smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](Oc1ccccc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000222870358 132277868 /nfs/dbraw/zinc/27/78/68/132277868.db2.gz UIQSHAUUDLFTNE-NRFANRHFSA-N 0 1 367.493 2.912 40 10 FFCBMN Cc1ccc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)nc1 ZINC000225777402 132286631 /nfs/dbraw/zinc/28/66/31/132286631.db2.gz AQEZSTFGGKLZGY-UHFFFAOYSA-N 0 1 355.511 2.628 40 10 FFCBMN Cc1ccc(CC(=O)NCc2ccc(N3CCN(C)CC3)cc2)c(C)c1 ZINC000224633846 132283570 /nfs/dbraw/zinc/28/35/70/132283570.db2.gz DZTWZEAMOPPBAD-UHFFFAOYSA-N 0 1 351.494 2.914 40 10 FFCBMN COc1cccc(C[N@@H+]2CCc3nc(-c4cccnc4)[n-]c(=O)c3C2)c1O ZINC000012122009 506819744 /nfs/dbraw/zinc/81/97/44/506819744.db2.gz AAAOYVMZAFJNPK-UHFFFAOYSA-N 0 1 364.405 2.517 40 10 FFCBMN COc1cccc(C[N@H+]2CCc3nc(-c4cccnc4)[n-]c(=O)c3C2)c1O ZINC000012122009 506819750 /nfs/dbraw/zinc/81/97/50/506819750.db2.gz AAAOYVMZAFJNPK-UHFFFAOYSA-N 0 1 364.405 2.517 40 10 FFCBMN COc1ccccc1NN=C(C(C)=O)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000100051626 508238076 /nfs/dbraw/zinc/23/80/76/508238076.db2.gz BWCSCOGVOJAQRL-PXFSWQRTSA-N 0 1 367.365 2.545 40 10 FFCBMN Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccccc1Cl ZINC000408994587 513096593 /nfs/dbraw/zinc/09/65/93/513096593.db2.gz GSBSAFGCGDSORD-LCYFTJDESA-N 0 1 357.797 2.839 40 10 FFCBMN COc1ccc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)cc1OC ZINC000000820707 206134856 /nfs/dbraw/zinc/13/48/56/206134856.db2.gz WPVUPOQCFQGYOA-RIYZIHGNSA-N 0 1 358.781 2.819 40 10 FFCBMN Cc1cccc(COc2ccc(Cl)cc2C=C2C(=O)NC(=O)NC2=O)c1 ZINC000408816751 513093778 /nfs/dbraw/zinc/09/37/78/513093778.db2.gz SFQCKKFWMUTTNM-UHFFFAOYSA-N 0 1 370.792 2.977 40 10 FFCBMN Cc1cc(C)cc(COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)c1 ZINC000408896569 513094852 /nfs/dbraw/zinc/09/48/52/513094852.db2.gz SAJHZIPCFLHFBE-UHFFFAOYSA-N 0 1 350.374 2.632 40 10 FFCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000208686465 571310125 /nfs/dbraw/zinc/31/01/25/571310125.db2.gz MVEKKQYVJWITSM-AQTBWJFISA-N 0 1 374.356 2.847 40 10 FFCBMN COc1ccc(N2CCN(C[C@@H](O)COc3cccc(C)c3C)CC2)cc1 ZINC000022573213 132267433 /nfs/dbraw/zinc/26/74/33/132267433.db2.gz MZDMBBZNOURPFJ-HXUWFJFHSA-N 0 1 370.493 2.874 40 10 FFCBMN COc1cc([N+](=O)[O-])cc(/C=C2\SC(=S)N(C3CC3)C2=O)c1O ZINC000036613129 506408243 /nfs/dbraw/zinc/40/82/43/506408243.db2.gz TZSLFQNOCXHONV-WZUFQYTHSA-N 0 1 352.393 2.673 40 10 FFCBMN O=c1ccc(N=Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c[nH]1 ZINC000016951632 507109681 /nfs/dbraw/zinc/10/96/81/507109681.db2.gz ZMHUMEVUWLVXSZ-FMQUCBEESA-N 0 1 356.367 2.793 40 10 FFCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(N2CCCC2)c(F)c1 ZINC000108058637 507876689 /nfs/dbraw/zinc/87/66/89/507876689.db2.gz RHBGPBHNGHMFRI-VBKFSLOCSA-N 0 1 351.381 2.887 40 10 FFCBMN CCc1cccc(C)c1NC=C1C(=O)NC(=O)N(Cc2ccco2)C1=O ZINC000105313162 508369706 /nfs/dbraw/zinc/36/97/06/508369706.db2.gz HCNBYBUJCKGRJC-GDNBJRDFSA-N 0 1 353.378 2.725 40 10 FFCBMN Cc1cccc(COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)c1 ZINC000408799792 513093896 /nfs/dbraw/zinc/09/38/96/513093896.db2.gz LEZQYVMSMSOTPO-UHFFFAOYSA-N 0 1 370.792 2.977 40 10 FFCBMN Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1cccc(C)c1C ZINC000409001921 513096803 /nfs/dbraw/zinc/09/68/03/513096803.db2.gz XZGUFBPNQDUQOS-YBEGLDIGSA-N 0 1 351.406 2.803 40 10 FFCBMN CC(C)COc1c(Cl)cc(Cl)cc1C=C1C(=O)NC(=O)NC1=O ZINC000409045310 513097760 /nfs/dbraw/zinc/09/77/60/513097760.db2.gz GESMGCLPCHFKKC-UHFFFAOYSA-N 0 1 357.193 2.778 40 10 FFCBMN CCN(CC)c1ccc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)cc1 ZINC000409204481 513100294 /nfs/dbraw/zinc/10/02/94/513100294.db2.gz HYDWFDZHCPNUJR-LGMDPLHJSA-N 0 1 355.438 2.937 40 10 FFCBMN CCn1cccc1/C=C1\C(=O)NC(=S)N(c2cc(C)ccc2C)C1=O ZINC000409253144 513101152 /nfs/dbraw/zinc/10/11/52/513101152.db2.gz YUYNQIRQGLFLTA-RVDMUPIBSA-N 0 1 353.447 2.956 40 10 FFCBMN CCOC(=O)c1ccc(N2NC(=O)/C(=C\c3ccc(C)cc3)C2=O)cc1 ZINC000005444394 206239695 /nfs/dbraw/zinc/23/96/95/206239695.db2.gz QWVNIEQEYHSWCA-SFQUDFHCSA-N 0 1 350.374 2.633 40 10 FFCBMN O=C1NC(=O)C(=Cc2cc(Cl)ccc2Cc2cccc(F)c2)C(=O)N1 ZINC000408884404 513094913 /nfs/dbraw/zinc/09/49/13/513094913.db2.gz XPXIVAMGFYUXLZ-UHFFFAOYSA-N 0 1 358.756 2.819 40 10 FFCBMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)c1 ZINC000408916475 513095800 /nfs/dbraw/zinc/09/58/00/513095800.db2.gz CXQPYQOLOCYAKT-YBEGLDIGSA-N 0 1 370.405 2.974 40 10 FFCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(O)cc3)C(=O)NC2=S)c1 ZINC000409252374 513100505 /nfs/dbraw/zinc/10/05/05/513100505.db2.gz XLXGNJVQCRJCPY-XNTDXEJSSA-N 0 1 352.415 2.840 40 10 FFCBMN CCOc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC ZINC000409399501 513102318 /nfs/dbraw/zinc/10/23/18/513102318.db2.gz JFQQFQNTAVGGKP-GDNBJRDFSA-N 0 1 368.389 2.564 40 10 FFCBMN CCOc1cccc(N2C(=O)/C(=C/c3ccc(C)o3)C(=O)NC2=S)c1 ZINC000408742389 263495496 /nfs/dbraw/zinc/49/54/96/263495496.db2.gz QVVGIKPYVSHFCB-XNTDXEJSSA-N 0 1 356.403 2.818 40 10 FFCBMN NC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)o2)cc1 ZINC000032099656 506232057 /nfs/dbraw/zinc/23/20/57/506232057.db2.gz PHOBAAXVERHZEV-ATVHPVEESA-N 0 1 373.368 2.507 40 10 FFCBMN Cc1cc([C@H](O)CN2CCN(c3ccc4c(c3)OCCO4)CC2)c(C)s1 ZINC000019567899 507180871 /nfs/dbraw/zinc/18/08/71/507180871.db2.gz ISKHZXWVXCAWEE-GOSISDBHSA-N 0 1 374.506 2.992 40 10 FFCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=CNc1ccc(F)c(Cl)c1 ZINC000107955945 507873703 /nfs/dbraw/zinc/87/37/03/507873703.db2.gz DNMOFEQJFZOHPW-XFFZJAGNSA-N 0 1 363.732 2.647 40 10 FFCBMN CCc1ccc(N2C(=O)/C(=C/c3cccn3CC)C(=O)NC2=S)cc1 ZINC000409372155 513101880 /nfs/dbraw/zinc/10/18/80/513101880.db2.gz YFGZMZDAMPCTGV-FOWTUZBSSA-N 0 1 353.447 2.902 40 10 FFCBMN CN1CCN(c2ccc(CNC(=O)Cc3ccccc3Cl)cc2)CC1 ZINC000225441849 132284954 /nfs/dbraw/zinc/28/49/54/132284954.db2.gz OIRJVEAQOVGBHQ-UHFFFAOYSA-N 0 1 357.885 2.951 40 10 FFCBMN CCN1C(=O)C(=Cc2cc(Br)cc(Cl)c2O)NC1=S ZINC000409005478 263516975 /nfs/dbraw/zinc/51/69/75/263516975.db2.gz DZABLVQYVIPVLR-WTKPLQERSA-N 0 1 361.648 2.886 40 10 FFCBMN COc1ccc(N2CCN(C[C@@H](O)c3ccc4c(c3)C[C@H](C)O4)CC2)cc1 ZINC000019498027 507172245 /nfs/dbraw/zinc/17/22/45/507172245.db2.gz LBFWXCBHPHJRMG-HRAATJIYSA-N 0 1 368.477 2.874 40 10 FFCBMN CCN1c2cc(C)c(C=C3C(=O)NC(=O)NC3=O)cc2[C@@H](C)CC1(C)C ZINC000113790355 535785029 /nfs/dbraw/zinc/78/50/29/535785029.db2.gz SNWUHZASQKSLKF-LBPRGKRZSA-N 0 1 355.438 2.857 40 10 FFCBMN COC(=O)CC1=NN(c2ccccc2)C(=O)C1=C(C)N=c1cccc[nH]1 ZINC000101834081 508258570 /nfs/dbraw/zinc/25/85/70/508258570.db2.gz QJZQTKMOKUMERL-QGOAFFKASA-N 0 1 350.378 2.733 40 10 FFCBMN C[C@@H](c1c2c(ccc1O)C(=O)CO2)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000206047183 571319744 /nfs/dbraw/zinc/31/97/44/571319744.db2.gz VOVKCPHRLBTVTP-LBPRGKRZSA-N 0 1 362.426 2.581 40 10 FFCBMN Cc1nn(-c2cccc3ccccc32)c(C)c1/C=C1/C(=O)NC(=O)N(C)C1=O ZINC000408757459 513093625 /nfs/dbraw/zinc/09/36/25/513093625.db2.gz NNHWYDNVCSRNTH-GZTJUZNOSA-N 0 1 374.400 2.734 40 10 FFCBMN C[C@@H]1[C@@H](C)CCC[C@@H]1NC=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O ZINC000020462964 507223058 /nfs/dbraw/zinc/22/30/58/507223058.db2.gz XJMUZMBWWFXJKP-DERFLQBDSA-N 0 1 355.438 2.563 40 10 FFCBMN COc1ccc(C=C2C(=O)NC(=O)NC2=O)c(Cc2ccccc2Cl)c1 ZINC000408870433 513094373 /nfs/dbraw/zinc/09/43/73/513094373.db2.gz DONATBHDHZMBFK-UHFFFAOYSA-N 0 1 370.792 2.689 40 10 FFCBMN COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OC(C)C ZINC000033701837 506361677 /nfs/dbraw/zinc/36/16/77/506361677.db2.gz GVANKWSRWFLLMV-VBKFSLOCSA-N 0 1 352.390 2.944 40 10 FFCBMN COC(=O)c1ccccc1/C=C1\C(=O)NN(c2ccc(C)c(C)c2)C1=O ZINC000059475163 507500714 /nfs/dbraw/zinc/50/07/14/507500714.db2.gz FAXIBLLLAPXVGG-GZTJUZNOSA-N 0 1 350.374 2.551 40 10 FFCBMN O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNC1CCCC1 ZINC000108294918 507884576 /nfs/dbraw/zinc/88/45/76/507884576.db2.gz UJQNCQPGLYVYFA-FLIBITNWSA-N 0 1 367.833 2.643 40 10 FFCBMN CCOc1cccc(N2C(=O)/C(=C/c3ccc(O)cc3)C(=O)NC2=S)c1 ZINC000408739616 513092598 /nfs/dbraw/zinc/09/25/98/513092598.db2.gz DEJBCPJRRGNNLH-MHWRWJLKSA-N 0 1 368.414 2.622 40 10 FFCBMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1Cc1cccc(F)c1 ZINC000408868785 513094867 /nfs/dbraw/zinc/09/48/67/513094867.db2.gz ORZWHUFJPIEXPJ-UHFFFAOYSA-N 0 1 368.364 2.565 40 10 FFCBMN COc1cccc(/C=C2\C(=O)NN(c3cccc(Br)c3)C2=O)c1 ZINC000005514595 207103572 /nfs/dbraw/zinc/10/35/72/207103572.db2.gz NFRWMZPBJFWOCA-OQLLNIDSSA-N 0 1 373.206 2.919 40 10 FFCBMN CCOc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(OCC)c1 ZINC000409400225 263555895 /nfs/dbraw/zinc/55/58/95/263555895.db2.gz QPYQUUMZAGHIEX-ATVHPVEESA-N 0 1 352.390 2.945 40 10 FFCBMN COc1ccc(/C=C2/C(=O)NN(c3cccc(Br)c3)C2=O)cc1 ZINC000005513469 506445959 /nfs/dbraw/zinc/44/59/59/506445959.db2.gz LLAPJAUZXLRRFV-DHDCSXOGSA-N 0 1 373.206 2.919 40 10 FFCBMN CCCCNC=C1C(=O)NC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000109776747 507986409 /nfs/dbraw/zinc/98/64/09/507986409.db2.gz GFTQZPWITRHPPJ-NTMALXAHSA-N 0 1 355.822 2.500 40 10 FFCBMN COc1ccc(N2C(=O)/C(=C\c3ccccc3C)C(=O)NC2=S)cc1 ZINC000408764505 513093521 /nfs/dbraw/zinc/09/35/21/513093521.db2.gz UGIRYEQNEWCZQY-WJDWOHSUSA-N 0 1 352.415 2.835 40 10 FFCBMN C=CCOc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000033551735 506359910 /nfs/dbraw/zinc/35/99/10/506359910.db2.gz JGFRELXWNLLDPD-QINSGFPZSA-N 0 1 365.345 2.621 40 10 FFCBMN Cc1cccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)n1 ZINC000409352253 513101734 /nfs/dbraw/zinc/10/17/34/513101734.db2.gz WXGQVASXSDNGMB-XYOKQWHBSA-N 0 1 361.473 2.998 40 10 FFCBMN COc1ccc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000225775895 132286508 /nfs/dbraw/zinc/28/65/08/132286508.db2.gz WYMIJHNXYXKVSL-UHFFFAOYSA-N 0 1 370.522 2.934 40 10 FFCBMN CCOC(=O)Cn1cc(C=C2C(=O)NC(=O)N(CC)C2=O)c2ccccc21 ZINC000005947734 506463085 /nfs/dbraw/zinc/46/30/85/506463085.db2.gz XYMXALLQWPWOKS-NTEUORMPSA-N 0 1 369.377 2.526 40 10 FFCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(O)cc1O ZINC000059135789 507494413 /nfs/dbraw/zinc/49/44/13/507494413.db2.gz BAGOAHNAVLTTGH-YRNVUSSQSA-N 0 1 358.350 2.909 40 10 FFCBMN COc1cccc2c(C=C3C(=O)NC(=O)NC3=O)c(-c3ccccc3)[nH]c21 ZINC000408849291 513094981 /nfs/dbraw/zinc/09/49/81/513094981.db2.gz ZIVDJXAXVDEJOX-UHFFFAOYSA-N 0 1 361.357 2.593 40 10 FFCBMN COc1cccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c1 ZINC000408917841 513095790 /nfs/dbraw/zinc/09/57/90/513095790.db2.gz BUYJDEHJBPHMOG-GDNBJRDFSA-N 0 1 356.378 2.666 40 10 FFCBMN Cc1ccc(N2C(=O)/C(=C/c3cccn3C)C(=O)NC2=S)cc1Cl ZINC000409231960 513101242 /nfs/dbraw/zinc/10/12/42/513101242.db2.gz LZCSOQSTIFASCV-MDWZMJQESA-N 0 1 359.838 2.818 40 10 FFCBMN [O-]c1c(F)cccc1C[N@@H+]1C[C@H](c2ccc(Cl)cc2)[C@@H](O)[C@H]1CO ZINC000585292702 518557246 /nfs/dbraw/zinc/55/72/46/518557246.db2.gz NNPVDAKSKQFYFZ-QGPMSJSTSA-N 0 1 351.805 2.506 40 10 FFCBMN CCc1ccc(OCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000217011909 524004179 /nfs/dbraw/zinc/00/41/79/524004179.db2.gz WRIPPHITAIYLHW-UHFFFAOYSA-N 0 1 367.493 2.696 40 10 FFCBMN C[C@H](c1c2c(ccc1O)C(=O)CO2)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000206047212 571319740 /nfs/dbraw/zinc/31/97/40/571319740.db2.gz VOVKCPHRLBTVTP-GFCCVEGCSA-N 0 1 362.426 2.581 40 10 FFCBMN COc1ccc(N2CCN(C[C@H](O)COc3cccc(C)c3C)CC2)cc1 ZINC000022573219 132267483 /nfs/dbraw/zinc/26/74/83/132267483.db2.gz MZDMBBZNOURPFJ-FQEVSTJZSA-N 0 1 370.493 2.874 40 10 FFCBMN COc1cccc(NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000225764322 132286499 /nfs/dbraw/zinc/28/64/99/132286499.db2.gz UNHQUNLELFKVMK-UHFFFAOYSA-N 0 1 354.454 2.769 40 10 FFCBMN Cc1ccnc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000225777464 132286652 /nfs/dbraw/zinc/28/66/52/132286652.db2.gz DIAWXWKWINQVPB-UHFFFAOYSA-N 0 1 355.511 2.628 40 10 FFCBMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OC ZINC000002773651 132384028 /nfs/dbraw/zinc/38/40/28/132384028.db2.gz NCZMQVYSALFPRC-UVTDQMKNSA-N 0 1 368.414 2.535 40 10 FFCBMN COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OC ZINC000033657850 506361665 /nfs/dbraw/zinc/36/16/65/506361665.db2.gz NOPQFULJQGLESO-ZROIWOOFSA-N 0 1 358.781 2.819 40 10 FFCBMN COc1ccc(N2C(=O)/C(=C\c3ccc(C)cc3)C(=O)NC2=S)cc1 ZINC000408755443 513093972 /nfs/dbraw/zinc/09/39/72/513093972.db2.gz NTHFLOBJQAKYGO-WJDWOHSUSA-N 0 1 352.415 2.835 40 10 FFCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)o3)C(=O)NC2=S)cc1 ZINC000409375042 263552204 /nfs/dbraw/zinc/55/22/04/263552204.db2.gz DQCXNTRCKKMGNC-RVDMUPIBSA-N 0 1 369.446 2.739 40 10 FFCBMN C[C@H]1[C@H](NC=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)CCC[C@@H]1C ZINC000002453664 506279597 /nfs/dbraw/zinc/27/95/97/506279597.db2.gz XJMUZMBWWFXJKP-KXDHLYFOSA-N 0 1 355.438 2.563 40 10 FFCBMN CCn1cccc1/C=C1\C(=O)NC(=S)N(c2cc(C)cc(C)c2)C1=O ZINC000409009586 513097706 /nfs/dbraw/zinc/09/77/06/513097706.db2.gz GMYIDOBEGDWYSH-LFIBNONCSA-N 0 1 353.447 2.956 40 10 FFCBMN CCCN1C(=O)/C(=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)SC1=S ZINC000409341239 513100667 /nfs/dbraw/zinc/10/06/67/513100667.db2.gz AMSMLZISNDVPQQ-XFFZJAGNSA-N 0 1 354.409 2.920 40 10 FFCBMN Cc1cc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)ccc1[N+](=O)[O-] ZINC000216930397 524105916 /nfs/dbraw/zinc/10/59/16/524105916.db2.gz FCFRLJDYGQALKY-UHFFFAOYSA-N 0 1 368.437 2.585 40 10 FFCBMN CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(N)=O)cc1 ZINC000002399816 210396829 /nfs/dbraw/zinc/39/68/29/210396829.db2.gz DZRKLZVYCUHLEK-JBACZVJFSA-N 0 1 359.514 2.686 40 10 FFCBMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cccc(O)c1 ZINC000408723232 263491318 /nfs/dbraw/zinc/49/13/18/263491318.db2.gz ROGSRIDOHATTDQ-RIYZIHGNSA-N 0 1 358.806 2.877 40 10 FFCBMN CCOc1ccc(/C=C2/C(=O)NN(c3ccc(Cl)cc3)C2=O)cc1O ZINC000005475724 506443758 /nfs/dbraw/zinc/44/37/58/506443758.db2.gz ODWIWSXKPBVHGM-ZROIWOOFSA-N 0 1 358.781 2.906 40 10 FFCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(O)cc3)C(=O)NC2=S)cc1 ZINC000005954363 506463632 /nfs/dbraw/zinc/46/36/32/506463632.db2.gz SAAMQLQKYNMOIW-LFIBNONCSA-N 0 1 352.415 2.786 40 10 FFCBMN COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1Cc1cc(C)cc(C)c1 ZINC000408867373 513094904 /nfs/dbraw/zinc/09/49/04/513094904.db2.gz IKWIAILLWHIYQY-UHFFFAOYSA-N 0 1 364.401 2.652 40 10 FFCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1O ZINC000409247208 513100901 /nfs/dbraw/zinc/10/09/01/513100901.db2.gz GUWMAYFKTLCGKS-UKTHLTGXSA-N 0 1 368.414 2.541 40 10 FFCBMN COc1cc(N2CCCC2)ccc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000033478010 506357604 /nfs/dbraw/zinc/35/76/04/506357604.db2.gz QWQFUMGCPGBQAM-AQTBWJFISA-N 0 1 363.417 2.757 40 10 FFCBMN CSc1ccccc1NC=C1C(=O)NC(=O)N(Cc2ccco2)C1=O ZINC000408547082 513086251 /nfs/dbraw/zinc/08/62/51/513086251.db2.gz SMUSQYRSQFIXCV-XFXZXTDPSA-N 0 1 357.391 2.576 40 10 FFCBMN CCOc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C)C3=O)c2C)cc1 ZINC000409000048 513096532 /nfs/dbraw/zinc/09/65/32/513096532.db2.gz MGVJLXBNFULBBW-BOPFTXTBSA-N 0 1 367.405 2.584 40 10 FFCBMN COc1cc([N+](=O)[O-])cc(/C=C2\SC(=S)N(C(C)C)C2=O)c1O ZINC000036613146 211124018 /nfs/dbraw/zinc/12/40/18/211124018.db2.gz CVBONNKIPOZELW-WZUFQYTHSA-N 0 1 354.409 2.919 40 10 FFCBMN C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(C=C3C(=O)NC(=O)NC3=O)cc21 ZINC000113778575 132246887 /nfs/dbraw/zinc/24/68/87/132246887.db2.gz VBVPLXBDLPBNIU-SECBINFHSA-N 0 1 361.829 2.811 40 10 FFCBMN CC(=O)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl ZINC000034761210 506370784 /nfs/dbraw/zinc/37/07/84/506370784.db2.gz OBMOBCDCQYUMOI-ZROIWOOFSA-N 0 1 356.765 2.727 40 10 FFCBMN COc1ccc(N2CCN(C[C@@H](O)c3ccc4c(c3)C[C@@H](C)O4)CC2)cc1 ZINC000019498029 507172451 /nfs/dbraw/zinc/17/24/51/507172451.db2.gz LBFWXCBHPHJRMG-IIBYNOLFSA-N 0 1 368.477 2.874 40 10 FFCBMN CCn1cccc1/C=C1\C(=O)NC(=S)N(c2ccccc2Cl)C1=O ZINC000409228244 513100921 /nfs/dbraw/zinc/10/09/21/513100921.db2.gz WHZKRBCOLPIUIR-ZRDIBKRKSA-N 0 1 359.838 2.993 40 10 FFCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc([N+](=O)[O-])o1 ZINC000059135988 507495111 /nfs/dbraw/zinc/49/51/11/507495111.db2.gz OVFZVOXVTGIELW-VQHVLOKHSA-N 0 1 361.310 2.999 40 10 FFCBMN COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=C3\NC(=O)NC3=O)c2C)c1 ZINC000408814048 513093715 /nfs/dbraw/zinc/09/37/15/513093715.db2.gz RBADEXFTICPKEB-AUWJEWJLSA-N 0 1 373.796 2.714 40 10 FFCBMN COc1ccc(C=C2C(=O)NC(=O)NC2=O)c(Cc2cc(C)cc(C)c2)c1 ZINC000408883478 513094712 /nfs/dbraw/zinc/09/47/12/513094712.db2.gz REXBWFDPEVHEAA-UHFFFAOYSA-N 0 1 364.401 2.652 40 10 FFCBMN CCOc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCC ZINC000409408983 263556831 /nfs/dbraw/zinc/55/68/31/263556831.db2.gz SISNGNMRLTZPTQ-VBKFSLOCSA-N 0 1 352.390 2.945 40 10 FFCBMN COc1ccc(OC)c(/C=C2/C(=O)NN(c3ccc(Cl)cc3)C2=O)c1 ZINC000016215205 211156777 /nfs/dbraw/zinc/15/67/77/211156777.db2.gz YBRMJTJIGXFSLG-GDNBJRDFSA-N 0 1 358.781 2.819 40 10 FFCBMN CCN1c2cc(C)c(C=C3C(=O)NC(=O)NC3=O)cc2[C@H](C)CC1(C)C ZINC000113790352 508282861 /nfs/dbraw/zinc/28/28/61/508282861.db2.gz SNWUHZASQKSLKF-GFCCVEGCSA-N 0 1 355.438 2.857 40 10 FFCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1C ZINC000408781966 513093924 /nfs/dbraw/zinc/09/39/24/513093924.db2.gz URMAPSNDPGSYSG-XNTDXEJSSA-N 0 1 353.447 2.782 40 10 FFCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cccn2C)C(=O)NC1=S ZINC000409104408 513098716 /nfs/dbraw/zinc/09/87/16/513098716.db2.gz ZFEFEGWIKSEZSL-FMIVXFBMSA-N 0 1 359.838 2.818 40 10 FFCBMN Cc1cccc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000225777435 132286610 /nfs/dbraw/zinc/28/66/10/132286610.db2.gz LIFUHVLGALOCCQ-UHFFFAOYSA-N 0 1 355.511 2.628 40 10 FFCBMN Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000033664955 506361708 /nfs/dbraw/zinc/36/17/08/506361708.db2.gz YLAGNAJAQDYZMW-UYRXBGFRSA-N 0 1 358.401 2.951 40 10 FFCBMN Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1cc(C)ccc1C ZINC000408996183 513096643 /nfs/dbraw/zinc/09/66/43/513096643.db2.gz LIIUVFUFYKYALD-YBEGLDIGSA-N 0 1 351.406 2.803 40 10 FFCBMN [O-]c1c(C[N@@H+]2C[C@H](c3ccccc3)[C@@H](O)[C@H]2CO)cccc1C(F)(F)F ZINC000585292913 518557711 /nfs/dbraw/zinc/55/77/11/518557711.db2.gz PQGXRZYTDJIOBG-QGPMSJSTSA-N 0 1 367.367 2.732 40 10 FFCBMN CCN1c2cc(C)c(C=C3C(=O)NC(=O)NC3=O)cc2C(C)=CC1(C)C ZINC000113821141 535785224 /nfs/dbraw/zinc/78/52/24/535785224.db2.gz IFIIZBXTMSPSHX-UHFFFAOYSA-N 0 1 353.422 2.766 40 10 FFCBMN C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(C=C3C(=O)NC(=O)NC3=O)cc21 ZINC000113778577 132246691 /nfs/dbraw/zinc/24/66/91/132246691.db2.gz VBVPLXBDLPBNIU-VIFPVBQESA-N 0 1 361.829 2.811 40 10 FFCBMN Cc1cc([C@@H](O)CN2CCN(c3ccc4c(c3)OCCO4)CC2)c(C)s1 ZINC000019567896 507181592 /nfs/dbraw/zinc/18/15/92/507181592.db2.gz ISKHZXWVXCAWEE-SFHVURJKSA-N 0 1 374.506 2.992 40 10 FFCBMN COc1cc(Cl)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC ZINC000109017966 507932301 /nfs/dbraw/zinc/93/23/01/507932301.db2.gz BPTUXMNSZUQBMO-JYRVWZFOSA-N 0 1 358.781 2.819 40 10 FFCBMN O=C1NC(=O)N(CCc2ccccc2)C(=O)C1=CNc1ccc(F)cc1F ZINC000408533716 513085134 /nfs/dbraw/zinc/08/51/34/513085134.db2.gz OWHSCQVZZVNUHT-SDNWHVSQSA-N 0 1 371.343 2.582 40 10 FFCBMN CC(C)c1ccc(N2C(=O)/C(=C/c3cccn3C)C(=O)NC2=S)cc1 ZINC000409232303 513100746 /nfs/dbraw/zinc/10/07/46/513100746.db2.gz PYZRNRRNOZPDKJ-LFIBNONCSA-N 0 1 353.447 2.980 40 10 FFCBMN COc1ccc(N2C(=O)/C(=C/c3cccs3)C(=O)NC2=S)c(OC)c1 ZINC000000868441 536657627 /nfs/dbraw/zinc/65/76/27/536657627.db2.gz GBPAUZGSYVLQOW-FMIVXFBMSA-N 0 1 374.443 2.597 40 10 FFCBMN CC(C)c1nc2c(c(N3CCOCC3)n1)CCN(Cc1ccccc1O)C2 ZINC000019453727 507172694 /nfs/dbraw/zinc/17/26/94/507172694.db2.gz CLWRYUPCUIZXOF-UHFFFAOYSA-N 0 1 368.481 2.701 40 10 FFCBMN COc1ccc(N2C(=O)/C(=C\c3ccccc3OC)C(=O)NC2=S)cc1 ZINC000008564355 506658574 /nfs/dbraw/zinc/65/85/74/506658574.db2.gz QLYLWPFNTDJXPM-PTNGSMBKSA-N 0 1 368.414 2.535 40 10 FFCBMN COc1ccc(/C=C2\C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000059475162 507500511 /nfs/dbraw/zinc/50/05/11/507500511.db2.gz UIPNJRJJCKFUPZ-OQLLNIDSSA-N 0 1 367.361 2.682 40 10 FFCBMN O=C1NC(=O)C(=Cc2cccc(OCc3cccc(Cl)c3)c2)C(=O)N1 ZINC000059639083 507501942 /nfs/dbraw/zinc/50/19/42/507501942.db2.gz FMSJFPWXJVCENW-UHFFFAOYSA-N 0 1 356.765 2.668 40 10 FFCBMN C=CCOc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000108142146 507878768 /nfs/dbraw/zinc/87/87/68/507878768.db2.gz NXLQJXKEDSXINV-VBKFSLOCSA-N 0 1 365.345 2.621 40 10 FFCBMN COc1ccc(N2C(=O)/C(=C\c3cccc(C)c3)C(=O)NC2=S)cc1 ZINC000408761251 513093187 /nfs/dbraw/zinc/09/31/87/513093187.db2.gz DHWZBEAGELVTCH-WJDWOHSUSA-N 0 1 352.415 2.835 40 10 FFCBMN Cc1cccnc1NC(=S)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000225777373 132286524 /nfs/dbraw/zinc/28/65/24/132286524.db2.gz UVKSONJICBAONO-UHFFFAOYSA-N 0 1 355.511 2.628 40 10 FFCBMN COC(=O)c1ccc(N=Nc2nc(CCNC(=O)C(F)(F)F)c[nH]2)cc1 ZINC000104182360 222352214 /nfs/dbraw/zinc/35/22/14/222352214.db2.gz UXCWAAQFHXZECD-FCQUAONHSA-N 0 1 369.303 2.833 40 10 FFCBMN CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(N)=O)cc1 ZINC000005137412 506424375 /nfs/dbraw/zinc/42/43/75/506424375.db2.gz DZRKLZVYCUHLEK-GIVPXCGWSA-N 0 1 359.514 2.686 40 10 FFCBMN CC(C)c1cccc(C(C)C)c1NC(=O)C(O)=C1SC(=S)NC1=O ZINC000102944286 222314552 /nfs/dbraw/zinc/31/45/52/222314552.db2.gz YRBVWJLJJHQCID-CQSZACIVSA-N 0 1 364.492 2.958 40 10 FFCBMN C=CCOc1c(/C=C2\C(=O)NN(c3ccccc3)C2=O)cccc1OC ZINC000108027221 507875974 /nfs/dbraw/zinc/87/59/74/507875974.db2.gz JCHPJPLKXCBYCX-DTQAZKPQSA-N 0 1 350.374 2.721 40 10 FFCBMN CCn1cccc1/C=C1\C(=O)NC(=S)N(c2cccc(C)c2C)C1=O ZINC000409133669 513099214 /nfs/dbraw/zinc/09/92/14/513099214.db2.gz MEZFIZZHZVCPKK-RVDMUPIBSA-N 0 1 353.447 2.956 40 10 FFCBMN CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 ZINC000409374045 513101785 /nfs/dbraw/zinc/10/17/85/513101785.db2.gz YCKIZCXYCWRQQO-MHWRWJLKSA-N 0 1 354.362 2.729 40 10 FFCBMN COc1cc(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OC ZINC000033657851 506362108 /nfs/dbraw/zinc/36/21/08/506362108.db2.gz NOPQFULJQGLESO-NTEUORMPSA-N 0 1 358.781 2.819 40 10 FFCBMN Cc1c(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cccc1[N+](=O)[O-] ZINC000216926162 525628097 /nfs/dbraw/zinc/62/80/97/525628097.db2.gz NAANPOCPKWTEDB-UHFFFAOYSA-N 0 1 368.437 2.585 40 10 FFCBMN CC(C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000033551731 506359698 /nfs/dbraw/zinc/35/96/98/506359698.db2.gz HVSSJSJKCIRBDQ-PTNGSMBKSA-N 0 1 367.361 2.843 40 10 FFCBMN COc1ccc(N2CCN(C[C@H](O)c3ccc4c(c3)C[C@@H](C)O4)CC2)cc1 ZINC000019498030 507172415 /nfs/dbraw/zinc/17/24/15/507172415.db2.gz LBFWXCBHPHJRMG-IERDGZPVSA-N 0 1 368.477 2.874 40 10 FFCBMN Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000408999776 513097036 /nfs/dbraw/zinc/09/70/36/513097036.db2.gz SJJNGUJGXUXOBJ-UHFFFAOYSA-N 0 1 351.406 2.967 40 10 FFCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(N(C)C)o3)C(=O)NC2=S)c1 ZINC000409226917 263543455 /nfs/dbraw/zinc/54/34/55/263543455.db2.gz NWOORUGVNXOKNC-GXDHUFHOSA-N 0 1 369.446 2.794 40 10 FFCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)COC4)C(=O)NC2=S)cc1 ZINC000006212447 506471247 /nfs/dbraw/zinc/47/12/47/506471247.db2.gz MSGPWGHCUFAAIT-RQZCQDPDSA-N 0 1 364.426 2.857 40 10 FFCBMN COc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1F ZINC000225395923 132284680 /nfs/dbraw/zinc/28/46/80/132284680.db2.gz IVODTBMWCOUWRQ-UHFFFAOYSA-N 0 1 357.429 2.516 40 10 FFCBMN Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1cccc2ccccc21 ZINC000409002956 263516460 /nfs/dbraw/zinc/51/64/60/263516460.db2.gz XMSWILZDXVTZFE-UHFFFAOYSA-N 0 1 359.385 2.997 40 10 FFCBMN Cc1ccc(COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1 ZINC000408801289 513093656 /nfs/dbraw/zinc/09/36/56/513093656.db2.gz UUIOYBBGUCORGR-UHFFFAOYSA-N 0 1 370.792 2.977 40 10 FFCBMN CCOc1cccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1 ZINC000408882763 513094744 /nfs/dbraw/zinc/09/47/44/513094744.db2.gz NXBSLJADSJFWQV-VBKFSLOCSA-N 0 1 352.415 2.917 40 10 FFCBMN CN1CCN(c2ccc(CNC(=O)/C=C/c3ccc(F)cc3)cc2)CC1 ZINC000216926878 523925575 /nfs/dbraw/zinc/92/55/75/523925575.db2.gz LCIYSWMIPACYOO-IZZDOVSWSA-N 0 1 353.441 2.907 40 10 FFCBMN COc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000409400448 263556376 /nfs/dbraw/zinc/55/63/76/263556376.db2.gz QZDHYNCHXRXTJY-UVTDQMKNSA-N 0 1 373.206 2.919 40 10 FFCBMN C=CCOc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000107766799 507866267 /nfs/dbraw/zinc/86/62/67/507866267.db2.gz OFKPXVJSRQCJTB-PTNGSMBKSA-N 0 1 365.345 2.621 40 10 FFCBMN Cc1ccc(COc2ccc(Cl)cc2C=C2C(=O)NC(=O)NC2=O)cc1 ZINC000408798373 513093386 /nfs/dbraw/zinc/09/33/86/513093386.db2.gz DUCKKRHCSGTOFP-UHFFFAOYSA-N 0 1 370.792 2.977 40 10 FFCBMN O=C1NC(=O)C(=Cc2cc(Cl)ccc2Cc2ccccc2F)C(=O)N1 ZINC000408868787 513094753 /nfs/dbraw/zinc/09/47/53/513094753.db2.gz BIPJQJCKYNVXLE-UHFFFAOYSA-N 0 1 358.756 2.819 40 10 FFCBMN CCN1CCN(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)CC1 ZINC000020608761 521659759 /nfs/dbraw/zinc/65/97/59/521659759.db2.gz HWDMYOBPHURFAP-KAMYIIQDSA-N 0 1 351.472 2.669 40 10 FFCBMN C=CCOc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1OC ZINC000108027219 507875979 /nfs/dbraw/zinc/87/59/79/507875979.db2.gz JCHPJPLKXCBYCX-SSZFMOIBSA-N 0 1 350.374 2.721 40 10 FFCBMN COc1ccccc1/C=C1/C(=O)NC(=S)N(c2ccc(F)cc2)C1=O ZINC000408917119 513095981 /nfs/dbraw/zinc/09/59/81/513095981.db2.gz MZQXKXKUINPRMH-UVTDQMKNSA-N 0 1 356.378 2.666 40 10 FFCBMN COc1ccc(/C=C/C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000216927016 523391730 /nfs/dbraw/zinc/39/17/30/523391730.db2.gz PKIJXDDXKPEEHW-KPKJPENVSA-N 0 1 365.477 2.777 40 10 FFCBMN C#CCOc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl ZINC000107929163 507873419 /nfs/dbraw/zinc/87/34/19/507873419.db2.gz PYFKKZIOVSMFRV-PTNGSMBKSA-N 0 1 352.777 2.813 40 10 FFCBMN COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)N=c1cccc[nH]1 ZINC000101842430 508258485 /nfs/dbraw/zinc/25/84/85/508258485.db2.gz JOCGEBHOJVMTAG-LDADJPATSA-N 0 1 368.368 2.873 40 10 FFCBMN O=C1NC(=O)N(CCc2ccccc2)C(=O)C1=CNc1ccc(Cl)cc1 ZINC000408530644 513084301 /nfs/dbraw/zinc/08/43/01/513084301.db2.gz JJLPZSMFNQTDHI-FOWTUZBSSA-N 0 1 369.808 2.957 40 10 FFCBMN Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000408811244 513093642 /nfs/dbraw/zinc/09/36/42/513093642.db2.gz AGYCZTAILNEJHW-MLPAPPSSSA-N 0 1 360.757 2.836 40 10 FFCBMN O=C1NC(=O)C(=Cc2ccccc2OCc2cccc(Cl)c2)C(=O)N1 ZINC000408811479 513093892 /nfs/dbraw/zinc/09/38/92/513093892.db2.gz KHVXNJFMIIHHKL-UHFFFAOYSA-N 0 1 356.765 2.668 40 10 FFCBMN CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)cc([N+](=O)[O-])c1O ZINC000409330203 513100586 /nfs/dbraw/zinc/10/05/86/513100586.db2.gz JRMTVNJXKCAFGW-YRNVUSSQSA-N 0 1 354.409 2.920 40 10 FFCBMN O=c1ccc(N=Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c[nH]1 ZINC000104124378 508328496 /nfs/dbraw/zinc/32/84/96/508328496.db2.gz ZMHUMEVUWLVXSZ-VXPUYCOJSA-N 0 1 356.367 2.793 40 10 FFCBMN Cc1ccc(OCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1C ZINC000216946527 525388958 /nfs/dbraw/zinc/38/89/58/525388958.db2.gz KHQFFLJSUTVNAV-UHFFFAOYSA-N 0 1 367.493 2.750 40 10 FFCBMN CC[C@@H](Oc1ccccc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000222870296 535818113 /nfs/dbraw/zinc/81/81/13/535818113.db2.gz UIQSHAUUDLFTNE-OAQYLSRUSA-N 0 1 367.493 2.912 40 10 FFCBMN CCc1ccc(N2C(=O)/C(=C/c3cccc(O)c3)C(=O)NC2=S)cc1 ZINC000107925374 507873563 /nfs/dbraw/zinc/87/35/63/507873563.db2.gz DIHGTJZNFZFRQV-LFIBNONCSA-N 0 1 352.415 2.786 40 10 FFCBMN CC(=O)Oc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000108974473 507929440 /nfs/dbraw/zinc/92/94/40/507929440.db2.gz KHXMQMLDQOOUBX-GDNBJRDFSA-N 0 1 356.765 2.727 40 10 FFCBMN Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(C)cc1C ZINC000408994864 513097026 /nfs/dbraw/zinc/09/70/26/513097026.db2.gz HJEUWTHUGIIPIG-YBEGLDIGSA-N 0 1 351.406 2.803 40 10 FFCBMN CCn1cccc1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2C)C1=O ZINC000409146865 513099298 /nfs/dbraw/zinc/09/92/98/513099298.db2.gz LOZBNBDUTSQBMH-RVDMUPIBSA-N 0 1 353.447 2.956 40 10 FFCBMN COc1ccc(N2C(=O)/C(=C/c3ccc(F)cc3)C(=O)NC2=S)cc1 ZINC000000849713 536657002 /nfs/dbraw/zinc/65/70/02/536657002.db2.gz HOJQDYPFKRXKOD-XNTDXEJSSA-N 0 1 356.378 2.666 40 10 FFCBMN COc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccccc2C)C1=O ZINC000001228661 536981689 /nfs/dbraw/zinc/98/16/89/536981689.db2.gz OWIWJTSPXXNYRN-SDNWHVSQSA-N 0 1 352.415 2.835 40 10 FFCBMN O=C1C=CC=NC1=NNc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000104124434 205998362 /nfs/dbraw/zinc/99/83/62/205998362.db2.gz UWZSTZGRKIQCGC-VXPUYCOJSA-N 0 1 356.367 2.793 40 10 FFCBMN COC(=O)c1ccc(/C=C2\C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000001213719 206226485 /nfs/dbraw/zinc/22/64/85/206226485.db2.gz GGXOQPBQLOJXJH-GZTJUZNOSA-N 0 1 350.374 2.551 40 10 FFCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])o3)C(=O)NC2=S)cc1 ZINC000108027234 507876022 /nfs/dbraw/zinc/87/60/22/507876022.db2.gz QPWQRMGBNPSTGC-UKTHLTGXSA-N 0 1 371.374 2.582 40 10 FFCBMN Cc1ccc(Cl)cc1NC=C1C(=O)NC(=O)N(Cc2ccco2)C1=O ZINC000408547104 513086009 /nfs/dbraw/zinc/08/60/09/513086009.db2.gz WIPBZPOWRWGLCM-JYRVWZFOSA-N 0 1 359.769 2.816 40 10 FFCBMN CC(C)c1ccc(NC=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 ZINC000408547102 513086482 /nfs/dbraw/zinc/08/64/82/513086482.db2.gz WBACTCPIJBOEIU-YBEGLDIGSA-N 0 1 353.378 2.977 40 10 FFCBMN Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccccc3)C1=O)OCO2 ZINC000408986976 513096767 /nfs/dbraw/zinc/09/67/67/513096767.db2.gz UCYWBYWHYZKHHT-RIYZIHGNSA-N 0 1 366.398 2.555 40 10 FFCBMN O=C1NC(=O)C(=Cc2ccc3c(ccn3Cc3cccc(F)c3)c2)C(=O)N1 ZINC000409235751 513100784 /nfs/dbraw/zinc/10/07/84/513100784.db2.gz QGOUIJBJZNBUGO-UHFFFAOYSA-N 0 1 363.348 2.578 40 10 FFCBMN CC1=CC(C)(C)N(C)c2cc(Cl)c(C=C3C(=O)NC(=O)NC3=O)cc21 ZINC000113815529 132247259 /nfs/dbraw/zinc/24/72/59/132247259.db2.gz KNUAYAYYSXYINB-UHFFFAOYSA-N 0 1 359.813 2.721 40 10 FFCBMN COC(=O)c1ccc(N=Nc2nc(CCNC(=O)C(F)(F)F)c[nH]2)cc1 ZINC000017043794 507112659 /nfs/dbraw/zinc/11/26/59/507112659.db2.gz UXCWAAQFHXZECD-GHVJWSGMSA-N 0 1 369.303 2.833 40 10 FFCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(C)c1 ZINC000409024328 513097341 /nfs/dbraw/zinc/09/73/41/513097341.db2.gz QPHQADRATZEXEG-CXUHLZMHSA-N 0 1 370.405 2.974 40 10 FFCBMN Cc1ccc(OCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)c(C)c1 ZINC000222831366 132277860 /nfs/dbraw/zinc/27/78/60/132277860.db2.gz OSAMDAYQUGXJLD-UHFFFAOYSA-N 0 1 367.493 2.750 40 10 FFCBMN CCn1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21 ZINC000006568657 263346086 /nfs/dbraw/zinc/34/60/86/263346086.db2.gz JUCAUUAGRBGYPZ-MHWRWJLKSA-N 0 1 363.373 2.916 40 10 FFCBMN CCn1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c1C ZINC000409068908 513098686 /nfs/dbraw/zinc/09/86/86/513098686.db2.gz KGAMQJXXYOTQJH-LFIBNONCSA-N 0 1 353.447 2.956 40 10 FFCBMN CN1c2ccccc2Sc2cc(C=C3C(=O)NC(=O)NC3=O)ccc21 ZINC000409145185 513099635 /nfs/dbraw/zinc/09/96/35/513099635.db2.gz NDAWHMXYTQMLDY-UHFFFAOYSA-N 0 1 351.387 2.669 40 10 FFCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(C)C ZINC000409408015 513102544 /nfs/dbraw/zinc/10/25/44/513102544.db2.gz ONOOKQJGWVOTQI-WJDWOHSUSA-N 0 1 352.390 2.944 40 10 FFCBMN COc1ccc(S(=O)(=O)Nc2nc(-c3csc(N)n3)cs2)cc1 ZINC000005582536 207108401 /nfs/dbraw/zinc/10/84/01/207108401.db2.gz SHMDOFMZVQIKGF-UHFFFAOYSA-N 0 1 368.465 2.658 40 10 FFCBMN CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(C)cc3)C2=O)cc1 ZINC000004718877 506390025 /nfs/dbraw/zinc/39/00/25/506390025.db2.gz QWVNIEQEYHSWCA-ATVHPVEESA-N 0 1 350.374 2.633 40 10 FFCBMN CC(C)COc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 ZINC000083261127 508243886 /nfs/dbraw/zinc/24/38/86/508243886.db2.gz SKTYPAJWNFLTSE-LICLKQGHSA-N 0 1 368.389 2.976 40 10 FFCBMN Cc1ccc(COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)cc1C ZINC000408816691 513093868 /nfs/dbraw/zinc/09/38/68/513093868.db2.gz VDEMLUCVMQLCNQ-UHFFFAOYSA-N 0 1 350.374 2.632 40 10 FFCBMN COc1ccc2[nH]c(-c3ccccc3)c(C=C3C(=O)NC(=O)NC3=O)c2c1 ZINC000408775439 513093929 /nfs/dbraw/zinc/09/39/29/513093929.db2.gz QADTYCHCCWXEAT-UHFFFAOYSA-N 0 1 361.357 2.593 40 10 FFCBMN O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1ccco1 ZINC000408968431 513096612 /nfs/dbraw/zinc/09/66/12/513096612.db2.gz YTSOFELFCGFPSG-JXMROGBWSA-N 0 1 350.758 2.903 40 10 FFCBMN CC(C)N1c2ccc(C=C3C(=O)NC(=O)NC3=O)cc2[C@@H](C)CC1(C)C ZINC000223549990 132279780 /nfs/dbraw/zinc/27/97/80/132279780.db2.gz WEUTVKYVCGRABD-LBPRGKRZSA-N 0 1 355.438 2.937 40 10 FFCBMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(OC)c1 ZINC000017086540 507116842 /nfs/dbraw/zinc/11/68/42/507116842.db2.gz XKYWRUAWEOZAKH-GDNBJRDFSA-N 0 1 368.414 2.535 40 10 FFCBMN CC(C)N1c2ccc(C=C3C(=O)NC(=O)NC3=O)cc2[C@H](C)CC1(C)C ZINC000260572489 509984011 /nfs/dbraw/zinc/98/40/11/509984011.db2.gz WEUTVKYVCGRABD-GFCCVEGCSA-N 0 1 355.438 2.937 40 10 FFCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(N(C)C)o3)C(=O)NC2=S)c1C ZINC000409146199 513098990 /nfs/dbraw/zinc/09/89/90/513098990.db2.gz KBOJEMMSGGVEAZ-GXDHUFHOSA-N 0 1 369.446 2.794 40 10 FFCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(N2CCCC2)cc1F ZINC000033655864 506361128 /nfs/dbraw/zinc/36/11/28/506361128.db2.gz ZJAHNVWIZOWELH-ATVHPVEESA-N 0 1 351.381 2.887 40 10 FFCBMN CCn1cccc1/C=C1\C(=O)NC(=S)N(c2ccc(C)c(C)c2)C1=O ZINC000408937403 513095827 /nfs/dbraw/zinc/09/58/27/513095827.db2.gz QPDAOAURXRGEGI-LFIBNONCSA-N 0 1 353.447 2.956 40 10 FFCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1 ZINC000409014720 513097721 /nfs/dbraw/zinc/09/77/21/513097721.db2.gz IOFHHSBSAMCAMZ-OQLLNIDSSA-N 0 1 356.378 2.666 40 10 FFCBMN COc1ccc(N2C(=O)/C(=C/c3ccc(C)s3)C(=O)NC2=S)cc1 ZINC000002820604 536657568 /nfs/dbraw/zinc/65/75/68/536657568.db2.gz UWNQYMDXSHYJFE-NTEUORMPSA-N 0 1 358.444 2.896 40 10 FFCBMN CCc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C)C3=O)c2C)cc1 ZINC000408999469 263515647 /nfs/dbraw/zinc/51/56/47/263515647.db2.gz LHNYNTMLSBZYTA-BOPFTXTBSA-N 0 1 351.406 2.748 40 10 FFCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1O ZINC000033321320 506355785 /nfs/dbraw/zinc/35/57/85/506355785.db2.gz NOUWXUCRPTWRBZ-JYRVWZFOSA-N 0 1 358.781 2.906 40 10 FFCBMN CC(C)Oc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000033667344 506361632 /nfs/dbraw/zinc/36/16/32/506361632.db2.gz VRXJCSXIRQDZOC-WJDWOHSUSA-N 0 1 367.361 2.843 40 10 FFCBMN O=C1NC(=O)C(=Cc2ccc(Cc3ccccc3F)c(Cl)c2)C(=O)N1 ZINC000408866399 513094646 /nfs/dbraw/zinc/09/46/46/513094646.db2.gz ICOBDDKZQKTOOG-UHFFFAOYSA-N 0 1 358.756 2.819 40 10 FFCBMN COc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1Cl ZINC000409374404 513101697 /nfs/dbraw/zinc/10/16/97/513101697.db2.gz ORBRTNPGOPBGQR-KPKJPENVSA-N 0 1 360.753 2.604 40 10 FFCBMN COC(=O)c1ccc(-n2c(C)cc(/C=C3\NC(=O)NC3=O)c2C)cc1Cl ZINC000408815122 513093371 /nfs/dbraw/zinc/09/33/71/513093371.db2.gz RQKHFXLTUZGFJJ-CHHVJCJISA-N 0 1 373.796 2.714 40 10 FFCBMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)o1 ZINC000408824172 513094559 /nfs/dbraw/zinc/09/45/59/513094559.db2.gz PXTZFSIZKUHNCN-NTCAYCPXSA-N 0 1 369.446 2.957 40 10 FFCBMN CCOc1cccc(N2C(=O)/C(=C/c3ccccc3O)C(=O)NC2=S)c1 ZINC000004893425 132255351 /nfs/dbraw/zinc/25/53/51/132255351.db2.gz DGHASQRKXQDBAO-XNTDXEJSSA-N 0 1 368.414 2.622 40 10 FFCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1C ZINC000409022697 513097332 /nfs/dbraw/zinc/09/73/32/513097332.db2.gz PQRJPLXDDZJNFF-OQLLNIDSSA-N 0 1 370.405 2.974 40 10 FFCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(N(C)C)o3)C(=O)NC2=S)c1 ZINC000409009860 513097431 /nfs/dbraw/zinc/09/74/31/513097431.db2.gz ACKJQIRSYPEESH-XNTDXEJSSA-N 0 1 369.446 2.794 40 10 FFCBMN O=C1C=CC=NC1=NNc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000018101724 211191874 /nfs/dbraw/zinc/19/18/74/211191874.db2.gz UWZSTZGRKIQCGC-FMQUCBEESA-N 0 1 356.367 2.793 40 10 FFCBMN O=C(NN1C(=O)/C(=C\c2ccc(O)cc2)SC1=S)c1cccs1 ZINC000409338078 263549534 /nfs/dbraw/zinc/54/95/34/263549534.db2.gz CPPBBGSLLAXRJQ-XYOKQWHBSA-N 0 1 362.457 3.000 40 10 FFCBMN COc1ccc(O)c(C[N@@H+]2CCc3nc(-c4cccnc4)[n-]c(=O)c3C2)c1 ZINC000012122003 506819410 /nfs/dbraw/zinc/81/94/10/506819410.db2.gz QRLXZSYURLRHLB-UHFFFAOYSA-N 0 1 364.405 2.517 40 10 FFCBMN COc1ccc(O)c(C[N@H+]2CCc3nc(-c4cccnc4)[n-]c(=O)c3C2)c1 ZINC000012122003 506819415 /nfs/dbraw/zinc/81/94/15/506819415.db2.gz QRLXZSYURLRHLB-UHFFFAOYSA-N 0 1 364.405 2.517 40 10 FFCBMN Cc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1[N+](=O)[O-] ZINC000216927361 526185657 /nfs/dbraw/zinc/18/56/57/526185657.db2.gz DWXBEJUJVVIICK-UHFFFAOYSA-N 0 1 368.437 2.585 40 10 FFCBMN COc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3)C(=O)NC2=S)cc1 ZINC000408760317 513093729 /nfs/dbraw/zinc/09/37/29/513093729.db2.gz WNYOABKLJJSFEA-WJDWOHSUSA-N 0 1 368.414 2.535 40 10 FFCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccccc1[N+](=O)[O-] ZINC000408847709 513094640 /nfs/dbraw/zinc/09/46/40/513094640.db2.gz RDUQEJSGIBPGPA-PKNBQFBNSA-N 0 1 371.349 2.565 40 10 FFCBMN Cc1ccc(NC=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1Cl ZINC000408547052 513086071 /nfs/dbraw/zinc/08/60/71/513086071.db2.gz HTYSZUCXYPWTBY-JYRVWZFOSA-N 0 1 359.769 2.816 40 10 FFCBMN Cc1ccc(COc2ccccc2C=C2C(=O)NC(=O)NC2=O)cc1C ZINC000408800811 513093494 /nfs/dbraw/zinc/09/34/94/513093494.db2.gz PNDVNBIVAQGKEZ-UHFFFAOYSA-N 0 1 350.374 2.632 40 10 FFCBMN COc1cccc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000225775868 132286650 /nfs/dbraw/zinc/28/66/50/132286650.db2.gz XDQFCMWNCRGJFD-UHFFFAOYSA-N 0 1 370.522 2.934 40 10 FFCBMN CC(C)c1ccccc1NC=C1C(=O)NC(=O)N(Cc2ccco2)C1=O ZINC000106344648 508399597 /nfs/dbraw/zinc/39/95/97/508399597.db2.gz YAXWYEIKOQOFEA-GDNBJRDFSA-N 0 1 353.378 2.977 40 10 FFCBMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1Cc1ccccc1F ZINC000408875900 513094616 /nfs/dbraw/zinc/09/46/16/513094616.db2.gz HUFLPWSDSOWFTQ-UHFFFAOYSA-N 0 1 368.364 2.565 40 10 FFCBMN COc1ccccc1NC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000225770275 537084694 /nfs/dbraw/zinc/08/46/94/537084694.db2.gz FBRAXIINEXDDQX-UHFFFAOYSA-N 0 1 354.454 2.769 40 10 FFCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000033320016 506355832 /nfs/dbraw/zinc/35/58/32/506355832.db2.gz XPZBTLORZZBCKL-AQTBWJFISA-N 0 1 374.356 2.847 40 10 FFCBMN Cc1cc(C)c(COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)c(C)c1 ZINC000408991221 513096882 /nfs/dbraw/zinc/09/68/82/513096882.db2.gz PVUDQXQYCGBALM-UHFFFAOYSA-N 0 1 364.401 2.940 40 10 FFCBMN Cc1ccc(N2C(=O)/C(=C/c3ccncc3)C(=O)NC2=S)cc1Cl ZINC000408820127 513094257 /nfs/dbraw/zinc/09/42/57/513094257.db2.gz VJHKHCCKXOJMCE-MDWZMJQESA-N 0 1 357.822 2.875 40 10 FFCBMN CC(C)c1cccc(C(C)C)c1NC(=O)C(O)=C1SC(=S)NC1=O ZINC000102944289 222314944 /nfs/dbraw/zinc/31/49/44/222314944.db2.gz YRBVWJLJJHQCID-AWEZNQCLSA-N 0 1 364.492 2.958 40 10 FFCBMN COc1ccc(CCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000049740675 507634689 /nfs/dbraw/zinc/63/46/89/507634689.db2.gz QLLKJEPABDWDOY-UHFFFAOYSA-N 0 1 367.493 2.696 40 10 FFCBMN CC(C)COc1c(Cl)cc(C=C2C(=O)NC(=O)NC2=O)cc1Cl ZINC000409046374 513097773 /nfs/dbraw/zinc/09/77/73/513097773.db2.gz KHGBHMZHVFPLBL-UHFFFAOYSA-N 0 1 357.193 2.778 40 10 FFCBMN O=C1NC(=O)C(=Cc2ccc(Sc3cccc4cccnc43)o2)C(=O)N1 ZINC000003092186 506309027 /nfs/dbraw/zinc/30/90/27/506309027.db2.gz MVQNGAPSLUANJL-UHFFFAOYSA-N 0 1 365.370 2.728 40 10 FFCBMN COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(Cc2ccco2)C1=O ZINC000107721421 507864733 /nfs/dbraw/zinc/86/47/33/507864733.db2.gz CMPMDMHSXFPQQD-MDWZMJQESA-N 0 1 360.753 2.604 40 10 FFCBMN COc1ccc(CC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1C ZINC000223126813 132278935 /nfs/dbraw/zinc/27/89/35/132278935.db2.gz ZTBQKRJYXXGHDH-UHFFFAOYSA-N 0 1 367.493 2.614 40 10 FFCBMN CN1CCN(c2ccc(CNC(=O)COc3ccc(Cl)cc3)cc2)CC1 ZINC000049740645 507635294 /nfs/dbraw/zinc/63/52/94/507635294.db2.gz QBOYCPQPJBKFCO-UHFFFAOYSA-N 0 1 373.884 2.787 40 10 FFCBMN COc1ccccc1NN=C(C(C)=O)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000100051623 222233117 /nfs/dbraw/zinc/23/31/17/222233117.db2.gz BWCSCOGVOJAQRL-LSJZCYCUSA-N 0 1 367.365 2.545 40 10 FFCBMN COc1ccc(N2CCN(C[C@H](O)c3ccc4c(c3)C[C@H](C)O4)CC2)cc1 ZINC000019498028 507172857 /nfs/dbraw/zinc/17/28/57/507172857.db2.gz LBFWXCBHPHJRMG-KKSFZXQISA-N 0 1 368.477 2.874 40 10 FFCBMN CN(C)c1ccc(/C=C/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 ZINC000107898836 507872792 /nfs/dbraw/zinc/87/27/92/507872792.db2.gz KUSLHFULNOCLAJ-GOBGXLLKSA-N 0 1 365.389 2.564 40 10 FFCBMN CCN(CC)c1ccc(C[N@H+]2CC[C@@H](c3cc(=O)[nH]c(C)n3)C2)c(OC)c1 ZINC000019526493 220268357 /nfs/dbraw/zinc/26/83/57/220268357.db2.gz JOODDRYUFZBHMY-MRXNPFEDSA-N 0 1 370.497 2.923 40 10 FFCBMN COc1cc(C=O)cc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)c1[O-] ZINC000216833395 509264288 /nfs/dbraw/zinc/26/42/88/509264288.db2.gz KJALISLIGPXDRW-UHFFFAOYSA-N 0 1 357.406 2.789 40 10 FFCBMN COc1cc(C=O)cc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)c1[O-] ZINC000216833395 509264293 /nfs/dbraw/zinc/26/42/93/509264293.db2.gz KJALISLIGPXDRW-UHFFFAOYSA-N 0 1 357.406 2.789 40 10 FFCBMN Cc1cc(C)cc(COc2ccccc2C=C2C(=O)NC(=O)NC2=O)c1 ZINC000408881003 513094440 /nfs/dbraw/zinc/09/44/40/513094440.db2.gz LPZFSTTVKHNBHK-UHFFFAOYSA-N 0 1 350.374 2.632 40 10 FFCBMN COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1Cc1ccccc1Cl ZINC000408865620 513094925 /nfs/dbraw/zinc/09/49/25/513094925.db2.gz DDLZFMCCUUJYJY-UHFFFAOYSA-N 0 1 370.792 2.689 40 10 FFCBMN Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000408996579 513096547 /nfs/dbraw/zinc/09/65/47/513096547.db2.gz QDRZDJDGAWKPJK-NVNXTCNLSA-N 0 1 357.797 2.839 40 10 FFCBMN COc1ccccc1N1C(=O)/C(=C/c2sccc2C)C(=O)NC1=S ZINC000409167037 513100388 /nfs/dbraw/zinc/10/03/88/513100388.db2.gz IAKLSRUOMFYKNZ-PKNBQFBNSA-N 0 1 358.444 2.896 40 10 FFCBMN CCOc1ccc(/C=C2\C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc1O ZINC000003072505 506309047 /nfs/dbraw/zinc/30/90/47/506309047.db2.gz SBZYFSFFLPXTII-MHWRWJLKSA-N 0 1 352.390 2.869 40 10 FFCBMN Cc1c(Cl)cccc1NC=C1C(=O)NC(=O)N(Cc2ccco2)C1=O ZINC000408547078 513085890 /nfs/dbraw/zinc/08/58/90/513085890.db2.gz RUJSZZBCUKEBSW-WQLSENKSSA-N 0 1 359.769 2.816 40 10 FFCBMN O=C1NC(=O)C(=Cc2ccc(Cc3cccc(F)c3)c(Cl)c2)C(=O)N1 ZINC000408877400 513094392 /nfs/dbraw/zinc/09/43/92/513094392.db2.gz VPVXETSYXYFEIV-UHFFFAOYSA-N 0 1 358.756 2.819 40 10 FFCBMN CCn1cccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2)C1=O ZINC000408934184 513095564 /nfs/dbraw/zinc/09/55/64/513095564.db2.gz LNQYSRIGRKJZAK-GXDHUFHOSA-N 0 1 359.838 2.993 40 10 FFCBMN COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c1OC ZINC000001197449 537078145 /nfs/dbraw/zinc/07/81/45/537078145.db2.gz MPXSCJKVGHBMPY-SDNWHVSQSA-N 0 1 368.414 2.535 40 10 FFCBMN CC1=CC(C)(C)N(C(C)C)c2ccc(C=C3C(=O)NC(=O)NC3=O)cc21 ZINC000223481727 132279563 /nfs/dbraw/zinc/27/95/63/132279563.db2.gz AJNOJEPKQZJCJD-UHFFFAOYSA-N 0 1 353.422 2.846 40 10 FFCBMN COc1ccc(C[N@@H+]2CCc3nc(-c4cccnc4)[n-]c(=O)c3C2)c(O)c1 ZINC000012121995 506819272 /nfs/dbraw/zinc/81/92/72/506819272.db2.gz YUNTZUJHILXYKG-UHFFFAOYSA-N 0 1 364.405 2.517 40 10 FFCBMN COc1ccc(C[N@H+]2CCc3nc(-c4cccnc4)[n-]c(=O)c3C2)c(O)c1 ZINC000012121995 506819280 /nfs/dbraw/zinc/81/92/80/506819280.db2.gz YUNTZUJHILXYKG-UHFFFAOYSA-N 0 1 364.405 2.517 40 10 FFCBMN C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1O ZINC000107877489 507872338 /nfs/dbraw/zinc/87/23/38/507872338.db2.gz FGCBPKYRVLFMOI-ATVHPVEESA-N 0 1 364.401 2.981 40 10 FFCBMN C#CCOc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000107954180 507873915 /nfs/dbraw/zinc/87/39/15/507873915.db2.gz ADBVRAAXLVAEMV-VBKFSLOCSA-N 0 1 352.777 2.813 40 10 FFCBMN O=C1NC(=O)C(=Cc2ccc(OCc3ccc(F)cc3)c(Cl)c2)C(=O)N1 ZINC000408808236 513093947 /nfs/dbraw/zinc/09/39/47/513093947.db2.gz FQMXEHHSACDCLZ-UHFFFAOYSA-N 0 1 374.755 2.808 40 10 FFCBMN CCN(CC)CCNc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O ZINC000005460267 506444920 /nfs/dbraw/zinc/44/49/20/506444920.db2.gz GXGFFXSOKQYBDT-UHFFFAOYSA-N 0 1 354.406 2.627 40 10 FFCBMN CC1=NN(c2nn[nH]n2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000012412872 506862376 /nfs/dbraw/zinc/86/23/76/506862376.db2.gz FPPFBEVJUVVIMP-JYRVWZFOSA-N 0 1 354.757 2.919 40 10 FFCBMN CCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(Cc2ccco2)C1=O ZINC000107603284 507859606 /nfs/dbraw/zinc/85/96/06/507859606.db2.gz IYDNFFSJGYJNIF-ZROIWOOFSA-N 0 1 374.780 2.994 40 10 FFCBMN Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1c(C)cccc1C ZINC000408993793 513096656 /nfs/dbraw/zinc/09/66/56/513096656.db2.gz FWLJHMOEGRDUAO-YBEGLDIGSA-N 0 1 351.406 2.803 40 10 FFCBMN