smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CCN(C(=O)CSc3nnc(-c4ccc(S(=O)(=O)N5CCCC5)cc4)o3)CC2)cc1 ZINC000000901905 551565476 /nfs/dbraw/zinc/56/54/76/551565476.db2.gz YEAGXNPAOVARNO-UHFFFAOYSA-N 0 0 543.671 2.971 40 10 KFCBRN CCOC(=O)c1ccc(OC)c2nc3c(c(O)c12)C(=O)c1nc2c(OC)ccc(C(=O)OCC)c2c(O)c1C3=O ZINC000005386040 552500294 /nfs/dbraw/zinc/50/02/94/552500294.db2.gz FMXPWJSXEAFLAN-UHFFFAOYSA-N 0 0 546.488 2.516 40 10 KFCBRN CC(=O)OC[C@H]1O[C@@H](N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000005396022 552500844 /nfs/dbraw/zinc/50/08/44/552500844.db2.gz OPMJIWCAYZDKKJ-SXVVZBAKSA-N 0 0 586.040 2.624 40 10 KFCBRN CC(=O)OC[C@@H]1O[C@@H](N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000005396023 552500873 /nfs/dbraw/zinc/50/08/73/552500873.db2.gz OPMJIWCAYZDKKJ-VXLQEKCDSA-N 0 0 586.040 2.624 40 10 KFCBRN CCC(C)(C)NC(=O)[C@@H](c1ccc(N(C)C)cc1)N(Cc1cccnc1)C(=O)c1snc(C(N)=O)c1N ZINC000006077417 552528801 /nfs/dbraw/zinc/52/88/01/552528801.db2.gz NAYQEEFKKIDELR-OAQYLSRUSA-N 0 0 523.663 2.974 40 10 KFCBRN CCC(C)(C)NC(=O)[C@H](c1ccc(N(C)C)cc1)N(Cc1cccnc1)C(=O)c1snc(C(N)=O)c1N ZINC000006077449 552528783 /nfs/dbraw/zinc/52/87/83/552528783.db2.gz NAYQEEFKKIDELR-NRFANRHFSA-N 0 0 523.663 2.974 40 10 KFCBRN CCOC(=O)CNC(=O)[C@@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)cc(C)c1 ZINC000006089327 552531295 /nfs/dbraw/zinc/53/12/95/552531295.db2.gz SXGZDVHPGHZSHS-HSZRJFAPSA-N 0 0 552.657 2.574 40 10 KFCBRN CCOC(=O)CNC(=O)[C@@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)ccc1C ZINC000006089328 552531271 /nfs/dbraw/zinc/53/12/71/552531271.db2.gz HTRDNLNCBGIZFP-HSZRJFAPSA-N 0 0 552.657 2.574 40 10 KFCBRN CCOC(=O)CNC(=O)[C@@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)c(C)c1 ZINC000006089329 552531249 /nfs/dbraw/zinc/53/12/49/552531249.db2.gz WTDZSEXDJIBZQA-HSZRJFAPSA-N 0 0 552.657 2.574 40 10 KFCBRN CCOC(=O)CNC(=O)[C@@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1C ZINC000006089336 552531212 /nfs/dbraw/zinc/53/12/12/552531212.db2.gz IFYNXRJQLQNXCQ-HSZRJFAPSA-N 0 0 552.657 2.574 40 10 KFCBRN CCOC(=O)CNC(=O)[C@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)cc(C)c1 ZINC000006089351 552531681 /nfs/dbraw/zinc/53/16/81/552531681.db2.gz SXGZDVHPGHZSHS-QHCPKHFHSA-N 0 0 552.657 2.574 40 10 KFCBRN CCOC(=O)CNC(=O)[C@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)ccc1C ZINC000006089352 552531709 /nfs/dbraw/zinc/53/17/09/552531709.db2.gz HTRDNLNCBGIZFP-QHCPKHFHSA-N 0 0 552.657 2.574 40 10 KFCBRN CCOC(=O)CNC(=O)[C@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)c(C)c1 ZINC000006089353 552531696 /nfs/dbraw/zinc/53/16/96/552531696.db2.gz WTDZSEXDJIBZQA-QHCPKHFHSA-N 0 0 552.657 2.574 40 10 KFCBRN CCOC(=O)CNC(=O)[C@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1C ZINC000006089360 552531662 /nfs/dbraw/zinc/53/16/62/552531662.db2.gz IFYNXRJQLQNXCQ-QHCPKHFHSA-N 0 0 552.657 2.574 40 10 KFCBRN CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(N(C)C)cc2)cc1 ZINC000006089824 552532833 /nfs/dbraw/zinc/53/28/33/552532833.db2.gz QYFVFBLZFPTWFB-URXFXBBRSA-N 0 0 566.684 2.972 40 10 KFCBRN CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(N(C)C)cc2)cc1 ZINC000006089825 552532806 /nfs/dbraw/zinc/53/28/06/552532806.db2.gz QYFVFBLZFPTWFB-QPPBQGQZSA-N 0 0 566.684 2.972 40 10 KFCBRN CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(N(C)C)cc2)cc1 ZINC000006089838 552532843 /nfs/dbraw/zinc/53/28/43/552532843.db2.gz QYFVFBLZFPTWFB-XUZZJYLKSA-N 0 0 566.684 2.972 40 10 KFCBRN CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(N(C)C)cc2)cc1 ZINC000006089839 552532835 /nfs/dbraw/zinc/53/28/35/552532835.db2.gz QYFVFBLZFPTWFB-ZJSXRUAMSA-N 0 0 566.684 2.972 40 10 KFCBRN CCOC(=O)CNC(=O)[C@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(CC)cc1 ZINC000006134743 552538261 /nfs/dbraw/zinc/53/82/61/552538261.db2.gz DGFBAGLZTUOAGT-QHCPKHFHSA-N 0 0 552.657 2.520 40 10 KFCBRN CCc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCOC)c2ccc(N(C)C)cc2)cc1 ZINC000006134747 552538235 /nfs/dbraw/zinc/53/82/35/552538235.db2.gz JYKDHFWVYBWOMD-QFIPXVFZSA-N 0 0 524.647 2.603 40 10 KFCBRN CCOC(=O)CNC(=O)[C@@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(CC)cc1 ZINC000006134772 552538644 /nfs/dbraw/zinc/53/86/44/552538644.db2.gz DGFBAGLZTUOAGT-HSZRJFAPSA-N 0 0 552.657 2.520 40 10 KFCBRN CCc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCOC)c2ccc(N(C)C)cc2)cc1 ZINC000006134774 552538630 /nfs/dbraw/zinc/53/86/30/552538630.db2.gz JYKDHFWVYBWOMD-JOCHJYFZSA-N 0 0 524.647 2.603 40 10 KFCBRN CCOC(=O)CNC(=O)[C@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1CC ZINC000006135413 552539502 /nfs/dbraw/zinc/53/95/02/552539502.db2.gz YFGIBVUMYKNCIE-QHCPKHFHSA-N 0 0 552.657 2.520 40 10 KFCBRN CCc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCCOC)c1ccc(N(C)C)cc1 ZINC000006135415 552539507 /nfs/dbraw/zinc/53/95/07/552539507.db2.gz HVENVBASDNJMQJ-QFIPXVFZSA-N 0 0 524.647 2.603 40 10 KFCBRN CCOC(=O)CNC(=O)[C@@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1CC ZINC000006135423 552539650 /nfs/dbraw/zinc/53/96/50/552539650.db2.gz YFGIBVUMYKNCIE-HSZRJFAPSA-N 0 0 552.657 2.520 40 10 KFCBRN CCc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCCOC)c1ccc(N(C)C)cc1 ZINC000006135425 552539573 /nfs/dbraw/zinc/53/95/73/552539573.db2.gz HVENVBASDNJMQJ-JOCHJYFZSA-N 0 0 524.647 2.603 40 10 KFCBRN CN(C)c1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2cccnc2)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000006135830 552539816 /nfs/dbraw/zinc/53/98/16/552539816.db2.gz BQKZRBFYGMWXSE-QFIPXVFZSA-N 0 0 521.647 2.728 40 10 KFCBRN CN(C)c1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccccc2)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000006135864 552540164 /nfs/dbraw/zinc/54/01/64/552540164.db2.gz KCTAERDGUNBAKQ-REWPJTCUSA-N 0 0 536.658 2.569 40 10 KFCBRN CN(C)c1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)cc1 ZINC000006135867 552540156 /nfs/dbraw/zinc/54/01/56/552540156.db2.gz VFXBEHCMMVXNET-UGKGYDQZSA-N 0 0 540.621 2.713 40 10 KFCBRN CN(C)c1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(F)c2)cc1 ZINC000006135869 552540178 /nfs/dbraw/zinc/54/01/78/552540178.db2.gz TUVUMIBOKXCOIB-UGKGYDQZSA-N 0 0 540.621 2.713 40 10 KFCBRN CN(C)c1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2)cc1 ZINC000006135871 552540114 /nfs/dbraw/zinc/54/01/14/552540114.db2.gz DIYJAWIFXCMYIO-UGKGYDQZSA-N 0 0 522.631 2.574 40 10 KFCBRN CN(C)c1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2F)cc1 ZINC000006135872 552540124 /nfs/dbraw/zinc/54/01/24/552540124.db2.gz SEWNDRMHHBRPMX-JTSKRJEESA-N 0 0 540.621 2.713 40 10 KFCBRN CN(C)c1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccccc2)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000006135873 552540154 /nfs/dbraw/zinc/54/01/54/552540154.db2.gz KCTAERDGUNBAKQ-OFNKIYASSA-N 0 0 536.658 2.569 40 10 KFCBRN CN(C)c1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)cc1 ZINC000006135876 552540109 /nfs/dbraw/zinc/54/01/09/552540109.db2.gz VFXBEHCMMVXNET-KNQAVFIVSA-N 0 0 540.621 2.713 40 10 KFCBRN CN(C)c1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(F)c2)cc1 ZINC000006135878 552540168 /nfs/dbraw/zinc/54/01/68/552540168.db2.gz TUVUMIBOKXCOIB-KNQAVFIVSA-N 0 0 540.621 2.713 40 10 KFCBRN CN(C)c1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2)cc1 ZINC000006135880 552540149 /nfs/dbraw/zinc/54/01/49/552540149.db2.gz DIYJAWIFXCMYIO-KNQAVFIVSA-N 0 0 522.631 2.574 40 10 KFCBRN CN(C)c1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2F)cc1 ZINC000006135881 552540136 /nfs/dbraw/zinc/54/01/36/552540136.db2.gz SEWNDRMHHBRPMX-VGSWGCGISA-N 0 0 540.621 2.713 40 10 KFCBRN CN(C)c1ccc([C@@H](C(=O)NCc2ccccc2)N(Cc2cccnc2)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000006135884 552540376 /nfs/dbraw/zinc/54/03/76/552540376.db2.gz VONZUDNFGGOZDQ-DEOSSOPVSA-N 0 0 543.653 2.985 40 10 KFCBRN CN(C)c1ccc([C@H](C(=O)NC2CCCC2)N(Cc2cccnc2)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000006135921 552540326 /nfs/dbraw/zinc/54/03/26/552540326.db2.gz BQKZRBFYGMWXSE-JOCHJYFZSA-N 0 0 521.647 2.728 40 10 KFCBRN CN(C)c1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccccc2)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000006135955 552540651 /nfs/dbraw/zinc/54/06/51/552540651.db2.gz KCTAERDGUNBAKQ-NZQKXSOJSA-N 0 0 536.658 2.569 40 10 KFCBRN CN(C)c1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)cc1 ZINC000006135958 552540613 /nfs/dbraw/zinc/54/06/13/552540613.db2.gz VFXBEHCMMVXNET-SIKLNZKXSA-N 0 0 540.621 2.713 40 10 KFCBRN CN(C)c1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(F)c2)cc1 ZINC000006135960 552540582 /nfs/dbraw/zinc/54/05/82/552540582.db2.gz TUVUMIBOKXCOIB-SIKLNZKXSA-N 0 0 540.621 2.713 40 10 KFCBRN CN(C)c1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2)cc1 ZINC000006135962 552540629 /nfs/dbraw/zinc/54/06/29/552540629.db2.gz DIYJAWIFXCMYIO-SIKLNZKXSA-N 0 0 522.631 2.574 40 10 KFCBRN CN(C)c1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2F)cc1 ZINC000006135963 552540575 /nfs/dbraw/zinc/54/05/75/552540575.db2.gz SEWNDRMHHBRPMX-HTAPYJJXSA-N 0 0 540.621 2.713 40 10 KFCBRN CN(C)c1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccccc2)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000006135964 552540601 /nfs/dbraw/zinc/54/06/01/552540601.db2.gz KCTAERDGUNBAKQ-NFBKMPQASA-N 0 0 536.658 2.569 40 10 KFCBRN CN(C)c1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)cc1 ZINC000006135967 552540609 /nfs/dbraw/zinc/54/06/09/552540609.db2.gz VFXBEHCMMVXNET-DENIHFKCSA-N 0 0 540.621 2.713 40 10 KFCBRN CN(C)c1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(F)c2)cc1 ZINC000006135969 552540646 /nfs/dbraw/zinc/54/06/46/552540646.db2.gz TUVUMIBOKXCOIB-DENIHFKCSA-N 0 0 540.621 2.713 40 10 KFCBRN CN(C)c1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2)cc1 ZINC000006135971 552540681 /nfs/dbraw/zinc/54/06/81/552540681.db2.gz DIYJAWIFXCMYIO-DENIHFKCSA-N 0 0 522.631 2.574 40 10 KFCBRN CN(C)c1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2F)cc1 ZINC000006135972 552540597 /nfs/dbraw/zinc/54/05/97/552540597.db2.gz SEWNDRMHHBRPMX-VGOFRKELSA-N 0 0 540.621 2.713 40 10 KFCBRN CN(C)c1ccc([C@H](C(=O)NCc2ccccc2)N(Cc2cccnc2)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000006135975 552540948 /nfs/dbraw/zinc/54/09/48/552540948.db2.gz VONZUDNFGGOZDQ-XMMPIXPASA-N 0 0 543.653 2.985 40 10 KFCBRN COCCNC(=O)[C@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)cc(C)c1 ZINC000006193899 552565824 /nfs/dbraw/zinc/56/58/24/552565824.db2.gz NBLYXYAUWMFTQL-QFIPXVFZSA-N 0 0 524.647 2.658 40 10 KFCBRN COCCNC(=O)[C@@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)cc(C)c1 ZINC000006193932 552565774 /nfs/dbraw/zinc/56/57/74/552565774.db2.gz NBLYXYAUWMFTQL-JOCHJYFZSA-N 0 0 524.647 2.658 40 10 KFCBRN COCCNC(=O)[C@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1C ZINC000006195226 552567048 /nfs/dbraw/zinc/56/70/48/552567048.db2.gz VIEIGAIZOIERSJ-QFIPXVFZSA-N 0 0 524.647 2.658 40 10 KFCBRN COCCNC(=O)[C@@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1C ZINC000006195257 552567338 /nfs/dbraw/zinc/56/73/38/552567338.db2.gz VIEIGAIZOIERSJ-JOCHJYFZSA-N 0 0 524.647 2.658 40 10 KFCBRN COCCNC(=O)[C@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)ccc1C ZINC000006195555 552567599 /nfs/dbraw/zinc/56/75/99/552567599.db2.gz WMSFFFQUAUULND-QFIPXVFZSA-N 0 0 524.647 2.658 40 10 KFCBRN COCCNC(=O)[C@@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)ccc1C ZINC000006195591 552567682 /nfs/dbraw/zinc/56/76/82/552567682.db2.gz WMSFFFQUAUULND-JOCHJYFZSA-N 0 0 524.647 2.658 40 10 KFCBRN COCCNC(=O)[C@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)c(C)c1 ZINC000006280322 552576234 /nfs/dbraw/zinc/57/62/34/552576234.db2.gz MNKOCIQVQSPMIC-QFIPXVFZSA-N 0 0 524.647 2.658 40 10 KFCBRN COCCNC(=O)[C@@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)c(C)c1 ZINC000006280345 193879361 /nfs/dbraw/zinc/87/93/61/193879361.db2.gz MNKOCIQVQSPMIC-JOCHJYFZSA-N 0 0 524.647 2.658 40 10 KFCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000006354103 1059782827 /nfs/dbraw/zinc/78/28/27/1059782827.db2.gz UMNDFHWTALFGQT-MGSPXPDISA-N 0 0 507.612 2.882 40 10 KFCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000006354116 1059782883 /nfs/dbraw/zinc/78/28/83/1059782883.db2.gz UMNDFHWTALFGQT-XPCGLTFESA-N 0 0 507.612 2.882 40 10 KFCBRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(N(C)C)cc2)c1 ZINC000006442194 552584549 /nfs/dbraw/zinc/58/45/49/552584549.db2.gz HIWZPNAOSVUXEC-REWPJTCUSA-N 0 0 536.658 2.882 40 10 KFCBRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(N(C)C)cc2)c1 ZINC000006442195 552584514 /nfs/dbraw/zinc/58/45/14/552584514.db2.gz HIWZPNAOSVUXEC-OFNKIYASSA-N 0 0 536.658 2.882 40 10 KFCBRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(N(C)C)cc2)c1 ZINC000006442233 552584826 /nfs/dbraw/zinc/58/48/26/552584826.db2.gz HIWZPNAOSVUXEC-NZQKXSOJSA-N 0 0 536.658 2.882 40 10 KFCBRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(N(C)C)cc2)c1 ZINC000006442236 552584805 /nfs/dbraw/zinc/58/48/05/552584805.db2.gz HIWZPNAOSVUXEC-NFBKMPQASA-N 0 0 536.658 2.882 40 10 KFCBRN COCCNC(=O)[C@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1C ZINC000006442790 552585144 /nfs/dbraw/zinc/58/51/44/552585144.db2.gz YKCXFVTVGCNGNA-QFIPXVFZSA-N 0 0 524.647 2.658 40 10 KFCBRN COCCNC(=O)[C@@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1C ZINC000006442826 552585161 /nfs/dbraw/zinc/58/51/61/552585161.db2.gz YKCXFVTVGCNGNA-JOCHJYFZSA-N 0 0 524.647 2.658 40 10 KFCBRN Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000006443963 552586381 /nfs/dbraw/zinc/58/63/81/552586381.db2.gz VNGKFEPVHILHKS-CVDCTZTESA-N 0 0 536.658 2.882 40 10 KFCBRN Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000006443967 552586343 /nfs/dbraw/zinc/58/63/43/552586343.db2.gz VNGKFEPVHILHKS-XXBNENTESA-N 0 0 536.658 2.882 40 10 KFCBRN Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000006444000 552586345 /nfs/dbraw/zinc/58/63/45/552586345.db2.gz VNGKFEPVHILHKS-WMZHIEFXSA-N 0 0 536.658 2.882 40 10 KFCBRN Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000006444002 552586316 /nfs/dbraw/zinc/58/63/16/552586316.db2.gz VNGKFEPVHILHKS-AUSIDOKSSA-N 0 0 536.658 2.882 40 10 KFCBRN COc1cc(/C=C2/SC(=S)N(CC(=O)N(CCO)Cc3ccccc3)C2=O)cc(OC)c1OC ZINC000008766074 553138641 /nfs/dbraw/zinc/13/86/41/553138641.db2.gz FDCDCDUGSHTDJM-DEDYPNTBSA-N 0 0 502.614 2.935 40 10 KFCBRN CCCCNC(=O)CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)NCCCC)C2=O)SC1=S ZINC000008819079 553153748 /nfs/dbraw/zinc/15/37/48/553153748.db2.gz FJBJEATXSCYTOL-FOCLMDBBSA-N 0 0 516.736 2.531 40 10 KFCBRN CC(C)(C)NC(=O)CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)NC(C)(C)C)C2=O)SC1=S ZINC000008819080 553153708 /nfs/dbraw/zinc/15/37/08/553153708.db2.gz TZJQFSZZPLDMEJ-BUHFOSPRSA-N 0 0 516.736 2.528 40 10 KFCBRN CCOC(=O)N1CCN(C(=O)CCCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)CC1 ZINC000008819485 553154211 /nfs/dbraw/zinc/15/42/11/553154211.db2.gz FGOHWBWCPFZOEU-CYVLTUHYSA-N 0 0 507.634 2.986 40 10 KFCBRN CCOC(=O)N1CCN(C(=O)CCCN2C(=O)/C(=C/c3ccc(C(=O)OC)cc3)SC2=S)CC1 ZINC000008819571 553154257 /nfs/dbraw/zinc/15/42/57/553154257.db2.gz XBVMRJVMDHOXPQ-SDXDJHTJSA-N 0 0 505.618 2.755 40 10 KFCBRN O=C(NN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)SC1=S)c1ccccc1 ZINC000008870058 553171444 /nfs/dbraw/zinc/17/14/44/553171444.db2.gz FBKFYIMGKYUYDC-BUHFOSPRSA-N 0 0 500.608 2.609 40 10 KFCBRN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3C[C@@H](C)O[C@H](C)C3)nc12 ZINC000008915483 553186305 /nfs/dbraw/zinc/18/63/05/553186305.db2.gz PFMKXYKEVOBINJ-KGMYCUHUSA-N 0 0 500.646 2.997 40 10 KFCBRN Cc1ccc2nc(N3C[C@@H](C)O[C@H](C)C3)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1 ZINC000009019847 553201249 /nfs/dbraw/zinc/20/12/49/553201249.db2.gz WRBQEILSEGXANK-ZETHUUBFSA-N 0 0 500.646 2.997 40 10 KFCBRN Cc1ccc2nc(N3C[C@@H](C)O[C@H](C)C3)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1 ZINC000009019848 553201139 /nfs/dbraw/zinc/20/11/39/553201139.db2.gz WRBQEILSEGXANK-DGFCRNNRSA-N 0 0 500.646 2.997 40 10 KFCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000009264821 553229601 /nfs/dbraw/zinc/22/96/01/553229601.db2.gz XOVDOZQAABVPEQ-LPYMAVHISA-N 0 0 507.572 2.581 40 10 KFCBRN O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCOCC2)cc1 ZINC000010113417 553329111 /nfs/dbraw/zinc/32/91/11/553329111.db2.gz HVYHSTLDBQLJQP-UHFFFAOYSA-N 0 0 523.611 2.806 40 10 KFCBRN O=C(CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000012659663 553411452 /nfs/dbraw/zinc/41/14/52/553411452.db2.gz WCAAKXYKKCDSNY-UTWFGLGRSA-N 0 0 509.609 2.814 40 10 KFCBRN CCOC(=O)/C=c1\s/c(=C\c2ccc(N(C)C)cc2)c(=O)n1Cc1cc(Cl)cc2c1OCOC2 ZINC000013027204 553436478 /nfs/dbraw/zinc/43/64/78/553436478.db2.gz AGZLQIYGDFUZKP-ZCNOQTDVSA-N 0 0 501.004 2.716 40 10 KFCBRN COc1ccc(N2CCN(C(=O)CSc3nnc(-c4ccc(NS(C)(=O)=O)cc4)o3)CC2)cc1 ZINC000013496169 553463924 /nfs/dbraw/zinc/46/39/24/553463924.db2.gz IYRNRPRAAUQDSC-UHFFFAOYSA-N 0 0 503.606 2.558 40 10 KFCBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCOCC2)cc1 ZINC000013670263 553481679 /nfs/dbraw/zinc/48/16/79/553481679.db2.gz NROOVSLCQXFCLN-UHFFFAOYSA-N 0 0 510.572 2.943 40 10 KFCBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCOCC2)cc1 ZINC000013671225 553482010 /nfs/dbraw/zinc/48/20/10/553482010.db2.gz HOFKOKQDUGWSIX-UHFFFAOYSA-N 0 0 510.572 2.943 40 10 KFCBRN CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(I)cc1 ZINC000013673448 553482280 /nfs/dbraw/zinc/48/22/80/553482280.db2.gz AKVSEKMIXFNSRF-UHFFFAOYSA-N 0 0 513.401 2.974 40 10 KFCBRN COc1ccc(N2CCN(C(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CC2)c([N+](=O)[O-])c1 ZINC000014273738 553506778 /nfs/dbraw/zinc/50/67/78/553506778.db2.gz SIDANHLHDMWDLY-UHFFFAOYSA-N 0 0 514.564 2.949 40 10 KFCBRN O=C(CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000016036781 553552343 /nfs/dbraw/zinc/55/23/43/553552343.db2.gz WCAAKXYKKCDSNY-FXMMDWOBSA-N 0 0 509.609 2.814 40 10 KFCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000016682434 553572387 /nfs/dbraw/zinc/57/23/87/553572387.db2.gz GHJGPHCLNLSTFC-MGSPXPDISA-N 0 0 507.612 2.882 40 10 KFCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000016682435 553572347 /nfs/dbraw/zinc/57/23/47/553572347.db2.gz GHJGPHCLNLSTFC-XPCGLTFESA-N 0 0 507.612 2.882 40 10 KFCBRN COc1ccc(N2CCN([C@@H](c3nnnn3C[C@@H]3CCCO3)c3cc4cc(C)ccc4[nH]c3=O)CC2)cc1 ZINC000019826199 193889693 /nfs/dbraw/zinc/88/96/93/193889693.db2.gz VGCIZXMTXLOGCZ-JYFHCDHNSA-N 0 0 515.618 2.922 40 10 KFCBRN COc1ccc(N2CCN([C@H](c3nnnn3C[C@@H]3CCCO3)c3cc4cc(C)ccc4[nH]c3=O)CC2)cc1 ZINC000019826203 553621746 /nfs/dbraw/zinc/62/17/46/553621746.db2.gz VGCIZXMTXLOGCZ-OZXSUGGESA-N 0 0 515.618 2.922 40 10 KFCBRN COc1ccc(N2CCN([C@@H](c3nnnn3C[C@H]3CCCO3)c3cc4cc(C)ccc4[nH]c3=O)CC2)cc1 ZINC000019826207 553622091 /nfs/dbraw/zinc/62/20/91/553622091.db2.gz VGCIZXMTXLOGCZ-ZEQKJWHPSA-N 0 0 515.618 2.922 40 10 KFCBRN COc1ccc(N2CCN([C@H](c3nnnn3C[C@H]3CCCO3)c3cc4cc(C)ccc4[nH]c3=O)CC2)cc1 ZINC000019826211 553621932 /nfs/dbraw/zinc/62/19/32/553621932.db2.gz VGCIZXMTXLOGCZ-BVAGGSTKSA-N 0 0 515.618 2.922 40 10 KFCBRN COc1ccc(N2CCN([C@@H](c3nnnn3C[C@@H]3CCCO3)c3cc4cccc(C)c4[nH]c3=O)CC2)cc1 ZINC000019826419 193889927 /nfs/dbraw/zinc/88/99/27/193889927.db2.gz IHDPARKNSIPZAR-JYFHCDHNSA-N 0 0 515.618 2.922 40 10 KFCBRN COc1ccc(N2CCN([C@H](c3nnnn3C[C@@H]3CCCO3)c3cc4cccc(C)c4[nH]c3=O)CC2)cc1 ZINC000019826422 553622013 /nfs/dbraw/zinc/62/20/13/553622013.db2.gz IHDPARKNSIPZAR-OZXSUGGESA-N 0 0 515.618 2.922 40 10 KFCBRN COc1ccc(N2CCN([C@@H](c3nnnn3C[C@H]3CCCO3)c3cc4cccc(C)c4[nH]c3=O)CC2)cc1 ZINC000019826425 193889905 /nfs/dbraw/zinc/88/99/05/193889905.db2.gz IHDPARKNSIPZAR-ZEQKJWHPSA-N 0 0 515.618 2.922 40 10 KFCBRN COc1ccc(N2CCN([C@H](c3nnnn3C[C@H]3CCCO3)c3cc4cccc(C)c4[nH]c3=O)CC2)cc1 ZINC000019826428 553622254 /nfs/dbraw/zinc/62/22/54/553622254.db2.gz IHDPARKNSIPZAR-BVAGGSTKSA-N 0 0 515.618 2.922 40 10 KFCBRN COc1ccc(N2CCN([C@@H](c3nnnn3C[C@@H]3CCCO3)c3cc4ccc(OC)cc4[nH]c3=O)CC2)cc1 ZINC000019940446 553639196 /nfs/dbraw/zinc/63/91/96/553639196.db2.gz MNTFFUJFVPWTIV-JYFHCDHNSA-N 0 0 531.617 2.622 40 10 KFCBRN COc1ccc(N2CCN([C@H](c3nnnn3C[C@@H]3CCCO3)c3cc4ccc(OC)cc4[nH]c3=O)CC2)cc1 ZINC000019940447 553639106 /nfs/dbraw/zinc/63/91/06/553639106.db2.gz MNTFFUJFVPWTIV-OZXSUGGESA-N 0 0 531.617 2.622 40 10 KFCBRN COc1ccc(N2CCN([C@@H](c3nnnn3C[C@H]3CCCO3)c3cc4ccc(OC)cc4[nH]c3=O)CC2)cc1 ZINC000019940448 553639249 /nfs/dbraw/zinc/63/92/49/553639249.db2.gz MNTFFUJFVPWTIV-ZEQKJWHPSA-N 0 0 531.617 2.622 40 10 KFCBRN COc1ccc(N2CCN([C@H](c3nnnn3C[C@H]3CCCO3)c3cc4ccc(OC)cc4[nH]c3=O)CC2)cc1 ZINC000019940449 553639237 /nfs/dbraw/zinc/63/92/37/553639237.db2.gz MNTFFUJFVPWTIV-BVAGGSTKSA-N 0 0 531.617 2.622 40 10 KFCBRN COc1ccc(N2CCN([C@@H](c3nnnn3C[C@@H]3CCCO3)c3cc4ccc(C)cc4[nH]c3=O)CC2)cc1 ZINC000019940602 553639937 /nfs/dbraw/zinc/63/99/37/553639937.db2.gz XQROCJMXCGCQBS-JYFHCDHNSA-N 0 0 515.618 2.922 40 10 KFCBRN COc1ccc(N2CCN([C@H](c3nnnn3C[C@@H]3CCCO3)c3cc4ccc(C)cc4[nH]c3=O)CC2)cc1 ZINC000019940603 553639919 /nfs/dbraw/zinc/63/99/19/553639919.db2.gz XQROCJMXCGCQBS-OZXSUGGESA-N 0 0 515.618 2.922 40 10 KFCBRN COc1ccc(N2CCN([C@@H](c3nnnn3C[C@H]3CCCO3)c3cc4ccc(C)cc4[nH]c3=O)CC2)cc1 ZINC000019940604 553639932 /nfs/dbraw/zinc/63/99/32/553639932.db2.gz XQROCJMXCGCQBS-ZEQKJWHPSA-N 0 0 515.618 2.922 40 10 KFCBRN COc1ccc(N2CCN([C@H](c3nnnn3C[C@H]3CCCO3)c3cc4ccc(C)cc4[nH]c3=O)CC2)cc1 ZINC000019940605 553639934 /nfs/dbraw/zinc/63/99/34/553639934.db2.gz XQROCJMXCGCQBS-BVAGGSTKSA-N 0 0 515.618 2.922 40 10 KFCBRN COc1ccc(N2CCN([C@@H](c3nnnn3C[C@@H]3CCCO3)c3cc4cc(OC)ccc4[nH]c3=O)CC2)cc1 ZINC000019940670 553640441 /nfs/dbraw/zinc/64/04/41/553640441.db2.gz VGPDJZRKTGNLHW-JYFHCDHNSA-N 0 0 531.617 2.622 40 10 KFCBRN COc1ccc(N2CCN([C@H](c3nnnn3C[C@@H]3CCCO3)c3cc4cc(OC)ccc4[nH]c3=O)CC2)cc1 ZINC000019940671 553640434 /nfs/dbraw/zinc/64/04/34/553640434.db2.gz VGPDJZRKTGNLHW-OZXSUGGESA-N 0 0 531.617 2.622 40 10 KFCBRN COc1ccc(N2CCN([C@@H](c3nnnn3C[C@H]3CCCO3)c3cc4cc(OC)ccc4[nH]c3=O)CC2)cc1 ZINC000019940672 553640457 /nfs/dbraw/zinc/64/04/57/553640457.db2.gz VGPDJZRKTGNLHW-ZEQKJWHPSA-N 0 0 531.617 2.622 40 10 KFCBRN COc1ccc(N2CCN([C@H](c3nnnn3C[C@H]3CCCO3)c3cc4cc(OC)ccc4[nH]c3=O)CC2)cc1 ZINC000019940673 553640459 /nfs/dbraw/zinc/64/04/59/553640459.db2.gz VGPDJZRKTGNLHW-BVAGGSTKSA-N 0 0 531.617 2.622 40 10 KFCBRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)N3CCN(c4ccc(OC)cc4)CC3)cc2c1 ZINC000019972956 553650315 /nfs/dbraw/zinc/65/03/15/553650315.db2.gz MEOICWCHPRAGFT-RUZDIDTESA-N 0 0 503.607 2.644 40 10 KFCBRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCOC)N3CCN(c4ccc(OC)cc4)CC3)cc2c1 ZINC000019972957 553650322 /nfs/dbraw/zinc/65/03/22/553650322.db2.gz MEOICWCHPRAGFT-VWLOTQADSA-N 0 0 503.607 2.644 40 10 KFCBRN COCCn1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000020083111 553683405 /nfs/dbraw/zinc/68/34/05/553683405.db2.gz XCVJYPLYTLRMEG-VWLOTQADSA-N 0 0 503.607 2.698 40 10 KFCBRN COCCn1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000020083114 553683369 /nfs/dbraw/zinc/68/33/69/553683369.db2.gz XCVJYPLYTLRMEG-RUZDIDTESA-N 0 0 503.607 2.698 40 10 KFCBRN COCCn1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000020083379 553683961 /nfs/dbraw/zinc/68/39/61/553683961.db2.gz KAFBCKVQDKJEEI-VWLOTQADSA-N 0 0 503.607 2.698 40 10 KFCBRN COCCn1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000020083382 553683932 /nfs/dbraw/zinc/68/39/32/553683932.db2.gz KAFBCKVQDKJEEI-RUZDIDTESA-N 0 0 503.607 2.698 40 10 KFCBRN COCCn1nnnc1[C@H](c1cc2c(C)cc(C)cc2[nH]c1=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000020083567 553684436 /nfs/dbraw/zinc/68/44/36/553684436.db2.gz KGDRBUWGKYTKOR-VWLOTQADSA-N 0 0 503.607 2.698 40 10 KFCBRN COCCn1nnnc1[C@@H](c1cc2c(C)cc(C)cc2[nH]c1=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000020083571 553684505 /nfs/dbraw/zinc/68/45/05/553684505.db2.gz KGDRBUWGKYTKOR-RUZDIDTESA-N 0 0 503.607 2.698 40 10 KFCBRN COCCn1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000020083676 553684443 /nfs/dbraw/zinc/68/44/43/553684443.db2.gz KENXUZBHFVCCJR-VWLOTQADSA-N 0 0 503.607 2.698 40 10 KFCBRN COCCn1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000020083680 553684430 /nfs/dbraw/zinc/68/44/30/553684430.db2.gz KENXUZBHFVCCJR-RUZDIDTESA-N 0 0 503.607 2.698 40 10 KFCBRN COc1ccc(N2CCN([C@@H](c3nnnn3C(C)(C)C)c3cc4cc5c(cc4[nH]c3=O)OCO5)CC2)cc1 ZINC000020084289 553685838 /nfs/dbraw/zinc/68/58/38/553685838.db2.gz NLKNIXKGHKYSGJ-XMMPIXPASA-N 0 0 517.590 2.919 40 10 KFCBRN COc1ccc(N2CCN([C@H](c3nnnn3C(C)(C)C)c3cc4cc5c(cc4[nH]c3=O)OCO5)CC2)cc1 ZINC000020084292 553685854 /nfs/dbraw/zinc/68/58/54/553685854.db2.gz NLKNIXKGHKYSGJ-DEOSSOPVSA-N 0 0 517.590 2.919 40 10 KFCBRN Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3C[C@@H](C)O[C@H](C)C3)nc12 ZINC000027016520 553823111 /nfs/dbraw/zinc/82/31/11/553823111.db2.gz PFMKXYKEVOBINJ-YVLPMYQXSA-N 0 0 500.646 2.997 40 10 KFCBRN COc1ccc(N2CCN(CCNC(=O)CCc3nnc4n3c3ccccc3c(=O)n4CCCOC(C)C)CC2)cc1 ZINC000029749213 553851232 /nfs/dbraw/zinc/85/12/32/553851232.db2.gz HZCRKXRLUBLGBW-UHFFFAOYSA-N 0 0 575.714 2.739 40 10 KFCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)Cn3c(=O)sc4ccccc43)C2=O)cc(OC)c1O ZINC000032594797 553869889 /nfs/dbraw/zinc/86/98/89/553869889.db2.gz GPQDRMQJKZUCOJ-SXGWCWSVSA-N 0 0 503.583 2.718 40 10 KFCBRN COc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)cc1 ZINC000041077747 554292986 /nfs/dbraw/zinc/29/29/86/554292986.db2.gz RGPLFQHVCAWXDC-JJEZRMFNSA-N 0 0 500.558 2.774 40 10 KFCBRN COc1cccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)c1 ZINC000041077756 554293236 /nfs/dbraw/zinc/29/32/36/554293236.db2.gz DOXKCODXVHRHJA-BIWIXZEJSA-N 0 0 500.558 2.774 40 10 KFCBRN COc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1 ZINC000041077759 554293229 /nfs/dbraw/zinc/29/32/29/554293229.db2.gz SVDLNXUUCNUOAJ-NRFXXVESSA-N 0 0 500.558 2.774 40 10 KFCBRN COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCOc1ccccc1 ZINC000041077760 554293260 /nfs/dbraw/zinc/29/32/60/554293260.db2.gz JDGCAPKLKYIWEG-OMLAYDHKSA-N 0 0 500.558 2.774 40 10 KFCBRN COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000041077812 554293402 /nfs/dbraw/zinc/29/34/02/554293402.db2.gz LFIGQACYFPLFQC-AIPGXAOUSA-N 0 0 515.529 2.804 40 10 KFCBRN COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000041077813 554293451 /nfs/dbraw/zinc/29/34/51/554293451.db2.gz XSALHUATSKYOOT-PRZRADHTSA-N 0 0 515.529 2.804 40 10 KFCBRN COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1ccc2c(c1)OCO2 ZINC000041077815 554293439 /nfs/dbraw/zinc/29/34/39/554293439.db2.gz SGQRZKNSWPCLHY-PASMBLJUSA-N 0 0 514.541 2.624 40 10 KFCBRN COc1ccc(C(=O)Oc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)cc1OC ZINC000041077841 554293415 /nfs/dbraw/zinc/29/34/15/554293415.db2.gz MJZSDKHBROIVSR-IQGAPNPZSA-N 0 0 514.541 2.544 40 10 KFCBRN COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OC(=O)c1ccccc1F ZINC000041077843 554293379 /nfs/dbraw/zinc/29/33/79/554293379.db2.gz CHNOQCJUTURGNK-MTLBIAMWSA-N 0 0 502.505 2.675 40 10 KFCBRN COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OC(=O)c1ccc(F)cc1 ZINC000041077848 554293424 /nfs/dbraw/zinc/29/34/24/554293424.db2.gz BPYCZAFUGDHYEP-WMYZHHRISA-N 0 0 502.505 2.675 40 10 KFCBRN COc1ccc(C(=O)Oc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2OC)cc1 ZINC000041077849 554293419 /nfs/dbraw/zinc/29/34/19/554293419.db2.gz YKQAERMUEKHRFG-IQGAPNPZSA-N 0 0 514.541 2.544 40 10 KFCBRN CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OC(=O)c1cccs1 ZINC000041077850 554293375 /nfs/dbraw/zinc/29/33/75/554293375.db2.gz ALEMIYJKIWFYKA-JXPCMBGASA-N 0 0 504.571 2.987 40 10 KFCBRN CCOc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OC(=O)c1ccco1 ZINC000041083999 554294163 /nfs/dbraw/zinc/29/41/63/554294163.db2.gz PFBPXMWXDNQIIC-DJCMSSBQSA-N 0 0 502.530 2.909 40 10 KFCBRN CCc1nn2c(nc(COc3ccc(/C=C4/C(=N)N5N=C(C)SC5=NC4=O)cc3OC)cc2=O)s1 ZINC000041107975 554295197 /nfs/dbraw/zinc/29/51/97/554295197.db2.gz AAEUNBVHVXJBRE-PASMBLJUSA-N 0 0 509.573 2.940 40 10 KFCBRN NC(=O)c1c2c(sc1NC(=S)NC(=O)C=Cc1ccc(N3CCOCC3)c([N+](=O)[O-])c1)CCC2 ZINC000057316653 554355642 /nfs/dbraw/zinc/35/56/42/554355642.db2.gz MCXJNUFMUWMLMB-FNORWQNLSA-N 0 0 501.590 2.607 40 10 KFCBRN Cn1c(COc2ccccc2)nnc1Sc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1[N+](=O)[O-] ZINC000059490110 554399076 /nfs/dbraw/zinc/39/90/76/554399076.db2.gz VERUPYRSZAOWEV-UHFFFAOYSA-N 0 0 508.516 2.887 40 10 KFCBRN O=c1cc(CN(Cc2ccc(N3CCOCC3)c(F)c2)Cc2ccc(N3CCOCC3)c(F)c2)nc(N2CCOCC2)[nH]1 ZINC000059531209 554406893 /nfs/dbraw/zinc/40/68/93/554406893.db2.gz CLTOJGDNOWQUBD-UHFFFAOYSA-N 0 0 596.679 2.760 40 10 KFCBRN COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1 ZINC000059929408 554477917 /nfs/dbraw/zinc/47/79/17/554477917.db2.gz VRQCNTSTDYVMEJ-RUZDIDTESA-N 0 0 539.654 2.951 40 10 KFCBRN COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1 ZINC000059929411 554478019 /nfs/dbraw/zinc/47/80/19/554478019.db2.gz VRQCNTSTDYVMEJ-VWLOTQADSA-N 0 0 539.654 2.951 40 10 KFCBRN COC[C@@H]1CCCN1c1ccc2c(c1)CNCC(=O)N1CC[C@@H](CC(=O)NCc3ccncc3)[C@@H](/C=C\CO2)C1 ZINC000067878963 554534436 /nfs/dbraw/zinc/53/44/36/554534436.db2.gz XMXKELGDWWERQE-VEHNPLLJSA-N 0 0 547.700 2.906 40 10 KFCBRN COc1ccc(CNC(=O)C[C@@H]2CCN3C[C@@H]2CCCOc2ccc(N4CCOCC4)cc2CNCC3=O)cc1 ZINC000072320693 553647954 /nfs/dbraw/zinc/64/79/54/553647954.db2.gz FIFDHYGHHWQDEG-DQEYMECFSA-N 0 0 550.700 2.965 40 10 KFCBRN COc1ccccc1CNC(=O)C[C@@H]1CCN2C[C@@H]1CCCOc1ccc(N3CCOCC3)cc1CNCC2=O ZINC000072320694 553647921 /nfs/dbraw/zinc/64/79/21/553647921.db2.gz OHRMKBIJFFYNSP-ZCYQVOJMSA-N 0 0 550.700 2.965 40 10 KFCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000078547120 553665414 /nfs/dbraw/zinc/66/54/14/553665414.db2.gz ULUSQUNCWUULBS-LBKCIFGTSA-N 0 0 519.623 2.644 40 10 KFCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000078547123 553665450 /nfs/dbraw/zinc/66/54/50/553665450.db2.gz ULUSQUNCWUULBS-QXHVWWCLSA-N 0 0 519.623 2.644 40 10 KFCBRN CC(=O)COCOC(=O)CN(CC(=O)OCOCC(C)=O)c1ccc(-c2cc3ccc(C(=O)OCOC(C)=O)cc3[nH]2)cc1 ZINC000095696900 553708446 /nfs/dbraw/zinc/70/84/46/553708446.db2.gz XLQNJLJDRRJLCB-UHFFFAOYSA-N 0 0 612.588 2.531 40 10 KFCBRN COc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2OC)cc1 ZINC000097964386 553897845 /nfs/dbraw/zinc/89/78/45/553897845.db2.gz LDBCEXIXGJNQCM-WPTKKBASSA-N 0 0 530.584 2.783 40 10 KFCBRN COc1cccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2OC)c1 ZINC000097964394 553897837 /nfs/dbraw/zinc/89/78/37/553897837.db2.gz FEUPBUHRZKHAMB-GQZSXMDHSA-N 0 0 530.584 2.783 40 10 KFCBRN COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(OC)c1OCc1ccc2c(c1)OCO2 ZINC000097964462 553898704 /nfs/dbraw/zinc/89/87/04/553898704.db2.gz MPVRRYDQBJSFAJ-QSSJZMPKSA-N 0 0 544.567 2.633 40 10 KFCBRN CS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)c(Cl)c3)C2=N)S1 ZINC000097964474 553898710 /nfs/dbraw/zinc/89/87/10/553898710.db2.gz KIAFCDKOPRLTEF-XCGHDDSDSA-N 0 0 524.989 2.729 40 10 KFCBRN CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000097964477 553898687 /nfs/dbraw/zinc/89/86/87/553898687.db2.gz JFWZWHRGTMVZLK-GJXXPDGXSA-N 0 0 548.624 2.783 40 10 KFCBRN COc1ccc(C(=O)Oc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2OC)cc1OC ZINC000097964517 553898972 /nfs/dbraw/zinc/89/89/72/553898972.db2.gz DZIBCRQSMDMEQH-LGAXMMIFSA-N 0 0 544.567 2.553 40 10 KFCBRN CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)c(Cl)c3)C(=N)N21 ZINC000097964520 553898953 /nfs/dbraw/zinc/89/89/53/553898953.db2.gz SYXFCYAZIXNTCH-XCGHDDSDSA-N 0 0 524.989 2.729 40 10 KFCBRN CCOc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000097964742 553900295 /nfs/dbraw/zinc/90/02/95/553900295.db2.gz FBTHYZYQTWEOCD-OMLAYDHKSA-N 0 0 548.624 2.864 40 10 KFCBRN CCS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=N)S1 ZINC000097964744 553900271 /nfs/dbraw/zinc/90/02/71/553900271.db2.gz URYOKBSBEZNZET-GJXXPDGXSA-N 0 0 548.624 2.783 40 10 KFCBRN CCS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3ccc(OC(=O)c4ccc(OC)cc4)c(OC)c3)C2=N)S1 ZINC000097964752 553900331 /nfs/dbraw/zinc/90/03/31/553900331.db2.gz QDSIGMBMJIONDX-MLDLNWIHSA-N 0 0 528.568 2.934 40 10 KFCBRN CCS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3ccc(OC(=O)c4cccc(OC)c4)c(OC)c3)C2=N)S1 ZINC000097964753 553900351 /nfs/dbraw/zinc/90/03/51/553900351.db2.gz QFNMTDMBZBKLNL-KMFLQCEESA-N 0 0 528.568 2.934 40 10 KFCBRN CCS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3ccc(OC(=O)c4ccc(OC)c(OC)c4)cc3)C2=N)S1 ZINC000097964781 553900713 /nfs/dbraw/zinc/90/07/13/553900713.db2.gz CLEKJXFTTBHXSV-MLDLNWIHSA-N 0 0 528.568 2.934 40 10 KFCBRN CCS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)C2=N)S1 ZINC000097964787 553900688 /nfs/dbraw/zinc/90/06/88/553900688.db2.gz HPQLBXRSQACSBX-SABKFZPKSA-N 0 0 518.598 2.774 40 10 KFCBRN CCOc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)cc(Cl)c1OS(C)(=O)=O ZINC000097964838 553901244 /nfs/dbraw/zinc/90/12/44/553901244.db2.gz PIHKBTWLUQXQEN-RHVZPXKPSA-N 0 0 549.052 2.725 40 10 KFCBRN CC(=O)OC[C@H]1O[C@@H](N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000097969044 553936219 /nfs/dbraw/zinc/93/62/19/553936219.db2.gz PEFMGIDTVYFVCQ-SXVVZBAKSA-N 0 0 630.491 2.733 40 10 KFCBRN CC(=O)OC[C@@H]1O[C@@H](N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000097969045 553936254 /nfs/dbraw/zinc/93/62/54/553936254.db2.gz 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CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(N(C)C)cc4)c(=O)n32)cc1OCC ZINC000408933232 1059586974 /nfs/dbraw/zinc/58/69/74/1059586974.db2.gz IQWOWFRHVXEDTQ-BJYRUZDYSA-N 0 0 507.612 2.882 40 10 KFCBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(N(C)C)cc4)c(=O)n32)cc1OCC ZINC000408933233 1059586937 /nfs/dbraw/zinc/58/69/37/1059586937.db2.gz IQWOWFRHVXEDTQ-JXCKLXDISA-N 0 0 507.612 2.882 40 10 KFCBRN COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000408964062 1059613419 /nfs/dbraw/zinc/61/34/19/1059613419.db2.gz FNSRTFKHPQTNLX-UHFFFAOYSA-N 0 0 565.389 2.916 40 10 KFCBRN CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(N(C)C)c([N+](=O)[O-])c3)c(=O)n21 ZINC000408974449 1059626304 /nfs/dbraw/zinc/62/63/04/1059626304.db2.gz ZICAQBFEVMXJSN-OWXSRONMSA-N 0 0 596.662 2.806 40 10 KFCBRN CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(N(C)C)c([N+](=O)[O-])c3)c(=O)n21 ZINC000408974454 1059627458 /nfs/dbraw/zinc/62/74/58/1059627458.db2.gz ZICAQBFEVMXJSN-ZMIGGIFCSA-N 0 0 596.662 2.806 40 10 KFCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000408983965 1059629584 /nfs/dbraw/zinc/62/95/84/1059629584.db2.gz LMQIMSRVKJSBEC-XOYGFPHKSA-N 0 0 523.611 2.587 40 10 KFCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000408983967 1059629707 /nfs/dbraw/zinc/62/97/07/1059629707.db2.gz LMQIMSRVKJSBEC-YJADQXIJSA-N 0 0 523.611 2.587 40 10 KFCBRN CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C3\C(=O)N(C(C)C)C(C)=C3C(=O)OC)o2)cc1 ZINC000409004776 1059029269 /nfs/dbraw/zinc/02/92/69/1059029269.db2.gz RELWWHKGRDFYGT-FYJGNVAPSA-N 0 0 523.542 2.792 40 10 KFCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000409007644 1059638852 /nfs/dbraw/zinc/63/88/52/1059638852.db2.gz PZXVDXFSANDIAV-ASSGYOTOSA-N 0 0 578.647 2.942 40 10 KFCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000409007649 1059029232 /nfs/dbraw/zinc/02/92/32/1059029232.db2.gz PZXVDXFSANDIAV-OGRZUZBBSA-N 0 0 578.647 2.942 40 10 KFCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000409008346 1059638656 /nfs/dbraw/zinc/63/86/56/1059638656.db2.gz WFYVYXRQKDHRGO-OWXSRONMSA-N 0 0 548.621 2.852 40 10 KFCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000409008347 1059638921 /nfs/dbraw/zinc/63/89/21/1059638921.db2.gz WFYVYXRQKDHRGO-ZMIGGIFCSA-N 0 0 548.621 2.852 40 10 KFCBRN CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1 ZINC000409011335 1059637979 /nfs/dbraw/zinc/63/79/79/1059637979.db2.gz GCTJERPAKRFPTC-HYARGMPZSA-N 0 0 509.559 2.860 40 10 KFCBRN O=C(CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O)N1CCN(c2ccccc2)CC1 ZINC000409012564 1059636952 /nfs/dbraw/zinc/63/69/52/1059636952.db2.gz KILHTKAOVRNKNT-HAVVHWLPSA-N 0 0 537.598 2.817 40 10 KFCBRN 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2.780 40 10 KFCBRN COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409044786 1059657495 /nfs/dbraw/zinc/65/74/95/1059657495.db2.gz DHPFERKCEZWGPI-UHFFFAOYSA-N 0 0 504.362 2.698 40 10 KFCBRN COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1 ZINC000409045194 1059657342 /nfs/dbraw/zinc/65/73/42/1059657342.db2.gz HZULBFLLIGQERI-UHFFFAOYSA-N 0 0 551.362 2.540 40 10 KFCBRN CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000409046681 1059656132 /nfs/dbraw/zinc/65/61/32/1059656132.db2.gz LEFUWPMXQAAQGU-UHFFFAOYSA-N 0 0 551.362 2.622 40 10 KFCBRN CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1 ZINC000409047681 1059664785 /nfs/dbraw/zinc/66/47/85/1059664785.db2.gz PSAYHLAEJIORDR-UHFFFAOYSA-N 0 0 565.389 2.930 40 10 KFCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000409052098 1059663600 /nfs/dbraw/zinc/66/36/00/1059663600.db2.gz GKUFSBNSUXYMJF-INZJWMLVSA-N 0 0 532.666 2.701 40 10 KFCBRN 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