smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc(Cl)cc21 ZINC000001731584 536353768 /nfs/dbraw/zinc/35/37/68/536353768.db2.gz SNXMQJGTZHNPCN-MRXNPFEDSA-N 0 3 358.938 5.817 10 0 FKAEHN Clc1ccc2c(c1)OCCC(CN1CCCCC1)=C2c1ccccc1 ZINC000003603786 210227847 /nfs/dbraw/zinc/22/78/47/210227847.db2.gz LRHKEXUSIFDRFW-UHFFFAOYSA-N 0 3 353.893 5.410 10 0 FKAEHN CN1CCC([C@@H]2Oc3ccc(F)cc3Sc3ccc(Cl)cc32)CC1 ZINC000004128096 219546235 /nfs/dbraw/zinc/54/62/35/219546235.db2.gz BUIDXHSDSWIKTB-IBGZPJMESA-N 0 3 363.885 5.406 10 0 FKAEHN CCCC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2 ZINC000004215169 132386572 /nfs/dbraw/zinc/38/65/72/132386572.db2.gz GRVZGPLWLJJPKF-UHFFFAOYSA-N 0 3 354.519 5.224 10 0 FKAEHN CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1NCC(=O)N(c1ccccc1)C1CCCCC1 ZINC000004321666 219565642 /nfs/dbraw/zinc/56/56/42/219565642.db2.gz UESVZIGYWSMKFB-XANCMCCPSA-N 0 3 368.565 5.157 10 0 FKAEHN Clc1cccc(Cl)c1OCCCN1CCCC[C@@H]1c1cccnc1 ZINC000006719322 204262401 /nfs/dbraw/zinc/26/24/01/204262401.db2.gz HEVDIZXZUJELDS-GOSISDBHSA-N 0 3 365.304 5.385 10 0 FKAEHN CC(C)n1ncc2c1N=C(c1ccccc1)N(C1CC1)[C@H]2c1ccccc1 ZINC000007778766 571288582 /nfs/dbraw/zinc/28/85/82/571288582.db2.gz VGTTUDTUUYVTFV-NRFANRHFSA-N 0 3 356.473 5.110 10 0 FKAEHN CC(C)n1ncc2c1N=C(c1ccccc1)N(C1CC1)[C@@H]2c1ccccc1 ZINC000007778767 207205838 /nfs/dbraw/zinc/20/58/38/207205838.db2.gz VGTTUDTUUYVTFV-OAQYLSRUSA-N 0 3 356.473 5.110 10 0 FKAEHN CCc1c(C)sc2c1CCN(Cc1cccc(F)c1)[C@@H]2c1ccccc1 ZINC000008609016 207239272 /nfs/dbraw/zinc/23/92/72/207239272.db2.gz KMGQLIFPFJQGFK-JOCHJYFZSA-N 0 3 365.517 5.906 10 0 FKAEHN CCc1c(C)sc2c1CCN(Cc1cccc(F)c1)[C@H]2c1ccccc1 ZINC000008609017 204336905 /nfs/dbraw/zinc/33/69/05/204336905.db2.gz KMGQLIFPFJQGFK-QFIPXVFZSA-N 0 3 365.517 5.906 10 0 FKAEHN CCc1ccc(-c2nc3ccccn3c2CNCc2ccccc2C)cc1 ZINC000009740863 204381480 /nfs/dbraw/zinc/38/14/80/204381480.db2.gz PZBPWQHKFLUHKC-UHFFFAOYSA-N 0 3 355.485 5.162 10 0 FKAEHN CC(C)c1nc2cccnc2n1C1CCN(Cc2ccccc2Cl)CC1 ZINC000011842008 207325334 /nfs/dbraw/zinc/32/53/34/207325334.db2.gz JFHIHNGNSCXQNE-UHFFFAOYSA-N 0 3 368.912 5.045 10 0 FKAEHN COCC[C@H]1CCCCN1Cc1nc(-c2ccc3ccccc3c2)oc1C ZINC000012593889 220011478 /nfs/dbraw/zinc/01/14/78/220011478.db2.gz KCIBDPHAAZMCAW-OAQYLSRUSA-N 0 3 364.489 5.194 10 0 FKAEHN Cc1oc(-c2ccccc2C)nc1CN1CCC2(C=Cc3ccccc32)CC1 ZINC000012749965 204490510 /nfs/dbraw/zinc/49/05/10/204490510.db2.gz GGUHEQGEWREUDL-UHFFFAOYSA-N 0 3 370.496 5.519 10 0 FKAEHN O[C@@H]1CCCc2nc3ccccc3c(NCc3cccc(C(F)(F)F)c3)c21 ZINC000014946513 211107046 /nfs/dbraw/zinc/10/70/46/211107046.db2.gz BCLCATIAJDFAPY-GOSISDBHSA-N 0 3 372.390 5.235 10 0 FKAEHN O[C@@H]1CCCc2nc3ccccc3c(NCc3ccc(C(F)(F)F)cc3)c21 ZINC000014946515 211106804 /nfs/dbraw/zinc/10/68/04/211106804.db2.gz OWMWWMZMOLIDRD-GOSISDBHSA-N 0 3 372.390 5.235 10 0 FKAEHN O[C@H]1CCCc2nc3ccccc3c(NCc3ccc(C(F)(F)F)cc3)c21 ZINC000014946516 211107461 /nfs/dbraw/zinc/10/74/61/211107461.db2.gz OWMWWMZMOLIDRD-SFHVURJKSA-N 0 3 372.390 5.235 10 0 FKAEHN Cc1ccc(-n2ncc3c2CCC[C@@H]3NCc2cc3ccccc3[nH]2)cc1C ZINC000014975169 220138969 /nfs/dbraw/zinc/13/89/69/220138969.db2.gz OAWJVQCGKQZGKN-QHCPKHFHSA-N 0 3 370.500 5.138 10 0 FKAEHN Cc1ccc(-n2ncc3c2CCC[C@H]3NCc2cc3ccccc3[nH]2)cc1C ZINC000014975171 204593829 /nfs/dbraw/zinc/59/38/29/204593829.db2.gz OAWJVQCGKQZGKN-HSZRJFAPSA-N 0 3 370.500 5.138 10 0 FKAEHN Clc1ccccc1-c1cncnc1[C@@H]1CCCN(Cc2ccsc2)C1 ZINC000015005659 220140179 /nfs/dbraw/zinc/14/01/79/220140179.db2.gz XPZMQVUOGIBHPF-MRXNPFEDSA-N 0 3 369.921 5.238 10 0 FKAEHN Clc1ccccc1-c1cncnc1[C@H]1CCCN(Cc2ccsc2)C1 ZINC000015005661 211112961 /nfs/dbraw/zinc/11/29/61/211112961.db2.gz XPZMQVUOGIBHPF-INIZCTEOSA-N 0 3 369.921 5.238 10 0 FKAEHN Clc1ccc(-c2nnc([C@H](c3ccccc3)N3CCCCCC3)o2)cc1 ZINC000015733666 211139798 /nfs/dbraw/zinc/13/97/98/211139798.db2.gz AHOABCFAECKUFW-IBGZPJMESA-N 0 3 367.880 5.355 10 0 FKAEHN Clc1ccc(-c2nnc([C@@H](c3ccccc3)N3CCCCCC3)o2)cc1 ZINC000015733667 220162541 /nfs/dbraw/zinc/16/25/41/220162541.db2.gz AHOABCFAECKUFW-LJQANCHMSA-N 0 3 367.880 5.355 10 0 FKAEHN Cc1ccc(CN(Cc2cc(=O)c3c(C)cc(C)cc3[nH]2)CC(C)C)cc1 ZINC000015862311 571138524 /nfs/dbraw/zinc/13/85/24/571138524.db2.gz HGFCOZNEXPYPBM-UHFFFAOYSA-N 0 3 362.517 5.112 10 0 FKAEHN Cc1cccc(CN2CCc3c4c(sc3[C@@H]2c2ccccc2)CCCC4)c1 ZINC000015864821 211148353 /nfs/dbraw/zinc/14/83/53/211148353.db2.gz XFGRLHZROGGQER-DEOSSOPVSA-N 0 3 373.565 6.083 10 0 FKAEHN Cc1cccc(CN2CCc3c4c(sc3[C@H]2c2ccccc2)CCCC4)c1 ZINC000015864822 211146973 /nfs/dbraw/zinc/14/69/73/211146973.db2.gz XFGRLHZROGGQER-XMMPIXPASA-N 0 3 373.565 6.083 10 0 FKAEHN CCc1c(C)sc2c1CCN(Cc1cccc(C)c1)[C@H]2c1ccccc1 ZINC000015864868 220169734 /nfs/dbraw/zinc/16/97/34/220169734.db2.gz ZNVFPARBQFRQKF-QHCPKHFHSA-N 0 3 361.554 6.075 10 0 FKAEHN Cc1cc(N)c2cc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2n1 ZINC000017289579 220211944 /nfs/dbraw/zinc/21/19/44/220211944.db2.gz SJGWCVVYMGKPJE-XVNBXDOJSA-N 0 3 372.255 5.084 10 0 FKAEHN COc1ccc([C@@H](C)N(C)Cc2c3cccnc3[nH]c2C(C)(C)C)cc1 ZINC000019458710 220262070 /nfs/dbraw/zinc/26/20/70/220262070.db2.gz BHYDHNBZSSDJBQ-OAHLLOKOSA-N 0 3 351.494 5.062 10 0 FKAEHN Cc1oc(-c2cccc(F)c2F)nc1CN1CCC[C@@H](c2ccccc2)C1 ZINC000019743276 220292214 /nfs/dbraw/zinc/29/22/14/220292214.db2.gz RYHSBJNSIFNWML-QGZVFWFLSA-N 0 3 368.427 5.308 10 0 FKAEHN Cc1oc(-c2cccc(F)c2F)nc1CN1CCC[C@H](c2ccccc2)C1 ZINC000019743278 207707586 /nfs/dbraw/zinc/70/75/86/207707586.db2.gz RYHSBJNSIFNWML-KRWDZBQOSA-N 0 3 368.427 5.308 10 0 FKAEHN C[C@H](NCc1cc(Br)cs1)c1ccc(Cl)c(Cl)c1 ZINC000020306374 220320324 /nfs/dbraw/zinc/32/03/24/220320324.db2.gz NMJDTMFJJSWCTD-QMMMGPOBSA-N 0 3 365.123 5.668 10 0 FKAEHN Clc1ccc(CCNCc2ccccc2Br)c(Cl)c1 ZINC000021018940 220349368 /nfs/dbraw/zinc/34/93/68/220349368.db2.gz NXPXLCYIRRWAQJ-UHFFFAOYSA-N 0 3 359.094 5.088 10 0 FKAEHN c1ccc(CN[C@H]2CCCc3c2c2ccccc2n3Cc2ccccc2)cc1 ZINC000021983338 220372472 /nfs/dbraw/zinc/37/24/72/220372472.db2.gz NLLBSEJGOLSTDO-QHCPKHFHSA-N 0 3 366.508 5.857 10 0 FKAEHN CC/C(=C(/c1ccc(OCC[NH2+]C)cc1)c1cccc([O-])c1)c1ccccc1 ZINC000022056273 220375705 /nfs/dbraw/zinc/37/57/05/220375705.db2.gz QPHNKIXIKDPNDI-OCOZRVBESA-N 0 3 373.496 5.360 10 0 in-vitro FKAEHN O[C@H](CN(Cc1ccccc1)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000031911728 208020682 /nfs/dbraw/zinc/02/06/82/208020682.db2.gz XIRXFWVXTYTMCF-JOCHJYFZSA-N 0 3 351.877 5.076 10 0 FKAEHN CCN(CC)c1ccncc1-c1c2ccccc2ccc1-c1ccccc1 ZINC000034043673 210246226 /nfs/dbraw/zinc/24/62/26/210246226.db2.gz XKZROWSITVHJDX-UHFFFAOYSA-N 0 3 352.481 6.415 10 0 FKAEHN CCC(=O)N(c1cccc(C)c1)C1CCN(Cc2ccc(C)c(C)c2)CC1 ZINC000034683362 208103954 /nfs/dbraw/zinc/10/39/54/208103954.db2.gz ZNLHXOQWXLSUAH-UHFFFAOYSA-N 0 3 364.533 5.019 10 0 FKAEHN Fc1ccccc1O[C@@H](CCN1CCc2ccccc2C1)c1cccs1 ZINC000034726874 570550069 /nfs/dbraw/zinc/55/00/69/570550069.db2.gz ATRMFGSWQPSIRA-NRFANRHFSA-N 0 3 367.489 5.456 10 0 FKAEHN Fc1ccccc1O[C@H](CCN1CCc2ccccc2C1)c1cccs1 ZINC000034726878 208107924 /nfs/dbraw/zinc/10/79/24/208107924.db2.gz ATRMFGSWQPSIRA-OAQYLSRUSA-N 0 3 367.489 5.456 10 0 FKAEHN CN[C@H](Cc1ccc(Br)cc1)c1cc(Cl)sc1Cl ZINC000035502263 208125882 /nfs/dbraw/zinc/12/58/82/208125882.db2.gz HZFNTGAMVNEDKK-LLVKDONJSA-N 0 3 365.123 5.321 10 0 FKAEHN CCCCC[C@H](NCC)c1cc(Br)ccc1Br ZINC000035541747 204995664 /nfs/dbraw/zinc/99/56/64/204995664.db2.gz UUKDZOJEOIVHNX-AWEZNQCLSA-N 0 3 363.137 5.443 10 0 FKAEHN CCC[C@H](C)[C@H](NCC)c1cc(Br)ccc1Br ZINC000035541760 208131093 /nfs/dbraw/zinc/13/10/93/208131093.db2.gz QQUPYLUYDAAMDZ-HZMBPMFUSA-N 0 3 363.137 5.298 10 0 FKAEHN CCN[C@@H](c1cc(Br)ccc1Br)C(CC)CC ZINC000035541908 211640288 /nfs/dbraw/zinc/64/02/88/211640288.db2.gz YWKVHKZMBWHOGP-CQSZACIVSA-N 0 3 363.137 5.298 10 0 FKAEHN CCCN[C@@H](CC(C)C)c1cc(Br)ccc1Br ZINC000035578528 208132755 /nfs/dbraw/zinc/13/27/55/208132755.db2.gz AWWUHDGLVPDJNA-AWEZNQCLSA-N 0 3 363.137 5.298 10 0 FKAEHN CCCN[C@H](c1cc(Br)ccc1Br)C1CCC1 ZINC000035578644 208133733 /nfs/dbraw/zinc/13/37/33/208133733.db2.gz XVPUSUVZIKELAR-AWEZNQCLSA-N 0 3 361.121 5.052 10 0 FKAEHN Cc1cccc([C@@H]2c3cccn3CCCN2Cc2ccc(C(C)(C)C)cc2)c1 ZINC000036348383 571248886 /nfs/dbraw/zinc/24/88/86/571248886.db2.gz WILCQZRRBMDGSL-RUZDIDTESA-N 0 3 372.556 6.089 10 0 FKAEHN Cc1cccc([C@H]2c3cccn3CCCN2Cc2ccc(C(C)(C)C)cc2)c1 ZINC000036348384 208155326 /nfs/dbraw/zinc/15/53/26/208155326.db2.gz WILCQZRRBMDGSL-VWLOTQADSA-N 0 3 372.556 6.089 10 0 FKAEHN CCCNCc1ccc(-c2c(Cl)cc(Br)cc2Cl)o1 ZINC000036819174 517590208 /nfs/dbraw/zinc/59/02/08/517590208.db2.gz JZRZVHVYRCATII-UHFFFAOYSA-N 0 3 363.082 5.516 10 0 FKAEHN CC[C@H](N)c1ccc(-c2c(Cl)cc(Br)cc2Cl)s1 ZINC000036927911 205023422 /nfs/dbraw/zinc/02/34/22/205023422.db2.gz QFCLKXIQHZIHCN-JTQLQIEISA-N 0 3 365.123 5.894 10 0 FKAEHN Cc1ccccc1[C@@H](C)N[C@H](C)c1ccc(I)cc1 ZINC000037220788 211057666 /nfs/dbraw/zinc/05/76/66/211057666.db2.gz LDJYMKFLZLPTPK-ZIAGYGMSSA-N 0 3 365.258 5.011 10 0 FKAEHN C[C@@H](NC1CCC(C(F)(F)F)CC1)c1sccc1Br ZINC000037305931 211097991 /nfs/dbraw/zinc/09/79/91/211097991.db2.gz ZFTDHQAXPSORJZ-XNWIYYODSA-N 0 3 356.251 5.282 10 0 FKAEHN N[C@@H](c1csc2ccccc21)c1ccc(Br)cc1Cl ZINC000037365898 211153851 /nfs/dbraw/zinc/15/38/51/211153851.db2.gz PAOMSGFDTRUQEF-OAHLLOKOSA-N 0 3 352.684 5.365 10 0 FKAEHN Cc1ccc([C@H](C)N[C@@H](C)c2ccc(I)cc2)cc1 ZINC000037770348 211273803 /nfs/dbraw/zinc/27/38/03/211273803.db2.gz ITLWCSFTVCDTNO-KBPBESRZSA-N 0 3 365.258 5.011 10 0 FKAEHN CC(C)Oc1ccc([C@H](C)N[C@H](C)c2ccc(Br)s2)cc1 ZINC000038002450 204774390 /nfs/dbraw/zinc/77/43/90/204774390.db2.gz FKANXTBSRFQHOO-QWHCGFSZSA-N 0 3 368.340 5.710 10 0 FKAEHN CC(C)[C@H](N[C@@H](C)c1ccc(Br)s1)c1ccc(F)cc1 ZINC000038002601 220845476 /nfs/dbraw/zinc/84/54/76/220845476.db2.gz YOLXGSXSADXPJL-ZBEGNZNMSA-N 0 3 356.304 5.698 10 0 FKAEHN CC(C)Oc1cccc([C@@H](C)N[C@H](C)c2ccc(Br)s2)c1 ZINC000038002729 211341391 /nfs/dbraw/zinc/34/13/91/211341391.db2.gz QDHVDROOOAWFSL-CHWSQXEVSA-N 0 3 368.340 5.710 10 0 FKAEHN CCOc1ccc2nc(C)cc(Nc3ccc(Br)cc3C)c2c1 ZINC000041127712 210047281 /nfs/dbraw/zinc/04/72/81/210047281.db2.gz UAUVFNUFPYOSQN-UHFFFAOYSA-N 0 3 371.278 5.756 10 0 FKAEHN C[C@@H](NC1CCCCC1)c1ccc(Br)cc1Br ZINC000042306360 208292168 /nfs/dbraw/zinc/29/21/68/208292168.db2.gz CCIKFWGDEOBMGB-SNVBAGLBSA-N 0 3 361.121 5.195 10 0 FKAEHN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(I)cc2)s1 ZINC000049160648 205171081 /nfs/dbraw/zinc/17/10/81/205171081.db2.gz NKDVCHAGVGKQST-NWDGAFQWSA-N 0 3 371.287 5.073 10 0 FKAEHN Cc1ccc([C@H](C)N[C@H](C)c2ccc(I)cc2)s1 ZINC000049160661 205170292 /nfs/dbraw/zinc/17/02/92/205170292.db2.gz NKDVCHAGVGKQST-NEPJUHHUSA-N 0 3 371.287 5.073 10 0 FKAEHN CC[C@H](N[C@@H](C)c1ccc(I)cc1)c1cccs1 ZINC000049529454 221024863 /nfs/dbraw/zinc/02/48/63/221024863.db2.gz XQQLAPIWLUVOLC-FZMZJTMJSA-N 0 3 371.287 5.155 10 0 FKAEHN CC[C@@H](N[C@@H](C)c1ccc(I)cc1)c1cccs1 ZINC000049529455 221024509 /nfs/dbraw/zinc/02/45/09/221024509.db2.gz XQQLAPIWLUVOLC-SMDDNHRTSA-N 0 3 371.287 5.155 10 0 FKAEHN CC[C@H](N[C@H](C)c1ccc(I)cc1)c1cccs1 ZINC000049529456 221024652 /nfs/dbraw/zinc/02/46/52/221024652.db2.gz XQQLAPIWLUVOLC-RISCZKNCSA-N 0 3 371.287 5.155 10 0 FKAEHN CC[C@@H](N[C@H](C)c1ccc(I)cc1)c1cccs1 ZINC000049529457 221024922 /nfs/dbraw/zinc/02/49/22/221024922.db2.gz XQQLAPIWLUVOLC-BXUZGUMPSA-N 0 3 371.287 5.155 10 0 FKAEHN CN[C@@H](C)c1cc(Cl)ccc1OCc1ccc(Br)s1 ZINC000050209838 221031222 /nfs/dbraw/zinc/03/12/22/221031222.db2.gz VEBQUQPTXNTUID-VIFPVBQESA-N 0 3 360.704 5.023 10 0 FKAEHN CN[C@H](C)c1cc(Cl)ccc1OCc1ccc(Br)s1 ZINC000050209839 221031200 /nfs/dbraw/zinc/03/12/00/221031200.db2.gz VEBQUQPTXNTUID-SECBINFHSA-N 0 3 360.704 5.023 10 0 FKAEHN CC[C@H](N)c1ccc(-c2c(Br)cc(C)cc2Br)o1 ZINC000054107102 205197712 /nfs/dbraw/zinc/19/77/12/205197712.db2.gz HTPWDZGZPLEFLZ-NSHDSACASA-N 0 3 373.088 5.190 10 0 FKAEHN C[C@H](NCc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 ZINC000070136948 208134046 /nfs/dbraw/zinc/13/40/46/208134046.db2.gz PIMZQSLZSRHNMP-JTQLQIEISA-N 0 3 359.094 5.607 10 0 FKAEHN N[C@@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)s1 ZINC000070579172 221332742 /nfs/dbraw/zinc/33/27/42/221332742.db2.gz UNRIGMBPEZWMKV-JTQLQIEISA-N 0 3 351.096 5.060 10 0 FKAEHN N[C@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)s1 ZINC000070579173 221332620 /nfs/dbraw/zinc/33/26/20/221332620.db2.gz UNRIGMBPEZWMKV-SNVBAGLBSA-N 0 3 351.096 5.060 10 0 FKAEHN CCN1CCN(c2cc3c(c(-c4ccc(F)cc4)c2)CCCCCC3)CC1 ZINC000071789454 136141150 /nfs/dbraw/zinc/14/11/50/136141150.db2.gz CPAVYKKIVKBTGX-UHFFFAOYSA-N 0 3 366.524 5.294 10 0 FKAEHN CC/C(=C(/c1ccc([O-])cc1)c1ccc(OCC[NH3+])cc1)c1ccccc1 ZINC000077291475 571320994 /nfs/dbraw/zinc/32/09/94/571320994.db2.gz YCQBLTPGQSYLHD-WCWDXBQESA-N 0 3 359.469 5.099 10 0 in-vitro FKAEHN FC(F)(F)c1nc2ccccc2n1C[C@H]1CCCCN1Cc1ccccc1 ZINC000095076849 209018083 /nfs/dbraw/zinc/01/80/83/209018083.db2.gz ZDMWAESHEWHJDJ-QGZVFWFLSA-N 0 3 373.422 5.110 10 0 FKAEHN FC(F)(F)c1nc2ccccc2n1C[C@@H]1CCCCN1Cc1ccccc1 ZINC000095076850 205720748 /nfs/dbraw/zinc/72/07/48/205720748.db2.gz ZDMWAESHEWHJDJ-KRWDZBQOSA-N 0 3 373.422 5.110 10 0 FKAEHN Fc1ccc(CN2CCC3(CCc4ccc(-c5ccoc5)cc43)CC2)cc1 ZINC000096052555 222003324 /nfs/dbraw/zinc/00/33/24/222003324.db2.gz MEIHBTUKKHHGIG-UHFFFAOYSA-N 0 3 361.460 5.566 10 0 FKAEHN CCCC1=C(C(C)C)[NH2+]C(C(C)C)=C([C@@H](C)O)[C@H]1c1ccc(F)cc1[O-] ZINC000100130110 209209425 /nfs/dbraw/zinc/20/94/25/209209425.db2.gz OINVVPOIGFSNHM-VLIAUNLRSA-N 0 3 361.501 5.219 10 0 FKAEHN c1ccc(CCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000103229502 210243834 /nfs/dbraw/zinc/24/38/34/210243834.db2.gz OCKVNJXFPFUTLI-UHFFFAOYSA-N 0 3 370.540 5.026 10 0 FKAEHN CN[C@H](Cc1cccc(Br)c1)c1cccc(Cl)c1Cl ZINC000103930953 222347487 /nfs/dbraw/zinc/34/74/87/222347487.db2.gz RMNJLXJKYUCJSF-CQSZACIVSA-N 0 3 359.094 5.259 10 0 FKAEHN CC[C@H](NC)c1ccc(-c2ccc(Br)cc2Br)o1 ZINC000103937199 209257235 /nfs/dbraw/zinc/25/72/35/209257235.db2.gz ZINDMJVUPCFTIY-LBPRGKRZSA-N 0 3 373.088 5.142 10 0 FKAEHN CC[C@@H](NC)c1ccc(-c2ccc(Br)cc2Br)o1 ZINC000103937204 209257250 /nfs/dbraw/zinc/25/72/50/209257250.db2.gz ZINDMJVUPCFTIY-GFCCVEGCSA-N 0 3 373.088 5.142 10 0 FKAEHN CN[C@@H](Cc1ccccc1Br)c1cc(Cl)ccc1Cl ZINC000103944906 222347302 /nfs/dbraw/zinc/34/73/02/222347302.db2.gz XZMKIAGJSQNEFF-HNNXBMFYSA-N 0 3 359.094 5.259 10 0 FKAEHN CN[C@H](Cc1ccccc1Br)c1cc(Cl)ccc1Cl ZINC000103944910 206236656 /nfs/dbraw/zinc/23/66/56/206236656.db2.gz XZMKIAGJSQNEFF-OAHLLOKOSA-N 0 3 359.094 5.259 10 0 FKAEHN CCN[C@@H](Cc1cc(Br)cs1)c1ccc(F)cc1Cl ZINC000103946708 206236119 /nfs/dbraw/zinc/23/61/19/206236119.db2.gz BKKCEGZGCDIGJL-AWEZNQCLSA-N 0 3 362.695 5.196 10 0 FKAEHN CCN[C@H](Cc1cc(Br)cs1)c1ccc(F)cc1Cl ZINC000103946712 222347051 /nfs/dbraw/zinc/34/70/51/222347051.db2.gz BKKCEGZGCDIGJL-CQSZACIVSA-N 0 3 362.695 5.196 10 0 FKAEHN CCN[C@@H](Cc1ccc(Br)s1)c1ccc(Cl)cc1F ZINC000103950118 222347270 /nfs/dbraw/zinc/34/72/70/222347270.db2.gz SKKAQOMWMPAHNY-ZDUSSCGKSA-N 0 3 362.695 5.196 10 0 FKAEHN CCN[C@H](Cc1ccc(Br)s1)c1ccc(Cl)cc1F ZINC000103950123 222346637 /nfs/dbraw/zinc/34/66/37/222346637.db2.gz SKKAQOMWMPAHNY-CYBMUJFWSA-N 0 3 362.695 5.196 10 0 FKAEHN CCCNc1c2cc(I)ccc2nc(C)c1C(C)C ZINC000103972628 222347090 /nfs/dbraw/zinc/34/70/90/222347090.db2.gz WEDTYRBZGCJNEL-UHFFFAOYSA-N 0 3 368.262 5.093 10 0 FKAEHN CC(C)CCCN[C@@H](C)c1ccc(Br)cc1Br ZINC000103972918 222346628 /nfs/dbraw/zinc/34/66/28/222346628.db2.gz LWXKIFHXSXSFBI-NSHDSACASA-N 0 3 363.137 5.298 10 0 FKAEHN CC(C)CCCN[C@H](C)c1ccc(Br)cc1Br ZINC000103972924 222346879 /nfs/dbraw/zinc/34/68/79/222346879.db2.gz LWXKIFHXSXSFBI-LLVKDONJSA-N 0 3 363.137 5.298 10 0 FKAEHN CCC[C@@H](CC)N[C@@H](C)c1ccc(Br)cc1Br ZINC000103978771 209257102 /nfs/dbraw/zinc/25/71/02/209257102.db2.gz ZGVSGVBXXZKPFD-CMPLNLGQSA-N 0 3 363.137 5.441 10 0 FKAEHN CCC[C@H](CC)N[C@@H](C)c1ccc(Br)cc1Br ZINC000103978776 222347599 /nfs/dbraw/zinc/34/75/99/222347599.db2.gz ZGVSGVBXXZKPFD-JQWIXIFHSA-N 0 3 363.137 5.441 10 0 FKAEHN CCC[C@@H](CC)N[C@H](C)c1ccc(Br)cc1Br ZINC000103978780 222346538 /nfs/dbraw/zinc/34/65/38/222346538.db2.gz ZGVSGVBXXZKPFD-ZYHUDNBSSA-N 0 3 363.137 5.441 10 0 FKAEHN CCC[C@H](CC)N[C@H](C)c1ccc(Br)cc1Br ZINC000103978782 222346988 /nfs/dbraw/zinc/34/69/88/222346988.db2.gz ZGVSGVBXXZKPFD-PWSUYJOCSA-N 0 3 363.137 5.441 10 0 FKAEHN C[C@H](N[C@H]1CCC[C@@H]1C)c1ccc(Br)cc1Br ZINC000103987510 222347547 /nfs/dbraw/zinc/34/75/47/222347547.db2.gz JNHWAGOYMCOANS-BHDSKKPTSA-N 0 3 361.121 5.051 10 0 FKAEHN C[C@H](N[C@@H]1CCC[C@H]1C)c1ccc(Br)cc1Br ZINC000103987515 222347237 /nfs/dbraw/zinc/34/72/37/222347237.db2.gz JNHWAGOYMCOANS-ISTVAULSSA-N 0 3 361.121 5.051 10 0 FKAEHN C[C@H](N[C@@H]1CCC[C@@H]1C)c1ccc(Br)cc1Br ZINC000103987517 209256692 /nfs/dbraw/zinc/25/66/92/209256692.db2.gz JNHWAGOYMCOANS-PKFCDNJMSA-N 0 3 361.121 5.051 10 0 FKAEHN Clc1ccc(CCNCc2sccc2Br)c(Cl)c1 ZINC000103997498 209256970 /nfs/dbraw/zinc/25/69/70/209256970.db2.gz HOXMOLCAVXRNSB-UHFFFAOYSA-N 0 3 365.123 5.150 10 0 FKAEHN N[C@@H](c1ccc(Cl)cc1Cl)c1cc(Br)ccc1Cl ZINC000104002570 222348075 /nfs/dbraw/zinc/34/80/75/222348075.db2.gz REKXTIMZRLXNFM-ZDUSSCGKSA-N 0 3 365.485 5.457 10 0 FKAEHN N[C@H](c1ccc(Cl)cc1Cl)c1cc(Br)ccc1Cl ZINC000104002572 209258719 /nfs/dbraw/zinc/25/87/19/209258719.db2.gz REKXTIMZRLXNFM-CYBMUJFWSA-N 0 3 365.485 5.457 10 0 FKAEHN CCN[C@@H](c1ccc(Br)s1)c1cc2c(s1)CCCC2 ZINC000104007730 222349264 /nfs/dbraw/zinc/34/92/64/222349264.db2.gz XXFXMJZLLWLVLB-HNNXBMFYSA-N 0 3 356.354 5.150 10 0 FKAEHN CN[C@H](Cc1cccc(Br)c1)c1ccc(Cl)cc1Cl ZINC000104009345 222348575 /nfs/dbraw/zinc/34/85/75/222348575.db2.gz GUJGANORAMMEGX-OAHLLOKOSA-N 0 3 359.094 5.259 10 0 FKAEHN CN[C@@H](c1ccc(Br)c(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000104014392 206235659 /nfs/dbraw/zinc/23/56/59/206235659.db2.gz IBJHAXDHARMFEY-CQSZACIVSA-N 0 3 363.057 5.204 10 0 FKAEHN CN[C@H](c1ccc(Br)c(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000104014397 222348212 /nfs/dbraw/zinc/34/82/12/222348212.db2.gz IBJHAXDHARMFEY-AWEZNQCLSA-N 0 3 363.057 5.204 10 0 FKAEHN CCCN[C@H](c1ccc(Br)s1)c1ccc(C)c(Cl)c1 ZINC000104018301 206235676 /nfs/dbraw/zinc/23/56/76/206235676.db2.gz HPTOKTVMGRCBBP-HNNXBMFYSA-N 0 3 358.732 5.561 10 0 FKAEHN CCCN[C@@H](c1ccc(Br)s1)c1ccc(C)c(Cl)c1 ZINC000104018306 222349240 /nfs/dbraw/zinc/34/92/40/222349240.db2.gz HPTOKTVMGRCBBP-OAHLLOKOSA-N 0 3 358.732 5.561 10 0 FKAEHN Brc1cc(CNC2CCCCCCC2)oc1Br ZINC000104032818 222348930 /nfs/dbraw/zinc/34/89/30/222348930.db2.gz FBVBBVRUQOFFFM-UHFFFAOYSA-N 0 3 365.109 5.007 10 0 FKAEHN N[C@@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1F ZINC000104185469 206236323 /nfs/dbraw/zinc/23/63/23/206236323.db2.gz YWOUNFIUGSFWJI-AWEZNQCLSA-N 0 3 363.057 5.138 10 0 FKAEHN N[C@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1F ZINC000104185471 222352251 /nfs/dbraw/zinc/35/22/51/222352251.db2.gz YWOUNFIUGSFWJI-CQSZACIVSA-N 0 3 363.057 5.138 10 0 FKAEHN CCNCc1ccc(Br)cc1Sc1ccc(Cl)cc1 ZINC000104288500 222353553 /nfs/dbraw/zinc/35/35/53/222353553.db2.gz GTLHOHYWEAPCFD-UHFFFAOYSA-N 0 3 356.716 5.363 10 0 FKAEHN CCNCc1ccc(Br)cc1Sc1ccccc1Cl ZINC000104290826 222353797 /nfs/dbraw/zinc/35/37/97/222353797.db2.gz DSXFHHGJHVSSAR-UHFFFAOYSA-N 0 3 356.716 5.363 10 0 FKAEHN CN[C@@H](Cc1ccc(Cl)c(Cl)c1)c1sccc1Br ZINC000104300226 222355227 /nfs/dbraw/zinc/35/52/27/222355227.db2.gz XCXMLEZVXRFOQN-LBPRGKRZSA-N 0 3 365.123 5.321 10 0 FKAEHN CN[C@H](Cc1ccc(Cl)c(Cl)c1)c1sccc1Br ZINC000104300229 222356431 /nfs/dbraw/zinc/35/64/31/222356431.db2.gz XCXMLEZVXRFOQN-GFCCVEGCSA-N 0 3 365.123 5.321 10 0 FKAEHN Clc1ccc2nc(C3=CCN(Cc4ccccc4Cl)CC3)[nH]c2c1 ZINC000138164493 571127681 /nfs/dbraw/zinc/12/76/81/571127681.db2.gz IYRKNYURFAHXPY-UHFFFAOYSA-N 0 3 358.272 5.159 10 0 FKAEHN Clc1cc2nc(C3=CCN(Cc4ccccc4)CC3)oc2c(Cl)c1 ZINC000226250442 571276084 /nfs/dbraw/zinc/27/60/84/571276084.db2.gz ALVPHUYXCOYVOG-UHFFFAOYSA-N 0 3 359.256 5.424 10 0 FKAEHN c1ccc(CN2CC=C(c3nc4cc(-c5ccccc5)ccc4o3)CC2)cc1 ZINC000226250461 571276042 /nfs/dbraw/zinc/27/60/42/571276042.db2.gz RXPFQCADZQSCMF-UHFFFAOYSA-N 0 3 366.464 5.784 10 0 FKAEHN FC1(F)CCC(CCNCc2ccc(Cl)cc2Br)CC1 ZINC000725268946 570541829 /nfs/dbraw/zinc/54/18/29/570541829.db2.gz IDZAZWZFPCTDJE-UHFFFAOYSA-N 0 3 366.677 5.408 10 0 FKAEHN FC1(F)CCC(CCNCc2ccc(Br)cc2Cl)CC1 ZINC000725269435 570541765 /nfs/dbraw/zinc/54/17/65/570541765.db2.gz UBMXEZABDFGWBW-UHFFFAOYSA-N 0 3 366.677 5.408 10 0 FKAEHN