.384 10 0 EKAEHN CCCCN1CC=C(c2nc3cc(Cl)cc(Cl)c3o2)CC1 ZINC000226250994 201037625 /nfs/dbraw/zinc/03/76/25/201037625.db2.gz ZOSRFAFAZLEJPA-UHFFFAOYSA-N 0 3 325.239 5.024 10 0 EKAEHN Cc1ccc(CN2CC=C(c3nc4cc(C)cc(C)c4o3)CC2)cc1 ZINC000226251203 564117224 /nfs/dbraw/zinc/11/72/24/564117224.db2.gz SDPZPAAFMSJCKP-UHFFFAOYSA-N 0 3 332.447 5.042 10 0 EKAEHN Cc1ccc(CN2CC=C(c3nc4cc(C)c(C)cc4o3)CC2)cc1 ZINC000226251217 564117205 /nfs/dbraw/zinc/11/72/05/564117205.db2.gz LPWSVRRNSXRXNV-UHFFFAOYSA-N 0 3 332.447 5.042 10 0 EKAEHN Cc1ccc(CN2CC=C(c3nc4cc(C(C)C)ccc4o3)CC2)cc1 ZINC000226251230 564117180 /nfs/dbraw/zinc/11/71/80/564117180.db2.gz BRVMIQNVOOULMO-UHFFFAOYSA-N 0 3 346.474 5.549 10 0 EKAEHN CC1CCC(CCNCc2cc(Br)ccc2Cl)CC1 ZINC000232815173 564177580 /nfs/dbraw/zinc/17/75/80/564177580.db2.gz LZLSBRMSLHNOOO-UHFFFAOYSA-N 0 3 344.724 5.409 10 0 EKAEHN