smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCOc1ccc(C(c2c(C)[nH]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1OCC ZINC000108423280 1069719341 /nfs/dbraw/zinc/71/93/41/1069719341.db2.gz HVMIMQGLXWCCMB-UHFFFAOYSA-N 0 2 534.616 5.677 40 30 KKEBLN C#CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C1=O ZINC000408822935 1069984224 /nfs/dbraw/zinc/98/42/24/1069984224.db2.gz CVWOPWIYJGBJGF-RFTFYFQISA-N 0 2 623.709 6.251 40 30 KKEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1Cl ZINC000408822894 1069984251 /nfs/dbraw/zinc/98/42/51/1069984251.db2.gz MREKOMODLNNFGY-KGENOOAVSA-N 0 2 521.356 5.251 40 30 KKEBLN C#CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1OCC ZINC000408824192 1069991719 /nfs/dbraw/zinc/99/17/19/1069991719.db2.gz GGDBTQZDIHONML-BUVRLJJBSA-N 0 2 589.442 5.414 40 30 KKEBLN C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1OCC ZINC000408821686 1069998317 /nfs/dbraw/zinc/99/83/17/1069998317.db2.gz AECKISHXALXKLV-OEAKJJBVSA-N 0 2 609.860 5.759 40 30 KKEBLN C=CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1OCC ZINC000408825192 1070011979 /nfs/dbraw/zinc/01/19/79/1070011979.db2.gz AOBUKHWBAHQCSJ-OEAKJJBVSA-N 0 2 658.876 6.154 40 30 KKEBLN C=CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1OC ZINC000408828665 1070014912 /nfs/dbraw/zinc/01/49/12/1070014912.db2.gz NLNCGCXECBXGGC-FYJGNVAPSA-N 0 2 597.849 5.921 40 30 KKEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1OC ZINC000408836140 1070039626 /nfs/dbraw/zinc/03/96/26/1070039626.db2.gz ZBHUIHFXNDXTLN-FYJGNVAPSA-N 0 2 553.398 5.812 40 30 KKEBLN C=CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408854986 1070073264 /nfs/dbraw/zinc/07/32/64/1070073264.db2.gz CFZYZIAXCYEYHQ-STBIYBPSSA-N 0 2 532.640 6.539 40 30 KKEBLN C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Cl ZINC000408948859 1070313412 /nfs/dbraw/zinc/31/34/12/1070313412.db2.gz HCVHFMVRGCQEPC-FOKLQQMPSA-N 0 2 549.454 6.140 40 30 KKEBLN C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OCC ZINC000408953082 1070316000 /nfs/dbraw/zinc/31/60/00/1070316000.db2.gz OSHVBFHNPAIVSQ-DHRITJCHSA-N 0 2 559.062 5.885 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccccc1C#N ZINC000408985073 1070344888 /nfs/dbraw/zinc/34/48/88/1070344888.db2.gz UWJDQBIZSJBUJN-OYKKKHCWSA-N 0 2 511.965 5.494 40 30 KKEBLN C=CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Br ZINC000409047627 1070459439 /nfs/dbraw/zinc/45/94/39/1070459439.db2.gz OXANJLFHKYELNK-FYJGNVAPSA-N 0 2 612.274 6.022 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1OCCC ZINC000409070913 1070496252 /nfs/dbraw/zinc/49/62/52/1070496252.db2.gz HIQYXEBMTALMEP-XSFVSMFZSA-N 0 2 513.388 5.032 40 30 KKEBLN CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cc(Br)c(O)c(Br)c3)c2C(=O)Nc2ccccc2)C1 ZINC000409088048 1070521870 /nfs/dbraw/zinc/52/18/70/1070521870.db2.gz VWJOWVCFFFSRDN-FFCNRAIOSA-N 0 2 590.381 8.133 40 30 KKEBLN N#Cc1ccccc1COc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000408903688 1070903284 /nfs/dbraw/zinc/90/32/84/1070903284.db2.gz WJFZMWQWMQWLGJ-MFKUBSTISA-N 0 2 552.384 5.719 40 30 KKEBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3c(OCc4ccccc4C#N)ccc4ccccc43)C2=O)c1 ZINC000408901163 1070925245 /nfs/dbraw/zinc/92/52/45/1070925245.db2.gz WMNODYNDYHVKGB-JVWAILMASA-N 0 2 501.542 5.574 40 30 KKEBLN CCN1C(=O)/C(=C\c2cc(Br)c(O)c(Br)c2)S/C1=N\c1cc(C)ccc1C ZINC000408907841 1070987710 /nfs/dbraw/zinc/98/77/10/1070987710.db2.gz PFOIVHJKYYDSSN-HBAVDNSESA-N 0 2 510.251 6.158 40 30 KKEBLN CCCC[Si]([C@@H]1CCC[C@H](C(F)(F)F)C1)([C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000195766539 1071214747 /nfs/dbraw/zinc/21/47/47/1071214747.db2.gz XIMIMAOJORLRCL-IBJQYKMBSA-N 0 2 538.655 10.603 40 30 KKEBLN N#Cc1ccccc1COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Br ZINC000408952539 1071345265 /nfs/dbraw/zinc/34/52/65/1071345265.db2.gz OFTAKRYEXYBAQO-KVSWJAHQSA-N 0 2 715.442 7.796 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OCC)c1OCC ZINC000408947780 1071369776 /nfs/dbraw/zinc/36/97/76/1071369776.db2.gz DDPPELLDNAUCKJ-LQKURTRISA-N 0 2 554.687 6.347 40 30 KKEBLN N#Cc1ccccc1COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Br ZINC000408947326 1071372179 /nfs/dbraw/zinc/37/21/79/1071372179.db2.gz BZOXJNGVQLFNQG-IPPBACCNSA-N 0 2 636.546 7.034 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408955855 1071381322 /nfs/dbraw/zinc/38/13/22/1071381322.db2.gz UWJPEONYPRWREM-FJEPWZHXSA-N 0 2 671.621 8.444 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408984055 1071512694 /nfs/dbraw/zinc/51/26/94/1071512694.db2.gz PNIGHPUBGACXND-XKZIYDEJSA-N 0 2 565.851 6.385 40 30 KKEBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000408982561 1071524603 /nfs/dbraw/zinc/52/46/03/1071524603.db2.gz HSDPTYNENHNMOO-QRVIBDJDSA-N 0 2 621.431 5.369 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408983092 1071521935 /nfs/dbraw/zinc/52/19/35/1071521935.db2.gz KIIJMAHSGPTBCS-UUYOSTAYSA-N 0 2 583.841 6.524 40 30 KKEBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCc4ccccc4C#N)c(Br)c3)C2=O)cc1Cl ZINC000408981643 1071533674 /nfs/dbraw/zinc/53/36/74/1071533674.db2.gz CDHVPZSGEZIODG-UWVJOHFNSA-N 0 2 585.241 6.181 40 30 KKEBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)[C@H]1C=CC=C[C@@H]1OS(=O)(=O)c1ccccc1 ZINC000408736905 1071554478 /nfs/dbraw/zinc/55/44/78/1071554478.db2.gz CLYWVOZQHPKRBI-NSOVKSMOSA-N 0 2 594.693 5.734 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1cccc(F)c1 ZINC000408994353 1071559452 /nfs/dbraw/zinc/55/94/52/1071559452.db2.gz YTBJGDDUHAZLIV-XYGWBWBKSA-N 0 2 514.553 5.371 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000408994375 1071558368 /nfs/dbraw/zinc/55/83/68/1071558368.db2.gz ZCPORDWVUBMRLP-XYGWBWBKSA-N 0 2 514.553 5.371 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000408993292 1071566634 /nfs/dbraw/zinc/56/66/34/1071566634.db2.gz WBDKSZXDBZZLCN-UUYOSTAYSA-N 0 2 691.747 6.989 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408991968 1071576235 /nfs/dbraw/zinc/57/62/35/1071576235.db2.gz RVBGFXNCLFSAKR-UUYOSTAYSA-N 0 2 599.898 7.328 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000408757138 1071633176 /nfs/dbraw/zinc/63/31/76/1071633176.db2.gz XIYHFIWBQVZYND-HZHRSRAPSA-N 0 2 549.396 5.871 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000408756645 1071637728 /nfs/dbraw/zinc/63/77/28/1071637728.db2.gz SZDYKODNQLMXPR-OEAKJJBVSA-N 0 2 640.328 6.503 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000408756295 1071638918 /nfs/dbraw/zinc/63/89/18/1071638918.db2.gz REISTZZBGPUVCX-YDZHTSKRSA-N 0 2 644.349 7.437 40 30 KKEBLN C=CCOc1c(CC=C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OCC ZINC000408754960 1071647746 /nfs/dbraw/zinc/64/77/46/1071647746.db2.gz SWEGODKMMIIHAS-XSFVSMFZSA-N 0 2 525.399 5.116 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000408760913 1071695802 /nfs/dbraw/zinc/69/58/02/1071695802.db2.gz AWFQFDUAVOXDNN-BUVRLJJBSA-N 0 2 609.904 6.784 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408760767 1071696370 /nfs/dbraw/zinc/69/63/70/1071696370.db2.gz FRYGDGPNCQAWKQ-BUVRLJJBSA-N 0 2 620.456 6.038 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408776506 1071749892 /nfs/dbraw/zinc/74/98/92/1071749892.db2.gz OSSWIEYAINBTFI-OEAKJJBVSA-N 0 2 565.851 6.385 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408774729 1071759502 /nfs/dbraw/zinc/75/95/02/1071759502.db2.gz CQEUQOSEUCBUFV-OEAKJJBVSA-N 0 2 610.302 6.494 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408773964 1071764013 /nfs/dbraw/zinc/76/40/13/1071764013.db2.gz KITRWNDAGOIOEF-PCLIKHOPSA-N 0 2 541.560 5.276 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000408772484 1071772862 /nfs/dbraw/zinc/77/28/62/1071772862.db2.gz LYDDYRHWAZQRFQ-OEAKJJBVSA-N 0 2 657.302 6.336 40 30 KKEBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000408772067 1071776199 /nfs/dbraw/zinc/77/61/99/1071776199.db2.gz KCDPDGHBHTXMHF-LQKURTRISA-N 0 2 551.002 5.865 40 30 KKEBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000408780775 1071821143 /nfs/dbraw/zinc/82/11/43/1071821143.db2.gz KDSXYUZKWMSEHE-KEBDBYFISA-N 0 2 522.344 5.119 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OCc1ccc2c(c1)OCO2 ZINC000408780975 1071821418 /nfs/dbraw/zinc/82/14/18/1071821418.db2.gz OYSRWXWSSISVPH-ZMOGYAJESA-N 0 2 540.572 5.015 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OCc1ccccc1C#N ZINC000408778704 1071835965 /nfs/dbraw/zinc/83/59/65/1071835965.db2.gz WYLDRPJNMOUTJK-ZVHZXABRSA-N 0 2 527.964 5.194 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OCC)c1OCc1cccc(C)c1 ZINC000408783044 1071873190 /nfs/dbraw/zinc/87/31/90/1071873190.db2.gz MQEUIAJEGBHFFS-WPWMEQJKSA-N 0 2 524.617 5.984 40 30 KKEBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000408791294 1071890411 /nfs/dbraw/zinc/89/04/11/1071890411.db2.gz YLZOXPFZWAZYRO-FSJBWODESA-N 0 2 529.980 5.473 40 30 KKEBLN C=CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000409050334 1071957817 /nfs/dbraw/zinc/95/78/17/1071957817.db2.gz USSZPZGJKAGRGW-LICLKQGHSA-N 0 2 534.204 5.060 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409066071 1072003972 /nfs/dbraw/zinc/00/39/72/1072003972.db2.gz AJLBWCRYKOPAEX-NDZAJKAJSA-N 0 2 619.630 6.156 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409066310 1072003473 /nfs/dbraw/zinc/00/34/73/1072003473.db2.gz LAKJUUUQCLJTBP-YZSQISJMSA-N 0 2 574.655 5.173 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000409067180 1071998634 /nfs/dbraw/zinc/99/86/34/1071998634.db2.gz OCLLOCJYWUOURZ-OEAKJJBVSA-N 0 2 565.453 6.674 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000409065639 1072007099 /nfs/dbraw/zinc/00/70/99/1072007099.db2.gz IJKOPZGUELCXLD-OEAKJJBVSA-N 0 2 592.402 5.340 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000409065597 1072009173 /nfs/dbraw/zinc/00/91/73/1072009173.db2.gz JLTLMRGMDRDQCC-PCLIKHOPSA-N 0 2 530.552 5.207 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000409064534 1072014604 /nfs/dbraw/zinc/01/46/04/1072014604.db2.gz HJOLASXXDXCGMS-LFVJCYFKSA-N 0 2 575.017 5.499 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409064322 1072015199 /nfs/dbraw/zinc/01/51/99/1072015199.db2.gz GOCQDFOVJYEPHX-YDZHTSKRSA-N 0 2 551.426 6.284 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409075777 1072057976 /nfs/dbraw/zinc/05/79/76/1072057976.db2.gz XXWWJONWLWYCIR-HYARGMPZSA-N 0 2 587.437 5.165 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409075018 1072064087 /nfs/dbraw/zinc/06/40/87/1072064087.db2.gz WRZYSVVSURAUFA-PCLIKHOPSA-N 0 2 547.007 5.721 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409074958 1072066118 /nfs/dbraw/zinc/06/61/18/1072066118.db2.gz VRLWAJLRXOXGJK-OEAKJJBVSA-N 0 2 581.850 6.085 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OCC)c1OCCC ZINC000409073139 1072077646 /nfs/dbraw/zinc/07/76/46/1072077646.db2.gz XPIGELPPYBBEMK-ZXVVBBHZSA-N 0 2 540.616 5.848 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000409072328 1072084398 /nfs/dbraw/zinc/08/43/98/1072084398.db2.gz JQMFPZWROAGMGZ-OGLMXYFKSA-N 0 2 567.041 6.866 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000409071795 1072086593 /nfs/dbraw/zinc/08/65/93/1072086593.db2.gz LLXMRRSYWXPIFG-PCLIKHOPSA-N 0 2 591.458 5.830 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OC)c1OS(=O)(=O)c1ccccc1 ZINC000409070341 1072095753 /nfs/dbraw/zinc/09/57/53/1072095753.db2.gz NZFFTXVVFPCZML-ZTKZIYFRSA-N 0 2 624.671 5.437 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000409069176 1072105358 /nfs/dbraw/zinc/10/53/58/1072105358.db2.gz CGJAWUHWFNEJJU-YZSQISJMSA-N 0 2 605.485 6.220 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409079746 1072131736 /nfs/dbraw/zinc/13/17/36/1072131736.db2.gz MCVXVDXJXBTIDD-RGVLZGJSSA-N 0 2 601.921 6.463 40 30 KKEBLN COc1cc(C=C2SC(=N)C(c3nccs3)=C2O)c(Br)cc1OCc1ccccc1 ZINC000409336569 1072331281 /nfs/dbraw/zinc/33/12/81/1072331281.db2.gz PSLWPMZIUQSHTE-UUUDEGSZSA-N 0 2 501.427 5.911 40 30 KKEBLN N=C1SC(=Cc2ccc(OCc3cccc4ccccc43)c(Br)c2)C(O)=C1c1nccs1 ZINC000409335512 1072338484 /nfs/dbraw/zinc/33/84/84/1072338484.db2.gz JFTMPLHCBGBCNW-IWTUMMDWSA-N 0 2 521.461 7.056 40 30 KKEBLN CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)ccc1OCc1cccc2ccccc21 ZINC000409334771 1072343465 /nfs/dbraw/zinc/34/34/65/1072343465.db2.gz ILZSBGBHVIURQL-AGXAIAEASA-N 0 2 515.660 6.649 40 30 KKEBLN CCOc1cc(C=C2SC(=N)C(c3nccs3)=C2O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409333823 1072349866 /nfs/dbraw/zinc/34/98/66/1072349866.db2.gz DFGFHKBYTIZPNR-NVQQQHFASA-N 0 2 594.350 7.064 40 30 KKEBLN CCc1nnc(C2=C(O)C(=Cc3cc(I)c(OCc4ccc(Br)cc4)c(OC)c3)SC2=N)s1 ZINC000409337465 1072496110 /nfs/dbraw/zinc/49/61/10/1072496110.db2.gz VDQAVPQIPVXHBA-YYIIPSDLSA-N 0 2 656.365 6.473 40 30 KKEBLN O=c1c2ccccc2nc(-c2cc3cc(Cl)ccc3o2)n1N=Cc1cc(Br)c(O)c(Br)c1 ZINC000409285735 1073354777 /nfs/dbraw/zinc/35/47/77/1073354777.db2.gz WXEDSPGDJZFDOG-UHFFFAOYSA-N 0 2 573.628 6.576 40 30 KKEBLN Cc1ccc(/N=C2/SC(CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2ccc3c(c2)OCO3)c(C)c1 ZINC000003251742 552322441 /nfs/dbraw/zinc/32/24/41/552322441.db2.gz LATNLQDSEMUUNI-RGTMHUHBSA-N 0 2 537.641 6.346 40 30 KKEBLN Cc1ccc(/N=C2/S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2ccc3c(c2)OCO3)c(C)c1 ZINC000003251742 552322443 /nfs/dbraw/zinc/32/24/43/552322443.db2.gz LATNLQDSEMUUNI-RGTMHUHBSA-N 0 2 537.641 6.346 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N/c3ccc(C)cc3C)N(Cc3ccc4c(c3)OCO4)C2=O)cc1OC ZINC000003283623 552336679 /nfs/dbraw/zinc/33/66/79/552336679.db2.gz NUFZQNORVHGQTE-LWPYMBBZSA-N 0 2 547.633 5.210 40 30 KKEBLN COc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(C)cc3C)N(Cc3ccc4c(c3)OCO4)C2=O)cc1OC ZINC000003283623 552336681 /nfs/dbraw/zinc/33/66/81/552336681.db2.gz NUFZQNORVHGQTE-LWPYMBBZSA-N 0 2 547.633 5.210 40 30 KKEBLN Cc1ccc(C)c(/N=C2/SC(CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2Cc2ccc3c(c2)OCO3)c1 ZINC000003340984 552363017 /nfs/dbraw/zinc/36/30/17/552363017.db2.gz YUHCSDHXLFZPQX-SOAOMDFOSA-N 0 2 555.578 6.211 40 30 KKEBLN Cc1ccc(C)c(/N=C2/S[C@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2Cc2ccc3c(c2)OCO3)c1 ZINC000003340984 552363020 /nfs/dbraw/zinc/36/30/20/552363020.db2.gz YUHCSDHXLFZPQX-SOAOMDFOSA-N 0 2 555.578 6.211 40 30 KKEBLN Oc1c(Cl)cc(Cl)cc1/C=N\N=c1/[nH][nH]/c(=N\N=C/c2cc(Cl)cc(Cl)c2O)c2ccccc21 ZINC000004946466 552490297 /nfs/dbraw/zinc/49/02/97/552490297.db2.gz WAQIATXYLWKENY-WYFABWFGSA-N 0 2 536.206 5.390 40 30 KKEBLN Oc1c(Br)cc(Br)cc1/C=N/N=C\c1cc(Br)cc(Br)c1O ZINC000005159172 552494221 /nfs/dbraw/zinc/49/42/21/552494221.db2.gz KGBGZCIYGGUQKO-WMXOHYAGSA-N 0 2 555.846 5.601 40 30 KKEBLN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2ccc(-c3ccccc3)cc2)c(C)c1 ZINC000012653786 553410139 /nfs/dbraw/zinc/41/01/39/553410139.db2.gz AQMODJGOUNSMFD-MTDXEUNCSA-N 0 2 500.580 6.125 40 30 KKEBLN Cc1ccc(/N=C2\SC(CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)C(=O)N2[C@H](C)C(C)C)c(C)c1 ZINC000015911351 553541134 /nfs/dbraw/zinc/54/11/34/553541134.db2.gz BDMSYDFLRBSLCP-AVFOXWCSSA-N 0 2 503.024 5.870 40 30 KKEBLN Cc1ccc(/N=C2\S[C@H](CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)C(=O)N2[C@H](C)C(C)C)c(C)c1 ZINC000015911351 553541136 /nfs/dbraw/zinc/54/11/36/553541136.db2.gz BDMSYDFLRBSLCP-AVFOXWCSSA-N 0 2 503.024 5.870 40 30 KKEBLN CCOc1ccccc1/N=C1/SC(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1[C@H](C)C(C)C ZINC000015911818 553541494 /nfs/dbraw/zinc/54/14/94/553541494.db2.gz YTQQSZLODSIQIQ-BXNYNESPSA-N 0 2 519.023 5.652 40 30 KKEBLN CCOc1ccccc1/N=C1/S[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1[C@H](C)C(C)C ZINC000015911818 553541495 /nfs/dbraw/zinc/54/14/95/553541495.db2.gz YTQQSZLODSIQIQ-BXNYNESPSA-N 0 2 519.023 5.652 40 30 KKEBLN Cc1cc(C)cc(/N=C2\SC(CC(=O)Nc3ccc(Br)cc3)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000015912909 553541818 /nfs/dbraw/zinc/54/18/18/553541818.db2.gz FKHCYKOGOVCWQO-DNGLHTMXSA-N 0 2 516.461 5.205 40 30 KKEBLN Cc1cc(C)cc(/N=C2\S[C@@H](CC(=O)Nc3ccc(Br)cc3)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000015912909 553541820 /nfs/dbraw/zinc/54/18/20/553541820.db2.gz FKHCYKOGOVCWQO-DNGLHTMXSA-N 0 2 516.461 5.205 40 30 KKEBLN Cc1cc2nc(-c3cccc(/N=C/c4cc(Cc5ccccc5Cl)cc([N+](=O)[O-])c4O)c3)oc2c(C)c1 ZINC000016268779 553558041 /nfs/dbraw/zinc/55/80/41/553558041.db2.gz AJKOZHMYDNNFNE-WCMJOSRZSA-N 0 2 511.965 7.720 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3ccc(OC)cc3)C(=O)N2Cc2cccs2)cc1 ZINC000020168751 553601437 /nfs/dbraw/zinc/60/14/37/553601437.db2.gz YPBFFWHGWMBOHM-UGSMRDLSSA-N 0 2 523.636 5.094 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(OC)cc3)C(=O)N2Cc2cccs2)cc1 ZINC000020168751 553601440 /nfs/dbraw/zinc/60/14/40/553601440.db2.gz YPBFFWHGWMBOHM-UGSMRDLSSA-N 0 2 523.636 5.094 40 30 KKEBLN O=C(CC1S/C(=N\c2ccc(F)cc2)N(Cc2ccc(Cl)cc2)C1=O)Nc1ccc(Cl)cc1 ZINC000020457913 553653990 /nfs/dbraw/zinc/65/39/90/553653990.db2.gz OTYMUZQFFXVIKF-FTFNENMSSA-N 0 2 502.398 6.293 40 30 KKEBLN O=C(C[C@H]1S/C(=N\c2ccc(F)cc2)N(Cc2ccc(Cl)cc2)C1=O)Nc1ccc(Cl)cc1 ZINC000020457913 553653993 /nfs/dbraw/zinc/65/39/93/553653993.db2.gz OTYMUZQFFXVIKF-FTFNENMSSA-N 0 2 502.398 6.293 40 30 KKEBLN O=C(CC1S/C(=N\c2ccc(F)cc2)N(Cc2ccc(Cl)cc2)C1=O)Nc1ccc(Cl)cc1 ZINC000020457912 553654049 /nfs/dbraw/zinc/65/40/49/553654049.db2.gz OTYMUZQFFXVIKF-DUKYEPHGSA-N 0 2 502.398 6.293 40 30 KKEBLN O=C(C[C@@H]1S/C(=N\c2ccc(F)cc2)N(Cc2ccc(Cl)cc2)C1=O)Nc1ccc(Cl)cc1 ZINC000020457912 553654052 /nfs/dbraw/zinc/65/40/52/553654052.db2.gz OTYMUZQFFXVIKF-DUKYEPHGSA-N 0 2 502.398 6.293 40 30 KKEBLN CCOc1ccccc1/N=C1/SC(CC(=O)Nc2cccc(Cl)c2C)C(=O)N1CCC1=CCCCC1 ZINC000096400525 553753700 /nfs/dbraw/zinc/75/37/00/553753700.db2.gz XVLWHWSHTSJMAO-SXTXFEDFSA-N 0 2 526.102 6.898 40 30 KKEBLN CCOc1ccccc1/N=C1/S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1CCC1=CCCCC1 ZINC000096400525 553753701 /nfs/dbraw/zinc/75/37/01/553753701.db2.gz XVLWHWSHTSJMAO-SXTXFEDFSA-N 0 2 526.102 6.898 40 30 KKEBLN CCOc1ccccc1/N=C1/SC(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1[C@@H](C)C(C)C ZINC000096400527 553753702 /nfs/dbraw/zinc/75/37/02/553753702.db2.gz YTQQSZLODSIQIQ-RQZWNLSOSA-N 0 2 519.023 5.652 40 30 KKEBLN CCOc1ccccc1/N=C1/S[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1[C@@H](C)C(C)C ZINC000096400527 553753703 /nfs/dbraw/zinc/75/37/03/553753703.db2.gz YTQQSZLODSIQIQ-RQZWNLSOSA-N 0 2 519.023 5.652 40 30 KKEBLN N#Cc1c(=O)[nH]c(-c2cc(Cl)ccc2O)cc1-c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 ZINC000096934620 553758224 /nfs/dbraw/zinc/75/82/24/553758224.db2.gz NZRBRJQYGLEINZ-UHFFFAOYSA-N 0 2 534.999 7.098 40 30 in-vitro KKEBLN COc1ccccc1NS(=O)(=O)c1ccc(N=NC(C)c2ccc(OC(F)F)cc2OC(F)F)c([N+](=O)[O-])c1 ZINC000097980712 553990615 /nfs/dbraw/zinc/99/06/15/553990615.db2.gz QASYGLKIOGTULW-QDTIIGTASA-N 0 2 572.493 5.443 40 30 KKEBLN Cc1ccc(/N=C2/SC(CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2ccc3c(c2)OCO3)c(C)c1 ZINC000097981995 553998870 /nfs/dbraw/zinc/99/88/70/553998870.db2.gz LATNLQDSEMUUNI-MFQHLKQYSA-N 0 2 537.641 6.346 40 30 KKEBLN Cc1ccc(/N=C2/S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2ccc3c(c2)OCO3)c(C)c1 ZINC000097981995 553998873 /nfs/dbraw/zinc/99/88/73/553998873.db2.gz LATNLQDSEMUUNI-MFQHLKQYSA-N 0 2 537.641 6.346 40 30 KKEBLN COc1ccc(Cl)cc1NC(=O)CC1S/C(=N\c2ccc(OC(F)F)cc2)N(Cc2ccccn2)C1=O ZINC000097982033 553999079 /nfs/dbraw/zinc/99/90/79/553999079.db2.gz AXNNGQUSBJHCJC-HVDXQADKSA-N 0 2 546.983 5.506 40 30 KKEBLN COc1ccc(Cl)cc1NC(=O)C[C@@H]1S/C(=N\c2ccc(OC(F)F)cc2)N(Cc2ccccn2)C1=O ZINC000097982033 553999084 /nfs/dbraw/zinc/99/90/84/553999084.db2.gz AXNNGQUSBJHCJC-HVDXQADKSA-N 0 2 546.983 5.506 40 30 KKEBLN CCOc1ccccc1/N=C1/SC(CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1[C@H](C)CCC(C)C ZINC000097982087 553999781 /nfs/dbraw/zinc/99/97/81/553999781.db2.gz ONMJSXAPMVKMLL-UAUOLYFFSA-N 0 2 535.632 6.889 40 30 KKEBLN CCOc1ccccc1/N=C1/S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1[C@H](C)CCC(C)C ZINC000097982087 553999785 /nfs/dbraw/zinc/99/97/85/553999785.db2.gz ONMJSXAPMVKMLL-UAUOLYFFSA-N 0 2 535.632 6.889 40 30 KKEBLN COc1cc(Cl)c(C)cc1NC(=O)CC1S/C(=N\c2cccc3ccccc32)N(Cc2ccccn2)C1=O ZINC000097982111 553999797 /nfs/dbraw/zinc/99/97/97/553999797.db2.gz KGJOVDFVBFZMFY-YOXYEXBHSA-N 0 2 545.064 6.366 40 30 KKEBLN COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1S/C(=N\c2cccc3ccccc32)N(Cc2ccccn2)C1=O ZINC000097982111 553999801 /nfs/dbraw/zinc/99/98/01/553999801.db2.gz KGJOVDFVBFZMFY-YOXYEXBHSA-N 0 2 545.064 6.366 40 30 KKEBLN COc1ccc(OC)c(NC(=O)CSc2nc3ccc(/N=C/c4cc([N+](=O)[O-])ccc4O)cc3s2)c1 ZINC000100331170 554313763 /nfs/dbraw/zinc/31/37/63/554313763.db2.gz OLXAKTFSENKIFT-BRJLIKDPSA-N 0 2 524.580 5.409 40 30 KKEBLN COc1ccc(/N=C2/SC(CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000059254549 554387103 /nfs/dbraw/zinc/38/71/03/554387103.db2.gz FWMOSYFFEPNGIS-IHMZUKPYSA-N 0 2 523.586 5.012 40 30 KKEBLN COc1ccc(/N=C2/S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000059254549 554387104 /nfs/dbraw/zinc/38/71/04/554387104.db2.gz FWMOSYFFEPNGIS-IHMZUKPYSA-N 0 2 523.586 5.012 40 30 KKEBLN O=[N+]([O-])c1cc(/C=N/c2ccc3nc(SCc4ccc5c(c4)Cc4ccccc4-5)sc3c2)ccc1O ZINC000059472560 554396591 /nfs/dbraw/zinc/39/65/91/554396591.db2.gz DCOYIJBNHKVYNP-WKULSOCRSA-N 0 2 509.612 7.524 40 30 KKEBLN O=C(C[C@@H]1S/C(=N/S(=O)(=O)c2ccc(Cl)cc2)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000100975681 554546823 /nfs/dbraw/zinc/54/68/23/554546823.db2.gz LYUNOOPTSDYQQX-LGADCTONSA-N 0 2 534.446 5.216 40 30 KKEBLN O=C(C[C@H]1S/C(=N/S(=O)(=O)c2ccc(Cl)s2)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000100975573 554546861 /nfs/dbraw/zinc/54/68/61/554546861.db2.gz ZBOPVAGOJMWZRS-VRCPTZKISA-N 0 2 540.475 5.277 40 30 KKEBLN O=S(=O)(N=C(Nc1cc(Br)c(O)c(Br)c1Br)c1ccccc1)c1ccccc1 ZINC000101028325 554564305 /nfs/dbraw/zinc/56/43/05/554564305.db2.gz QXUQAWOGZVSDNX-UHFFFAOYSA-N 0 2 589.103 5.927 40 30 KKEBLN Cc1ccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3ccc(Br)cc3)N(C3CCCCC3)C2=O)cc1 ZINC000101042744 554567935 /nfs/dbraw/zinc/56/79/35/554567935.db2.gz BQOFTGGSKMFUQB-BPMVYWJCSA-N 0 2 564.527 5.108 40 30 KKEBLN CCCCCCOc1ccc(NC(=O)CC2S/C(=N/c3ccc(Cl)cc3)N(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000101597948 554803706 /nfs/dbraw/zinc/80/37/06/554803706.db2.gz PXULHBLLPZWLMQ-NQUVYBQDSA-N 0 2 580.150 7.468 40 30 KKEBLN CCCCCCOc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(Cl)cc3)N(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000101597948 554803709 /nfs/dbraw/zinc/80/37/09/554803709.db2.gz PXULHBLLPZWLMQ-NQUVYBQDSA-N 0 2 580.150 7.468 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2/SC(CC(=O)Nc3ccc(OC)cc3)C(=O)N2CCc2ccccc2)cc1 ZINC000101663717 554822005 /nfs/dbraw/zinc/82/20/05/554822005.db2.gz NYZHNTRAUUQARH-OGDSKJGMSA-N 0 2 531.634 5.075 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2/S[C@@H](CC(=O)Nc3ccc(OC)cc3)C(=O)N2CCc2ccccc2)cc1 ZINC000101663717 554822010 /nfs/dbraw/zinc/82/20/10/554822010.db2.gz NYZHNTRAUUQARH-OGDSKJGMSA-N 0 2 531.634 5.075 40 30 KKEBLN O=C(C[C@H]1S/C(=N\c2cccc(C(F)(F)F)c2)N(Cc2ccc3c(c2)OCO3)C1=O)NCCc1ccccc1 ZINC000102406508 554921074 /nfs/dbraw/zinc/92/10/74/554921074.db2.gz AHLNVCPBBCPLRU-TXBHVNISSA-N 0 2 555.578 5.315 40 30 KKEBLN O=C(CC1S/C(=N\c2cccc(C(F)(F)F)c2)N(Cc2ccc3c(c2)OCO3)C1=O)NCCc1ccccc1 ZINC000102406508 554921076 /nfs/dbraw/zinc/92/10/76/554921076.db2.gz AHLNVCPBBCPLRU-TXBHVNISSA-N 0 2 555.578 5.315 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3ccc(OC)cc3)C(=O)N2CCc2ccccc2F)cc1 ZINC000102406569 554921089 /nfs/dbraw/zinc/92/10/89/554921089.db2.gz XILQVWXZKZAKRX-CALDVZBHSA-N 0 2 549.624 5.214 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@H](CC(=O)Nc3ccc(OC)cc3)C(=O)N2CCc2ccccc2F)cc1 ZINC000102406569 554921091 /nfs/dbraw/zinc/92/10/91/554921091.db2.gz XILQVWXZKZAKRX-CALDVZBHSA-N 0 2 549.624 5.214 40 30 KKEBLN CCOc1ccc(NC(=O)CC2S/C(=N\c3ccccc3F)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000102406685 554921102 /nfs/dbraw/zinc/92/11/02/554921102.db2.gz ZUOJRXKIRCEJJF-LVGDFUMNSA-N 0 2 551.640 5.445 40 30 KKEBLN CCOc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3F)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000102406685 554921106 /nfs/dbraw/zinc/92/11/06/554921106.db2.gz ZUOJRXKIRCEJJF-LVGDFUMNSA-N 0 2 551.640 5.445 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N2CCc2ccc(F)cc2)cc1 ZINC000102407964 554922194 /nfs/dbraw/zinc/92/21/94/554922194.db2.gz KJUCWHIMYFDYBP-YVASRGEISA-N 0 2 588.488 6.512 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@H](CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N2CCc2ccc(F)cc2)cc1 ZINC000102407964 554922200 /nfs/dbraw/zinc/92/22/00/554922200.db2.gz KJUCWHIMYFDYBP-YVASRGEISA-N 0 2 588.488 6.512 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3ccc(OCC)cc3)C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000102407914 554922241 /nfs/dbraw/zinc/92/22/41/554922241.db2.gz PXBQPXRRKJDHIO-SKCJHTIKSA-N 0 2 575.643 5.151 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@H](CC(=O)Nc3ccc(OCC)cc3)C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000102407914 554922244 /nfs/dbraw/zinc/92/22/44/554922244.db2.gz PXBQPXRRKJDHIO-SKCJHTIKSA-N 0 2 575.643 5.151 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3ccc(OCC)cc3)C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000102407920 554922275 /nfs/dbraw/zinc/92/22/75/554922275.db2.gz PXBQPXRRKJDHIO-FPVUOMKESA-N 0 2 575.643 5.151 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(OCC)cc3)C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000102407920 554922277 /nfs/dbraw/zinc/92/22/77/554922277.db2.gz PXBQPXRRKJDHIO-FPVUOMKESA-N 0 2 575.643 5.151 40 30 KKEBLN CCOC(=O)c1ccc(NC(=O)CC2S/C(=N\c3ccc(OC(F)(F)Cl)cc3)N(Cc3ccccc3)C2=O)cc1 ZINC000102408160 554922531 /nfs/dbraw/zinc/92/25/31/554922531.db2.gz AJZNKAVPJSYNMD-XGNCBHKFSA-N 0 2 588.032 6.192 40 30 KKEBLN CCOC(=O)c1ccc(NC(=O)C[C@H]2S/C(=N\c3ccc(OC(F)(F)Cl)cc3)N(Cc3ccccc3)C2=O)cc1 ZINC000102408160 554922532 /nfs/dbraw/zinc/92/25/32/554922532.db2.gz AJZNKAVPJSYNMD-XGNCBHKFSA-N 0 2 588.032 6.192 40 30 KKEBLN CCCOc1ccc(NC(=O)CC2S/C(=N\c3cccc(C(F)(F)F)c3)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000102408392 554922744 /nfs/dbraw/zinc/92/27/44/554922744.db2.gz VVFRCUFAXWBHHV-VMQZSWSVSA-N 0 2 615.674 6.714 40 30 KKEBLN CCCOc1ccc(NC(=O)C[C@@H]2S/C(=N\c3cccc(C(F)(F)F)c3)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000102408392 554922747 /nfs/dbraw/zinc/92/27/47/554922747.db2.gz VVFRCUFAXWBHHV-VMQZSWSVSA-N 0 2 615.674 6.714 40 30 KKEBLN CCCCCCOc1ccc(NC(=O)CC2S/C(=N/c3ccc(Cl)c(Cl)c3)N(CC)C2=O)cc1 ZINC000102408264 554922773 /nfs/dbraw/zinc/92/27/73/554922773.db2.gz YGEBMROOUZMWGJ-CVRXZBCSSA-N 0 2 522.498 6.933 40 30 KKEBLN CCCCCCOc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(Cl)c(Cl)c3)N(CC)C2=O)cc1 ZINC000102408264 554922777 /nfs/dbraw/zinc/92/27/77/554922777.db2.gz YGEBMROOUZMWGJ-CVRXZBCSSA-N 0 2 522.498 6.933 40 30 KKEBLN CC(=O)c1ccc(NC(=O)CC2SC(=Nc3ccc(Cl)c(Cl)c3)N(C3CCCC3)C2=O)cc1 ZINC000102961107 555176316 /nfs/dbraw/zinc/17/63/16/555176316.db2.gz KIJSHMZIKATLRE-DEKGPOLGSA-N 0 2 504.439 6.099 40 30 KKEBLN CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)c(Cl)c3)N(C3CCCC3)C2=O)cc1 ZINC000102961107 555176319 /nfs/dbraw/zinc/17/63/19/555176319.db2.gz KIJSHMZIKATLRE-DEKGPOLGSA-N 0 2 504.439 6.099 40 30 KKEBLN Cc1cccc(C)c1NC(=O)CC1S/C(=N\c2ccc(Cl)c(Cl)c2)N(Cc2ccccn2)C1=O ZINC000102961104 555176429 /nfs/dbraw/zinc/17/64/29/555176429.db2.gz DOKWANJDTFUTMZ-ZHLRLBJSSA-N 0 2 513.450 6.166 40 30 KKEBLN Cc1cccc(C)c1NC(=O)C[C@@H]1S/C(=N\c2ccc(Cl)c(Cl)c2)N(Cc2ccccn2)C1=O ZINC000102961104 555176434 /nfs/dbraw/zinc/17/64/34/555176434.db2.gz DOKWANJDTFUTMZ-ZHLRLBJSSA-N 0 2 513.450 6.166 40 30 KKEBLN Cc1c(Cl)cccc1NC(=O)CC1S/C(=N/c2cccc3ccccc32)N(C[C@@H]2CCCO2)C1=O ZINC000102961337 555176847 /nfs/dbraw/zinc/17/68/47/555176847.db2.gz PERCQBCSDLQIGM-YVDXJEMHSA-N 0 2 508.043 5.941 40 30 KKEBLN Cc1c(Cl)cccc1NC(=O)C[C@H]1S/C(=N/c2cccc3ccccc32)N(C[C@@H]2CCCO2)C1=O ZINC000102961337 555176851 /nfs/dbraw/zinc/17/68/51/555176851.db2.gz PERCQBCSDLQIGM-YVDXJEMHSA-N 0 2 508.043 5.941 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N\c3ccc(SC(F)F)cc3)N(C3CCCC3)C2=O)c(OC)c1 ZINC000102961389 555177182 /nfs/dbraw/zinc/17/71/82/555177182.db2.gz RPCYDQUPNIWZSK-SFYCHCKNSA-N 0 2 535.638 5.921 40 30 KKEBLN COc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccc(SC(F)F)cc3)N(C3CCCC3)C2=O)c(OC)c1 ZINC000102961389 555177184 /nfs/dbraw/zinc/17/71/84/555177184.db2.gz RPCYDQUPNIWZSK-SFYCHCKNSA-N 0 2 535.638 5.921 40 30 KKEBLN COc1ccc(N=C2SC(CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000102961609 555177570 /nfs/dbraw/zinc/17/75/70/555177570.db2.gz LCDHALVKESFWQK-ACGBPZOYSA-N 0 2 561.660 5.118 40 30 KKEBLN COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000102961609 555177572 /nfs/dbraw/zinc/17/75/72/555177572.db2.gz LCDHALVKESFWQK-ACGBPZOYSA-N 0 2 561.660 5.118 40 30 KKEBLN O=C(CC1S/C(=N/c2ccc(OC(F)F)cc2)N([C@@H]2CCCc3ccccc32)C1=O)Nc1ccccc1 ZINC000102961971 555178038 /nfs/dbraw/zinc/17/80/38/555178038.db2.gz GWCXNJWXRCEVQI-GTZGZJAZSA-N 0 2 521.589 6.326 40 30 KKEBLN O=C(C[C@@H]1S/C(=N/c2ccc(OC(F)F)cc2)N([C@@H]2CCCc3ccccc32)C1=O)Nc1ccccc1 ZINC000102961971 555178039 /nfs/dbraw/zinc/17/80/39/555178039.db2.gz GWCXNJWXRCEVQI-GTZGZJAZSA-N 0 2 521.589 6.326 40 30 KKEBLN Cc1cc(C)cc(/N=C2\SC(CC(=O)Nc3ccc(I)cc3)C(=O)N2C2CCCC2)c1 ZINC000102961997 555178067 /nfs/dbraw/zinc/17/80/67/555178067.db2.gz PUONHWYGYMEQJM-AQTDBHCXSA-N 0 2 547.462 5.811 40 30 KKEBLN Cc1cc(C)cc(/N=C2\S[C@@H](CC(=O)Nc3ccc(I)cc3)C(=O)N2C2CCCC2)c1 ZINC000102961997 555178069 /nfs/dbraw/zinc/17/80/69/555178069.db2.gz PUONHWYGYMEQJM-AQTDBHCXSA-N 0 2 547.462 5.811 40 30 KKEBLN Cc1ccc(/N=C2\SC(CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)C(=O)N2[C@@H](C)C(C)C)c(C)c1 ZINC000102962349 555178530 /nfs/dbraw/zinc/17/85/30/555178530.db2.gz BDMSYDFLRBSLCP-IPTCSCHISA-N 0 2 503.024 5.870 40 30 KKEBLN Cc1ccc(/N=C2\S[C@@H](CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)C(=O)N2[C@@H](C)C(C)C)c(C)c1 ZINC000102962349 555178532 /nfs/dbraw/zinc/17/85/32/555178532.db2.gz BDMSYDFLRBSLCP-IPTCSCHISA-N 0 2 503.024 5.870 40 30 KKEBLN COc1cc([N+](=O)[O-])ccc1NC(=O)CC1S/C(=N/c2ccc(C)cc2C)N(CCC2=CCCCC2)C1=O ZINC000102962375 555178680 /nfs/dbraw/zinc/17/86/80/555178680.db2.gz GGBZVIYLJCNBIK-AGZANAATSA-N 0 2 536.654 6.071 40 30 KKEBLN Cc1ccc(/N=C2/SC(CC(=O)Nc3ccc(Br)cc3)C(=O)N2CCC2=CCCCC2)c(C)c1 ZINC000102962438 555178701 /nfs/dbraw/zinc/17/87/01/555178701.db2.gz MPKNYAYRHODSFM-IHMZUKPYSA-N 0 2 540.527 6.917 40 30 KKEBLN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2cc(Br)cc(Br)c2O)c(C)c1 ZINC000102980428 555187342 /nfs/dbraw/zinc/18/73/42/555187342.db2.gz VWNLSNIHAFQEME-BHGWPJFGSA-N 0 2 598.273 5.689 40 30 KKEBLN Cc1ccc(NS(=O)(=O)c2ccc(N=NCc3cc(Br)cc(Br)c3O)c([N+](=O)[O-])c2)c(C)c1 ZINC000102982039 555188440 /nfs/dbraw/zinc/18/84/40/555188440.db2.gz HZPSRKKMCPLEMQ-BHGWPJFGSA-N 0 2 598.273 5.689 40 30 KKEBLN COC(=O)c1ccc(COc2ccccc2CN=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccccc2OC)cc1 ZINC000102984082 555189938 /nfs/dbraw/zinc/18/99/38/555189938.db2.gz KLZVVCHZLTXUHE-UXHLAJHPSA-N 0 2 590.614 5.216 40 30 KKEBLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1c2ccccc2n(C)c1-c1ccccc1 ZINC000102984057 555189946 /nfs/dbraw/zinc/18/99/46/555189946.db2.gz QEEYVNPATKFXMB-NDZAJKAJSA-N 0 2 555.616 6.009 40 30 KKEBLN CCCCCCCCCCCCc1ccc(CSc2nc3ccc(/N=C/c4ccc(O)c([N+](=O)[O-])c4)cc3s2)cc1 ZINC000103746134 555466327 /nfs/dbraw/zinc/46/63/27/555466327.db2.gz CGDFPHVNJAXDEN-PPFNPFNJSA-N 0 2 589.827 10.416 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(OCC)ccc3OCC)C2=O)cc(OC)c1OCc1ccccc1C#N ZINC000103846368 571363438 /nfs/dbraw/zinc/36/34/38/571363438.db2.gz ODCOKENFEQMJQZ-WGOQTCKBSA-N 0 2 581.625 5.338 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000103850654 571364591 /nfs/dbraw/zinc/36/45/91/571364591.db2.gz OCYMSLNYZXNSRZ-LPYMAVHISA-N 0 2 580.366 5.470 40 30 KKEBLN Cc1c(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c2ccccc2n1Cc1ccccc1C#N ZINC000103859164 571366975 /nfs/dbraw/zinc/36/69/75/571366975.db2.gz OOHQGTDAGSBBST-ZVHZXABRSA-N 0 2 539.389 5.299 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000103859532 571367304 /nfs/dbraw/zinc/36/73/04/571367304.db2.gz NCFVDOIVRRMBKZ-PCLIKHOPSA-N 0 2 575.459 6.130 40 30 KKEBLN CO[C@@H](C(=O)C1=C2Oc3c4c(cc(O)c3C(=O)[C@@H]2C2=C(CCCC2)C1=O)OC(C)(C)C=C4)[C@H](C)CCC=C(C)C ZINC000104195005 571376577 /nfs/dbraw/zinc/37/65/77/571376577.db2.gz MMYDZXDNKCPDCM-PZURVXRCSA-N 0 2 546.660 6.442 40 30 KKEBLN CO[C@@H](C(=O)c1c(=O)c2c(c3c(O)c4c(O)cc5c(c4oc1-3)C=CC(C)(C)O5)CCCC2)[C@H](C)CCC=C(C)C ZINC000104195005 571376578 /nfs/dbraw/zinc/37/65/78/571376578.db2.gz MMYDZXDNKCPDCM-PZURVXRCSA-N 0 2 546.660 6.442 40 30 KKEBLN O/N=C(\Cc1nc2cc(Cl)c(Cl)cc2nc1C/C(=N\O)c1cccc2ccccc21)c1cccc2ccccc21 ZINC000104241385 571377691 /nfs/dbraw/zinc/37/76/91/571377691.db2.gz XGAXJFRCSPWSHO-RIGUPBQNSA-N 0 2 565.460 8.085 40 30 KKEBLN N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000105515225 571407107 /nfs/dbraw/zinc/40/71/07/571407107.db2.gz REUKUZMQODXCNS-UHFFFAOYSA-N 0 2 575.619 5.627 40 30 KKEBLN CCCCCCCCCCCCCCCCCc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(c2c(C)[nH]n(-c3ccccc3)c2=O)C(=O)N(c2ccccc2)N=C1C ZINC000150382561 571467280 /nfs/dbraw/zinc/46/72/80/571467280.db2.gz AQPRQSHMCOYYFU-NGTQPYKRSA-N 0 2 743.009 10.715 40 30 KKEBLN CCCOc1ccc(NC(=O)CC2S/C(=N\c3ccc(Cl)cc3)N(CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 ZINC000150416732 571485974 /nfs/dbraw/zinc/48/59/74/571485974.db2.gz ZDERGLLUFIUHJX-JLINENICSA-N 0 2 650.079 7.128 40 30 KKEBLN CCCOc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccc(Cl)cc3)N(CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 ZINC000150416732 571485976 /nfs/dbraw/zinc/48/59/76/571485976.db2.gz ZDERGLLUFIUHJX-JLINENICSA-N 0 2 650.079 7.128 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000164312312 571545588 /nfs/dbraw/zinc/54/55/88/571545588.db2.gz IWGGBLQEJGORAO-ZSNJKBEMSA-N 0 2 652.791 8.290 40 30 KKEBLN N#Cc1ccccc1COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I ZINC000164450822 571547887 /nfs/dbraw/zinc/54/78/87/571547887.db2.gz DFGJYZMXABKOQV-DJKKODMXSA-N 0 2 707.116 5.933 40 30 KKEBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000164466019 571548406 /nfs/dbraw/zinc/54/84/06/571548406.db2.gz AYGOFKRTMJOUHN-SRZZPIQSSA-N 0 2 625.273 5.727 40 30 KKEBLN CCCCCCCCCCCCc1ccc(CSc2nc3ccc(/N=C/c4cc(I)c(O)c(I)c4)cc3s2)cc1 ZINC000164467143 571548611 /nfs/dbraw/zinc/54/86/11/571548611.db2.gz IJPXNGXIRAXXIN-HPNXWYHWSA-N 0 2 796.622 11.717 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1Cl ZINC000408538936 572199912 /nfs/dbraw/zinc/19/99/12/572199912.db2.gz RSBHRHQXRYKQAV-RCCKNPSSSA-N 0 2 533.452 6.798 40 30 KKEBLN CCCCCCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OCC ZINC000408539558 572202395 /nfs/dbraw/zinc/20/23/95/572202395.db2.gz XLVGFCMFLHROLM-IADYIPOJSA-N 0 2 570.686 7.070 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OCC ZINC000408539880 572203869 /nfs/dbraw/zinc/20/38/69/572203869.db2.gz ZSOQWQBQKABIEM-RCCKNPSSSA-N 0 2 561.448 6.393 40 30 KKEBLN C=CCc1cc([N+](=O)[O-])cc(C=Nc2sc3c(c2C(=O)OCC)CC[N@H+](Cc2ccccc2)C3)c1[O-] ZINC000245229162 572206370 /nfs/dbraw/zinc/20/63/70/572206370.db2.gz PFYMPXPHFLMRNK-UHFFFAOYSA-N 0 2 505.596 5.576 40 30 KKEBLN C=CCc1cc([N+](=O)[O-])cc(C=Nc2sc3c(c2C(=O)OCC)CC[N@@H+](Cc2ccccc2)C3)c1[O-] ZINC000245229162 572206373 /nfs/dbraw/zinc/20/63/73/572206373.db2.gz PFYMPXPHFLMRNK-UHFFFAOYSA-N 0 2 505.596 5.576 40 30 KKEBLN CCCCCCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCCC)c(OC)c3)C2=O)cc1 ZINC000408540791 572207074 /nfs/dbraw/zinc/20/70/74/572207074.db2.gz VXNIUJJAAXWJMT-CLCOLTQESA-N 0 2 508.615 5.890 40 30 KKEBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000408982904 1069766695 /nfs/dbraw/zinc/76/66/95/1069766695.db2.gz IUFSGBKWNDCDCO-QRVIBDJDSA-N 0 2 574.431 5.527 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408991214 1069768305 /nfs/dbraw/zinc/76/83/05/1069768305.db2.gz PSNPTTCMDOMTQE-XYGWBWBKSA-N 0 2 541.560 5.140 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408768581 1069874221 /nfs/dbraw/zinc/87/42/21/1069874221.db2.gz YPICVZCESVUDKB-WGOQTCKBSA-N 0 2 601.884 7.230 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408775349 1069892581 /nfs/dbraw/zinc/89/25/81/1069892581.db2.gz GSYKGDHFKXUCNA-OEAKJJBVSA-N 0 2 535.427 6.584 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000408778371 1069896986 /nfs/dbraw/zinc/89/69/86/1069896986.db2.gz SHYOQNBNQPJXLP-BUVRLJJBSA-N 0 2 595.877 6.475 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000408778826 1069899253 /nfs/dbraw/zinc/89/92/53/1069899253.db2.gz LYOIQJOFASCIPW-AFUMVMLFSA-N 0 2 570.443 5.912 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OCC)c1OCc1ccc(I)cc1 ZINC000408784616 1069912226 /nfs/dbraw/zinc/91/22/26/1069912226.db2.gz VYUNOWIZYPXXFM-PCLIKHOPSA-N 0 2 622.459 5.972 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OCC)c1OCc1ccccc1C#N ZINC000408781417 1069915652 /nfs/dbraw/zinc/91/56/52/1069915652.db2.gz SEFUWRKSZIRBCC-WGOQTCKBSA-N 0 2 521.573 5.239 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000408787187 1069923769 /nfs/dbraw/zinc/92/37/69/1069923769.db2.gz UCYUEEXHCQKKBL-ZVHZXABRSA-N 0 2 565.453 6.674 40 30 KKEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc1OC ZINC000408825928 1070001810 /nfs/dbraw/zinc/00/18/10/1070001810.db2.gz SCEZHNLAXBNMBN-PWRNKBSVSA-N 0 2 660.170 7.457 40 30 KKEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)cc1OCC ZINC000408826201 1070003177 /nfs/dbraw/zinc/00/31/77/1070003177.db2.gz BSYFINGJVXWKMA-YCIVEAHWSA-N 0 2 639.752 7.194 40 30 KKEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1OC ZINC000408831472 1070021072 /nfs/dbraw/zinc/02/10/72/1070021072.db2.gz QVAJRDPAITTWHL-OEAKJJBVSA-N 0 2 532.980 5.467 40 30 KKEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1Br ZINC000408835209 1070036179 /nfs/dbraw/zinc/03/61/79/1070036179.db2.gz NESZIGILQQJJDE-HYARGMPZSA-N 0 2 612.274 6.022 40 30 KKEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1Br ZINC000408835837 1070038974 /nfs/dbraw/zinc/03/89/74/1070038974.db2.gz YKHNGUPWIFOEAT-CIAFOILYSA-N 0 2 602.268 6.566 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OC)c1OCC#N ZINC000408852106 1070058868 /nfs/dbraw/zinc/05/88/68/1070058868.db2.gz IIKRONIFGYKQKZ-JFLMPSFJSA-N 0 2 551.643 5.460 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408849831 1070063423 /nfs/dbraw/zinc/06/34/23/1070063423.db2.gz ZMIOGFAODGEEHQ-FSJBWODESA-N 0 2 614.323 7.347 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408849799 1070063643 /nfs/dbraw/zinc/06/36/43/1070063643.db2.gz ZDYWZVVOJWIPJF-KCSSXMTESA-N 0 2 617.702 7.037 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408855408 1070074829 /nfs/dbraw/zinc/07/48/29/1070074829.db2.gz MQEZDBYEIKTISJ-PCLIKHOPSA-N 0 2 500.982 5.931 40 30 KKEBLN C#CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1I ZINC000408859150 1070080812 /nfs/dbraw/zinc/08/08/12/1070080812.db2.gz LXPWXQASWZYQQX-FOKLQQMPSA-N 0 2 732.356 6.042 40 30 KKEBLN Cc1ccc(/N=C2\S/C(=C/c3cc(Br)c(O)c(Br)c3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000408908659 1070195050 /nfs/dbraw/zinc/19/50/50/1070195050.db2.gz AVSKNRLDSKZGKO-CIFGJUBISA-N 0 2 558.295 7.343 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408992918 1070358827 /nfs/dbraw/zinc/35/88/27/1070358827.db2.gz UZNAWVBRMDARDZ-QRVIBDJDSA-N 0 2 561.978 5.539 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OCc1cccc(C)c1 ZINC000408993317 1070368404 /nfs/dbraw/zinc/36/84/04/1070368404.db2.gz WDSCGRDIZVPNHS-OYKKKHCWSA-N 0 2 531.008 5.939 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OC)c1OCc1ccccc1F ZINC000409066354 1070482680 /nfs/dbraw/zinc/48/26/80/1070482680.db2.gz MSRNFSLRXYQOSM-LPYMAVHISA-N 0 2 534.971 5.770 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409067069 1070483210 /nfs/dbraw/zinc/48/32/10/1070483210.db2.gz NQLGBEHOFRNMCM-PCLIKHOPSA-N 0 2 541.560 5.276 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409067568 1070483977 /nfs/dbraw/zinc/48/39/77/1070483977.db2.gz FIPMAMMORQSAKF-PCLIKHOPSA-N 0 2 547.007 5.721 40 30 KKEBLN N=C1SC(=Cc2cc(I)c(OCc3cccc4ccccc43)c(I)c2)C(O)=C1c1nccs1 ZINC000409333914 1070839946 /nfs/dbraw/zinc/83/99/46/1070839946.db2.gz FWMPACGNTZWCEY-QLHXHSKXSA-N 0 2 694.357 7.502 40 30 KKEBLN Cc1ccc(-c2oc(/N=C/c3cc(I)cc(I)c3O)c(C#N)c2-c2ccc(C)cc2)cc1 ZINC000409366937 1070890465 /nfs/dbraw/zinc/89/04/65/1070890465.db2.gz XTMUPWOBBFMHJS-AMVVHIIESA-N 0 2 644.250 7.768 40 30 KKEBLN N#Cc1ccccc1COc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408897943 1070962901 /nfs/dbraw/zinc/96/29/01/1070962901.db2.gz JTNMEIFRJWNKSP-MFKUBSTISA-N 0 2 507.933 5.610 40 30 KKEBLN Cc1ccc(/N=C2\S/C(=C/c3cc(Br)c(O)c(Br)c3)C(=O)N2CCc2ccccc2)cc1 ZINC000408913726 1071016749 /nfs/dbraw/zinc/01/67/49/1071016749.db2.gz RJOIIGMJLJHRDB-RLRMVDLFSA-N 0 2 572.322 7.072 40 30 KKEBLN CCc1ccccc1/N=C1\S/C(=C/c2cc(Br)c(O)c(Br)c2)C(=O)N1CC ZINC000408912524 1071022491 /nfs/dbraw/zinc/02/24/91/1071022491.db2.gz NJLCSTJHCHWNFE-BPRJVQAXSA-N 0 2 510.251 6.104 40 30 KKEBLN CCc1ccccc1/N=C1\S/C(=C/c2cc(Br)c(O)c(Br)c2)C(=O)N1C1CCCCC1 ZINC000408912342 1071023899 /nfs/dbraw/zinc/02/38/99/1071023899.db2.gz NEFPDZLJDCIBKL-ZDGMEELJSA-N 0 2 564.343 7.416 40 30 KKEBLN O=C1/C(=C/c2ccc(O)c([N+](=O)[O-])c2)S/C(=N\c2ccc([N+](=O)[O-])cc2)N1CCc1c[nH]c2ccccc12 ZINC000408940649 1071314537 /nfs/dbraw/zinc/31/45/37/1071314537.db2.gz VEXOXMXKBBOZPH-VRANQKIWSA-N 0 2 529.534 5.537 40 30 KKEBLN N#Cc1ccccc1COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1I ZINC000408951076 1071352209 /nfs/dbraw/zinc/35/22/09/1071352209.db2.gz KWYMWRMATHBXHD-IPPBACCNSA-N 0 2 683.546 6.876 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000408949814 1071359389 /nfs/dbraw/zinc/35/93/89/1071359389.db2.gz IZRINIRCCBUWGX-VTNSRFBWSA-N 0 2 637.176 7.790 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000408956775 1071375727 /nfs/dbraw/zinc/37/57/27/1071375727.db2.gz YKHFGERWVVNDEJ-DPNNOFEESA-N 0 2 616.758 7.445 40 30 KKEBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000408956476 1071378143 /nfs/dbraw/zinc/37/81/43/1071378143.db2.gz XFEXNJPDCFFVCN-VFLNYLIXSA-N 0 2 666.572 7.043 40 30 KKEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1I ZINC000408954547 1071389933 /nfs/dbraw/zinc/38/99/33/1071389933.db2.gz RIJMDIFNZKHJEI-ZMOGYAJESA-N 0 2 606.460 5.437 40 30 KKEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1I ZINC000408953166 1071398306 /nfs/dbraw/zinc/39/83/06/1071398306.db2.gz OXIIKWSJTLDCEW-ZMOGYAJESA-N 0 2 608.476 5.990 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000408986755 1071488793 /nfs/dbraw/zinc/48/87/93/1071488793.db2.gz DJRMSQCDIULHJT-IMRQLAEWSA-N 0 2 524.617 5.930 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000408985174 1071501107 /nfs/dbraw/zinc/50/11/07/1071501107.db2.gz ACDLZWNNRXSPIQ-MYYYXRDXSA-N 0 2 579.480 6.928 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408983136 1071518969 /nfs/dbraw/zinc/51/89/69/1071518969.db2.gz KUZYOTXCULQRBS-HAHDFKILSA-N 0 2 563.423 6.125 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408983353 1071519017 /nfs/dbraw/zinc/51/90/17/1071519017.db2.gz LOBXBVUHDJJSMV-UQQQWYQISA-N 0 2 511.534 5.131 40 30 KKEBLN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c(O)c(Br)c1O ZINC000408720474 1071543462 /nfs/dbraw/zinc/54/34/62/1071543462.db2.gz QNVZGNRUGFYCGZ-UHFFFAOYSA-N 0 2 540.248 6.023 40 30 KKEBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)[C@H]1C=CC=C(OS(=O)(=O)c2ccccc2)C1 ZINC000408736868 1071553973 /nfs/dbraw/zinc/55/39/73/1071553973.db2.gz AGBUWCACRFGXGU-DEOSSOPVSA-N 0 2 594.693 6.083 40 30 KKEBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)[C@H]1C=CC=C[C@H]1OS(=O)(=O)c1ccccc1 ZINC000408736907 1071554454 /nfs/dbraw/zinc/55/44/54/1071554454.db2.gz CLYWVOZQHPKRBI-WUFINQPMSA-N 0 2 594.693 5.734 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408991862 1071578141 /nfs/dbraw/zinc/57/81/41/1071578141.db2.gz RGVRHKUZNXJHPD-IWIPYMOSSA-N 0 2 590.430 5.894 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OCc1ccc(I)cc1 ZINC000408988167 1071607265 /nfs/dbraw/zinc/60/72/65/1071607265.db2.gz HHZRLJCMWIXNGU-QRVIBDJDSA-N 0 2 642.877 6.236 40 30 KKEBLN Cc1cc(N2C(=O)NC(=O)C(=Cc3cn(Cc4ccccc4C#N)c4ccccc34)C2=O)ccc1Br ZINC000408756216 1071639915 /nfs/dbraw/zinc/63/99/15/1071639915.db2.gz OPDSQEVGWAHYAJ-YDZHTSKRSA-N 0 2 539.389 5.299 40 30 KKEBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000408753527 1071657507 /nfs/dbraw/zinc/65/75/07/1071657507.db2.gz ALZMXZNCWXQPKO-SRZZPIQSSA-N 0 2 686.300 5.878 40 30 KKEBLN O=C1NC(=Nc2cc(Cl)ccc2Cl)S/C1=C/c1cc(Br)c(O)c(Br)c1 ZINC000408749771 1071682254 /nfs/dbraw/zinc/68/22/54/1071682254.db2.gz TZIRVEUNWKVDCM-WLRTZDKTSA-N 0 2 523.033 6.116 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OC)c1OCc1ccccc1C#N ZINC000408760378 1071696872 /nfs/dbraw/zinc/69/68/72/1071696872.db2.gz XPOAABJRLGTIGI-ZVHZXABRSA-N 0 2 586.442 5.612 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408759867 1071699929 /nfs/dbraw/zinc/69/99/29/1071699929.db2.gz NCUIXTJLJLGMHW-FYJGNVAPSA-N 0 2 644.747 7.147 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408759439 1071701510 /nfs/dbraw/zinc/70/15/10/1071701510.db2.gz FATQLZGGTBKBDM-HZHRSRAPSA-N 0 2 576.403 5.640 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OCC)c1OCc1ccc2c(c1)OCO2 ZINC000408758553 1071705112 /nfs/dbraw/zinc/70/51/12/1071705112.db2.gz MKHWHTVCHNFINK-YDZHTSKRSA-N 0 2 619.468 5.859 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccccc1C#N ZINC000408758021 1071707730 /nfs/dbraw/zinc/70/77/30/1071707730.db2.gz FSHYORXBZQFSMO-BUVRLJJBSA-N 0 2 556.416 5.603 40 30 KKEBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000408758011 1071707824 /nfs/dbraw/zinc/70/78/24/1071707824.db2.gz FPYAFXWBXWZZDN-SRZZPIQSSA-N 0 2 594.849 5.927 40 30 KKEBLN C=CCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OCC ZINC000408764529 1071728353 /nfs/dbraw/zinc/72/83/53/1071728353.db2.gz UMBFYHDEVKCFKA-MHWRWJLKSA-N 0 2 564.230 5.150 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OCC)c1OCc1cccc(C)c1 ZINC000408764218 1071729597 /nfs/dbraw/zinc/72/95/97/1071729597.db2.gz QSOUOOLJWLSWGG-PCLIKHOPSA-N 0 2 589.486 6.439 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000408763701 1071730601 /nfs/dbraw/zinc/73/06/01/1071730601.db2.gz JOPKYKUGPIGBLV-HYARGMPZSA-N 0 2 595.877 6.393 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408767309 1071741186 /nfs/dbraw/zinc/74/11/86/1071741186.db2.gz ZCANPGAJRAKAOG-SRZZPIQSSA-N 0 2 679.192 7.801 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408777084 1071747122 /nfs/dbraw/zinc/74/71/22/1071747122.db2.gz UXCKQTSUYJGMIK-LPYMAVHISA-N 0 2 596.821 5.985 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000408775488 1071755802 /nfs/dbraw/zinc/75/58/02/1071755802.db2.gz HQPBOBAYPSUFHE-WGOQTCKBSA-N 0 2 545.035 6.329 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408772264 1071775749 /nfs/dbraw/zinc/77/57/49/1071775749.db2.gz FYKFNBHMBQWIKW-WPWMEQJKSA-N 0 2 581.466 6.885 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408771648 1071779024 /nfs/dbraw/zinc/77/90/24/1071779024.db2.gz JXPSZMDLLASDRH-WSDLNYQXSA-N 0 2 614.323 7.347 40 30 KKEBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCc4ccccc4C#N)c(I)c3)C2=O)c1 ZINC000408781604 1071816751 /nfs/dbraw/zinc/81/67/51/1071816751.db2.gz CEZBRRLIJFPFPP-UFFVCSGVSA-N 0 2 656.274 5.788 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408779506 1071828795 /nfs/dbraw/zinc/82/87/95/1071828795.db2.gz FVMPSSLEYAXASO-HYARGMPZSA-N 0 2 521.400 6.276 40 30 KKEBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCc4ccccc4C#N)c(Br)c3)C2=O)c1 ZINC000408779412 1071830888 /nfs/dbraw/zinc/83/08/88/1071830888.db2.gz DRMVYVJGFPTGFC-UFFVCSGVSA-N 0 2 609.274 5.946 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000408777334 1071844256 /nfs/dbraw/zinc/84/42/56/1071844256.db2.gz YTQZDXAEIBCWLN-PCLIKHOPSA-N 0 2 531.008 6.021 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OCc1ccc(I)cc1 ZINC000408777363 1071844782 /nfs/dbraw/zinc/84/47/82/1071844782.db2.gz ZECBNMIWCRTWJA-BUVRLJJBSA-N 0 2 642.877 6.317 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OCc1ccccc1F ZINC000408785750 1071855105 /nfs/dbraw/zinc/85/51/05/1071855105.db2.gz BMLCHVROMRMRFK-HYARGMPZSA-N 0 2 520.944 5.462 40 30 KKEBLN CN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)c(O)c(Br)c2)C2=C1CC(C)(C)CC2=O ZINC000409040874 1071886406 /nfs/dbraw/zinc/88/64/06/1071886406.db2.gz UYWCUHCAFSHRRJ-UHFFFAOYSA-N 0 2 537.292 6.233 40 30 KKEBLN C=CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O ZINC000409040196 1071893125 /nfs/dbraw/zinc/89/31/25/1071893125.db2.gz FWAWFSXWDSRBPA-OVCLIPMQSA-N 0 2 554.622 5.405 40 30 KKEBLN CCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)c(O)c(Br)c2)C2=C1CC(C)(C)CC2=O ZINC000409039753 1071897143 /nfs/dbraw/zinc/89/71/43/1071897143.db2.gz SAAPWVNNXDODRX-UHFFFAOYSA-N 0 2 551.319 6.623 40 30 KKEBLN CC1(C)CC(=O)C2=C(C1)N(CCc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)c(O)c(Cl)c1 ZINC000409038465 1071906805 /nfs/dbraw/zinc/90/68/05/1071906805.db2.gz VMRZMZRCYDTZIB-UHFFFAOYSA-N 0 2 538.515 7.627 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409066403 1071994717 /nfs/dbraw/zinc/99/47/17/1071994717.db2.gz AOOLIQPKALEZQK-OEAKJJBVSA-N 0 2 518.953 5.028 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409066417 1071994727 /nfs/dbraw/zinc/99/47/27/1071994727.db2.gz NANYGCCMYQMVKM-MFKUBSTISA-N 0 2 541.560 5.276 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409066225 1072003109 /nfs/dbraw/zinc/00/31/09/1072003109.db2.gz MKMPZVRDJGXPDK-XSFVSMFZSA-N 0 2 587.437 5.165 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000409065638 1072007239 /nfs/dbraw/zinc/00/72/39/1072007239.db2.gz JWSOPRMHKHNRLW-TWKHWXDSSA-N 0 2 576.649 6.611 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000409064759 1072012271 /nfs/dbraw/zinc/01/22/71/1072012271.db2.gz FFGXBUCGZIOKQK-ZVHZXABRSA-N 0 2 534.971 5.852 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409064036 1072016974 /nfs/dbraw/zinc/01/69/74/1072016974.db2.gz BHNBJHFQCBFRFD-YZSQISJMSA-N 0 2 571.586 5.366 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409063404 1072021584 /nfs/dbraw/zinc/02/15/84/1072021584.db2.gz BGJIDTZCQQNVKB-HYARGMPZSA-N 0 2 561.978 5.539 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409073900 1072072271 /nfs/dbraw/zinc/07/22/71/1072072271.db2.gz NXWQKKJHEQQZNH-OEAKJJBVSA-N 0 2 581.046 5.128 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000409073082 1072077150 /nfs/dbraw/zinc/07/71/50/1072077150.db2.gz UUVJBZAOWXZYHR-HYARGMPZSA-N 0 2 534.971 5.770 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409072844 1072079934 /nfs/dbraw/zinc/07/99/34/1072079934.db2.gz LJPXQMHWYDFZDY-BUVRLJJBSA-N 0 2 595.877 6.475 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000409071881 1072087403 /nfs/dbraw/zinc/08/74/03/1072087403.db2.gz QIOGOAPZUSLRPI-RCCKNPSSSA-N 0 2 534.971 5.852 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000409071579 1072089033 /nfs/dbraw/zinc/08/90/33/1072089033.db2.gz HIQRVDWTVHNVIQ-HZHRSRAPSA-N 0 2 531.008 5.939 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000409071338 1072089118 /nfs/dbraw/zinc/08/91/18/1072089118.db2.gz JJZGXLLHIREUIR-CJLVFECKSA-N 0 2 516.981 5.713 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409071050 1072091280 /nfs/dbraw/zinc/09/12/80/1072091280.db2.gz IEGXQJGHMOWITC-YDZHTSKRSA-N 0 2 547.951 5.231 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000409070246 1072097181 /nfs/dbraw/zinc/09/71/81/1072097181.db2.gz NPSBWBZMKNTMKF-UDWIEESQSA-N 0 2 571.844 6.629 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409069511 1072103129 /nfs/dbraw/zinc/10/31/29/1072103129.db2.gz DETNAOCTKYIGJE-RCCKNPSSSA-N 0 2 601.464 5.555 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409068364 1072112711 /nfs/dbraw/zinc/11/27/11/1072112711.db2.gz INAPAQQYQMTKSQ-YDZHTSKRSA-N 0 2 537.399 5.976 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409067608 1072116961 /nfs/dbraw/zinc/11/69/61/1072116961.db2.gz GFBVMQPLAYTRLX-KGENOOAVSA-N 0 2 601.464 5.473 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409080385 1072122938 /nfs/dbraw/zinc/12/29/38/1072122938.db2.gz NMNWGRMBKSWVSM-MTDXEUNCSA-N 0 2 664.627 6.668 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409079755 1072131756 /nfs/dbraw/zinc/13/17/56/1072131756.db2.gz MEGCLXUNSQFORW-CIAFOILYSA-N 0 2 592.948 5.742 40 30 KKEBLN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O)c(Br)c1 ZINC000409310735 1072180644 /nfs/dbraw/zinc/18/06/44/1072180644.db2.gz BOPRZGHLCDMXBI-JTQLQIEISA-N 0 2 558.068 5.785 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409083207 1072202913 /nfs/dbraw/zinc/20/29/13/1072202913.db2.gz VBFDSNNGWTZMKL-FYJGNVAPSA-N 0 2 597.502 5.905 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409089203 1072291649 /nfs/dbraw/zinc/29/16/49/1072291649.db2.gz IAVSAGQAFIUTBD-WPWMEQJKSA-N 0 2 650.600 6.278 40 30 KKEBLN CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409336575 1072331178 /nfs/dbraw/zinc/33/11/78/1072331178.db2.gz PTRLPPAWVCVFFS-JXMVDPOESA-N 0 2 510.597 5.404 40 30 KKEBLN CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)cc(I)c1OCc1ccc(Br)cc1 ZINC000409335635 1072337093 /nfs/dbraw/zinc/33/70/93/1072337093.db2.gz KZGMFDFUAPEINJ-BCNTYESTSA-N 0 2 670.392 6.863 40 30 KKEBLN CCc1nnc(C2=C(O)C(=Cc3cc(OC)c(OCc4ccccc4)cc3Br)SC2=N)s1 ZINC000409337434 1072496172 /nfs/dbraw/zinc/49/61/72/1072496172.db2.gz UPMGJCVDFYCJDI-GHNUIPLLSA-N 0 2 530.469 5.868 40 30 KKEBLN CCc1nnc(C2=C(O)C(=Cc3cc(OC)c(OCc4ccccc4)cc3Br)SC2=N)s1 ZINC000409337431 1072496214 /nfs/dbraw/zinc/49/62/14/1072496214.db2.gz UPMGJCVDFYCJDI-FJFHHJEGSA-N 0 2 530.469 5.868 40 30 KKEBLN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1ccccc1C#N ZINC000409400489 1072745627 /nfs/dbraw/zinc/74/56/27/1072745627.db2.gz RVWBQRZKNKHQSW-ODLFYWEKSA-N 0 2 538.785 5.023 40 30 KKEBLN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1ccccc1C#N ZINC000409400481 1072745719 /nfs/dbraw/zinc/74/57/19/1072745719.db2.gz RTWJQDFLPJDHRD-NDENLUEZSA-N 0 2 597.263 5.522 40 30 KKEBLN N#Cc1ccccc1COc1c(Br)cc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000409401478 1072781050 /nfs/dbraw/zinc/78/10/50/1072781050.db2.gz YQIOTUOWWXINLX-JAIQZWGSSA-N 0 2 508.759 5.015 40 30 KKEBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc(OCc4ccccc4C#N)cc3)c2C)C1=O ZINC000409227105 1072971145 /nfs/dbraw/zinc/97/11/45/1072971145.db2.gz OWQGCJXGVYSUGQ-MTDXEUNCSA-N 0 2 560.610 5.610 40 30 KKEBLN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O)c(Br)c1 ZINC001531326575 1073105039 /nfs/dbraw/zinc/10/50/39/1073105039.db2.gz IHOTVAQCQFWHAG-AUEPDCJTSA-N 0 2 558.068 5.614 40 30 KKEBLN O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)C(=NO)c1cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc1-2 ZINC000000843838 551547755 /nfs/dbraw/zinc/54/77/55/551547755.db2.gz BEYCXMFNXYGUFY-UHFFFAOYSA-N 0 2 574.467 5.802 40 30 KKEBLN O=C(Nc1cccc(/N=C/c2cc(Br)c(O)c(Br)c2O)c1)c1ccc(F)cc1 ZINC000001436369 551671227 /nfs/dbraw/zinc/67/12/27/551671227.db2.gz AQMQXSYAWQRJQJ-YSURURNPSA-N 0 2 508.141 5.765 40 30 KKEBLN COC(=O)c1c2c(sc1NC(=O)C[C@@H]1S/C(=N/c3ccccc3)N(c3ccccc3)C1=O)CCCC2 ZINC000001793168 551702227 /nfs/dbraw/zinc/70/22/27/551702227.db2.gz BJYWUQQZKAREHD-CUDYFHFOSA-N 0 2 519.648 5.578 40 30 KKEBLN N#Cc1c(/N=C/c2cc(Br)cc(Br)c2O)oc(-c2ccccc2)c1-c1ccccc1 ZINC000003074446 552285350 /nfs/dbraw/zinc/28/53/50/552285350.db2.gz VWCCGOUAFPICFI-CCVNUDIWSA-N 0 2 522.196 7.466 40 30 KKEBLN COc1cc(/C=N/c2ccc(O)c(-c3nc4ccccc4o3)c2)c(Br)c(Br)c1O ZINC000003139206 552294212 /nfs/dbraw/zinc/29/42/12/552294212.db2.gz MBLLRFAVWUGQJA-YSURURNPSA-N 0 2 518.161 6.190 40 30 KKEBLN Cc1cc(C)cc(/N=C2/SC(CC(=O)Nc3ccc(Br)cc3)C(=O)N2C[C@H]2CCCO2)c1 ZINC000003292021 552340993 /nfs/dbraw/zinc/34/09/93/552340993.db2.gz FKHCYKOGOVCWQO-XXGHUFLESA-N 0 2 516.461 5.205 40 30 KKEBLN Cc1cc(C)cc(/N=C2/S[C@@H](CC(=O)Nc3ccc(Br)cc3)C(=O)N2C[C@H]2CCCO2)c1 ZINC000003292021 552340994 /nfs/dbraw/zinc/34/09/94/552340994.db2.gz FKHCYKOGOVCWQO-XXGHUFLESA-N 0 2 516.461 5.205 40 30 KKEBLN Cc1ccc(C)c(/N=C2/SC(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2Cc2ccc3c(c2)OCO3)c1 ZINC000003316287 552353866 /nfs/dbraw/zinc/35/38/66/552353866.db2.gz DOGLEYAQTKALQV-NZCOHZFRSA-N 0 2 590.916 7.153 40 30 KKEBLN Cc1ccc(C)c(/N=C2/S[C@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2Cc2ccc3c(c2)OCO3)c1 ZINC000003316287 552353869 /nfs/dbraw/zinc/35/38/69/552353869.db2.gz DOGLEYAQTKALQV-NZCOHZFRSA-N 0 2 590.916 7.153 40 30 KKEBLN CC(=O)c1ccc(N=C2SC(CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2[C@@H]2CCCc3ccccc32)cc1 ZINC000003364014 552372436 /nfs/dbraw/zinc/37/24/36/552372436.db2.gz PMYHKEOYDQNLDS-VFGQBHDJSA-N 0 2 539.657 6.130 40 30 KKEBLN CC(=O)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2[C@@H]2CCCc3ccccc32)cc1 ZINC000003364014 552372440 /nfs/dbraw/zinc/37/24/40/552372440.db2.gz PMYHKEOYDQNLDS-VFGQBHDJSA-N 0 2 539.657 6.130 40 30 KKEBLN C=CCc1cc([N+](=O)[O-])cc(/C=N/c2sc3c(c2C(=O)OCC)CC[N@H+](Cc2ccccc2)C3)c1[O-] ZINC000011613941 553339256 /nfs/dbraw/zinc/33/92/56/553339256.db2.gz PFYMPXPHFLMRNK-RWPZCVJISA-N 0 2 505.596 5.576 40 30 KKEBLN C=CCc1cc([N+](=O)[O-])cc(/C=N/c2sc3c(c2C(=O)OCC)CC[N@@H+](Cc2ccccc2)C3)c1[O-] ZINC000011613941 553339258 /nfs/dbraw/zinc/33/92/58/553339258.db2.gz PFYMPXPHFLMRNK-RWPZCVJISA-N 0 2 505.596 5.576 40 30 KKEBLN CCOc1ccc(/N=C2\SC(CC(=O)Nc3cccc4ccccc43)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000012616430 553402719 /nfs/dbraw/zinc/40/27/19/553402719.db2.gz CLBCQJMOECOEBO-KTAAOAKCSA-N 0 2 503.624 5.378 40 30 KKEBLN CCOc1ccc(/N=C2\S[C@H](CC(=O)Nc3cccc4ccccc43)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000012616430 553402721 /nfs/dbraw/zinc/40/27/21/553402721.db2.gz CLBCQJMOECOEBO-KTAAOAKCSA-N 0 2 503.624 5.378 40 30 KKEBLN CCOc1ccc(/N=C2\SC(CC(=O)Nc3cccc4ccccc43)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000012616426 553402734 /nfs/dbraw/zinc/40/27/34/553402734.db2.gz CLBCQJMOECOEBO-FNLLRHECSA-N 0 2 503.624 5.378 40 30 KKEBLN CCOc1ccc(/N=C2\S[C@@H](CC(=O)Nc3cccc4ccccc43)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000012616426 553402736 /nfs/dbraw/zinc/40/27/36/553402736.db2.gz CLBCQJMOECOEBO-FNLLRHECSA-N 0 2 503.624 5.378 40 30 KKEBLN COc1ccc(OC)c(NC(=O)CC2S/C(=N\c3cc(C)cc(C)c3)N(CCC3=CCCCC3)C2=O)c1 ZINC000015911076 553540852 /nfs/dbraw/zinc/54/08/52/553540852.db2.gz VOXKZHQWOADZTN-WPLMXXOSSA-N 0 2 521.683 6.171 40 30 KKEBLN COc1ccc(OC)c(NC(=O)C[C@@H]2S/C(=N\c3cc(C)cc(C)c3)N(CCC3=CCCCC3)C2=O)c1 ZINC000015911076 553540854 /nfs/dbraw/zinc/54/08/54/553540854.db2.gz VOXKZHQWOADZTN-WPLMXXOSSA-N 0 2 521.683 6.171 40 30 KKEBLN O=C(CC1S/C(=N/c2ccc(OC(F)F)cc2)N([C@H]2CCCc3ccccc32)C1=O)Nc1ccccc1 ZINC000015911284 553541046 /nfs/dbraw/zinc/54/10/46/553541046.db2.gz GWCXNJWXRCEVQI-KQSQWDDGSA-N 0 2 521.589 6.326 40 30 KKEBLN O=C(C[C@H]1S/C(=N/c2ccc(OC(F)F)cc2)N([C@H]2CCCc3ccccc32)C1=O)Nc1ccccc1 ZINC000015911284 553541051 /nfs/dbraw/zinc/54/10/51/553541051.db2.gz GWCXNJWXRCEVQI-KQSQWDDGSA-N 0 2 521.589 6.326 40 30 KKEBLN Cc1ccc(/N=C2\SC(CC(=O)Nc3ccc(Br)cc3)C(=O)N2C[C@@H]2CCCO2)cc1C ZINC000015912642 553541708 /nfs/dbraw/zinc/54/17/08/553541708.db2.gz WKCPRQQFUIUTHF-DNGLHTMXSA-N 0 2 516.461 5.205 40 30 KKEBLN Cc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(Br)cc3)C(=O)N2C[C@@H]2CCCO2)cc1C ZINC000015912642 553541710 /nfs/dbraw/zinc/54/17/10/553541710.db2.gz WKCPRQQFUIUTHF-DNGLHTMXSA-N 0 2 516.461 5.205 40 30 KKEBLN Cc1ccc(/N=C2/SC(CC(=O)Nc3ccc(Br)cc3)C(=O)N2C[C@H]2CCCO2)cc1C ZINC000015912647 553541714 /nfs/dbraw/zinc/54/17/14/553541714.db2.gz WKCPRQQFUIUTHF-CUASXCPESA-N 0 2 516.461 5.205 40 30 KKEBLN Cc1ccc(/N=C2/S[C@H](CC(=O)Nc3ccc(Br)cc3)C(=O)N2C[C@H]2CCCO2)cc1C ZINC000015912647 553541718 /nfs/dbraw/zinc/54/17/18/553541718.db2.gz WKCPRQQFUIUTHF-CUASXCPESA-N 0 2 516.461 5.205 40 30 KKEBLN O=C(CC1S/C(=N/N=C/c2c3ccccc3[nH]c2-c2ccccc2)NC1=O)Nc1ccc(Cl)cc1 ZINC000016713204 553575167 /nfs/dbraw/zinc/57/51/67/553575167.db2.gz JLPPLDYXZGYFSQ-SQEMJAKJSA-N 0 2 501.999 5.439 40 30 KKEBLN O=C(C[C@@H]1S/C(=N/N=C/c2c3ccccc3[nH]c2-c2ccccc2)NC1=O)Nc1ccc(Cl)cc1 ZINC000016713204 553575169 /nfs/dbraw/zinc/57/51/69/553575169.db2.gz JLPPLDYXZGYFSQ-SQEMJAKJSA-N 0 2 501.999 5.439 40 30 KKEBLN COc1ccc(NS(=O)(=O)c2ccc(/N=C/c3c4ccccc4nc4cc(Cl)ccc43)cc2)nn1 ZINC000017175421 553589896 /nfs/dbraw/zinc/58/98/96/553589896.db2.gz DHCJMPOIMWQZIU-JFLMPSFJSA-N 0 2 503.971 5.391 40 30 KKEBLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC(C)c1ccc(Cl)c(Cl)c1 ZINC000033624842 553964922 /nfs/dbraw/zinc/96/49/22/553964922.db2.gz VFHWUASUOXYMCO-CFRMEGHHSA-N 0 2 509.371 5.547 40 30 KKEBLN CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1C#N ZINC000033649313 553966026 /nfs/dbraw/zinc/96/60/26/553966026.db2.gz OPDVVOGVILDGDY-LPYMAVHISA-N 0 2 501.926 5.696 40 30 KKEBLN CN1c2ccccc2C(C)(C)C1C=CN=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000097980702 553990590 /nfs/dbraw/zinc/99/05/90/553990590.db2.gz MSGARHUDLMEHOG-ZVYJFFFOSA-N 0 2 526.018 5.758 40 30 KKEBLN CC(=O)c1ccc(NC(=O)CC2SC(=Nc3ccc(C)cc3C)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000097981999 553998911 /nfs/dbraw/zinc/99/89/11/553998911.db2.gz JXVYDFDPZSONGO-LWPYMBBZSA-N 0 2 529.618 5.395 40 30 KKEBLN CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000097981999 553998914 /nfs/dbraw/zinc/99/89/14/553998914.db2.gz JXVYDFDPZSONGO-LWPYMBBZSA-N 0 2 529.618 5.395 40 30 KKEBLN Cc1cc(C)cc(/N=C2/SC(CC(=O)Nc3ccc(I)cc3)C(=O)N2C2CCCC2)c1 ZINC000097982026 553999170 /nfs/dbraw/zinc/99/91/70/553999170.db2.gz PUONHWYGYMEQJM-BPMVYWJCSA-N 0 2 547.462 5.811 40 30 KKEBLN Cc1cc(C)cc(/N=C2/S[C@@H](CC(=O)Nc3ccc(I)cc3)C(=O)N2C2CCCC2)c1 ZINC000097982026 553999175 /nfs/dbraw/zinc/99/91/75/553999175.db2.gz PUONHWYGYMEQJM-BPMVYWJCSA-N 0 2 547.462 5.811 40 30 KKEBLN Cc1ccc(NC(=O)CC2S/C(=N\c3ccc(OC(F)F)cc3)N([C@H](C)CCC(C)C)C2=O)c([N+](=O)[O-])c1 ZINC000097982040 553999248 /nfs/dbraw/zinc/99/92/48/553999248.db2.gz KNXVOFOQNUXTSD-NQIWOSQQSA-N 0 2 548.612 6.290 40 30 KKEBLN Cc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccc(OC(F)F)cc3)N([C@H](C)CCC(C)C)C2=O)c([N+](=O)[O-])c1 ZINC000097982040 553999252 /nfs/dbraw/zinc/99/92/52/553999252.db2.gz KNXVOFOQNUXTSD-NQIWOSQQSA-N 0 2 548.612 6.290 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N/c3ccc(Cl)cc3)N(Cc3ccccc3Cl)C2=O)c([N+](=O)[O-])c1 ZINC000097982061 553999513 /nfs/dbraw/zinc/99/95/13/553999513.db2.gz JCSQCJGBWSMKNJ-FPCFPJRVSA-N 0 2 559.431 6.071 40 30 KKEBLN COc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(Cl)cc3)N(Cc3ccccc3Cl)C2=O)c([N+](=O)[O-])c1 ZINC000097982061 553999518 /nfs/dbraw/zinc/99/95/18/553999518.db2.gz JCSQCJGBWSMKNJ-FPCFPJRVSA-N 0 2 559.431 6.071 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N/c3cccc4ccccc43)N(CCC3=CCCCC3)C2=O)cc1OC ZINC000097982115 553999968 /nfs/dbraw/zinc/99/99/68/553999968.db2.gz YKIUHBUGRIRVSI-MFQHLKQYSA-N 0 2 543.689 6.708 40 30 KKEBLN COc1ccc(NC(=O)C[C@@H]2S/C(=N/c3cccc4ccccc43)N(CCC3=CCCCC3)C2=O)cc1OC ZINC000097982115 553999971 /nfs/dbraw/zinc/99/99/71/553999971.db2.gz YKIUHBUGRIRVSI-MFQHLKQYSA-N 0 2 543.689 6.708 40 30 KKEBLN Cc1cccc(C)c1/N=C1/SC(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C(=O)N1C[C@H]1CCCO1 ZINC000097982118 554000027 /nfs/dbraw/zinc/00/00/27/554000027.db2.gz FEUDYXFFZJZTPN-ANXRNIKFSA-N 0 2 540.007 6.115 40 30 KKEBLN Cc1cccc(C)c1/N=C1/S[C@@H](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C(=O)N1C[C@H]1CCCO1 ZINC000097982118 554000031 /nfs/dbraw/zinc/00/00/31/554000031.db2.gz FEUDYXFFZJZTPN-ANXRNIKFSA-N 0 2 540.007 6.115 40 30 KKEBLN CCCCCCCCCCCCCCCCSc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000098001438 554052527 /nfs/dbraw/zinc/05/25/27/554052527.db2.gz LUCDJSKNDSDTKH-UHFFFAOYSA-N 0 2 534.788 8.969 40 30 KKEBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1ccc(-c2ccc(N=Cc3c(C)[nH]n(-c4ccccc4)c3=O)cc2)cc1 ZINC000100033890 554187718 /nfs/dbraw/zinc/18/77/18/554187718.db2.gz HEWZSJKOSTUGKN-JTOYJDTJSA-N 0 2 552.638 7.254 40 30 KKEBLN Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3cc(Br)cc(Br)c3O)c2-c2ccccc2)cc1 ZINC000100136927 554227037 /nfs/dbraw/zinc/22/70/37/554227037.db2.gz YBBZLXAELZGGNN-HNSNBQBZSA-N 0 2 586.327 9.101 40 30 KKEBLN O=C(CSc1nc2ccc(N=Cc3cc(Br)c(O)c(Br)c3)cc2s1)c1ccc(F)cc1 ZINC000100454740 554395619 /nfs/dbraw/zinc/39/56/19/554395619.db2.gz PPSFJNIOHCTTEJ-NSKAYECMSA-N 0 2 580.298 7.392 40 30 KKEBLN O=C(CSc1nc2ccc(/N=C/c3ccc(O)c([N+](=O)[O-])c3)cc2s1)Nc1ccccc1[N+](=O)[O-] ZINC000059474786 554396774 /nfs/dbraw/zinc/39/67/74/554396774.db2.gz AXFFJTCZSUTKOF-FOKLQQMPSA-N 0 2 509.525 5.300 40 30 KKEBLN Cc1cc2nc(-c3cccc(/N=C/c4cc(Cc5ccccc5Cl)cc([N+](=O)[O-])c4O)c3O)oc2cc1C ZINC000100936355 554530488 /nfs/dbraw/zinc/53/04/88/554530488.db2.gz GTPPUUSDNILDOK-IBBHUPRXSA-N 0 2 527.964 7.426 40 30 KKEBLN Cc1ccc(/N=C2\S/C(=C\c3cc(Br)c(O)c(Br)c3O)C(=O)N2c2ccc(C)c(C)c2)cc1C ZINC000101018698 554561247 /nfs/dbraw/zinc/56/12/47/554561247.db2.gz BDVCIVYJGZQJDX-JZRXHDQVSA-N 0 2 602.348 7.665 40 30 KKEBLN O=C(CC1S/C(=N/N=C/C=C/c2ccccc2)N(Cc2ccco2)C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000101025429 554563556 /nfs/dbraw/zinc/56/35/56/554563556.db2.gz QKLMBSMJKSPHHB-HVENSBRASA-N 0 2 526.540 5.826 40 30 KKEBLN N#C[C@@H](C(N)=O)[C@@H](c1c(-c2ccccc2)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O)c1ccc(Br)cc1 ZINC000102071791 554873585 /nfs/dbraw/zinc/87/35/85/554873585.db2.gz PNWGDFJSFHZKND-YFNKSVMNSA-N 0 2 570.472 5.349 40 30 KKEBLN COc1ccc(/N=C2\SC(CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000102406476 554921140 /nfs/dbraw/zinc/92/11/40/554921140.db2.gz WDLTVULFAYMJTQ-PGWWVJEZSA-N 0 2 554.068 5.569 40 30 KKEBLN COc1ccc(/N=C2\S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000102406476 554921141 /nfs/dbraw/zinc/92/11/41/554921141.db2.gz WDLTVULFAYMJTQ-PGWWVJEZSA-N 0 2 554.068 5.569 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3ccc(C(=O)OCC)cc3)C(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000102407929 554922213 /nfs/dbraw/zinc/92/22/13/554922213.db2.gz MMLPDAWWKVGHHU-YYCIKHPBSA-N 0 2 594.089 5.854 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(C(=O)OCC)cc3)C(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000102407929 554922215 /nfs/dbraw/zinc/92/22/15/554922215.db2.gz MMLPDAWWKVGHHU-YYCIKHPBSA-N 0 2 594.089 5.854 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3cccc(C)c3)C(=O)N2CCc2ccc(F)cc2)cc1 ZINC000102407956 554922267 /nfs/dbraw/zinc/92/22/67/554922267.db2.gz SEVHIFATVILEIO-CALDVZBHSA-N 0 2 533.625 5.514 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@H](CC(=O)Nc3cccc(C)c3)C(=O)N2CCc2ccc(F)cc2)cc1 ZINC000102407956 554922270 /nfs/dbraw/zinc/92/22/70/554922270.db2.gz SEVHIFATVILEIO-CALDVZBHSA-N 0 2 533.625 5.514 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3ccc(C(=O)OCC)cc3)C(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000102407898 554922305 /nfs/dbraw/zinc/92/23/05/554922305.db2.gz ZPKQWFGCZHMLKA-KTLMTBOJSA-N 0 2 589.670 5.209 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@H](CC(=O)Nc3ccc(C(=O)OCC)cc3)C(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000102407898 554922307 /nfs/dbraw/zinc/92/23/07/554922307.db2.gz ZPKQWFGCZHMLKA-KTLMTBOJSA-N 0 2 589.670 5.209 40 30 KKEBLN O=C(CC1S/C(=N\c2ccc(Cl)cc2)N(Cc2ccc(F)cc2)C1=O)Nc1ccc(Br)cc1 ZINC000102408024 554922577 /nfs/dbraw/zinc/92/25/77/554922577.db2.gz LLMQZGNDHJPOCN-FTFNENMSSA-N 0 2 546.849 6.402 40 30 KKEBLN O=C(C[C@H]1S/C(=N\c2ccc(Cl)cc2)N(Cc2ccc(F)cc2)C1=O)Nc1ccc(Br)cc1 ZINC000102408024 554922578 /nfs/dbraw/zinc/92/25/78/554922578.db2.gz LLMQZGNDHJPOCN-FTFNENMSSA-N 0 2 546.849 6.402 40 30 KKEBLN CCCOc1ccc(NC(=O)CC2S/C(=N\c3ccc(Cl)cc3)N(CCNc3ccc([N+](=O)[O-])cn3)C2=O)cc1 ZINC000102408396 554922715 /nfs/dbraw/zinc/92/27/15/554922715.db2.gz LCYFLJFWDJOLAZ-VQCROAMASA-N 0 2 583.070 5.504 40 30 KKEBLN CCCOc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccc(Cl)cc3)N(CCNc3ccc([N+](=O)[O-])cn3)C2=O)cc1 ZINC000102408396 554922719 /nfs/dbraw/zinc/92/27/19/554922719.db2.gz LCYFLJFWDJOLAZ-VQCROAMASA-N 0 2 583.070 5.504 40 30 KKEBLN Cc1c(/N=C2\SC(CC(=O)Nc3ccc(F)cc3)C(=O)N2CC2CCCCC2)c(=O)n(-c2ccccc2)n1C ZINC000102928137 555153170 /nfs/dbraw/zinc/15/31/70/555153170.db2.gz JXQYTTHZNRCPGB-NKPIAXQISA-N 0 2 549.672 5.164 40 30 KKEBLN Cc1c(/N=C2\S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CC2CCCCC2)c(=O)n(-c2ccccc2)n1C ZINC000102928137 555153171 /nfs/dbraw/zinc/15/31/71/555153171.db2.gz JXQYTTHZNRCPGB-NKPIAXQISA-N 0 2 549.672 5.164 40 30 KKEBLN Cc1ccc(/N=C2/SC(CC(=O)Nc3ccc(Br)cc3)C(=O)N2C[C@@H]2CCCO2)cc1C ZINC000102961092 555176422 /nfs/dbraw/zinc/17/64/22/555176422.db2.gz WKCPRQQFUIUTHF-HTTLLRLISA-N 0 2 516.461 5.205 40 30 KKEBLN Cc1ccc(/N=C2/S[C@@H](CC(=O)Nc3ccc(Br)cc3)C(=O)N2C[C@@H]2CCCO2)cc1C ZINC000102961092 555176425 /nfs/dbraw/zinc/17/64/25/555176425.db2.gz WKCPRQQFUIUTHF-HTTLLRLISA-N 0 2 516.461 5.205 40 30 KKEBLN O=C(CC1S/C(=N\c2cccc3ccccc32)N(CCC2=CCCCC2)C1=O)Nc1cccc2ccccc21 ZINC000102961325 555176789 /nfs/dbraw/zinc/17/67/89/555176789.db2.gz FFMTVFXKJVZFLL-GFYZFDERSA-N 0 2 533.697 7.844 40 30 KKEBLN O=C(C[C@H]1S/C(=N\c2cccc3ccccc32)N(CCC2=CCCCC2)C1=O)Nc1cccc2ccccc21 ZINC000102961325 555176791 /nfs/dbraw/zinc/17/67/91/555176791.db2.gz FFMTVFXKJVZFLL-GFYZFDERSA-N 0 2 533.697 7.844 40 30 KKEBLN O=C(CC1S/C(=N\c2cccc3ccccc32)N(CCC2=CCCCC2)C1=O)Nc1cccc2ccccc21 ZINC000102961327 555176878 /nfs/dbraw/zinc/17/68/78/555176878.db2.gz FFMTVFXKJVZFLL-HJYNKWJXSA-N 0 2 533.697 7.844 40 30 KKEBLN O=C(C[C@@H]1S/C(=N\c2cccc3ccccc32)N(CCC2=CCCCC2)C1=O)Nc1cccc2ccccc21 ZINC000102961327 555176882 /nfs/dbraw/zinc/17/68/82/555176882.db2.gz FFMTVFXKJVZFLL-HJYNKWJXSA-N 0 2 533.697 7.844 40 30 KKEBLN CCOc1ccc(/N=C2\SC(CC(=O)Nc3ccccc3Br)C(=O)N2Cc2ccco2)cc1 ZINC000102961557 555177241 /nfs/dbraw/zinc/17/72/41/555177241.db2.gz FTIVCTTZRRJARV-TYGLDRHGSA-N 0 2 528.428 5.601 40 30 KKEBLN CCOc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccccc3Br)C(=O)N2Cc2ccco2)cc1 ZINC000102961557 555177242 /nfs/dbraw/zinc/17/72/42/555177242.db2.gz FTIVCTTZRRJARV-TYGLDRHGSA-N 0 2 528.428 5.601 40 30 KKEBLN CCOc1ccc(N=C2SC(CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000102961576 555177354 /nfs/dbraw/zinc/17/73/54/555177354.db2.gz SMQYXBRAPJTKSA-XDNZSQCXSA-N 0 2 545.617 5.177 40 30 KKEBLN CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000102961576 555177357 /nfs/dbraw/zinc/17/73/57/555177357.db2.gz SMQYXBRAPJTKSA-XDNZSQCXSA-N 0 2 545.617 5.177 40 30 KKEBLN COc1ccc(N=C2SC(CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000102961608 555177614 /nfs/dbraw/zinc/17/76/14/555177614.db2.gz LCDHALVKESFWQK-FKMACVBZSA-N 0 2 561.660 5.118 40 30 KKEBLN COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000102961608 555177617 /nfs/dbraw/zinc/17/76/17/555177617.db2.gz LCDHALVKESFWQK-FKMACVBZSA-N 0 2 561.660 5.118 40 30 KKEBLN COc1ccc(OC)c(NC(=O)CC2S/C(=N/c3cc(C)cc(C)c3)N(CCC3=CCCCC3)C2=O)c1 ZINC000102962025 555178028 /nfs/dbraw/zinc/17/80/28/555178028.db2.gz VOXKZHQWOADZTN-BDHSRLDBSA-N 0 2 521.683 6.171 40 30 KKEBLN COc1ccc(OC)c(NC(=O)C[C@@H]2S/C(=N/c3cc(C)cc(C)c3)N(CCC3=CCCCC3)C2=O)c1 ZINC000102962025 555178031 /nfs/dbraw/zinc/17/80/31/555178031.db2.gz VOXKZHQWOADZTN-BDHSRLDBSA-N 0 2 521.683 6.171 40 30 KKEBLN COc1ccc(OC)c(NC(=O)CC2S/C(=N\c3cc(C)ccc3C)N(Cc3ccc4c(c3)OCO4)C2=O)c1 ZINC000102962332 555178437 /nfs/dbraw/zinc/17/84/37/555178437.db2.gz HXQZAHKQQIWCBW-XDNZSQCXSA-N 0 2 547.633 5.210 40 30 KKEBLN COc1ccc(OC)c(NC(=O)C[C@H]2S/C(=N\c3cc(C)ccc3C)N(Cc3ccc4c(c3)OCO4)C2=O)c1 ZINC000102962332 555178439 /nfs/dbraw/zinc/17/84/39/555178439.db2.gz HXQZAHKQQIWCBW-XDNZSQCXSA-N 0 2 547.633 5.210 40 30 KKEBLN Cc1ccc(C)c(/N=C2/SC(CC(=O)Nc3c(C)cccc3C)C(=O)N2Cc2ccc3c(c2)OCO3)c1 ZINC000102962295 555178497 /nfs/dbraw/zinc/17/84/97/555178497.db2.gz WBGJCSVHAWSHQP-CHJUCYJUSA-N 0 2 515.635 5.809 40 30 KKEBLN Cc1ccc(C)c(/N=C2/S[C@H](CC(=O)Nc3c(C)cccc3C)C(=O)N2Cc2ccc3c(c2)OCO3)c1 ZINC000102962295 555178500 /nfs/dbraw/zinc/17/85/00/555178500.db2.gz WBGJCSVHAWSHQP-CHJUCYJUSA-N 0 2 515.635 5.809 40 30 KKEBLN CC(C)c1ccc(/N=C2/SC(CC(=O)Nc3cccc4ccccc43)C(=O)N2CCC2=CCCCC2)cc1 ZINC000102962464 555178693 /nfs/dbraw/zinc/17/86/93/555178693.db2.gz WDMTZXNAZGPGRZ-DCNXOXCLSA-N 0 2 525.718 7.814 40 30 KKEBLN CC(C)c1ccc(/N=C2/S[C@@H](CC(=O)Nc3cccc4ccccc43)C(=O)N2CCC2=CCCCC2)cc1 ZINC000102962464 555178695 /nfs/dbraw/zinc/17/86/95/555178695.db2.gz WDMTZXNAZGPGRZ-DCNXOXCLSA-N 0 2 525.718 7.814 40 30 KKEBLN COc1ccccc1NS(=O)(=O)c1ccc(N=NC(C)c2ccc3c(c2)Nc2ccccc2S3)c([N+](=O)[O-])c1 ZINC000102983910 555189688 /nfs/dbraw/zinc/18/96/88/555189688.db2.gz RQUDJYYYKRBHBS-STBIYBPSSA-N 0 2 561.645 6.449 40 30 KKEBLN CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCc4ccccc4C#N)c(Cl)c3)C2=O)c1 ZINC000103841891 571362350 /nfs/dbraw/zinc/36/23/50/571362350.db2.gz IESILVRBZMDIDH-SRZZPIQSSA-N 0 2 580.424 5.908 40 30 KKEBLN CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccccc4C#N)c(Br)c3)C2=O)c1 ZINC000103842974 571362679 /nfs/dbraw/zinc/36/26/79/571362679.db2.gz IXAIKUGORXFAIM-LPYMAVHISA-N 0 2 590.430 5.364 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(OCC)ccc3OCC)C2=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000103844693 571362962 /nfs/dbraw/zinc/36/29/62/571362962.db2.gz MGCXVWAPSKLLNJ-YZSQISJMSA-N 0 2 615.639 5.765 40 30 KKEBLN N#Cc1ccccc1COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 ZINC000103846528 571363397 /nfs/dbraw/zinc/36/33/97/571363397.db2.gz YCKWINLLJMVQQY-WCMJOSRZSA-N 0 2 557.650 6.271 40 30 KKEBLN N#Cc1ccccc1COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br ZINC000103849408 571364215 /nfs/dbraw/zinc/36/42/15/571364215.db2.gz UTBFXTQMCGVSMD-DJKKODMXSA-N 0 2 599.210 5.468 40 30 KKEBLN CCOC(=O)c1ccc(NC(=O)CC2S/C(=N\c3ccccc3F)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000105122691 571391621 /nfs/dbraw/zinc/39/16/21/571391621.db2.gz IJSIQXMMZCNXIT-VFPKNACXSA-N 0 2 579.650 5.223 40 30 KKEBLN CCOC(=O)c1ccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3F)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000105122691 571391622 /nfs/dbraw/zinc/39/16/22/571391622.db2.gz IJSIQXMMZCNXIT-VFPKNACXSA-N 0 2 579.650 5.223 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N/c3ccc(F)cc3)N([C@@H](C)CCC(C)C)C2=O)c([N+](=O)[O-])c1 ZINC000105525124 571407319 /nfs/dbraw/zinc/40/73/19/571407319.db2.gz AJOWCRSWERVZHS-MXGHJUMWSA-N 0 2 516.595 5.528 40 30 KKEBLN COc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(F)cc3)N([C@@H](C)CCC(C)C)C2=O)c([N+](=O)[O-])c1 ZINC000105525124 571407320 /nfs/dbraw/zinc/40/73/20/571407320.db2.gz AJOWCRSWERVZHS-MXGHJUMWSA-N 0 2 516.595 5.528 40 30 KKEBLN Oc1ccc(-c2nc3cc(/N=C/c4cc(Br)cc(Br)c4O)ccc3o2)cc1Br ZINC000109502513 571429289 /nfs/dbraw/zinc/42/92/89/571429289.db2.gz XWWYZNXZGBHQJB-PGGKNCGUSA-N 0 2 567.031 6.944 40 30 KKEBLN Oc1ccc(-c2nc3cc(/N=C/c4cc(Cl)cc(Br)c4O)ccc3o2)cc1Br ZINC000109502531 571429306 /nfs/dbraw/zinc/42/93/06/571429306.db2.gz WRFBRDVBIRYXHT-PGGKNCGUSA-N 0 2 522.580 6.835 40 30 KKEBLN CC(=O)c1ccc(N=C2SC(CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2[C@H]2CCCc3ccccc32)cc1 ZINC000111672046 571433424 /nfs/dbraw/zinc/43/34/24/571433424.db2.gz PMYHKEOYDQNLDS-LFWNTVHZSA-N 0 2 539.657 6.130 40 30 KKEBLN CC(=O)c1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2[C@H]2CCCc3ccccc32)cc1 ZINC000111672046 571433430 /nfs/dbraw/zinc/43/34/30/571433430.db2.gz PMYHKEOYDQNLDS-LFWNTVHZSA-N 0 2 539.657 6.130 40 30 KKEBLN Clc1ccc(C=NN=c2nc(NN=Cc3ccc(Cl)cc3Cl)[nH]c(N(c3ccccc3)c3ccccc3)n2)c(Cl)c1 ZINC000150349718 571461683 /nfs/dbraw/zinc/46/16/83/571461683.db2.gz GZPUUIVMTSLCMH-JZFGTTBJSA-N 0 2 622.347 8.847 40 30 KKEBLN Clc1ccc(CN=Nc2nc(N=NCc3ccc(Cl)cc3Cl)nc(N(c3ccccc3)c3ccccc3)n2)c(Cl)c1 ZINC000150349718 571461685 /nfs/dbraw/zinc/46/16/85/571461685.db2.gz GZPUUIVMTSLCMH-JZFGTTBJSA-N 0 2 622.347 8.847 40 30 KKEBLN CCCCCCCCCCCCCCCCCc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(c2c(C)[nH]n(-c3ccccc3)c2=O)C(=O)N(c2ccccc2)N=C1C ZINC000150382563 571467357 /nfs/dbraw/zinc/46/73/57/571467357.db2.gz AQPRQSHMCOYYFU-HMEZMJIUSA-N 0 2 743.009 10.715 40 30 KKEBLN COc1ccc(C(=O)/C=C\c2ccc(OCCSCCCCCCCCCCSCCOc3ccc(/C=C\C(=O)c4ccc(OC)cc4)cc3)cc2)cc1 ZINC000150441036 571498170 /nfs/dbraw/zinc/49/81/70/571498170.db2.gz OUMTYXXUWYLGOM-VHUXLRGGSA-N 0 2 767.066 11.541 40 30 KKEBLN COc1ccc(C(=O)/C=C/c2ccc(OCCCCCCCCCCOc3ccc(/C=C\C(=O)c4ccc(OC)c(OC)c4)cc3)cc2)c(OC)c1 ZINC000150441054 571498192 /nfs/dbraw/zinc/49/81/92/571498192.db2.gz VDLPOXWIQQDDGZ-JTXLREJOSA-N 0 2 706.876 10.092 40 30 KKEBLN O=[N+]([O-])c1ccc2c(c1)/C(=N\N=C1\c3cc([N+](=O)[O-])ccc3-c3c1cc([N+](=O)[O-])cc3[N+](=O)[O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2 ZINC000150441119 571498214 /nfs/dbraw/zinc/49/82/14/571498214.db2.gz DRNIVEDTEVAGKO-ZQZMJUSDSA-N 0 2 626.410 5.387 40 30 KKEBLN CCCCCCCCCCCCCCCCCC[C@@H]1CC(=O)N(c2ccc(Cl)c(Nc3[nH]n(-c4c(Cl)cc(Cl)cc4Cl)c(=O)c3N=Nc3ccc(O)cc3Cl)c2)C1=O ZINC000150560223 571520962 /nfs/dbraw/zinc/52/09/62/571520962.db2.gz MBZDNWOFYBFREC-MCUBOIGDSA-N 0 2 893.184 14.115 40 30 KKEBLN CCCCCCCCCCCCCCCCCC[C@H]1CC(=O)N(c2ccc(Cl)c(Nc3[nH]n(-c4c(Cl)cc(Cl)cc4Cl)c(=O)c3N=Nc3ccc(O)cc3Cl)c2)C1=O ZINC000150560229 571521121 /nfs/dbraw/zinc/52/11/21/571521121.db2.gz MBZDNWOFYBFREC-TVHGKYJDSA-N 0 2 893.184 14.115 40 30 KKEBLN CC1(C)CC[C@]2(C(=O)N3CCOCC3)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CCC(=NOC(=O)C[C@@H]6SC(=O)NC6=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000157544685 571529658 /nfs/dbraw/zinc/52/96/58/571529658.db2.gz WJRJONZDINDKQJ-TXBIEQMYSA-N 0 2 695.967 7.288 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000164326014 571545820 /nfs/dbraw/zinc/54/58/20/571545820.db2.gz FXJNVAFPJSNDRB-SRZZPIQSSA-N 0 2 687.284 5.756 40 30 KKEBLN CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(OCC)c(OCc4ccccc4C#N)cc3Br)C2=O)c1 ZINC000164340526 571546138 /nfs/dbraw/zinc/54/61/38/571546138.db2.gz AQRNEDGOMGGJGX-YDZHTSKRSA-N 0 2 634.483 5.762 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OCc1ccc(I)cc1 ZINC000164385758 571546828 /nfs/dbraw/zinc/54/68/28/571546828.db2.gz SBRMOPUHCUTCBE-BUVRLJJBSA-N 0 2 626.422 5.803 40 30 KKEBLN N#Cc1ccccc1COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1I ZINC000164377487 571546841 /nfs/dbraw/zinc/54/68/41/571546841.db2.gz HMAZFGCQGNVKFJ-DJKKODMXSA-N 0 2 693.210 5.152 40 30 KKEBLN N#Cc1ccccc1COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I ZINC000164454359 571548012 /nfs/dbraw/zinc/54/80/12/571548012.db2.gz MNFSBYOQCQHXDZ-RGVLZGJSSA-N 0 2 628.220 5.171 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC ZINC000408537185 572193803 /nfs/dbraw/zinc/19/38/03/572193803.db2.gz CNIYZMCYPWBJLX-UYRXBGFRSA-N 0 2 567.897 7.451 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000408537611 572194924 /nfs/dbraw/zinc/19/49/24/572194924.db2.gz GHSJUAXTLADLJZ-ZHZULCJRSA-N 0 2 519.425 6.408 40 30 KKEBLN CCCCCCCCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(C(=O)OC)cc2)C1=O ZINC000408537881 572196231 /nfs/dbraw/zinc/19/62/31/572196231.db2.gz HSTWZZSEIDWHLG-XLNRJJMWSA-N 0 2 557.441 5.641 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000408538902 572200091 /nfs/dbraw/zinc/20/00/91/572200091.db2.gz RBRCXARXOOKLCF-DEDYPNTBSA-N 0 2 533.452 6.716 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1OCC ZINC000408539094 572200435 /nfs/dbraw/zinc/20/04/35/572200435.db2.gz SPSVNTJQRXMVTP-CJLVFECKSA-N 0 2 529.033 6.153 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OCC ZINC000408539846 572203759 /nfs/dbraw/zinc/20/37/59/572203759.db2.gz ZLZBFDZBCSTMAB-KQWNVCNZSA-N 0 2 571.512 6.870 40 30 KKEBLN CCCCCCCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCCC)c(OCC)c3)C2=O)cc1 ZINC000408540460 572205789 /nfs/dbraw/zinc/20/57/89/572205789.db2.gz SCTLYIJRLXFCGR-LKUDQCMESA-N 0 2 522.642 6.280 40 30 KKEBLN O=C(/C(=C\c1cc(I)c(O)c(I)c1)C(=O)C(F)(F)F)c1cccs1 ZINC000408563592 572249601 /nfs/dbraw/zinc/24/96/01/572249601.db2.gz OZLFBPANGQQMBG-XBXARRHUSA-N 0 2 578.087 5.061 40 30 KKEBLN O=C(C1=C(O)C(=Cc2cc(I)c(O)c(I)c2)CCC1)C(F)(F)F ZINC000408564299 572250402 /nfs/dbraw/zinc/25/04/02/572250402.db2.gz YGSGKPPHYSSEGM-KXXDCUPXSA-N 0 2 550.052 5.112 40 30 KKEBLN CCOc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3(c4ccccc4NC3=O)N3CCC[C@@H]23)cc(Cl)c1OCc1ccccc1C#N ZINC000408566038 572253352 /nfs/dbraw/zinc/25/33/52/572253352.db2.gz MRHVQLUSKHWKPQ-GQEWQHDVSA-N 0 2 559.022 5.244 40 30 KKEBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(c4ccccc4NC3=O)N3CCC[C@@H]23)cc(Cl)c1OCc1ccccc1C#N ZINC000408566038 572253353 /nfs/dbraw/zinc/25/33/53/572253353.db2.gz MRHVQLUSKHWKPQ-GQEWQHDVSA-N 0 2 559.022 5.244 40 30 KKEBLN CC[C@H](C)c1ccc2oc(-c3ccc(N=Cc4cc(Cc5ccccc5Cl)cc([N+](=O)[O-])c4O)cc3)nc2c1 ZINC000254397564 572302532 /nfs/dbraw/zinc/30/25/32/572302532.db2.gz XFVXSKSZWRHOIJ-IBGZPJMESA-N 0 2 540.019 8.617 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000408779180 1069899903 /nfs/dbraw/zinc/89/99/03/1069899903.db2.gz BNIJVNLZERUGCK-WPWMEQJKSA-N 0 2 524.617 5.984 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000408781246 1069901571 /nfs/dbraw/zinc/90/15/71/1069901571.db2.gz BPHQFGOFDXYGCX-WGOQTCKBSA-N 0 2 528.580 5.815 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408782178 1069906850 /nfs/dbraw/zinc/90/68/50/1069906850.db2.gz IHKZMDDMDUOCNO-PCLIKHOPSA-N 0 2 545.433 6.040 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000408785158 1069913131 /nfs/dbraw/zinc/91/31/31/1069913131.db2.gz YGBCMPVUEAULQX-PCLIKHOPSA-N 0 2 514.553 5.507 40 30 KKEBLN C=CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OCC ZINC000408805212 1069952716 /nfs/dbraw/zinc/95/27/16/1069952716.db2.gz JQBVMCAUVXRODB-XNTDXEJSSA-N 0 2 519.779 5.041 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(OCC)ccc3OCC)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000408856756 1070066971 /nfs/dbraw/zinc/06/69/71/1070066971.db2.gz LBCMRTIRXQLPCM-YZSQISJMSA-N 0 2 605.087 6.510 40 30 KKEBLN C=CCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Br ZINC000408853442 1070070860 /nfs/dbraw/zinc/07/08/60/1070070860.db2.gz SKSSPOKWLRQOCT-KSEXSDGBSA-N 0 2 640.372 6.911 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408856035 1070075045 /nfs/dbraw/zinc/07/50/45/1070075045.db2.gz INQBXBVMPQQSLH-ZVHZXABRSA-N 0 2 590.430 5.948 40 30 KKEBLN C=CCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc1OCC ZINC000408899614 1070159379 /nfs/dbraw/zinc/15/93/79/1070159379.db2.gz PLVUFWHOJRPKNC-YBEGLDIGSA-N 0 2 519.779 5.041 40 30 KKEBLN C=CCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc1OCC ZINC000408900348 1070162552 /nfs/dbraw/zinc/16/25/52/1070162552.db2.gz SBLDPRNJXAEVLL-YBEGLDIGSA-N 0 2 564.230 5.150 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000408903679 1070187994 /nfs/dbraw/zinc/18/79/94/1070187994.db2.gz WEVOWMLCZUHDPU-WSDLNYQXSA-N 0 2 616.295 6.738 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408986058 1070347073 /nfs/dbraw/zinc/34/70/73/1070347073.db2.gz ZFYSXPNIWHOXRR-IWIPYMOSSA-N 0 2 500.982 5.931 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000408901794 1070918159 /nfs/dbraw/zinc/91/81/59/1070918159.db2.gz CJZRMWFWAFFCQM-HYARGMPZSA-N 0 2 581.850 6.085 40 30 KKEBLN COCCN1C(=O)/C(=C/c2cc(Br)c(O)c(Br)c2)S/C1=N\c1ccc(OC)cc1 ZINC000408932991 1071246861 /nfs/dbraw/zinc/24/68/61/1071246861.db2.gz GIPCVKHDIOOJNF-NKHYKUCGSA-N 0 2 542.249 5.176 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000408950415 1071356826 /nfs/dbraw/zinc/35/68/26/1071356826.db2.gz JXURAMHPBCCLSE-DPNNOFEESA-N 0 2 695.654 8.290 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408947284 1071371523 /nfs/dbraw/zinc/37/15/23/1071371523.db2.gz BTFRCZOOWVIGKD-VTNSRFBWSA-N 0 2 647.728 7.045 40 30 KKEBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000408956986 1071375274 /nfs/dbraw/zinc/37/52/74/1071375274.db2.gz ZMMYUDYLTTWPAI-VFLNYLIXSA-N 0 2 622.121 6.933 40 30 KKEBLN N#Cc1ccccc1COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Cl ZINC000408953863 1071394019 /nfs/dbraw/zinc/39/40/19/1071394019.db2.gz QFAQCWFXQUOJOJ-KVSWJAHQSA-N 0 2 626.540 7.578 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000408954529 1071389963 /nfs/dbraw/zinc/38/99/63/1071389963.db2.gz RFKVJZFNECKMSH-DPNNOFEESA-N 0 2 634.748 7.666 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000408985767 1071496247 /nfs/dbraw/zinc/49/62/47/1071496247.db2.gz AUISTQXPCQLYRC-QRQIAZFYSA-N 0 2 581.068 7.174 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 ZINC000408985229 1071501814 /nfs/dbraw/zinc/50/18/14/1071501814.db2.gz AITAIQGOKBBNAF-FBHDLOMBSA-N 0 2 609.860 6.114 40 30 KKEBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000408982574 1071524427 /nfs/dbraw/zinc/52/44/27/1071524427.db2.gz IADCSHAUAYDRSD-FBHDLOMBSA-N 0 2 594.849 5.927 40 30 KKEBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCc4ccccc4C#N)c(I)c3)C2=O)cc1 ZINC000408982359 1071527312 /nfs/dbraw/zinc/52/73/12/1071527312.db2.gz GPRABEKPTPQGOC-NHDPSOOVSA-N 0 2 656.274 5.733 40 30 KKEBLN N#Cc1c(/N=C/c2cc(Br)c(O)cc2O)oc(-c2ccc3c(c2)OCO3)c1-c1ccc2c(c1)OCO2 ZINC000408719782 1071546098 /nfs/dbraw/zinc/54/60/98/1071546098.db2.gz RYRYTQZKDMBLBR-VYVUJPJFSA-N 0 2 547.317 5.867 40 30 KKEBLN O=C1/C(=C/c2cc(Br)c(O)c(Br)c2O)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000408720687 1071542807 /nfs/dbraw/zinc/54/28/07/1071542807.db2.gz CFYWKJZUBRXLMI-AFECXINISA-N 0 2 546.240 6.431 40 30 KKEBLN C=CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Br ZINC000408987344 1071613954 /nfs/dbraw/zinc/61/39/54/1071613954.db2.gz ODFFLSYKTYHUAI-VGOFMYFVSA-N 0 2 554.622 5.405 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000408987348 1071614011 /nfs/dbraw/zinc/61/40/11/1071614011.db2.gz OFNZNFOQDLLBAL-XYGWBWBKSA-N 0 2 575.459 5.994 40 30 KKEBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000408755632 1071644471 /nfs/dbraw/zinc/64/44/71/1071644471.db2.gz RFYYYSAARMYSJH-KEBDBYFISA-N 0 2 580.822 5.537 40 30 KKEBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000408754485 1071652394 /nfs/dbraw/zinc/65/23/94/1071652394.db2.gz KMFKUNCNIIJQSL-SRZZPIQSSA-N 0 2 639.300 6.036 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408752262 1071666110 /nfs/dbraw/zinc/66/61/10/1071666110.db2.gz HEPROQNASGKMPW-LPYMAVHISA-N 0 2 644.747 7.147 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408760451 1071697415 /nfs/dbraw/zinc/69/74/15/1071697415.db2.gz YVYFRDQVNKYUPR-CIAFOILYSA-N 0 2 630.322 7.047 40 30 KKEBLN C=CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1CC=C ZINC000408766340 1071713987 /nfs/dbraw/zinc/71/39/87/1071713987.db2.gz ULEJXMJORXQLBS-LDADJPATSA-N 0 2 560.242 5.480 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccccc1 ZINC000408764944 1071726048 /nfs/dbraw/zinc/72/60/48/1071726048.db2.gz UKXWTETVEDRMAX-XQNSMLJCSA-N 0 2 531.406 5.731 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408763826 1071731065 /nfs/dbraw/zinc/73/10/65/1071731065.db2.gz RAKHEULJHGBZBZ-WGOQTCKBSA-N 0 2 660.362 7.647 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000408761380 1071739872 /nfs/dbraw/zinc/73/98/72/1071739872.db2.gz JFRWWPQWAJLZBS-BUVRLJJBSA-N 0 2 593.449 6.269 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000408777220 1071746051 /nfs/dbraw/zinc/74/60/51/1071746051.db2.gz WQGAYLXSRKFLCJ-YDZHTSKRSA-N 0 2 551.426 6.284 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408774278 1071762272 /nfs/dbraw/zinc/76/22/72/1071762272.db2.gz UKAOMTFPQWGXAZ-OEAKJJBVSA-N 0 2 565.851 6.385 40 30 KKEBLN C=CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1OC ZINC000408772764 1071771239 /nfs/dbraw/zinc/77/12/39/1071771239.db2.gz FODCVFLQHZAPDH-NTUHNPAUSA-N 0 2 606.722 5.203 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 ZINC000408771529 1071780811 /nfs/dbraw/zinc/78/08/11/1071780811.db2.gz HRNSXAPNFKRMNS-FSJBWODESA-N 0 2 589.442 5.769 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408782265 1071811314 /nfs/dbraw/zinc/81/13/14/1071811314.db2.gz GOAGTWWXAVFHDD-ZVHZXABRSA-N 0 2 590.430 5.948 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408781497 1071818760 /nfs/dbraw/zinc/81/87/60/1071818760.db2.gz BAQNKVBAGJCWIE-BUVRLJJBSA-N 0 2 561.978 5.621 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408780583 1071823624 /nfs/dbraw/zinc/82/36/24/1071823624.db2.gz FMKDYVNCIFRLTC-LPYMAVHISA-N 0 2 630.720 6.839 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OCc1ccccc1F ZINC000408779895 1071826265 /nfs/dbraw/zinc/82/62/65/1071826265.db2.gz NATOVHGNXBLBAG-HZHRSRAPSA-N 0 2 500.526 5.117 40 30 KKEBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCc4ccccc4C#N)c(I)c3)C2=O)cc1 ZINC000408778940 1071833203 /nfs/dbraw/zinc/83/32/03/1071833203.db2.gz ZVAAYTZYPIOVGO-KEBDBYFISA-N 0 2 689.247 5.321 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408778601 1071835378 /nfs/dbraw/zinc/83/53/78/1071835378.db2.gz IFNQNZQCYHSTKI-OEAKJJBVSA-N 0 2 521.400 6.276 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OCC)c1OCc1ccc2ccccc2c1 ZINC000408786567 1071849955 /nfs/dbraw/zinc/84/99/55/1071849955.db2.gz KVHWWRZANKMDLF-NDZAJKAJSA-N 0 2 560.650 6.829 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000408786305 1071852534 /nfs/dbraw/zinc/85/25/34/1071852534.db2.gz OYAUPRNJMUFQFU-MFKUBSTISA-N 0 2 575.459 6.048 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000408788404 1071898385 /nfs/dbraw/zinc/89/83/85/1071898385.db2.gz FIZKHCKOZWQPBP-BUVRLJJBSA-N 0 2 534.971 5.852 40 30 KKEBLN C#CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Br ZINC000409048588 1071969982 /nfs/dbraw/zinc/96/99/82/1071969982.db2.gz SKGKZWLFMCIVSH-FYJGNVAPSA-N 0 2 610.258 5.469 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1OCc1cccc(F)c1 ZINC000409066436 1071994744 /nfs/dbraw/zinc/99/47/44/1071994744.db2.gz ASSRQAFWVFORNV-HYARGMPZSA-N 0 2 534.971 5.770 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409066915 1072000798 /nfs/dbraw/zinc/00/07/98/1072000798.db2.gz DHHHONVEYCGKSP-ZVHZXABRSA-N 0 2 565.453 6.674 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000409066716 1072001311 /nfs/dbraw/zinc/00/13/11/1072001311.db2.gz CHAWQFKZLZYIOE-HZHRSRAPSA-N 0 2 548.998 6.160 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409065689 1072007646 /nfs/dbraw/zinc/00/76/46/1072007646.db2.gz IVDUBYZDRZOJCW-HZHRSRAPSA-N 0 2 585.009 5.040 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000409064005 1072018785 /nfs/dbraw/zinc/01/87/85/1072018785.db2.gz BAAJWEPCNDSESL-LFVJCYFKSA-N 0 2 500.526 5.198 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000409076021 1072054710 /nfs/dbraw/zinc/05/47/10/1072054710.db2.gz WPPKFDDRRUBYGE-MTDXEUNCSA-N 0 2 548.595 5.918 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000409074280 1072068211 /nfs/dbraw/zinc/06/82/11/1072068211.db2.gz YYIDONPBFAXGFX-ZVHZXABRSA-N 0 2 606.429 5.730 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409073625 1072074696 /nfs/dbraw/zinc/07/46/96/1072074696.db2.gz QRSHPIXRNUEUTB-ZVHZXABRSA-N 0 2 561.978 5.621 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409071283 1072090671 /nfs/dbraw/zinc/09/06/71/1072090671.db2.gz JCYCSGNOOPXQJZ-HZHRSRAPSA-N 0 2 502.954 5.323 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OC)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409071456 1072088214 /nfs/dbraw/zinc/08/82/14/1072088214.db2.gz OORFUQZFEUHBON-OEAKJJBVSA-N 0 2 581.046 5.128 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409070939 1072092446 /nfs/dbraw/zinc/09/24/46/1072092446.db2.gz MKGBIEGJULKDRT-BUVRLJJBSA-N 0 2 595.073 5.518 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000409069725 1072099721 /nfs/dbraw/zinc/09/97/21/1072099721.db2.gz VUAVZUMJXPBWRQ-BUVRLJJBSA-N 0 2 606.429 5.730 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000409068252 1072112206 /nfs/dbraw/zinc/11/22/06/1072112206.db2.gz IFPRYPVZKRADHT-PPOKSSTKSA-N 0 2 624.693 7.401 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409068579 1072109753 /nfs/dbraw/zinc/10/97/53/1072109753.db2.gz TYNKWAXODJRCEP-LPYMAVHISA-N 0 2 601.464 5.473 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1OCc1ccccc1F ZINC000409067602 1072116971 /nfs/dbraw/zinc/11/69/71/1072116971.db2.gz GDHXJFGNJWXGOU-UDWIEESQSA-N 0 2 555.389 6.115 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409077580 1072155722 /nfs/dbraw/zinc/15/57/22/1072155722.db2.gz GAPNOMNLXUKHLK-CIAFOILYSA-N 0 2 615.948 6.853 40 30 KKEBLN CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cc([N+](=O)[O-])ccc3O)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409084361 1072190246 /nfs/dbraw/zinc/19/02/46/1072190246.db2.gz XBHTWEZLLJXSAO-KXVDBBMMSA-N 0 2 512.031 7.169 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409087443 1072308555 /nfs/dbraw/zinc/30/85/55/1072308555.db2.gz CNZPRXJMGQODHT-DEDYPNTBSA-N 0 2 606.975 6.051 40 30 KKEBLN CCc1nnc(C2=C(O)C(=Cc3ccc(OCc4ccccc4C#N)c(Br)c3)SC2=N)s1 ZINC000409336512 1072330732 /nfs/dbraw/zinc/33/07/32/1072330732.db2.gz ONFGFLSJCWDQRD-HKDICLHKSA-N 0 2 525.453 5.732 40 30 KKEBLN CCc1nnc(C2=C(O)C(=Cc3cc(Br)c(OCc4ccc(Br)cc4)c(OC)c3)SC2=N)s1 ZINC000409333929 1072350679 /nfs/dbraw/zinc/35/06/79/1072350679.db2.gz FYGMNMUJGOKZJG-YYIIPSDLSA-N 0 2 609.365 6.631 40 30 KKEBLN CCc1nnc(C2=C(O)C(=Cc3ccc(OCc4ccc(F)cc4)c(Br)c3)SC2=N)s1 ZINC000409336924 1072405866 /nfs/dbraw/zinc/40/58/66/1072405866.db2.gz QSMWXCNXLVLJAE-ZZOVDFBMSA-N 0 2 518.433 5.999 40 30 KKEBLN CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)ccc1OCc1cc(OC)ccc1OC ZINC000409337377 1072495688 /nfs/dbraw/zinc/49/56/88/1072495688.db2.gz UHQMQJSKVUOZSE-QMUPLTOVSA-N 0 2 525.652 5.513 40 30 KKEBLN Cc1ccc(-c2[nH][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2ccc(OCc3ccccc3C#N)c(Br)c2)cc1 ZINC000409367640 1072669945 /nfs/dbraw/zinc/66/99/45/1072669945.db2.gz GUVDUKCJTILHGK-UHFFFAOYSA-N 0 2 646.545 7.888 40 30 KKEBLN CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O)c(Br)c1 ZINC000409286430 1073346385 /nfs/dbraw/zinc/34/63/85/1073346385.db2.gz YRGBNHBDOAOOFH-UHFFFAOYSA-N 0 2 544.041 5.395 40 30 KKEBLN Cc1ccc(-c2nc3cc(/N=C/c4c(C)c(Br)c(O)c(Br)c4O)ccc3o2)cc1C ZINC000003114077 552290174 /nfs/dbraw/zinc/29/01/74/552290174.db2.gz CASMNWBWJJBEPJ-NSKAYECMSA-N 0 2 530.216 7.107 40 30 KKEBLN Cc1cc(C)cc(/N=C2\SC(CC(=O)Nc3c(C)cccc3C)C(=O)N2Cc2ccc3c(c2)OCO3)c1 ZINC000003252398 552323131 /nfs/dbraw/zinc/32/31/31/552323131.db2.gz ODBAJGZDSADGAM-WFZJQDAOSA-N 0 2 515.635 5.809 40 30 KKEBLN Cc1cc(C)cc(/N=C2\S[C@H](CC(=O)Nc3c(C)cccc3C)C(=O)N2Cc2ccc3c(c2)OCO3)c1 ZINC000003252398 552323133 /nfs/dbraw/zinc/32/31/33/552323133.db2.gz ODBAJGZDSADGAM-WFZJQDAOSA-N 0 2 515.635 5.809 40 30 KKEBLN COc1ccc(OC)c(NC(=O)CC2S/C(=N/c3cc(C)ccc3C)N(Cc3ccc4c(c3)OCO4)C2=O)c1 ZINC000003277624 552334579 /nfs/dbraw/zinc/33/45/79/552334579.db2.gz HXQZAHKQQIWCBW-RYRBQSRMSA-N 0 2 547.633 5.210 40 30 KKEBLN COc1ccc(OC)c(NC(=O)C[C@H]2S/C(=N/c3cc(C)ccc3C)N(Cc3ccc4c(c3)OCO4)C2=O)c1 ZINC000003277624 552334582 /nfs/dbraw/zinc/33/45/82/552334582.db2.gz HXQZAHKQQIWCBW-RYRBQSRMSA-N 0 2 547.633 5.210 40 30 KKEBLN CC(=O)c1ccc(NC(=O)CC2SC(=Nc3ccc(Cl)c(Cl)c3)N(C3CCCC3)C2=O)cc1 ZINC000003301997 552346547 /nfs/dbraw/zinc/34/65/47/552346547.db2.gz KIJSHMZIKATLRE-OKPNVDCHSA-N 0 2 504.439 6.099 40 30 KKEBLN CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)c(Cl)c3)N(C3CCCC3)C2=O)cc1 ZINC000003301997 552346549 /nfs/dbraw/zinc/34/65/49/552346549.db2.gz KIJSHMZIKATLRE-OKPNVDCHSA-N 0 2 504.439 6.099 40 30 KKEBLN COc1ccccc1NS(=O)(=O)c1ccc(N=NCc2c(OC)ccc3ccccc32)c([N+](=O)[O-])c1 ZINC000012566206 553396957 /nfs/dbraw/zinc/39/69/57/553396957.db2.gz XSFNDSPKCQFEGE-WGOQTCKBSA-N 0 2 506.540 5.012 40 30 KKEBLN O=C(C[C@H]1SC(=NN=Cc2c3ccccc3[nH]c2-c2ccccc2)NC1=O)c1ccc2c(c1)CCCC2 ZINC000012580215 553399064 /nfs/dbraw/zinc/39/90/64/553399064.db2.gz FHXWFILCKAVLAU-FTBWOGGGSA-N 0 2 506.631 5.908 40 30 KKEBLN O=C(CC1SC(=NN=Cc2c3ccccc3[nH]c2-c2ccccc2)NC1=O)c1ccc2c(c1)CCCC2 ZINC000012580215 553399067 /nfs/dbraw/zinc/39/90/67/553399067.db2.gz FHXWFILCKAVLAU-FTBWOGGGSA-N 0 2 506.631 5.908 40 30 KKEBLN O=[N+]([O-])c1cc(C=NNc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[N+](=O)[O-])ccc1Cl ZINC000012650521 553409587 /nfs/dbraw/zinc/40/95/87/553409587.db2.gz UFBAUGYDCHRIFF-SSDVNMTOSA-N 0 2 510.315 5.057 40 30 KKEBLN CCOc1ccccc1/N=C1\SC(CC(=O)Nc2cccc(Cl)c2C)C(=O)N1CCC1=CCCCC1 ZINC000015911402 553541285 /nfs/dbraw/zinc/54/12/85/553541285.db2.gz XVLWHWSHTSJMAO-FZWCJVCJSA-N 0 2 526.102 6.898 40 30 KKEBLN CCOc1ccccc1/N=C1\S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1CCC1=CCCCC1 ZINC000015911402 553541287 /nfs/dbraw/zinc/54/12/87/553541287.db2.gz XVLWHWSHTSJMAO-FZWCJVCJSA-N 0 2 526.102 6.898 40 30 KKEBLN O=C(CC1S/C(=N\c2cccc3ccccc32)N(Cc2ccccn2)C1=O)Nc1ccccc1Cl ZINC000015913118 553542067 /nfs/dbraw/zinc/54/20/67/553542067.db2.gz ULLDMASPPBEZTH-BWUCGBNQSA-N 0 2 501.011 6.049 40 30 KKEBLN O=C(C[C@H]1S/C(=N\c2cccc3ccccc32)N(Cc2ccccn2)C1=O)Nc1ccccc1Cl ZINC000015913118 553542070 /nfs/dbraw/zinc/54/20/70/553542070.db2.gz ULLDMASPPBEZTH-BWUCGBNQSA-N 0 2 501.011 6.049 40 30 KKEBLN CC(=O)c1ccc(N=C2SC(CC(=O)Nc3ccc(Br)cc3)C(=O)N2CC(C)C)cc1 ZINC000015978465 553548027 /nfs/dbraw/zinc/54/80/27/553548027.db2.gz SBJQIRPBSJHLCP-FXFSXJFASA-N 0 2 502.434 5.268 40 30 KKEBLN CC(=O)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(Br)cc3)C(=O)N2CC(C)C)cc1 ZINC000015978465 553548029 /nfs/dbraw/zinc/54/80/29/553548029.db2.gz SBJQIRPBSJHLCP-FXFSXJFASA-N 0 2 502.434 5.268 40 30 KKEBLN O=C(CC1S/C(=N/N=C/c2c3ccccc3[nH]c2-c2ccccc2)NC1=O)Nc1ccc(Cl)cc1 ZINC000016713206 553575146 /nfs/dbraw/zinc/57/51/46/553575146.db2.gz JLPPLDYXZGYFSQ-FEGPCZTRSA-N 0 2 501.999 5.439 40 30 KKEBLN O=C(C[C@H]1S/C(=N/N=C/c2c3ccccc3[nH]c2-c2ccccc2)NC1=O)Nc1ccc(Cl)cc1 ZINC000016713206 553575149 /nfs/dbraw/zinc/57/51/49/553575149.db2.gz JLPPLDYXZGYFSQ-FEGPCZTRSA-N 0 2 501.999 5.439 40 30 KKEBLN O/N=C(\Cc1nc2cc(Cl)c(Cl)cc2nc1C/C(=N/O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000018010405 553601425 /nfs/dbraw/zinc/60/14/25/553601425.db2.gz XVSAUVSDAKPRKW-QXLZFTBOSA-N 0 2 534.230 7.085 40 30 KKEBLN CCOc1ccc(/N=C2/SC(CC(=O)Nc3cccc4ccccc43)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000096400521 553753729 /nfs/dbraw/zinc/75/37/29/553753729.db2.gz CLBCQJMOECOEBO-JVSLXRMXSA-N 0 2 503.624 5.378 40 30 KKEBLN CCOc1ccc(/N=C2/S[C@@H](CC(=O)Nc3cccc4ccccc43)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000096400521 553753731 /nfs/dbraw/zinc/75/37/31/553753731.db2.gz CLBCQJMOECOEBO-JVSLXRMXSA-N 0 2 503.624 5.378 40 30 KKEBLN CCC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cc1C)c1ccc(OC(F)F)cc1 ZINC000033370672 553957643 /nfs/dbraw/zinc/95/76/43/553957643.db2.gz CZLFIGDNDXAETC-OOAXWGSJSA-N 0 2 518.542 5.840 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N/c3cccc(Cl)c3C)N(CCc3ccc(Cl)cc3)C2=O)cc1Cl ZINC000097981983 553998626 /nfs/dbraw/zinc/99/86/26/553998626.db2.gz NZEYIAQYRMIRQT-NYARCVKBSA-N 0 2 576.933 7.167 40 30 KKEBLN COc1ccc(NC(=O)C[C@@H]2S/C(=N/c3cccc(Cl)c3C)N(CCc3ccc(Cl)cc3)C2=O)cc1Cl ZINC000097981983 553998629 /nfs/dbraw/zinc/99/86/29/553998629.db2.gz NZEYIAQYRMIRQT-NYARCVKBSA-N 0 2 576.933 7.167 40 30 KKEBLN Cc1cccc(/N=C2\SC(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C(=O)N2Cc2ccccc2)c1C ZINC000097981991 553998915 /nfs/dbraw/zinc/99/89/15/553998915.db2.gz LXPCRFGWEWIOEM-AIAZDZNISA-N 0 2 546.014 7.136 40 30 KKEBLN Cc1cccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C(=O)N2Cc2ccccc2)c1C ZINC000097981991 553998918 /nfs/dbraw/zinc/99/89/18/553998918.db2.gz LXPCRFGWEWIOEM-AIAZDZNISA-N 0 2 546.014 7.136 40 30 KKEBLN CCOc1ccccc1/N=C1/SC(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C(=O)N1[C@@H](C)CCC(C)C ZINC000097982080 553999395 /nfs/dbraw/zinc/99/93/95/553999395.db2.gz TZIIHMJTDLMWJV-WAPSRGDQSA-N 0 2 542.658 5.787 40 30 KKEBLN CCOc1ccccc1/N=C1/S[C@@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C(=O)N1[C@@H](C)CCC(C)C ZINC000097982080 553999400 /nfs/dbraw/zinc/99/94/00/553999400.db2.gz TZIIHMJTDLMWJV-WAPSRGDQSA-N 0 2 542.658 5.787 40 30 KKEBLN O=C(CC1S/C(=N/c2cccc3ccccc32)N(CCC2=CCCCC2)C1=O)Nc1ccc2ccccc2c1 ZINC000097982102 553999766 /nfs/dbraw/zinc/99/97/66/553999766.db2.gz PVZNQCMRWFHHNB-DXFQKLHUSA-N 0 2 533.697 7.844 40 30 KKEBLN O=C(C[C@H]1S/C(=N/c2cccc3ccccc32)N(CCC2=CCCCC2)C1=O)Nc1ccc2ccccc2c1 ZINC000097982102 553999774 /nfs/dbraw/zinc/99/97/74/553999774.db2.gz PVZNQCMRWFHHNB-DXFQKLHUSA-N 0 2 533.697 7.844 40 30 KKEBLN O=C(CC1S/C(=N/c2cccc3ccccc32)N(CCC2=CCCCC2)C1=O)Nc1cccc2ccccc21 ZINC000097982108 553999830 /nfs/dbraw/zinc/99/98/30/553999830.db2.gz FFMTVFXKJVZFLL-DXFQKLHUSA-N 0 2 533.697 7.844 40 30 KKEBLN O=C(C[C@H]1S/C(=N/c2cccc3ccccc32)N(CCC2=CCCCC2)C1=O)Nc1cccc2ccccc21 ZINC000097982108 553999832 /nfs/dbraw/zinc/99/98/32/553999832.db2.gz FFMTVFXKJVZFLL-DXFQKLHUSA-N 0 2 533.697 7.844 40 30 KKEBLN CCOc1ccccc1/N=C1/SC(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C(=O)N1[C@H](C)CCC(C)C ZINC000097982083 553999909 /nfs/dbraw/zinc/99/99/09/553999909.db2.gz TZIIHMJTDLMWJV-KNVNVXTNSA-N 0 2 542.658 5.787 40 30 KKEBLN CCOc1ccccc1/N=C1/S[C@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C(=O)N1[C@H](C)CCC(C)C ZINC000097982083 553999910 /nfs/dbraw/zinc/99/99/10/553999910.db2.gz TZIIHMJTDLMWJV-KNVNVXTNSA-N 0 2 542.658 5.787 40 30 KKEBLN COc1ccc(C(C)N=Nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[N+](=O)[O-])cc1CSc1ncccn1 ZINC000097982417 554002206 /nfs/dbraw/zinc/00/22/06/554002206.db2.gz SPIUVQLAAARBOP-UXHLAJHPSA-N 0 2 594.675 5.331 40 30 KKEBLN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC(C)c2ccc(Cl)cc2Cl)c(C)c1 ZINC000035214822 554041917 /nfs/dbraw/zinc/04/19/17/554041917.db2.gz UTTHYQFZEZKQML-MYYYXRDXSA-N 0 2 507.399 6.155 40 30 KKEBLN C=C(C)[C@H](CCC=C(C)C)[C@]12C[C@@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(=C(O)c3ccc(O)c(O)c3)C1=O)C2=O ZINC000100017706 554181589 /nfs/dbraw/zinc/18/15/89/554181589.db2.gz GRBCIRZXESZBGJ-NKTVNEEOSA-N 0 2 602.812 8.915 40 30 in-vitro KKEBLN COc1ccc(CN2C(=O)/C(=C\c3cc(Cl)c(O)c(Br)c3)S/C2=N\c2ccccc2)cc1 ZINC000100236277 554258372 /nfs/dbraw/zinc/25/83/72/554258372.db2.gz QVMFAFCEDPHWGZ-CIFGJUBISA-N 0 2 529.843 6.621 40 30 KKEBLN COc1ccc(NC(=O)CSc2nc3ccc(/N=C/c4cc(Br)c(O)c(Br)c4)cc3s2)cc1 ZINC000100362953 554346854 /nfs/dbraw/zinc/34/68/54/554346854.db2.gz NTQUUJLDHUOLDM-KBKYJPHKSA-N 0 2 607.349 7.017 40 30 KKEBLN C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000059135539 554381627 /nfs/dbraw/zinc/38/16/27/554381627.db2.gz SJPVWMREWGLUOB-OVVQPSECSA-N 0 2 506.533 6.793 40 30 KKEBLN Cc1cc(C)c(NC(=O)CSc2nc3ccc(/N=C/c4ccc(O)c([N+](=O)[O-])c4)cc3s2)c(C)c1 ZINC000059461302 554396344 /nfs/dbraw/zinc/39/63/44/554396344.db2.gz DYFIVFPINZLZIK-RPPGKUMJSA-N 0 2 506.609 6.317 40 30 KKEBLN O=C(CSc1nc2ccc(/N=C/c3cc([N+](=O)[O-])ccc3O)cc2s1)Nc1ccccc1[N+](=O)[O-] ZINC000059474785 554396713 /nfs/dbraw/zinc/39/67/13/554396713.db2.gz MMDSJWIPJNMDLR-FOKLQQMPSA-N 0 2 509.525 5.300 40 30 KKEBLN O=C(CSc1nc2ccc(/N=C/c3cc([N+](=O)[O-])ccc3O)cc2s1)Nc1ccccc1C(F)(F)F ZINC000100457567 554396997 /nfs/dbraw/zinc/39/69/97/554396997.db2.gz VYNMDMBYMFONMG-LUOAPIJWSA-N 0 2 532.525 6.410 40 30 KKEBLN O=C(CSc1nc2ccc(N=Cc3cc([N+](=O)[O-])ccc3O)cc2s1)c1ccc(-c2ccccc2)cc1 ZINC000100457494 554397037 /nfs/dbraw/zinc/39/70/37/554397037.db2.gz XIGUEYXFSWQCEN-MUFRIFMGSA-N 0 2 525.611 7.303 40 30 KKEBLN CCCOc1ccc(NC(=O)CC2S/C(=N/c3ccc(OC)cc3)N(Cc3cccs3)C2=O)cc1 ZINC000101614253 554805872 /nfs/dbraw/zinc/80/58/72/554805872.db2.gz ZVXOCQLVGZPGRX-ZKZPFDSASA-N 0 2 509.653 5.706 40 30 KKEBLN CCCOc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(OC)cc3)N(Cc3cccs3)C2=O)cc1 ZINC000101614253 554805877 /nfs/dbraw/zinc/80/58/77/554805877.db2.gz ZVXOCQLVGZPGRX-ZKZPFDSASA-N 0 2 509.653 5.706 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N\c3ccccc3F)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000102406118 554920872 /nfs/dbraw/zinc/92/08/72/554920872.db2.gz IMKDQQAICLVKAL-PGWWVJEZSA-N 0 2 537.613 5.055 40 30 KKEBLN COc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3F)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000102406118 554920876 /nfs/dbraw/zinc/92/08/76/554920876.db2.gz IMKDQQAICLVKAL-PGWWVJEZSA-N 0 2 537.613 5.055 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3cccc(OCC)c3)C(=O)N2Cc2cccs2)cc1 ZINC000102405985 554920898 /nfs/dbraw/zinc/92/08/98/554920898.db2.gz MOXZYHCGXGRYJD-JIDDHEAESA-N 0 2 537.663 5.484 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@H](CC(=O)Nc3cccc(OCC)c3)C(=O)N2Cc2cccs2)cc1 ZINC000102405985 554920900 /nfs/dbraw/zinc/92/09/00/554920900.db2.gz MOXZYHCGXGRYJD-JIDDHEAESA-N 0 2 537.663 5.484 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3cccc(C)c3)C(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000102406091 554920913 /nfs/dbraw/zinc/92/09/13/554920913.db2.gz PQHYGCLKWQEIAL-FPVUOMKESA-N 0 2 545.661 5.383 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@@H](CC(=O)Nc3cccc(C)c3)C(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000102406091 554920915 /nfs/dbraw/zinc/92/09/15/554920915.db2.gz PQHYGCLKWQEIAL-FPVUOMKESA-N 0 2 545.661 5.383 40 30 KKEBLN O=C(CC1S/C(=N\c2ccc(C(F)(F)F)cc2)N(Cc2ccccc2)C1=O)Nc1ccc(I)cc1 ZINC000102406284 554921128 /nfs/dbraw/zinc/92/11/28/554921128.db2.gz QSFSGXZVIZWSAG-KUEVPICXSA-N 0 2 609.411 6.471 40 30 KKEBLN O=C(C[C@@H]1S/C(=N\c2ccc(C(F)(F)F)cc2)N(Cc2ccccc2)C1=O)Nc1ccc(I)cc1 ZINC000102406284 554921129 /nfs/dbraw/zinc/92/11/29/554921129.db2.gz QSFSGXZVIZWSAG-KUEVPICXSA-N 0 2 609.411 6.471 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3cccc(OCC)c3)C(=O)N2Cc2ccccc2Cl)cc1 ZINC000102407878 554922203 /nfs/dbraw/zinc/92/22/03/554922203.db2.gz FDJHUWLGWVFATE-MEXAFARESA-N 0 2 566.079 6.076 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@@H](CC(=O)Nc3cccc(OCC)c3)C(=O)N2Cc2ccccc2Cl)cc1 ZINC000102407878 554922207 /nfs/dbraw/zinc/92/22/07/554922207.db2.gz FDJHUWLGWVFATE-MEXAFARESA-N 0 2 566.079 6.076 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3ccccc3Cl)C(=O)N2CCc2ccc(F)cc2)cc1 ZINC000102407968 554922224 /nfs/dbraw/zinc/92/22/24/554922224.db2.gz KUPPCSXWLZARLM-UCSRTCPSSA-N 0 2 554.043 5.859 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccccc3Cl)C(=O)N2CCc2ccc(F)cc2)cc1 ZINC000102407968 554922226 /nfs/dbraw/zinc/92/22/26/554922226.db2.gz KUPPCSXWLZARLM-UCSRTCPSSA-N 0 2 554.043 5.859 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3cccc(OCC)c3)C(=O)N2Cc2ccccc2Cl)cc1 ZINC000102407874 554922228 /nfs/dbraw/zinc/92/22/28/554922228.db2.gz FDJHUWLGWVFATE-CALDVZBHSA-N 0 2 566.079 6.076 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@H](CC(=O)Nc3cccc(OCC)c3)C(=O)N2Cc2ccccc2Cl)cc1 ZINC000102407874 554922231 /nfs/dbraw/zinc/92/22/31/554922231.db2.gz FDJHUWLGWVFATE-CALDVZBHSA-N 0 2 566.079 6.076 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3ccc(OCC)cc3)C(=O)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000102408153 554922533 /nfs/dbraw/zinc/92/25/33/554922533.db2.gz GWOOQVJLEXVLCV-PYMNRZMWSA-N 0 2 591.686 5.440 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(OCC)cc3)C(=O)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000102408153 554922534 /nfs/dbraw/zinc/92/25/34/554922534.db2.gz GWOOQVJLEXVLCV-PYMNRZMWSA-N 0 2 591.686 5.440 40 30 KKEBLN CCCCCCOc1ccc(NC(=O)CC2S/C(=N/c3ccc(C(=O)OC)cc3)N(CC)C2=O)cc1 ZINC000102408268 554922760 /nfs/dbraw/zinc/92/27/60/554922760.db2.gz KIKDSHUGSOYVCC-NUECVAKSSA-N 0 2 511.644 5.413 40 30 KKEBLN CCCCCCOc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(C(=O)OC)cc3)N(CC)C2=O)cc1 ZINC000102408268 554922763 /nfs/dbraw/zinc/92/27/63/554922763.db2.gz KIKDSHUGSOYVCC-NUECVAKSSA-N 0 2 511.644 5.413 40 30 KKEBLN Cc1c(/N=C2\SC(CC(=O)Nc3ccc4ccccc4c3)C(=O)N2[C@@H]2CCCC[C@@H]2C)c(=O)n(-c2ccccc2)n1C ZINC000102921082 555146277 /nfs/dbraw/zinc/14/62/77/555146277.db2.gz OHYOFOSSPAQIJU-NVUACWLCSA-N 0 2 581.742 6.177 40 30 KKEBLN Cc1c(/N=C2\S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2[C@@H]2CCCC[C@@H]2C)c(=O)n(-c2ccccc2)n1C ZINC000102921082 555146279 /nfs/dbraw/zinc/14/62/79/555146279.db2.gz OHYOFOSSPAQIJU-NVUACWLCSA-N 0 2 581.742 6.177 40 30 KKEBLN CC(=O)c1ccc(N=C2SC(CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2[C@@H]2CCCc3ccccc32)cc1 ZINC000102924278 555148620 /nfs/dbraw/zinc/14/86/20/555148620.db2.gz PMYHKEOYDQNLDS-QDZJGUQOSA-N 0 2 539.657 6.130 40 30 KKEBLN CC(=O)c1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2[C@@H]2CCCc3ccccc32)cc1 ZINC000102924278 555148622 /nfs/dbraw/zinc/14/86/22/555148622.db2.gz PMYHKEOYDQNLDS-QDZJGUQOSA-N 0 2 539.657 6.130 40 30 KKEBLN CCn1c2ccccc2c2cc(/N=C3/SC(CC(=O)Nc4ccccc4OC)C(=O)N3CCOC)ccc21 ZINC000102926953 555151384 /nfs/dbraw/zinc/15/13/84/555151384.db2.gz RIHRMIMDCUBCTG-MBESXQTPSA-N 0 2 530.650 5.430 40 30 KKEBLN CCn1c2ccccc2c2cc(/N=C3/S[C@H](CC(=O)Nc4ccccc4OC)C(=O)N3CCOC)ccc21 ZINC000102926953 555151389 /nfs/dbraw/zinc/15/13/89/555151389.db2.gz RIHRMIMDCUBCTG-MBESXQTPSA-N 0 2 530.650 5.430 40 30 KKEBLN Cc1ccc(/N=C2\SC(CC(=O)Nc3ccc(I)cc3)C(=O)N2C2CCCC2)cc1C ZINC000102961065 555176310 /nfs/dbraw/zinc/17/63/10/555176310.db2.gz GEKQJMOYQNJJRL-LQUAGZSJSA-N 0 2 547.462 5.811 40 30 KKEBLN Cc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccc(I)cc3)C(=O)N2C2CCCC2)cc1C ZINC000102961065 555176313 /nfs/dbraw/zinc/17/63/13/555176313.db2.gz GEKQJMOYQNJJRL-LQUAGZSJSA-N 0 2 547.462 5.811 40 30 KKEBLN O=C(CC1S/C(=N\c2cccc3ccccc32)N(CCC2=CCCCC2)C1=O)Nc1ccc2ccccc2c1 ZINC000102961357 555176825 /nfs/dbraw/zinc/17/68/25/555176825.db2.gz PVZNQCMRWFHHNB-HJYNKWJXSA-N 0 2 533.697 7.844 40 30 KKEBLN O=C(C[C@@H]1S/C(=N\c2cccc3ccccc32)N(CCC2=CCCCC2)C1=O)Nc1ccc2ccccc2c1 ZINC000102961357 555176827 /nfs/dbraw/zinc/17/68/27/555176827.db2.gz PVZNQCMRWFHHNB-HJYNKWJXSA-N 0 2 533.697 7.844 40 30 KKEBLN O=C(CC1S/C(=N\c2cccc3ccccc32)N(CCC2=CCCCC2)C1=O)Nc1ccc2ccccc2c1 ZINC000102961352 555176901 /nfs/dbraw/zinc/17/69/01/555176901.db2.gz PVZNQCMRWFHHNB-GFYZFDERSA-N 0 2 533.697 7.844 40 30 KKEBLN O=C(C[C@H]1S/C(=N\c2cccc3ccccc32)N(CCC2=CCCCC2)C1=O)Nc1ccc2ccccc2c1 ZINC000102961352 555176905 /nfs/dbraw/zinc/17/69/05/555176905.db2.gz PVZNQCMRWFHHNB-GFYZFDERSA-N 0 2 533.697 7.844 40 30 KKEBLN CCOc1ccc(/N=C2\SC(CC(=O)Nc3ccc(Oc4ccccc4)cc3)C(=O)N2Cc2ccccc2)cc1 ZINC000102961566 555177259 /nfs/dbraw/zinc/17/72/59/555177259.db2.gz MRKKSYIYDSWOPR-OSMYGOMNSA-N 0 2 551.668 7.038 40 30 KKEBLN CCOc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccc(Oc4ccccc4)cc3)C(=O)N2Cc2ccccc2)cc1 ZINC000102961566 555177261 /nfs/dbraw/zinc/17/72/61/555177261.db2.gz MRKKSYIYDSWOPR-OSMYGOMNSA-N 0 2 551.668 7.038 40 30 KKEBLN CCOc1ccccc1/N=C1\SC(CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1[C@@H](C)CCC(C)C ZINC000102961493 555177330 /nfs/dbraw/zinc/17/73/30/555177330.db2.gz ONMJSXAPMVKMLL-QENNPQRESA-N 0 2 535.632 6.889 40 30 KKEBLN CCOc1ccccc1/N=C1\S[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1[C@@H](C)CCC(C)C ZINC000102961493 555177332 /nfs/dbraw/zinc/17/73/32/555177332.db2.gz ONMJSXAPMVKMLL-QENNPQRESA-N 0 2 535.632 6.889 40 30 KKEBLN CCOc1ccccc1/N=C1\SC(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C(=O)N1[C@@H](C)CCC(C)C ZINC000102961510 555177348 /nfs/dbraw/zinc/17/73/48/555177348.db2.gz TZIIHMJTDLMWJV-HCYOEJBASA-N 0 2 542.658 5.787 40 30 KKEBLN CCOc1ccccc1/N=C1\S[C@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C(=O)N1[C@@H](C)CCC(C)C ZINC000102961510 555177351 /nfs/dbraw/zinc/17/73/51/555177351.db2.gz TZIIHMJTDLMWJV-HCYOEJBASA-N 0 2 542.658 5.787 40 30 KKEBLN Cc1cccc(C)c1NC(=O)CC1S/C(=N\c2ccc(F)cc2)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000102961862 555177739 /nfs/dbraw/zinc/17/77/39/555177739.db2.gz VROWKLCINXGYAR-JIDDHEAESA-N 0 2 505.571 5.332 40 30 KKEBLN Cc1cccc(C)c1NC(=O)C[C@H]1S/C(=N\c2ccc(F)cc2)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000102961862 555177740 /nfs/dbraw/zinc/17/77/40/555177740.db2.gz VROWKLCINXGYAR-JIDDHEAESA-N 0 2 505.571 5.332 40 30 KKEBLN O=C(CC1S/C(=N/c2ccc(OC(F)F)cc2)N([C@@H]2CCCc3ccccc32)C1=O)Nc1ccccc1 ZINC000102961969 555178058 /nfs/dbraw/zinc/17/80/58/555178058.db2.gz GWCXNJWXRCEVQI-HJOLCIMRSA-N 0 2 521.589 6.326 40 30 KKEBLN O=C(C[C@H]1S/C(=N/c2ccc(OC(F)F)cc2)N([C@@H]2CCCc3ccccc32)C1=O)Nc1ccccc1 ZINC000102961969 555178060 /nfs/dbraw/zinc/17/80/60/555178060.db2.gz GWCXNJWXRCEVQI-HJOLCIMRSA-N 0 2 521.589 6.326 40 30 KKEBLN Cc1ccc(/N=C2/SC(CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCC2=CCCCC2)cc1Cl ZINC000102962053 555178238 /nfs/dbraw/zinc/17/82/38/555178238.db2.gz RXKZHYZOBCTGDS-XKJZTMLSSA-N 0 2 518.029 6.777 40 30 KKEBLN Cc1ccc(/N=C2/S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCC2=CCCCC2)cc1Cl ZINC000102962053 555178241 /nfs/dbraw/zinc/17/82/41/555178241.db2.gz RXKZHYZOBCTGDS-XKJZTMLSSA-N 0 2 518.029 6.777 40 30 KKEBLN Cc1ccc(/N=C2/SC(CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCC2=CCCCC2)cc1Cl ZINC000102962057 555178303 /nfs/dbraw/zinc/17/83/03/555178303.db2.gz RXKZHYZOBCTGDS-YEPMHUSLSA-N 0 2 518.029 6.777 40 30 KKEBLN Cc1ccc(/N=C2/S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCC2=CCCCC2)cc1Cl ZINC000102962057 555178305 /nfs/dbraw/zinc/17/83/05/555178305.db2.gz RXKZHYZOBCTGDS-YEPMHUSLSA-N 0 2 518.029 6.777 40 30 KKEBLN Cc1ccc(C)c(/N=C2\SC(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2Cc2ccc3c(c2)OCO3)c1 ZINC000102962319 555178448 /nfs/dbraw/zinc/17/84/48/555178448.db2.gz DOGLEYAQTKALQV-WSLSUNJHSA-N 0 2 590.916 7.153 40 30 KKEBLN Cc1ccc(C)c(/N=C2\S[C@@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2Cc2ccc3c(c2)OCO3)c1 ZINC000102962319 555178449 /nfs/dbraw/zinc/17/84/49/555178449.db2.gz DOGLEYAQTKALQV-WSLSUNJHSA-N 0 2 590.916 7.153 40 30 KKEBLN Cc1ccc(C)c(/N=C2\SC(CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2CCc2ccc(Cl)cc2Cl)c1 ZINC000102962285 555178508 /nfs/dbraw/zinc/17/85/08/555178508.db2.gz CEJXVVIUBTYDKC-SLHQUXRVSA-N 0 2 594.486 7.832 40 30 KKEBLN Cc1ccc(C)c(/N=C2\S[C@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2CCc2ccc(Cl)cc2Cl)c1 ZINC000102962285 555178511 /nfs/dbraw/zinc/17/85/11/555178511.db2.gz CEJXVVIUBTYDKC-SLHQUXRVSA-N 0 2 594.486 7.832 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N\c3cccc(Cl)c3C)N(CCc3ccc(Cl)cc3)C2=O)cc1Cl ZINC000102962475 555178739 /nfs/dbraw/zinc/17/87/39/555178739.db2.gz NZEYIAQYRMIRQT-WSLSUNJHSA-N 0 2 576.933 7.167 40 30 KKEBLN COc1ccc(NC(=O)C[C@@H]2S/C(=N\c3cccc(Cl)c3C)N(CCc3ccc(Cl)cc3)C2=O)cc1Cl ZINC000102962475 555178741 /nfs/dbraw/zinc/17/87/41/555178741.db2.gz NZEYIAQYRMIRQT-WSLSUNJHSA-N 0 2 576.933 7.167 40 30 KKEBLN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC(C)c2ccc3ccccc3c2O)c(C)c1 ZINC000102980417 555187451 /nfs/dbraw/zinc/18/74/51/555187451.db2.gz OJJDTBZPAMUGCV-OVVQPSECSA-N 0 2 504.568 5.707 40 30 KKEBLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2cc(C)n(-c3cccc(C)c3)c2C)cc1 ZINC000102983282 555188836 /nfs/dbraw/zinc/18/88/36/555188836.db2.gz CYUFCOZUFWTFOM-OGLMXYFKSA-N 0 2 533.610 5.566 40 30 KKEBLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2cc(Br)c(O)c(Br)c2)cc1 ZINC000102983333 555189235 /nfs/dbraw/zinc/18/92/35/555189235.db2.gz UOWLZBOKOLFDKY-FOKLQQMPSA-N 0 2 600.245 5.081 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(OCC)ccc3OCC)C2=O)cc(OCC)c1OCc1cccc(C)c1 ZINC000103841906 571362414 /nfs/dbraw/zinc/36/24/14/571362414.db2.gz RGLMFXGNJLWTTL-OVVQPSECSA-N 0 2 584.669 6.165 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000103844516 571362958 /nfs/dbraw/zinc/36/29/58/571362958.db2.gz KIJXCQHGDJHGPV-VTNSRFBWSA-N 0 2 620.721 7.276 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000103844653 571362977 /nfs/dbraw/zinc/36/29/77/571362977.db2.gz XRDROHPUFMIATI-SRZZPIQSSA-N 0 2 606.385 5.060 40 30 KKEBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000103850355 571364495 /nfs/dbraw/zinc/36/44/95/571364495.db2.gz INSDEZSYARBWHK-SRZZPIQSSA-N 0 2 564.367 5.104 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000103850673 571364611 /nfs/dbraw/zinc/36/46/11/571364611.db2.gz ONZKLWCOGFTSLM-WGOQTCKBSA-N 0 2 585.429 6.715 40 30 KKEBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000103859007 571366888 /nfs/dbraw/zinc/36/68/88/571366888.db2.gz HARZQICAQARDMT-LQKURTRISA-N 0 2 595.453 5.974 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000103859551 571367196 /nfs/dbraw/zinc/36/71/96/571367196.db2.gz RYMKTJFMWJUEKI-MTDXEUNCSA-N 0 2 611.492 6.975 40 30 KKEBLN Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)c(I)c(C(O)(C(F)(F)F)C(F)(F)F)c1 ZINC000104233516 571377604 /nfs/dbraw/zinc/37/76/04/571377604.db2.gz KHWTWCQKLDZSTF-UHFFFAOYSA-N 0 2 550.077 5.224 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N/c3ccc(F)cc3)N([C@H](C)CCC(C)C)C2=O)c([N+](=O)[O-])c1 ZINC000105525121 571407264 /nfs/dbraw/zinc/40/72/64/571407264.db2.gz AJOWCRSWERVZHS-GKGNTEIZSA-N 0 2 516.595 5.528 40 30 KKEBLN COc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(F)cc3)N([C@H](C)CCC(C)C)C2=O)c([N+](=O)[O-])c1 ZINC000105525121 571407266 /nfs/dbraw/zinc/40/72/66/571407266.db2.gz AJOWCRSWERVZHS-GKGNTEIZSA-N 0 2 516.595 5.528 40 30 KKEBLN Oc1cc(Br)c(/N=C/c2cc(Br)cc(Br)c2O)c(Br)c1 ZINC000105981708 571409801 /nfs/dbraw/zinc/40/98/01/571409801.db2.gz HVNBWNMIKKAAGY-BLLMUTORSA-N 0 2 528.820 5.898 40 30 KKEBLN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c(O)c(Br)c1 ZINC000147137312 571456713 /nfs/dbraw/zinc/45/67/13/571456713.db2.gz JMISUWAZHVXWNQ-UHFFFAOYSA-N 0 2 523.265 5.890 40 30 KKEBLN Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2cc(I)cc(I)c2O)cc1 ZINC000150380365 571466915 /nfs/dbraw/zinc/46/69/15/571466915.db2.gz BTVJFOFHYDRJCH-FSJBWODESA-N 0 2 618.234 5.461 40 30 KKEBLN CCCCCCCCCCCCCCCCCc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(c2c(C)[nH]n(-c3ccccc3)c2=O)C(=O)N(c2ccccc2)N=C1C ZINC000150382558 571467360 /nfs/dbraw/zinc/46/73/60/571467360.db2.gz AQPRQSHMCOYYFU-GZDQVCINSA-N 0 2 743.009 10.715 40 30 KKEBLN COc1ccc(C(=O)/C=C/c2ccc(OCCCCCCCCCCOc3ccc(/C=C\C(=O)c4ccc(OC)cc4)cc3)cc2)cc1 ZINC000150441031 571498188 /nfs/dbraw/zinc/49/81/88/571498188.db2.gz PBMJSICNGYORIH-CBTGBURPSA-N 0 2 646.824 10.075 40 30 KKEBLN O=[N+]([O-])c1ccc2c(c1)/C(=N\N=C1/c3cc([N+](=O)[O-])ccc3-c3c1cc([N+](=O)[O-])cc3[N+](=O)[O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2 ZINC000150441127 571498189 /nfs/dbraw/zinc/49/81/89/571498189.db2.gz DRNIVEDTEVAGKO-NBHCHVEOSA-N 0 2 626.410 5.387 40 30 KKEBLN COc1ccccc1NS(=O)(=O)c1ccc(N=NCc2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)c(OC)c2)c([N+](=O)[O-])c1 ZINC000150458086 571505282 /nfs/dbraw/zinc/50/52/82/571505282.db2.gz UXTUYTNQZRDUER-DPNNOFEESA-N 0 2 647.710 5.802 40 30 KKEBLN Oc1c(Br)cc(/C=N/c2ccc3nc(Sc4nc(N5CCCCC5)nc(N5CCCCC5)n4)sc3c2)cc1Br ZINC000163446111 571535248 /nfs/dbraw/zinc/53/52/48/571535248.db2.gz NWFWQUNVYPAIGJ-OKCVXOCRSA-N 0 2 689.503 7.594 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000164327373 571545910 /nfs/dbraw/zinc/54/59/10/571545910.db2.gz ZLPGSAHBJBIJFR-WCMJOSRZSA-N 0 2 669.591 8.030 40 30 KKEBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000164461250 571548202 /nfs/dbraw/zinc/54/82/02/571548202.db2.gz LANADQLJPDJNDO-KEBDBYFISA-N 0 2 658.246 5.179 40 30 KKEBLN O=C(CSc1nc2ccc(/N=C/c3cc(Br)c(O)c(Br)c3)cc2s1)Nc1ccccc1[N+](=O)[O-] ZINC000164705659 571550536 /nfs/dbraw/zinc/55/05/36/571550536.db2.gz LFIRTXGAQHRVDD-KIBLKLHPSA-N 0 2 622.320 6.917 40 30 KKEBLN Cc1ccc(N=Nc2ccc(NC=C3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2)cc1 ZINC000408531950 572177989 /nfs/dbraw/zinc/17/79/89/572177989.db2.gz HPSONBCLHGNCTQ-HUWWCRDESA-N 0 2 504.344 5.774 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OC ZINC000408536859 572192691 /nfs/dbraw/zinc/19/26/91/572192691.db2.gz BLNAUIKMIVJBLA-ZHZULCJRSA-N 0 2 545.430 5.569 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1Br ZINC000408537194 572193740 /nfs/dbraw/zinc/19/37/40/572193740.db2.gz COVZFIVDWLGJCA-XSFVSMFZSA-N 0 2 608.327 6.626 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Cl ZINC000408538487 572198511 /nfs/dbraw/zinc/19/85/11/572198511.db2.gz NTLGXIUSHQVCKK-UYRXBGFRSA-N 0 2 505.398 6.105 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OCC ZINC000408538466 572198802 /nfs/dbraw/zinc/19/88/02/572198802.db2.gz NGZXEPWVALCBNJ-QNGOZBTKSA-N 0 2 515.006 5.850 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br ZINC000408539172 572200890 /nfs/dbraw/zinc/20/08/90/572200890.db2.gz UNIKVVUEKDEREW-BOPFTXTBSA-N 0 2 647.191 7.924 40 30 KKEBLN CCCCCCCCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000408539813 572203429 /nfs/dbraw/zinc/20/34/29/572203429.db2.gz ZCLHKPLWDBLVJE-PGMHBOJBSA-N 0 2 544.402 5.763 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1Cl ZINC000408539861 572203863 /nfs/dbraw/zinc/20/38/63/572203863.db2.gz KEODVVIETJDXMN-AQTBWJFISA-N 0 2 537.871 7.361 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000408540486 572205825 /nfs/dbraw/zinc/20/58/25/572205825.db2.gz SKJSPHIWVMHEFB-DEDYPNTBSA-N 0 2 563.876 6.517 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCCC)c(OCC)c3)C2=O)cc1OC ZINC000408541124 572207743 /nfs/dbraw/zinc/20/77/43/572207743.db2.gz XWUICWCXEIYBHU-HAVVHWLPSA-N 0 2 631.564 7.051 40 30 KKEBLN C=CCOc1ccc(C(c2c(C)[nH]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1OC ZINC000108423320 1069720405 /nfs/dbraw/zinc/72/04/05/1069720405.db2.gz VRPUKKHYTOKLGY-UHFFFAOYSA-N 0 2 522.605 5.840 40 30 KKEBLN COc1cccc(C(c2c(C)[nH]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)c1OCC#N ZINC000108423455 1069722153 /nfs/dbraw/zinc/72/21/53/1069722153.db2.gz BNLKTAPNOBZFHR-UHFFFAOYSA-N 0 2 521.577 5.177 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408775831 1069880743 /nfs/dbraw/zinc/88/07/43/1069880743.db2.gz KFSKGMUQGAYEAE-CIAFOILYSA-N 0 2 600.296 7.038 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408773978 1069888669 /nfs/dbraw/zinc/88/86/69/1069888669.db2.gz NMFIQYIFKRBKEG-HYARGMPZSA-N 0 2 549.396 5.871 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408774072 1069888730 /nfs/dbraw/zinc/88/87/30/1069888730.db2.gz AFETVXVRQCTZMM-HYARGMPZSA-N 0 2 565.851 6.385 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408782646 1069907514 /nfs/dbraw/zinc/90/75/14/1069907514.db2.gz ILEYASDKVMBSBW-HZHRSRAPSA-N 0 2 517.925 5.222 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408784814 1069912206 /nfs/dbraw/zinc/91/22/06/1069912206.db2.gz VLLWVYMDMDLJNH-HYARGMPZSA-N 0 2 551.824 6.076 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000408786446 1069921646 /nfs/dbraw/zinc/92/16/46/1069921646.db2.gz KAXFLVJZVDACNB-MFKUBSTISA-N 0 2 514.553 5.425 40 30 KKEBLN C#CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OCC ZINC000408804165 1069949284 /nfs/dbraw/zinc/94/92/84/1069949284.db2.gz CRFVTHNGZUSDAR-HZHRSRAPSA-N 0 2 575.415 5.105 40 30 KKEBLN C#CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1OCC ZINC000408822465 1069983691 /nfs/dbraw/zinc/98/36/91/1069983691.db2.gz CBFIEYPAEVJOCL-OEAKJJBVSA-N 0 2 701.311 5.710 40 30 KKEBLN C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc1OCC ZINC000408823971 1069989799 /nfs/dbraw/zinc/98/97/99/1069989799.db2.gz GCYBTBOMGICXJL-JNLVJSROSA-N 0 2 672.181 7.295 40 30 KKEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1OCC ZINC000408822058 1070000868 /nfs/dbraw/zinc/00/08/68/1070000868.db2.gz BBVJBYNSCHCBOS-OEAKJJBVSA-N 0 2 611.876 6.311 40 30 KKEBLN C=CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)cc1OC ZINC000408827361 1070006132 /nfs/dbraw/zinc/00/61/32/1070006132.db2.gz CSYCICYVBYXAAQ-VSXUNDGWSA-N 0 2 704.621 7.567 40 30 KKEBLN C#CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1OC ZINC000408834784 1070035260 /nfs/dbraw/zinc/03/52/60/1070035260.db2.gz VIUDGPKCAWROSJ-SRZZPIQSSA-N 0 2 630.278 6.022 40 30 KKEBLN C=CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccc(Br)cc3)cc2)C1=O ZINC000408835728 1070038615 /nfs/dbraw/zinc/03/86/15/1070038615.db2.gz XVNVSSVXGUPXNN-HZHRSRAPSA-N 0 2 612.274 6.022 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000408857193 1070067425 /nfs/dbraw/zinc/06/74/25/1070067425.db2.gz SKNOMMPWQHYWRR-WGOQTCKBSA-N 0 2 528.580 5.815 40 30 KKEBLN Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cc(Br)c(O)c(Br)c2)S1 ZINC000408872642 1070098071 /nfs/dbraw/zinc/09/80/71/1070098071.db2.gz IAYRIBAQTGGVAT-NSIKDUERSA-N 0 2 502.615 5.771 40 30 KKEBLN CC[C@@H](C)N1C(=O)/C(=C\c2cc(Br)c(O)c(Br)c2)S/C1=N\c1ccc(C)cc1 ZINC000408913255 1070191834 /nfs/dbraw/zinc/19/18/34/1070191834.db2.gz PQLFPELYKBHHLQ-NJYDWCNVSA-N 0 2 524.278 6.628 40 30 KKEBLN C=CCn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c2ccccc21 ZINC000408952614 1070314884 /nfs/dbraw/zinc/31/48/84/1070314884.db2.gz OMBDQVGAKKXNIO-JFLMPSFJSA-N 0 2 505.618 5.962 40 30 KKEBLN Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\SC(=Nc3ccccc3)N(CCC[NH+]3CCOCC3)C2=O)o1 ZINC000408960167 1070323029 /nfs/dbraw/zinc/32/30/29/1070323029.db2.gz CXHVMNYOBLGGJR-ZSBARMHISA-N 0 2 531.634 5.280 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408985281 1070345720 /nfs/dbraw/zinc/34/57/20/1070345720.db2.gz WGWXLIFPQNIGDP-UUYOSTAYSA-N 0 2 600.296 7.038 40 30 KKEBLN C#CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000409041933 1070445923 /nfs/dbraw/zinc/44/59/23/1070445923.db2.gz LCXSAZBQMWQKFX-HYARGMPZSA-N 0 2 610.258 5.469 40 30 KKEBLN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3cc(Br)cc(I)c3O)sc2C1 ZINC000409056222 1070468719 /nfs/dbraw/zinc/46/87/19/1070468719.db2.gz FTCAMMVVPLDJGD-ZCUUTASWSA-N 0 2 543.268 6.594 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409065972 1070482635 /nfs/dbraw/zinc/48/26/35/1070482635.db2.gz OEFHZLGRLAGHHR-XQNSMLJCSA-N 0 2 595.073 5.518 40 30 KKEBLN CCOC(=O)c1cc(-c2ccc(C=N[N-]c3nc(Nc4ccccc4)nc(N4CCCCC4)[nH+]3)o2)ccc1Cl ZINC000409194356 1070612726 /nfs/dbraw/zinc/61/27/26/1070612726.db2.gz KJMSTIMUUIGJJG-UXHLAJHPSA-N 0 2 546.031 5.564 40 30 KKEBLN CCc1nnc(C2=C(O)C(=Cc3c(C)n(Cc4ccc(Cl)cc4Cl)c4ccccc34)SC2=N)s1 ZINC000409333949 1070839724 /nfs/dbraw/zinc/83/97/24/1070839724.db2.gz GHTMKVNSYSNVPQ-NTSYAULNSA-N 0 2 527.502 7.137 40 30 KKEBLN CCN1C(=O)/C(=C\c2cc(Br)c(O)c(Br)c2)S/C1=N\c1c(C)cccc1C ZINC000408907597 1070989764 /nfs/dbraw/zinc/98/97/64/1070989764.db2.gz NXGJAJFOUALZPR-XFNLHSONSA-N 0 2 510.251 6.158 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(OC)c1OCc1ccc2ccccc2c1 ZINC000408912422 1071024582 /nfs/dbraw/zinc/02/45/82/1071024582.db2.gz QRURDACCRJVYKU-JVWAILMASA-N 0 2 536.559 5.961 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000408949658 1071359773 /nfs/dbraw/zinc/35/97/73/1071359773.db2.gz IPNDOJKEEHYQTJ-FDALDRLYSA-N 0 2 666.818 8.680 40 30 KKEBLN C#CCOc1c(CC=C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OCC ZINC000408955951 1071382335 /nfs/dbraw/zinc/38/23/35/1071382335.db2.gz VIYDJTIUHHAWID-STBIYBPSSA-N 0 2 564.682 5.960 40 30 KKEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OCC ZINC000408954606 1071390839 /nfs/dbraw/zinc/39/08/39/1071390839.db2.gz RXGJRKROFFROQB-CVKSISIWSA-N 0 2 524.617 5.232 40 30 KKEBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1ccccc1C#N ZINC000408953295 1071397534 /nfs/dbraw/zinc/39/75/34/1071397534.db2.gz PNZPWKZFXFQQCW-WCMJOSRZSA-N 0 2 601.703 6.670 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408984689 1071507661 /nfs/dbraw/zinc/50/76/61/1071507661.db2.gz SOFWYMRUCZTBQL-JLPGSUDCSA-N 0 2 545.433 5.985 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408983452 1071516715 /nfs/dbraw/zinc/51/67/15/1071516715.db2.gz MFJGHGGBYAOPOC-QRVIBDJDSA-N 0 2 614.323 7.292 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc2c(c1)OCO2 ZINC000408981441 1071534344 /nfs/dbraw/zinc/53/43/44/1071534344.db2.gz BHTNJOKKQRBELR-UUYOSTAYSA-N 0 2 530.964 5.351 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000408992586 1071572096 /nfs/dbraw/zinc/57/20/96/1071572096.db2.gz UFIYMYCBCGJVED-COEJQBHMSA-N 0 2 560.650 6.775 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000408990578 1071587284 /nfs/dbraw/zinc/58/72/84/1071587284.db2.gz OECLANQCLXQMMN-JJFYIABZSA-N 0 2 585.871 6.938 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1ccccc1F ZINC000408988310 1071606219 /nfs/dbraw/zinc/60/62/19/1071606219.db2.gz HPNUAVQXYRTXHX-JLPGSUDCSA-N 0 2 514.553 5.371 40 30 KKEBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3C#N)C2=O)cc1Cl ZINC000408988077 1071609205 /nfs/dbraw/zinc/60/92/05/1071609205.db2.gz GUOAUBVROOAXHN-NHDPSOOVSA-N 0 2 550.796 5.528 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000408987491 1071613411 /nfs/dbraw/zinc/61/34/11/1071613411.db2.gz OWNKUCHYTXAXPX-ITYLOYPMSA-N 0 2 510.590 5.622 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408752449 1071663764 /nfs/dbraw/zinc/66/37/64/1071663764.db2.gz ARTRNPYWNWILLY-LPYMAVHISA-N 0 2 600.296 7.038 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408760711 1071695772 /nfs/dbraw/zinc/69/57/72/1071695772.db2.gz DPKFDIWHZVNBJW-HZHRSRAPSA-N 0 2 657.302 6.336 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000408760558 1071696438 /nfs/dbraw/zinc/69/64/38/1071696438.db2.gz AUBVXFCCRJPCNE-WPWMEQJKSA-N 0 2 611.492 6.893 40 30 KKEBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1sc(C)c(C)c1C#N ZINC000408757525 1071712554 /nfs/dbraw/zinc/71/25/54/1071712554.db2.gz ZESWSHGOLMCQQH-VXLYETTFSA-N 0 2 537.439 5.381 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccccc1Cl ZINC000408761799 1071738166 /nfs/dbraw/zinc/73/81/66/1071738166.db2.gz HRQACTZFQYYYGZ-PXLXIMEGSA-N 0 2 565.851 6.385 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000408776082 1071751857 /nfs/dbraw/zinc/75/18/57/1071751857.db2.gz UACMSEMHHGYGCR-OVVQPSECSA-N 0 2 522.988 6.467 40 30 KKEBLN C=CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1OC ZINC000408776622 1071749013 /nfs/dbraw/zinc/74/90/13/1071749013.db2.gz XMSMNWFJDFTHQA-NTUHNPAUSA-N 0 2 559.722 5.361 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 ZINC000408776434 1071749419 /nfs/dbraw/zinc/74/94/19/1071749419.db2.gz OSWHMJUQSUUKQZ-WSDLNYQXSA-N 0 2 575.415 5.460 40 30 KKEBLN CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c(O)c(Br)c1 ZINC000409034993 1071754965 /nfs/dbraw/zinc/75/49/65/1071754965.db2.gz OVQORALNJFRBPK-UHFFFAOYSA-N 0 2 613.390 7.803 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000408775411 1071754996 /nfs/dbraw/zinc/75/49/96/1071754996.db2.gz GNVHVHWMIKQXLE-NDZAJKAJSA-N 0 2 560.650 6.829 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000408774688 1071759452 /nfs/dbraw/zinc/75/94/52/1071759452.db2.gz QDRBFMXYUBWKGG-VUTHCHCSSA-N 0 2 516.597 6.431 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000408774005 1071764603 /nfs/dbraw/zinc/76/46/03/1071764603.db2.gz NSBWESLIVZSPLP-VUTHCHCSSA-N 0 2 546.623 6.521 40 30 KKEBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCc4ccccc4C#N)c(Cl)c3)C2=O)cc1 ZINC000408772277 1071775725 /nfs/dbraw/zinc/77/57/25/1071775725.db2.gz NOFSKKGZKHHHDB-KEBDBYFISA-N 0 2 506.345 5.419 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OCc1ccccc1F ZINC000408771355 1071781294 /nfs/dbraw/zinc/78/12/94/1071781294.db2.gz HLQOELYDRJFLOU-BUVRLJJBSA-N 0 2 514.553 5.425 40 30 KKEBLN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Br)c(O)c(Br)c3)cc21 ZINC000409278483 1071804495 /nfs/dbraw/zinc/80/44/95/1071804495.db2.gz DHWNZEMWZVOXNQ-UHFFFAOYSA-N 0 2 569.209 5.931 40 30 KKEBLN CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)c(O)c(Br)c2)C2=C1CC(C)(C)CC2=O ZINC000409029495 1071808467 /nfs/dbraw/zinc/80/84/67/1071808467.db2.gz AJGCTZBQVDMSHA-UHFFFAOYSA-N 0 2 565.346 7.013 40 30 KKEBLN CCCCCCCCOc1ccc(/C=N/c2nc3c(s2)Cc2c-3c(OC)ccc2Br)cc1 ZINC000409046025 1071837129 /nfs/dbraw/zinc/83/71/29/1071837129.db2.gz HXXRGGLXRJDODH-OGLMXYFKSA-N 0 2 513.501 7.975 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408784725 1071861337 /nfs/dbraw/zinc/86/13/37/1071861337.db2.gz SEEXMYBMKLKHOO-VUTHCHCSSA-N 0 2 516.597 6.431 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000408783270 1071871035 /nfs/dbraw/zinc/87/10/35/1071871035.db2.gz NJXLGZRSYUWPRQ-BUVRLJJBSA-N 0 2 500.526 5.117 40 30 KKEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl ZINC000409057540 1071993044 /nfs/dbraw/zinc/99/30/44/1071993044.db2.gz PTVRJNFSDPTQOZ-FYJGNVAPSA-N 0 2 523.372 5.804 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000409065070 1071995811 /nfs/dbraw/zinc/99/58/11/1071995811.db2.gz FYCRSZORPHPOMV-LFVJCYFKSA-N 0 2 530.552 5.207 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000409066107 1072004731 /nfs/dbraw/zinc/00/47/31/1072004731.db2.gz LSBCBVMAWKZQAD-LPYMAVHISA-N 0 2 569.416 6.505 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1OCc1cccc(F)c1 ZINC000409073534 1072073923 /nfs/dbraw/zinc/07/39/23/1072073923.db2.gz QCDXWGNYEDSKCA-CIAFOILYSA-N 0 2 555.389 6.115 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000409073352 1072076954 /nfs/dbraw/zinc/07/69/54/1072076954.db2.gz HBMWBGIANTWFKO-MFKUBSTISA-N 0 2 595.479 6.765 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409073074 1072077010 /nfs/dbraw/zinc/07/70/10/1072077010.db2.gz XBSWTRQZVNRRJC-BUVRLJJBSA-N 0 2 534.971 5.852 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409072869 1072079865 /nfs/dbraw/zinc/07/98/65/1072079865.db2.gz FBJSXBSTLIMVTJ-NJZRLIGZSA-N 0 2 652.725 6.135 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000409072291 1072084514 /nfs/dbraw/zinc/08/45/14/1072084514.db2.gz USYGZEQBDJFKDZ-LPYMAVHISA-N 0 2 547.951 5.231 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000409072477 1072083689 /nfs/dbraw/zinc/08/36/89/1072083689.db2.gz NQBZYRLURRIZNN-YDZHTSKRSA-N 0 2 534.971 5.770 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000409070656 1072093986 /nfs/dbraw/zinc/09/39/86/1072093986.db2.gz OGNLHABDIARHKT-YDZHTSKRSA-N 0 2 595.877 6.393 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409069335 1072104262 /nfs/dbraw/zinc/10/42/62/1072104262.db2.gz INGMHGXIGKXISJ-YDZHTSKRSA-N 0 2 551.426 6.284 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000409068927 1072107882 /nfs/dbraw/zinc/10/78/82/1072107882.db2.gz KLHHJQANGNAKLU-FYJGNVAPSA-N 0 2 585.871 7.019 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409083414 1072202132 /nfs/dbraw/zinc/20/21/32/1072202132.db2.gz VHSGKDSMTLHCOD-UDWIEESQSA-N 0 2 583.475 5.515 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409087508 1072308993 /nfs/dbraw/zinc/30/89/93/1072308993.db2.gz ZBBJEARVWFMLST-YBFXNURJSA-N 0 2 627.393 6.396 40 30 KKEBLN CCc1nnc(C2=C(O)C(=Cc3c(C)n(Cc4ccc(Cl)cc4Cl)c4ccccc34)SC2=N)s1 ZINC000409333953 1072350737 /nfs/dbraw/zinc/35/07/37/1072350737.db2.gz GHTMKVNSYSNVPQ-PTLAJMPYSA-N 0 2 527.502 7.137 40 30 KKEBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000409107380 1072413653 /nfs/dbraw/zinc/41/36/53/1072413653.db2.gz RJIBHMKRCICCDB-MFKUBSTISA-N 0 2 585.447 6.518 40 30 KKEBLN CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)ccc1OCc1ccc(Cl)cc1 ZINC000409337643 1072492266 /nfs/dbraw/zinc/49/22/66/1072492266.db2.gz WZLSVXCNUJPCKX-XRSHBMEUSA-N 0 2 500.045 6.149 40 30 KKEBLN CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)ccc1OCc1c(C)cc(C)cc1C ZINC000409337673 1072492771 /nfs/dbraw/zinc/49/27/71/1072492771.db2.gz XQWLLOOFLNIZPB-SXIRRZTFSA-N 0 2 507.681 6.421 40 30 KKEBLN C#CCOc1ccc([N+](=O)[O-])cc1CC(c1c(=O)[nH][nH]c1-c1ccc(C)cc1)c1c(=O)[nH][nH]c1-c1ccc(C)cc1 ZINC000409368603 1072663652 /nfs/dbraw/zinc/66/36/52/1072663652.db2.gz DPENYHLQNIAIML-UHFFFAOYSA-N 0 2 549.587 5.790 40 30 KKEBLN Cc1ccc(-c2[nH][nH]c(=O)c2C(c2cn(Cc3ccccc3C#N)c3ccccc23)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409367993 1072666680 /nfs/dbraw/zinc/66/66/80/1072666680.db2.gz PJZDROJSXQSDSL-UHFFFAOYSA-N 0 2 590.687 7.550 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408851796 195491378 /nfs/dbraw/zinc/49/13/78/195491378.db2.gz GGKYPPUNQXVPGK-PCLIKHOPSA-N 0 2 511.534 5.186 40 30 KKEBLN COC(=O)c1c2c(sc1NC(=O)C[C@H]1S/C(=N/c3ccccc3)N(c3ccccc3)C1=O)CCCC2 ZINC000001793172 551702222 /nfs/dbraw/zinc/70/22/22/551702222.db2.gz BJYWUQQZKAREHD-ILOQVAKNSA-N 0 2 519.648 5.578 40 30 KKEBLN Cc1ccc2nc(-c3ccc(/N=C/c4cc(Cl)cc(I)c4O)cc3O)oc2c1 ZINC000003184692 552301142 /nfs/dbraw/zinc/30/11/42/552301142.db2.gz LTKIBVQVYSGERF-YSURURNPSA-N 0 2 504.711 6.223 40 30 KKEBLN Cc1ccc(C)c(/N=C2/SC(CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2Cc2ccc3c(c2)OCO3)c1 ZINC000003340986 552363001 /nfs/dbraw/zinc/36/30/01/552363001.db2.gz YUHCSDHXLFZPQX-ZIBPCXBESA-N 0 2 555.578 6.211 40 30 KKEBLN Cc1ccc(C)c(/N=C2/S[C@@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2Cc2ccc3c(c2)OCO3)c1 ZINC000003340986 552363004 /nfs/dbraw/zinc/36/30/04/552363004.db2.gz YUHCSDHXLFZPQX-ZIBPCXBESA-N 0 2 555.578 6.211 40 30 KKEBLN CCOc1ccc(N=C2SC(CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000006266080 552575423 /nfs/dbraw/zinc/57/54/23/552575423.db2.gz SMQYXBRAPJTKSA-LWPYMBBZSA-N 0 2 545.617 5.177 40 30 KKEBLN CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000006266080 552575429 /nfs/dbraw/zinc/57/54/29/552575429.db2.gz SMQYXBRAPJTKSA-LWPYMBBZSA-N 0 2 545.617 5.177 40 30 KKEBLN CCCCCOc1ccc(CN=Nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[N+](=O)[O-])cc1 ZINC000012496170 553381851 /nfs/dbraw/zinc/38/18/51/553381851.db2.gz VUEVSNSXWMQNRO-NLRVBDNBSA-N 0 2 512.588 5.419 40 30 KKEBLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC(C)c2ccc(Cl)c(Cl)c2)cc1 ZINC000012621748 553403708 /nfs/dbraw/zinc/40/37/08/553403708.db2.gz LVHSNKUFTPKDSR-ZMOGYAJESA-N 0 2 509.371 5.547 40 30 KKEBLN O=C([O-])c1ccc(/[NH+]=C2/C=CC3=N[C@@]45CCCC[C@@H]4[C@@H](c4ccccc4)C=C(c4ccccc4)N5C3=C2)cc1 ZINC000013511736 553467559 /nfs/dbraw/zinc/46/75/59/553467559.db2.gz JWJQKUXXLPEPJD-FZFDLTPWSA-N 0 2 511.625 7.393 40 30 KKEBLN CCOc1ccccc1/N=C1\SC(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1[C@@H](C)C(C)C ZINC000015911812 553541467 /nfs/dbraw/zinc/54/14/67/553541467.db2.gz YTQQSZLODSIQIQ-GVYUIGFZSA-N 0 2 519.023 5.652 40 30 KKEBLN CCOc1ccccc1/N=C1\S[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1[C@@H](C)C(C)C ZINC000015911812 553541468 /nfs/dbraw/zinc/54/14/68/553541468.db2.gz YTQQSZLODSIQIQ-GVYUIGFZSA-N 0 2 519.023 5.652 40 30 KKEBLN CCOc1ccccc1/N=C1\SC(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1C1CCCC1 ZINC000016035464 553552000 /nfs/dbraw/zinc/55/20/00/553552000.db2.gz VTBVUDPXOCOMAU-AQTDBHCXSA-N 0 2 517.007 5.550 40 30 KKEBLN CCOc1ccccc1/N=C1\S[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1C1CCCC1 ZINC000016035464 553552001 /nfs/dbraw/zinc/55/20/01/553552001.db2.gz VTBVUDPXOCOMAU-AQTDBHCXSA-N 0 2 517.007 5.550 40 30 KKEBLN Oc1ccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Cl)c2O)cc1-c1nc2ccccc2s1 ZINC000016450150 553565088 /nfs/dbraw/zinc/56/50/88/553565088.db2.gz ZNXVQGDWGMIRNK-FJEPWZHXSA-N 0 2 505.426 8.023 40 30 KKEBLN COc1ccccc1[C@H](C#N)N1CCCN([C@@H](C#N)c2ccccc2OC)C1c1cc(Cl)cc(Cl)c1O ZINC000019326029 553613479 /nfs/dbraw/zinc/61/34/79/553613479.db2.gz HBZPDFHHUQKGPV-ZEQRLZLVSA-N 0 2 537.447 6.252 40 30 KKEBLN Cc1ccc(C)c(/N=C2/SC(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000096022022 553718881 /nfs/dbraw/zinc/71/88/81/553718881.db2.gz SDJBEXBCXURJTL-OJMUHODLSA-N 0 2 540.900 6.403 40 30 KKEBLN Cc1ccc(C)c(/N=C2/S[C@@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000096022022 553718883 /nfs/dbraw/zinc/71/88/83/553718883.db2.gz SDJBEXBCXURJTL-OJMUHODLSA-N 0 2 540.900 6.403 40 30 KKEBLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC1C[C@H](c2ccccc2)Oc2ccccc21 ZINC000096022322 553720777 /nfs/dbraw/zinc/72/07/77/553720777.db2.gz JYOFLZLSAHBBGN-LZHZFTAVSA-N 0 2 544.589 5.744 40 30 KKEBLN CC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1)c1ccccc1OC(F)F ZINC000096398872 553753271 /nfs/dbraw/zinc/75/32/71/553753271.db2.gz CKEDYJDTKXAJHG-MXAYSNPKSA-N 0 2 510.906 5.487 40 30 KKEBLN CCOc1ccc(/N=C2/SC(CC(=O)Nc3ccc(Oc4ccccc4)cc3)C(=O)N2C2CC2)cc1 ZINC000096400520 553753685 /nfs/dbraw/zinc/75/36/85/553753685.db2.gz UIGLNSXGZKQCSX-YWFCIECYSA-N 0 2 501.608 6.000 40 30 KKEBLN CCC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC)c1ccc(OC(F)F)cc1 ZINC000033897511 553976078 /nfs/dbraw/zinc/97/60/78/553976078.db2.gz DUYXJIHYMFOAJO-ITYLOYPMSA-N 0 2 520.514 5.232 40 30 KKEBLN CC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000097980703 553990700 /nfs/dbraw/zinc/99/07/00/553990700.db2.gz UEXANLCMHOTNNY-QRVIBDJDSA-N 0 2 523.796 5.648 40 30 KKEBLN Cc1ccc(C)c(/N=C2/SC(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2Cc2ccco2)c1 ZINC000097982011 553998827 /nfs/dbraw/zinc/99/88/27/553998827.db2.gz BHHVOLLTHVUNSL-HJPNYLADSA-N 0 2 536.868 7.017 40 30 KKEBLN Cc1ccc(C)c(/N=C2/S[C@@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2Cc2ccco2)c1 ZINC000097982011 553998832 /nfs/dbraw/zinc/99/88/32/553998832.db2.gz BHHVOLLTHVUNSL-HJPNYLADSA-N 0 2 536.868 7.017 40 30 KKEBLN Cc1ccc(C)c(/N=C2/SC(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2C[C@H]2CCCO2)c1 ZINC000097982013 553998921 /nfs/dbraw/zinc/99/89/21/553998921.db2.gz SDJBEXBCXURJTL-ZQTPYEMOSA-N 0 2 540.900 6.403 40 30 KKEBLN Cc1ccc(C)c(/N=C2/S[C@@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2C[C@H]2CCCO2)c1 ZINC000097982013 553998923 /nfs/dbraw/zinc/99/89/23/553998923.db2.gz SDJBEXBCXURJTL-ZQTPYEMOSA-N 0 2 540.900 6.403 40 30 KKEBLN Cc1ccc(NC(=O)CC2S/C(=N\c3ccc(OC(F)F)cc3)N([C@H](C)CCC(C)C)C2=O)c([N+](=O)[O-])c1 ZINC000097982041 553999100 /nfs/dbraw/zinc/99/91/00/553999100.db2.gz KNXVOFOQNUXTSD-PXYXHNFMSA-N 0 2 548.612 6.290 40 30 KKEBLN Cc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccc(OC(F)F)cc3)N([C@H](C)CCC(C)C)C2=O)c([N+](=O)[O-])c1 ZINC000097982041 553999103 /nfs/dbraw/zinc/99/91/03/553999103.db2.gz KNXVOFOQNUXTSD-PXYXHNFMSA-N 0 2 548.612 6.290 40 30 KKEBLN CCOc1ccccc1/N=C1/SC(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C(=O)N1[C@@H](C)CCC(C)C ZINC000097982081 553999455 /nfs/dbraw/zinc/99/94/55/553999455.db2.gz TZIIHMJTDLMWJV-NVPYYBGPSA-N 0 2 542.658 5.787 40 30 KKEBLN CCOc1ccccc1/N=C1/S[C@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C(=O)N1[C@@H](C)CCC(C)C ZINC000097982081 553999460 /nfs/dbraw/zinc/99/94/60/553999460.db2.gz TZIIHMJTDLMWJV-NVPYYBGPSA-N 0 2 542.658 5.787 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N/c3cccc4ccccc43)N(CCC3=CCCCC3)C2=O)cc1OC ZINC000097982114 553999956 /nfs/dbraw/zinc/99/99/56/553999956.db2.gz YKIUHBUGRIRVSI-RGTMHUHBSA-N 0 2 543.689 6.708 40 30 KKEBLN COc1ccc(NC(=O)C[C@H]2S/C(=N/c3cccc4ccccc43)N(CCC3=CCCCC3)C2=O)cc1OC ZINC000097982114 553999958 /nfs/dbraw/zinc/99/99/58/553999958.db2.gz YKIUHBUGRIRVSI-RGTMHUHBSA-N 0 2 543.689 6.708 40 30 KKEBLN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000035147531 554036117 /nfs/dbraw/zinc/03/61/17/554036117.db2.gz ULXXFXASJHLGHZ-SANMLTNESA-N 0 2 511.534 5.296 40 30 KKEBLN Cc1ccc2oc(-c3cc(/N=C/c4ccc(OC(=O)c5ccc(Cl)cc5Cl)cc4)ccc3O)nc2c1 ZINC000100133674 554226169 /nfs/dbraw/zinc/22/61/69/554226169.db2.gz IFRNUGRGKMCVDC-IBBHUPRXSA-N 0 2 517.368 7.785 40 30 KKEBLN Cc1ccc2nc(-c3cc(N=Cc4ccc(C=Nc5ccc(O)c(-c6nc7ccc(C)cc7[nH]6)c5)cc4)ccc3O)[nH]c2c1 ZINC000050862167 554328329 /nfs/dbraw/zinc/32/83/29/554328329.db2.gz VURIOPJSEUCODX-RIOOQTRLSA-N 0 2 576.660 8.302 40 30 KKEBLN Cc1ccc(NC(=O)CC2S/C(=N/N=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)NC2=O)c(C)c1 ZINC000053389135 554348358 /nfs/dbraw/zinc/34/83/58/554348358.db2.gz PZDXNNNMKNNRAX-KWCFBIRBSA-N 0 2 525.974 5.075 40 30 KKEBLN Cc1ccc(NC(=O)C[C@H]2S/C(=N/N=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)NC2=O)c(C)c1 ZINC000053389135 554348362 /nfs/dbraw/zinc/34/83/62/554348362.db2.gz PZDXNNNMKNNRAX-KWCFBIRBSA-N 0 2 525.974 5.075 40 30 KKEBLN C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000059135030 554381250 /nfs/dbraw/zinc/38/12/50/554381250.db2.gz WYPMZXLGWWGAAA-OEAKJJBVSA-N 0 2 520.944 6.302 40 30 KKEBLN C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1ccccc1C#N ZINC000059135588 554381475 /nfs/dbraw/zinc/38/14/75/554381475.db2.gz NKCPYZDLJPRLEO-ZVHZXABRSA-N 0 2 511.509 5.520 40 30 KKEBLN C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OCc1cccc(C)c1 ZINC000059135613 554381554 /nfs/dbraw/zinc/38/15/54/554381554.db2.gz MCFCWZBGZIQARD-PCLIKHOPSA-N 0 2 514.553 5.711 40 30 KKEBLN C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000059135606 554381612 /nfs/dbraw/zinc/38/16/12/554381612.db2.gz ZGDXSXFVULWUCC-HZHRSRAPSA-N 0 2 518.516 6.178 40 30 KKEBLN O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc3nc(Sc4nc(Nc5ccccc5)nc(Nc5ccccc5)n4)sc3c2)c1 ZINC000100457461 554397014 /nfs/dbraw/zinc/39/70/14/554397014.db2.gz HPYCUPXYQDBOLR-OCSSWDANSA-N 0 2 592.666 7.484 40 30 KKEBLN COc1ccc(-c2nc3cc(/N=C/c4cc(Cc5ccccc5Cl)cc([N+](=O)[O-])c4O)ccc3o2)cc1Br ZINC000100958269 554541146 /nfs/dbraw/zinc/54/11/46/554541146.db2.gz ORDZDWSDAFAJNN-IBBHUPRXSA-N 0 2 592.833 7.875 40 30 KKEBLN O=C(C[C@H]1S/C(=N/S(=O)(=O)c2ccc(Br)cc2)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000100972939 554545016 /nfs/dbraw/zinc/54/50/16/554545016.db2.gz CVKNTQXEDNLPCA-NUIVBQGBSA-N 0 2 578.897 5.325 40 30 KKEBLN C=CCSc1nnc2c(n1)O[C@@H](c1cc(Br)c(O)c(Br)c1)Nc1ccccc1-2 ZINC000101002556 554553105 /nfs/dbraw/zinc/55/31/05/554553105.db2.gz MTFVTQLTDYGYSG-KRWDZBQOSA-N 0 2 522.222 5.550 40 30 KKEBLN O=C(CC1S/C(=N/S(=O)(=O)c2ccc(Cl)cc2)N(C2CCCCC2)C1=O)Nc1ccc(Cl)cc1 ZINC000101042499 554567772 /nfs/dbraw/zinc/56/77/72/554567772.db2.gz LOBUSZDETCLTLO-NUIVBQGBSA-N 0 2 540.494 5.344 40 30 KKEBLN COc1ccc(OC)c(NC(=O)CC2S/C(=N\c3ccc(F)cc3)N(CCC3=CCCCC3)C2=O)c1 ZINC000101473808 554781991 /nfs/dbraw/zinc/78/19/91/554781991.db2.gz MVPKXYGNXZGEIT-MLNTVTBVSA-N 0 2 511.619 5.694 40 30 KKEBLN COc1ccc(OC)c(NC(=O)C[C@H]2S/C(=N\c3ccc(F)cc3)N(CCC3=CCCCC3)C2=O)c1 ZINC000101473808 554781994 /nfs/dbraw/zinc/78/19/94/554781994.db2.gz MVPKXYGNXZGEIT-MLNTVTBVSA-N 0 2 511.619 5.694 40 30 KKEBLN N#C[C@@H](C(N)=O)[C@@H](c1c(-c2ccccc2)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O)c1ccc(Br)cc1 ZINC000102134769 554887487 /nfs/dbraw/zinc/88/74/87/554887487.db2.gz PNWGDFJSFHZKND-NHTMILBNSA-N 0 2 570.472 5.349 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N2CCc2ccccc2)cc1 ZINC000102406098 554920832 /nfs/dbraw/zinc/92/08/32/554920832.db2.gz AXAZJOMEDNWJLY-KOHVVVGESA-N 0 2 570.498 6.373 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@@H](CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N2CCc2ccccc2)cc1 ZINC000102406098 554920834 /nfs/dbraw/zinc/92/08/34/554920834.db2.gz AXAZJOMEDNWJLY-KOHVVVGESA-N 0 2 570.498 6.373 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2/SC(CC(=O)Nc3cccc(OCC)c3)C(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000102407983 554922570 /nfs/dbraw/zinc/92/25/70/554922570.db2.gz CFEHJOFVKUQEML-PMDOSHTGSA-N 0 2 566.079 6.076 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2/S[C@H](CC(=O)Nc3cccc(OCC)c3)C(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000102407983 554922571 /nfs/dbraw/zinc/92/25/71/554922571.db2.gz CFEHJOFVKUQEML-PMDOSHTGSA-N 0 2 566.079 6.076 40 30 KKEBLN CCCCCCOc1ccc(NC(=O)CC2S/C(=N/c3ccccc3)N(CCc3ccc(OC)cc3)C2=O)cc1 ZINC000102408375 554922858 /nfs/dbraw/zinc/92/28/58/554922858.db2.gz BEXXCLBCWFSBAB-PJYXZHBHSA-N 0 2 559.732 6.857 40 30 KKEBLN CCCCCCOc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccccc3)N(CCc3ccc(OC)cc3)C2=O)cc1 ZINC000102408375 554922862 /nfs/dbraw/zinc/92/28/62/554922862.db2.gz BEXXCLBCWFSBAB-PJYXZHBHSA-N 0 2 559.732 6.857 40 30 KKEBLN Cc1cc(NS(=O)(=O)c2ccc(N3Cc4ccccc4/C3=N\C(=O)c3ccc(Cl)cc3Cl)cc2)no1 ZINC000102923212 555147750 /nfs/dbraw/zinc/14/77/50/555147750.db2.gz RXHCJCLXBNHVFS-ZZIIXHQDSA-N 0 2 541.416 5.698 40 30 KKEBLN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1/C=N\N=C1/NC(=O)C(CC(=O)Nc2ccc(C)cc2)S1 ZINC000102923757 555148272 /nfs/dbraw/zinc/14/82/72/555148272.db2.gz DQPRKGYXDXYBLE-DVMDLWDRSA-N 0 2 556.623 5.371 40 30 KKEBLN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1/C=N\N=C1/NC(=O)[C@H](CC(=O)Nc2ccc(C)cc2)S1 ZINC000102923757 555148274 /nfs/dbraw/zinc/14/82/74/555148274.db2.gz DQPRKGYXDXYBLE-DVMDLWDRSA-N 0 2 556.623 5.371 40 30 KKEBLN CC(=O)c1ccc(N=C2SC(CC(=O)Nc3c(C)cccc3C)C(=O)N2CCC2=CCCCC2)cc1 ZINC000102925013 555149202 /nfs/dbraw/zinc/14/92/02/555149202.db2.gz FLSLFGFSPBUJDA-FEIADIGBSA-N 0 2 503.668 6.357 40 30 KKEBLN CC(=O)c1ccc(N=C2S[C@@H](CC(=O)Nc3c(C)cccc3C)C(=O)N2CCC2=CCCCC2)cc1 ZINC000102925013 555149206 /nfs/dbraw/zinc/14/92/06/555149206.db2.gz FLSLFGFSPBUJDA-FEIADIGBSA-N 0 2 503.668 6.357 40 30 KKEBLN Cc1cc2ccccn2c1C(=O)c1ccc(N=NCc2cc(Br)c(O)c(Br)c2)c([N+](=O)[O-])c1 ZINC000102938193 555166425 /nfs/dbraw/zinc/16/64/25/555166425.db2.gz LCRZWJNXUNYGNU-RPPGKUMJSA-N 0 2 572.213 6.064 40 30 KKEBLN Cc1ccc(/N=C2/SC(CC(=O)Nc3ccc(Br)cc3)C(=O)N2C[C@@H]2CCCO2)cc1C ZINC000102961094 555176348 /nfs/dbraw/zinc/17/63/48/555176348.db2.gz WKCPRQQFUIUTHF-YMUZFUBFSA-N 0 2 516.461 5.205 40 30 KKEBLN Cc1ccc(/N=C2/S[C@H](CC(=O)Nc3ccc(Br)cc3)C(=O)N2C[C@@H]2CCCO2)cc1C ZINC000102961094 555176351 /nfs/dbraw/zinc/17/63/51/555176351.db2.gz WKCPRQQFUIUTHF-YMUZFUBFSA-N 0 2 516.461 5.205 40 30 KKEBLN CC(=O)c1ccc(NC(=O)CC2SC(=Nc3ccc(C)c(C)c3)N(CCC3=CCCCC3)C2=O)cc1 ZINC000102961082 555176400 /nfs/dbraw/zinc/17/64/00/555176400.db2.gz KJQCDLYYEHTEIB-RYRBQSRMSA-N 0 2 503.668 6.357 40 30 KKEBLN CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(CCC3=CCCCC3)C2=O)cc1 ZINC000102961082 555176403 /nfs/dbraw/zinc/17/64/03/555176403.db2.gz KJQCDLYYEHTEIB-RYRBQSRMSA-N 0 2 503.668 6.357 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N/c3cccc4ccccc43)N(C[C@@H]3CCCO3)C2=O)cc1Cl ZINC000102961323 555176767 /nfs/dbraw/zinc/17/67/67/555176767.db2.gz ZZVRZVXKPJVEQO-SALHBKMUSA-N 0 2 524.042 5.641 40 30 KKEBLN COc1ccc(NC(=O)C[C@@H]2S/C(=N/c3cccc4ccccc43)N(C[C@@H]3CCCO3)C2=O)cc1Cl ZINC000102961323 555176769 /nfs/dbraw/zinc/17/67/69/555176769.db2.gz ZZVRZVXKPJVEQO-SALHBKMUSA-N 0 2 524.042 5.641 40 30 KKEBLN O=C(CC1S/C(=N/c2cccc3ccccc32)N(Cc2ccccn2)C1=O)Nc1ccccc1Cl ZINC000102961301 555176815 /nfs/dbraw/zinc/17/68/15/555176815.db2.gz ULLDMASPPBEZTH-GLRYEDFWSA-N 0 2 501.011 6.049 40 30 KKEBLN O=C(C[C@@H]1S/C(=N/c2cccc3ccccc32)N(Cc2ccccn2)C1=O)Nc1ccccc1Cl ZINC000102961301 555176818 /nfs/dbraw/zinc/17/68/18/555176818.db2.gz ULLDMASPPBEZTH-GLRYEDFWSA-N 0 2 501.011 6.049 40 30 KKEBLN O=C(CC1S/C(=N\c2cccc3ccccc32)N(Cc2ccc3c(c2)OCO3)C1=O)Nc1ccc(Cl)cc1 ZINC000102961277 555176821 /nfs/dbraw/zinc/17/68/21/555176821.db2.gz LDFSNODJILTRPM-LVGDFUMNSA-N 0 2 544.032 6.382 40 30 KKEBLN O=C(C[C@@H]1S/C(=N\c2cccc3ccccc32)N(Cc2ccc3c(c2)OCO3)C1=O)Nc1ccc(Cl)cc1 ZINC000102961277 555176822 /nfs/dbraw/zinc/17/68/22/555176822.db2.gz LDFSNODJILTRPM-LVGDFUMNSA-N 0 2 544.032 6.382 40 30 KKEBLN Cc1cccc(C)c1/N=C1\SC(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C(=O)N1C[C@@H]1CCCO1 ZINC000102961261 555176886 /nfs/dbraw/zinc/17/68/86/555176886.db2.gz FEUDYXFFZJZTPN-JQTZUJDQSA-N 0 2 540.007 6.115 40 30 KKEBLN Cc1cccc(C)c1/N=C1\S[C@@H](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C(=O)N1C[C@@H]1CCCO1 ZINC000102961261 555176891 /nfs/dbraw/zinc/17/68/91/555176891.db2.gz FEUDYXFFZJZTPN-JQTZUJDQSA-N 0 2 540.007 6.115 40 30 KKEBLN O=C(CC1S/C(=N/c2ccc(SC(F)F)cc2)N(C[C@@H]2CCCO2)C1=O)Nc1ccc(F)cc1 ZINC000102961450 555177153 /nfs/dbraw/zinc/17/71/53/555177153.db2.gz XCUXYOTXEBGERZ-QFNUMGLESA-N 0 2 509.575 5.280 40 30 KKEBLN O=C(C[C@H]1S/C(=N/c2ccc(SC(F)F)cc2)N(C[C@@H]2CCCO2)C1=O)Nc1ccc(F)cc1 ZINC000102961450 555177156 /nfs/dbraw/zinc/17/71/56/555177156.db2.gz XCUXYOTXEBGERZ-QFNUMGLESA-N 0 2 509.575 5.280 40 30 KKEBLN Cc1cccc(C)c1NC(=O)CC1S/C(=N\c2ccc(F)cc2)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000102961865 555177786 /nfs/dbraw/zinc/17/77/86/555177786.db2.gz VROWKLCINXGYAR-GDHFJQHYSA-N 0 2 505.571 5.332 40 30 KKEBLN Cc1cccc(C)c1NC(=O)C[C@@H]1S/C(=N\c2ccc(F)cc2)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000102961865 555177790 /nfs/dbraw/zinc/17/77/90/555177790.db2.gz VROWKLCINXGYAR-GDHFJQHYSA-N 0 2 505.571 5.332 40 30 KKEBLN Cc1cc(C)cc(/N=C2/SC(CC(=O)Nc3ccc(Br)cc3)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000102962043 555178247 /nfs/dbraw/zinc/17/82/47/555178247.db2.gz FKHCYKOGOVCWQO-YMUZFUBFSA-N 0 2 516.461 5.205 40 30 KKEBLN Cc1cc(C)cc(/N=C2/S[C@H](CC(=O)Nc3ccc(Br)cc3)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000102962043 555178249 /nfs/dbraw/zinc/17/82/49/555178249.db2.gz FKHCYKOGOVCWQO-YMUZFUBFSA-N 0 2 516.461 5.205 40 30 KKEBLN Cc1cc(C)cc(/N=C2/SC(CC(=O)Nc3ccc(Br)cc3)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000102962041 555178269 /nfs/dbraw/zinc/17/82/69/555178269.db2.gz FKHCYKOGOVCWQO-HTTLLRLISA-N 0 2 516.461 5.205 40 30 KKEBLN Cc1cc(C)cc(/N=C2/S[C@@H](CC(=O)Nc3ccc(Br)cc3)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000102962041 555178272 /nfs/dbraw/zinc/17/82/72/555178272.db2.gz FKHCYKOGOVCWQO-HTTLLRLISA-N 0 2 516.461 5.205 40 30 KKEBLN Cc1ccc(C)c(/N=C2\SC(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2Cc2ccc3c(c2)OCO3)c1 ZINC000102962323 555178454 /nfs/dbraw/zinc/17/84/54/555178454.db2.gz DOGLEYAQTKALQV-ALSWYTTLSA-N 0 2 590.916 7.153 40 30 KKEBLN Cc1ccc(C)c(/N=C2\S[C@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2Cc2ccc3c(c2)OCO3)c1 ZINC000102962323 555178458 /nfs/dbraw/zinc/17/84/58/555178458.db2.gz DOGLEYAQTKALQV-ALSWYTTLSA-N 0 2 590.916 7.153 40 30 KKEBLN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2ccc(OC(F)F)cc2OC(F)F)c(C)c1 ZINC000102980347 555187472 /nfs/dbraw/zinc/18/74/72/555187472.db2.gz ORKIOBQEWYNEQS-KVSWJAHQSA-N 0 2 556.494 5.661 40 30 KKEBLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC(C)c1ccc(Br)cc1 ZINC000102984201 555189911 /nfs/dbraw/zinc/18/99/11/555189911.db2.gz JBNICMGFPBFFEK-OEAKJJBVSA-N 0 2 519.377 5.003 40 30 KKEBLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1ccc(OCc2ccccc2)cc1 ZINC000102984132 555189975 /nfs/dbraw/zinc/18/99/75/555189975.db2.gz FRYMKUXPMFCOCH-MTDXEUNCSA-N 0 2 532.578 5.429 40 30 KKEBLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1c2ccccc2c(Cl)c2ccccc21 ZINC000102984166 555190007 /nfs/dbraw/zinc/19/00/07/555190007.db2.gz OBBPZTOFBGEMPO-OCSSWDANSA-N 0 2 561.019 6.810 40 30 KKEBLN O=[N+]([O-])c1ccc(N=NCc2cn(-c3ccccc3)nc2-c2ccccc2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000102984247 555190196 /nfs/dbraw/zinc/19/01/96/555190196.db2.gz HCSFSCPFVDLQQC-UXHLAJHPSA-N 0 2 573.034 6.348 40 30 KKEBLN Cc1ccc(/N=C2\SC(CC(=O)Nc3ccc(Br)cc3)C(=O)N2C[C@H]2CCCO2)cc1C ZINC000102997829 555197122 /nfs/dbraw/zinc/19/71/22/555197122.db2.gz WKCPRQQFUIUTHF-VKTMHMARSA-N 0 2 516.461 5.205 40 30 KKEBLN Cc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(Br)cc3)C(=O)N2C[C@H]2CCCO2)cc1C ZINC000102997829 555197124 /nfs/dbraw/zinc/19/71/24/555197124.db2.gz WKCPRQQFUIUTHF-VKTMHMARSA-N 0 2 516.461 5.205 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N\c3cccc4ccccc43)N(C[C@H]3CCCO3)C2=O)cc1Cl ZINC000103000039 555199746 /nfs/dbraw/zinc/19/97/46/555199746.db2.gz ZZVRZVXKPJVEQO-YAQZSPHSSA-N 0 2 524.042 5.641 40 30 KKEBLN COc1ccc(NC(=O)C[C@H]2S/C(=N\c3cccc4ccccc43)N(C[C@H]3CCCO3)C2=O)cc1Cl ZINC000103000039 555199748 /nfs/dbraw/zinc/19/97/48/555199748.db2.gz ZZVRZVXKPJVEQO-YAQZSPHSSA-N 0 2 524.042 5.641 40 30 KKEBLN Cc1cc(C)cc(/N=C2\SC(CC(=O)Nc3ccc(Br)cc3)C(=O)N2C[C@H]2CCCO2)c1 ZINC000103000177 555199974 /nfs/dbraw/zinc/19/99/74/555199974.db2.gz FKHCYKOGOVCWQO-VKTMHMARSA-N 0 2 516.461 5.205 40 30 KKEBLN Cc1cc(C)cc(/N=C2\S[C@@H](CC(=O)Nc3ccc(Br)cc3)C(=O)N2C[C@H]2CCCO2)c1 ZINC000103000177 555199978 /nfs/dbraw/zinc/19/99/78/555199978.db2.gz FKHCYKOGOVCWQO-VKTMHMARSA-N 0 2 516.461 5.205 40 30 KKEBLN Cc1cc(C)cc(/N=C2\SC(CC(=O)Nc3ccc(Br)cc3)C(=O)N2C[C@H]2CCCO2)c1 ZINC000103000180 555200080 /nfs/dbraw/zinc/20/00/80/555200080.db2.gz FKHCYKOGOVCWQO-RSIBPKCYSA-N 0 2 516.461 5.205 40 30 KKEBLN Cc1cc(C)cc(/N=C2\S[C@H](CC(=O)Nc3ccc(Br)cc3)C(=O)N2C[C@H]2CCCO2)c1 ZINC000103000180 555200082 /nfs/dbraw/zinc/20/00/82/555200082.db2.gz FKHCYKOGOVCWQO-RSIBPKCYSA-N 0 2 516.461 5.205 40 30 KKEBLN CCCCCCCCCCCCCCCCCC(=O)N[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)OCC ZINC000103001423 555201233 /nfs/dbraw/zinc/20/12/33/555201233.db2.gz XWFHSBUIROKMJX-RUZDIDTESA-N 0 2 520.711 7.152 40 30 KKEBLN CCOc1ccccc1/N=C1\SC(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C(=O)N1[C@H](C)CCC(C)C ZINC000103001853 555201651 /nfs/dbraw/zinc/20/16/51/555201651.db2.gz TZIIHMJTDLMWJV-KQYRIMFCSA-N 0 2 542.658 5.787 40 30 KKEBLN CCOc1ccccc1/N=C1\S[C@@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C(=O)N1[C@H](C)CCC(C)C ZINC000103001853 555201653 /nfs/dbraw/zinc/20/16/53/555201653.db2.gz TZIIHMJTDLMWJV-KQYRIMFCSA-N 0 2 542.658 5.787 40 30 KKEBLN CCOc1ccccc1/N=C1\SC(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1[C@H](C)C(C)C ZINC000103002445 555201864 /nfs/dbraw/zinc/20/18/64/555201864.db2.gz YTQQSZLODSIQIQ-CLUOZYIVSA-N 0 2 519.023 5.652 40 30 KKEBLN CCOc1ccccc1/N=C1\S[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1[C@H](C)C(C)C ZINC000103002445 555201869 /nfs/dbraw/zinc/20/18/69/555201869.db2.gz YTQQSZLODSIQIQ-CLUOZYIVSA-N 0 2 519.023 5.652 40 30 KKEBLN O=C(CSc1nc2ccc(N=Cc3ccc(O)c([N+](=O)[O-])c3)cc2s1)c1ccc(-c2ccccc2)cc1 ZINC000103762762 555471783 /nfs/dbraw/zinc/47/17/83/555471783.db2.gz MPJZPPGHCXNGMG-MUFRIFMGSA-N 0 2 525.611 7.303 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000103842443 571362545 /nfs/dbraw/zinc/36/25/45/571362545.db2.gz DBKLIANJZKSSLZ-KCSSXMTESA-N 0 2 634.748 7.666 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(OCC)ccc3OCC)C2=O)ccc1OCc1ccc(C)cc1 ZINC000103843892 571362799 /nfs/dbraw/zinc/36/27/99/571362799.db2.gz QZWQMMCTKJSXHZ-NLRVBDNBSA-N 0 2 540.616 5.766 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000103849162 571364030 /nfs/dbraw/zinc/36/40/30/571364030.db2.gz FJQPDHBKZQLXEY-BUVRLJJBSA-N 0 2 579.422 5.961 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000103850695 571364575 /nfs/dbraw/zinc/36/45/75/571364575.db2.gz XSRCEGMSAXKRHZ-WSDLNYQXSA-N 0 2 555.389 6.115 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000103850669 571364660 /nfs/dbraw/zinc/36/46/60/571364660.db2.gz MPIQIOXTQYMGGI-WGOQTCKBSA-N 0 2 585.429 6.715 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000103850638 571364684 /nfs/dbraw/zinc/36/46/84/571364684.db2.gz KSKBCSNXTHTJMF-LPYMAVHISA-N 0 2 553.359 5.701 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000103850648 571364720 /nfs/dbraw/zinc/36/47/20/571364720.db2.gz FESLLRQHNMHFCE-YDZHTSKRSA-N 0 2 560.379 5.434 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OCc1ccc2ccccc2c1 ZINC000103850806 571364732 /nfs/dbraw/zinc/36/47/32/571364732.db2.gz CFZVYCVXQGFKCM-MTDXEUNCSA-N 0 2 550.586 6.352 40 30 KKEBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000103858814 571366740 /nfs/dbraw/zinc/36/67/40/571366740.db2.gz KHHUTWFEPKGJHJ-KEBDBYFISA-N 0 2 611.246 5.337 40 30 KKEBLN O/N=C(\Cc1nc2cc(Cl)c(Cl)cc2nc1C/C(=N/O)c1cccc2ccccc21)c1cccc2ccccc21 ZINC000104241381 571377697 /nfs/dbraw/zinc/37/76/97/571377697.db2.gz XGAXJFRCSPWSHO-PUGPZDGCSA-N 0 2 565.460 8.085 40 30 KKEBLN CCOC(=O)c1ccc(NC(=O)CC2S/C(=N\c3ccccc3F)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000105122696 571391596 /nfs/dbraw/zinc/39/15/96/571391596.db2.gz IJSIQXMMZCNXIT-YICFVICHSA-N 0 2 579.650 5.223 40 30 KKEBLN CCOC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3F)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000105122696 571391597 /nfs/dbraw/zinc/39/15/97/571391597.db2.gz IJSIQXMMZCNXIT-YICFVICHSA-N 0 2 579.650 5.223 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000105126245 571391663 /nfs/dbraw/zinc/39/16/63/571391663.db2.gz JVBQWBCQUCKQMF-MEXAFARESA-N 0 2 565.623 5.180 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000105126245 571391665 /nfs/dbraw/zinc/39/16/65/571391665.db2.gz JVBQWBCQUCKQMF-MEXAFARESA-N 0 2 565.623 5.180 40 30 KKEBLN Cc1c(Cl)cccc1NC(=O)CC1S/C(=N\c2cccc3ccccc32)N(C[C@H]2CCCO2)C1=O ZINC000112361754 571438535 /nfs/dbraw/zinc/43/85/35/571438535.db2.gz PERCQBCSDLQIGM-PWOCMNMFSA-N 0 2 508.043 5.941 40 30 KKEBLN Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N\c2cccc3ccccc32)N(C[C@H]2CCCO2)C1=O ZINC000112361754 571438537 /nfs/dbraw/zinc/43/85/37/571438537.db2.gz PERCQBCSDLQIGM-PWOCMNMFSA-N 0 2 508.043 5.941 40 30 KKEBLN O=C(CC1S/C(=N\c2ccc(OC(F)F)cc2)N([C@H]2CCCc3ccccc32)C1=O)Nc1ccccc1 ZINC000112362070 571438590 /nfs/dbraw/zinc/43/85/90/571438590.db2.gz GWCXNJWXRCEVQI-RZBNWEFISA-N 0 2 521.589 6.326 40 30 KKEBLN O=C(C[C@@H]1S/C(=N\c2ccc(OC(F)F)cc2)N([C@H]2CCCc3ccccc32)C1=O)Nc1ccccc1 ZINC000112362070 571438591 /nfs/dbraw/zinc/43/85/91/571438591.db2.gz GWCXNJWXRCEVQI-RZBNWEFISA-N 0 2 521.589 6.326 40 30 KKEBLN CC(C)OC(=O)c1ccccc1C(c1cc(Br)c(O)c(Br)c1)=C1C=C(Br)C(=O)C(Br)=C1 ZINC000150361206 571463789 /nfs/dbraw/zinc/46/37/89/571463789.db2.gz LLJOTVJDOVGQAD-UHFFFAOYSA-N 0 2 675.993 7.425 40 30 KKEBLN COc1ccc(OC)c(NC(=O)CSc2nc3ccc(/N=C/c4cc(Br)c(O)c(Br)c4)cc3s2)c1 ZINC000150485137 571515781 /nfs/dbraw/zinc/51/57/81/571515781.db2.gz FNLXMYPOUDFCPK-LUOAPIJWSA-N 0 2 637.375 7.026 40 30 KKEBLN Cc1ccc(Nc2ccc(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)c(Nc3ccc(/N=C/c4cc([N+](=O)[O-])ccc4O)cc3)c2)cc1 ZINC000150594486 571522203 /nfs/dbraw/zinc/52/22/03/571522203.db2.gz MGGCVYXREGKWFR-YLYVUXRMSA-N 0 2 670.563 8.411 40 30 KKEBLN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1F ZINC000150599254 571522571 /nfs/dbraw/zinc/52/25/71/571522571.db2.gz NXVZHDGIVLJFKD-SANMLTNESA-N 0 2 628.663 6.822 40 30 KKEBLN CCCCCCCOc1ccc(C(c2c(C)[nH]n(-c3ccc([N+](=O)[O-])cc3)c2=O)c2c(C)[nH]n(-c3ccc([N+](=O)[O-])cc3)c2=O)cc1 ZINC000163444447 571535338 /nfs/dbraw/zinc/53/53/38/571535338.db2.gz FJUWOJRCKFARPZ-UHFFFAOYSA-N 0 2 640.697 7.432 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(OCC)c1OCc1ccc(I)cc1 ZINC000164318553 571545525 /nfs/dbraw/zinc/54/55/25/571545525.db2.gz NGPDWNZNGOIUNF-YDZHTSKRSA-N 0 2 652.441 5.393 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000164319291 571545591 /nfs/dbraw/zinc/54/55/91/571545591.db2.gz DGSSXDGXMTYFEF-XZYGTATASA-N 0 2 701.661 9.044 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000164348245 571546276 /nfs/dbraw/zinc/54/62/76/571546276.db2.gz GDFDHWKESNEEAX-WCMJOSRZSA-N 0 2 686.046 8.544 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Br ZINC000408536784 572192135 /nfs/dbraw/zinc/19/21/35/572192135.db2.gz BCAHRLZBDFXVTJ-XDHOZWIPSA-N 0 2 626.773 7.579 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000408536754 572192232 /nfs/dbraw/zinc/19/22/32/572192232.db2.gz AXCJUXPPPGFXSF-MOSHPQCFSA-N 0 2 529.977 5.663 40 30 KKEBLN CCCCCCCCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccc(C(=O)OC)cc2)C1=O ZINC000408537195 572193703 /nfs/dbraw/zinc/19/37/03/572193703.db2.gz CQGXAQOQQCTMEG-XLNRJJMWSA-N 0 2 512.990 5.532 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Br ZINC000408538104 572196877 /nfs/dbraw/zinc/19/68/77/572196877.db2.gz JCXCPPITNNEGNC-UNOMPAQXSA-N 0 2 623.298 6.526 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OC ZINC000408538112 572197091 /nfs/dbraw/zinc/19/70/91/572197091.db2.gz JEJJIAFSGRXYLC-DIBXZPPDSA-N 0 2 591.104 7.333 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Br ZINC000408538308 572197563 /nfs/dbraw/zinc/19/75/63/572197563.db2.gz KSKBWNFGUBZDMD-UYRXBGFRSA-N 0 2 594.300 6.323 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl ZINC000408538483 572198506 /nfs/dbraw/zinc/19/85/06/572198506.db2.gz NRVWAKKHANNRAU-ITYLOYPMSA-N 0 2 595.523 7.978 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1Br ZINC000408538578 572198636 /nfs/dbraw/zinc/19/86/36/572198636.db2.gz ABJRXMJFJNVDGH-AQTBWJFISA-N 0 2 626.773 7.579 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000408538661 572199136 /nfs/dbraw/zinc/19/91/36/572199136.db2.gz BFHOQDPPKQWZMT-DEDYPNTBSA-N 0 2 519.425 6.408 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OC ZINC000408538912 572199989 /nfs/dbraw/zinc/19/99/89/572199989.db2.gz RFRGIVHDKKXXSJ-QNGOZBTKSA-N 0 2 587.467 5.650 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000408539771 572203416 /nfs/dbraw/zinc/20/34/16/572203416.db2.gz YUGRBQHZTBEFPN-JCMHNJIXSA-N 0 2 557.485 6.480 40 30 KKEBLN CCCCCCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OCC ZINC000408540854 572206939 /nfs/dbraw/zinc/20/69/39/572206939.db2.gz WNRWINCVLCGNPQ-FXBPSFAMSA-N 0 2 513.034 6.453 40 30 KKEBLN CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(c4ccccc4NC3=O)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1C#N ZINC000408566043 572253267 /nfs/dbraw/zinc/25/32/67/572253267.db2.gz MRHVQLUSKHWKPQ-VANZEMCSSA-N 0 2 559.022 5.244 40 30 KKEBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(c4ccccc4NC3=O)N3CCC[C@@H]23)cc(Cl)c1OCc1ccccc1C#N ZINC000408566043 572253269 /nfs/dbraw/zinc/25/32/69/572253269.db2.gz MRHVQLUSKHWKPQ-VANZEMCSSA-N 0 2 559.022 5.244 40 30 KKEBLN Cc1cccc(NS(=O)(=O)c2ccc3c(c2)C(=NO)c2cc(S(=O)(=O)Nc4cccc(C)c4)ccc2-3)c1 ZINC000098048283 1069692768 /nfs/dbraw/zinc/69/27/68/1069692768.db2.gz GAIGFEFWSHPLJI-UHFFFAOYSA-N 0 2 533.631 5.112 40 30 KKEBLN C=CCOC(=O)c1cccc(-c2ccc(C(c3c(C)[nH]n(-c4ccccc4)c3=O)c3c(C)[nH]n(-c4ccccc4)c3=O)o2)c1 ZINC000108423123 1069718600 /nfs/dbraw/zinc/71/86/00/1069718600.db2.gz VTEXVZGFTRVWRW-UHFFFAOYSA-N 0 2 586.648 6.869 40 30 KKEBLN CCOc1cc(C(c2c(C)[nH]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OCC#N ZINC000108423277 1069719245 /nfs/dbraw/zinc/71/92/45/1069719245.db2.gz WQBXXPPLDVFQLS-UHFFFAOYSA-N 0 2 535.604 5.567 40 30 KKEBLN C=CCOc1ccc(Br)cc1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000108423250 1069719675 /nfs/dbraw/zinc/71/96/75/1069719675.db2.gz IKLYHIGETKSPDJ-UHFFFAOYSA-N 0 2 571.475 6.594 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000408768174 1069872247 /nfs/dbraw/zinc/87/22/47/1069872247.db2.gz UMWIAVQEPPBMDG-HZHRSRAPSA-N 0 2 534.971 5.852 40 30 KKEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc1 ZINC000408822498 1069983643 /nfs/dbraw/zinc/98/36/43/1069983643.db2.gz AYLSFLYLMOGQPP-HEHNWMKZSA-N 0 2 595.699 6.795 40 30 KKEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1OC ZINC000408823915 1069989873 /nfs/dbraw/zinc/98/98/73/1069989873.db2.gz FVPCXSODLUNYML-HZHRSRAPSA-N 0 2 518.953 5.159 40 30 KKEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc1Br ZINC000408827782 1070007500 /nfs/dbraw/zinc/00/75/00/1070007500.db2.gz MRLVIUQSIVZVMI-QXMJJFQKSA-N 0 2 672.579 7.005 40 30 KKEBLN C=CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O ZINC000408827598 1070007131 /nfs/dbraw/zinc/00/71/31/1070007131.db2.gz LKWUEVBMKPEHBM-HZHRSRAPSA-N 0 2 523.372 5.804 40 30 KKEBLN C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1OCC ZINC000408825632 1070013918 /nfs/dbraw/zinc/01/39/18/1070013918.db2.gz ITWDMVLUJQAVSH-OEAKJJBVSA-N 0 2 565.409 5.650 40 30 KKEBLN C=CCOc1ccc2ccccc2c1/C=C1/C(=O)NC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C1=O ZINC000408834599 1070034504 /nfs/dbraw/zinc/03/45/04/1070034504.db2.gz USGDPSJRPLMOON-AQTBWJFISA-N 0 2 500.860 5.743 40 30 KKEBLN C=CCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Br ZINC000408854374 1070072815 /nfs/dbraw/zinc/07/28/15/1070072815.db2.gz DKAGICRGNZPHAH-SXGWCWSVSA-N 0 2 534.204 5.060 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000408910481 1070201620 /nfs/dbraw/zinc/20/16/20/1070201620.db2.gz KOOJDFJENMAHFT-ZVHZXABRSA-N 0 2 518.516 5.337 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408985327 1070345788 /nfs/dbraw/zinc/34/57/88/1070345788.db2.gz AOTNUABTAKWGMK-IWIPYMOSSA-N 0 2 579.480 6.928 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408986028 1070347122 /nfs/dbraw/zinc/34/71/22/1070347122.db2.gz ZDTXXNRIAWJFCT-UCQKPKSFSA-N 0 2 612.851 6.227 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408984835 1070353807 /nfs/dbraw/zinc/35/38/07/1070353807.db2.gz SWWXDMOSMIWTPR-PKAZHMFMSA-N 0 2 537.015 6.776 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408988382 1070350328 /nfs/dbraw/zinc/35/03/28/1070350328.db2.gz HTOSKJHQZZFENQ-QRVIBDJDSA-N 0 2 579.878 6.693 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1ccc2c(c1)OCO2 ZINC000408988141 1070351369 /nfs/dbraw/zinc/35/13/69/1070351369.db2.gz HDLXPDDAELDJML-MYYYXRDXSA-N 0 2 554.599 5.350 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000408994380 1070370591 /nfs/dbraw/zinc/37/05/91/1070370591.db2.gz ZHFUHJRSSNQCIX-ONUIUJJFSA-N 0 2 510.590 5.540 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000409075849 1070489182 /nfs/dbraw/zinc/48/91/82/1070489182.db2.gz YNAZKBBWKQMVOI-XSFVSMFZSA-N 0 2 537.399 5.976 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409069521 1070494765 /nfs/dbraw/zinc/49/47/65/1070494765.db2.gz JJZLRNGUIOXUSH-PCLIKHOPSA-N 0 2 595.073 5.518 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000409070050 1070495603 /nfs/dbraw/zinc/49/56/03/1070495603.db2.gz MSZKGGHDVIIBST-PXLXIMEGSA-N 0 2 551.426 6.366 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409087338 1070520241 /nfs/dbraw/zinc/52/02/41/1070520241.db2.gz SYCUJWQBXYMXRB-FYJGNVAPSA-N 0 2 615.948 6.853 40 30 KKEBLN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O)c(Br)c1 ZINC000409288376 1070757709 /nfs/dbraw/zinc/75/77/09/1070757709.db2.gz GTAZMKFILPZCKW-UHFFFAOYSA-N 0 2 558.068 5.569 40 30 KKEBLN C=CCOc1c(Br)cc(C=C2SC(=N)C(c3nccs3)=C2O)cc1Br ZINC000409336522 1070857265 /nfs/dbraw/zinc/85/72/65/1070857265.db2.gz OSXHWGLMQACILC-ALZKLBIISA-N 0 2 500.237 5.651 40 30 KKEBLN CCc1nnc(C2=C(O)C(=Cc3ccc(OCc4ccc(Br)cc4)c(Br)c3)SC2=N)s1 ZINC000409336961 1070857587 /nfs/dbraw/zinc/85/75/87/1070857587.db2.gz ROLXRRWMXGWJPM-SYYZSARLSA-N 0 2 579.339 6.622 40 30 KKEBLN COc1cc(C=C2SC(=N)C(c3nccs3)=C2O)cc(I)c1OCc1ccc(Br)cc1 ZINC000409337678 1070859433 /nfs/dbraw/zinc/85/94/33/1070859433.db2.gz XULYXJHAROFOHQ-CJFBKLJESA-N 0 2 627.323 6.516 40 30 KKEBLN C=CCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(OCCCC)cc3)C2=O)cc1OCC ZINC000408899688 1070942843 /nfs/dbraw/zinc/94/28/43/1070942843.db2.gz PWIMGGUWDJOEGZ-ZHZULCJRSA-N 0 2 590.414 5.100 40 30 KKEBLN O=C(Nc1ccccc1)c1c(/N=C\c2cc(Br)c(O)c(I)c2)sc2c1CCCC2 ZINC000408916618 1070999171 /nfs/dbraw/zinc/99/91/71/1070999171.db2.gz YNZCUILGKVSXMN-ROTLSHHCSA-N 0 2 581.273 6.703 40 30 KKEBLN CCCCN1C(=O)/C(=C\c2cc(Br)c(O)c(Br)c2)S/C1=N\c1ccc(C)cc1 ZINC000408914110 1071014119 /nfs/dbraw/zinc/01/41/19/1071014119.db2.gz SXNNUMKCCCSILF-NVEQVSHNSA-N 0 2 524.278 6.630 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000408950464 1071355642 /nfs/dbraw/zinc/35/56/42/1071355642.db2.gz KJYCDRHHEBQHSG-YDZHTSKRSA-N 0 2 605.441 5.550 40 30 KKEBLN C#CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OC ZINC000408950388 1071357220 /nfs/dbraw/zinc/35/72/20/1071357220.db2.gz JPTARUMJHYZFLD-WYMPLXKRSA-N 0 2 636.486 5.446 40 30 KKEBLN C=CCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Br ZINC000408983409 1071519106 /nfs/dbraw/zinc/51/91/06/1071519106.db2.gz LZNODTABINKKBK-AUWJEWJLSA-N 0 2 510.171 5.296 40 30 KKEBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000408982388 1071527943 /nfs/dbraw/zinc/52/79/43/1071527943.db2.gz GSTGCIJDXQZVBZ-UKWGHVSLSA-N 0 2 627.822 5.379 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccc2ccccc2c1 ZINC000408994320 1071559422 /nfs/dbraw/zinc/55/94/22/1071559422.db2.gz YLRUVJJNWPOAPE-QRQIAZFYSA-N 0 2 581.068 7.174 40 30 KKEBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3C#N)C2=O)cc1 ZINC000408994050 1071561660 /nfs/dbraw/zinc/56/16/60/1071561660.db2.gz YDWNTRKDIDAMSE-UCQKPKSFSA-N 0 2 530.378 5.129 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408991883 1071578023 /nfs/dbraw/zinc/57/80/23/1071578023.db2.gz RJPHPQJTJQOGGG-ONUIUJJFSA-N 0 2 555.587 5.530 40 30 KKEBLN C[C@H](c1cc(Br)c(O)c(Br)c1)C1=C(c2c(N)ccc3ccccc32)CC(C)(C)CC1=O ZINC000408731068 1071583953 /nfs/dbraw/zinc/58/39/53/1071583953.db2.gz ISWDPRZTZYULQE-CQSZACIVSA-N 0 2 543.299 7.599 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000408988395 1071604247 /nfs/dbraw/zinc/60/42/47/1071604247.db2.gz HVKXBPXSTVITTO-JLPGSUDCSA-N 0 2 531.008 5.885 40 30 KKEBLN CCCCCCCO[C@H]1C=CC=C[C@@H]1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000408737465 1071614218 /nfs/dbraw/zinc/61/42/18/1071614218.db2.gz RDQGWXOUAKIKMK-VMPREFPWSA-N 0 2 552.719 7.316 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408755634 1071644399 /nfs/dbraw/zinc/64/43/99/1071644399.db2.gz RHWYOHRVXIIFFE-RGVLZGJSSA-N 0 2 679.192 7.801 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000408751671 1071669586 /nfs/dbraw/zinc/66/95/86/1071669586.db2.gz BIFMGWKRUGDDHM-HZHRSRAPSA-N 0 2 593.449 6.269 40 30 KKEBLN O=C1NC(=Nc2ccccc2I)S/C1=C/c1cc(Br)c(O)c(Br)c1 ZINC000408750216 1071678832 /nfs/dbraw/zinc/67/88/32/1071678832.db2.gz YCERZQSQZOIIAH-NTUHNPAUSA-N 0 2 580.039 5.413 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OC)c1OCc1ccc2c(c1)OCO2 ZINC000408757524 1071712491 /nfs/dbraw/zinc/71/24/91/1071712491.db2.gz ZDVSLZGBJODSBD-WSDLNYQXSA-N 0 2 605.441 5.469 40 30 KKEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1Br ZINC000408763249 1071733573 /nfs/dbraw/zinc/73/35/73/1071733573.db2.gz MJKLCOIZQNYWAJ-RIYZIHGNSA-N 0 2 554.622 5.405 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000408777176 1071745708 /nfs/dbraw/zinc/74/57/08/1071745708.db2.gz WJZWFNQYPIUXSO-BUVRLJJBSA-N 0 2 561.432 5.740 40 30 KKEBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000408776449 1071749435 /nfs/dbraw/zinc/74/94/35/1071749435.db2.gz OVPMGFNSOQCNEF-WSDLNYQXSA-N 0 2 607.404 5.115 40 30 KKEBLN CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(O)c([N+](=O)[O-])c1 ZINC000409033153 1071772151 /nfs/dbraw/zinc/77/21/51/1071772151.db2.gz DZXQBSXPLVTAMI-UHFFFAOYSA-N 0 2 500.595 6.186 40 30 KKEBLN COCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)c(O)c(Br)c2)C2=C1CC(C)(C)CC2=O ZINC000409032409 1071780078 /nfs/dbraw/zinc/78/00/78/1071780078.db2.gz IXNRKFZFQSRQFT-UHFFFAOYSA-N 0 2 595.372 6.639 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408780970 1071821235 /nfs/dbraw/zinc/82/12/35/1071821235.db2.gz OWPHGBWCSNYVEB-WPWMEQJKSA-N 0 2 581.466 6.885 40 30 KKEBLN C=CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Br ZINC000409046739 1071830247 /nfs/dbraw/zinc/83/02/47/1071830247.db2.gz LTYWNWAQSKBRRH-VGOFMYFVSA-N 0 2 540.595 5.096 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OCc1cccc(F)c1 ZINC000408778180 1071838329 /nfs/dbraw/zinc/83/83/29/1071838329.db2.gz QEWDKSUTFSZJRN-OEAKJJBVSA-N 0 2 520.944 5.462 40 30 KKEBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000408778263 1071838823 /nfs/dbraw/zinc/83/88/23/1071838823.db2.gz COYQPTQZOADIHW-KEBDBYFISA-N 0 2 566.795 5.228 40 30 KKEBLN C=CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000409044910 1071844102 /nfs/dbraw/zinc/84/41/02/1071844102.db2.gz FFGRWQPPUBEJFI-HYARGMPZSA-N 0 2 523.372 5.804 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(OC)c1OCc1ccccc1 ZINC000409066562 1072002608 /nfs/dbraw/zinc/00/26/08/1072002608.db2.gz BASJNPWPMNWEBX-RCCKNPSSSA-N 0 2 502.954 5.323 40 30 KKEBLN O=c1c2ccccc2nc(-c2cc3cc(Br)ccc3o2)n1N=Cc1cc([N+](=O)[O-])ccc1O ZINC000409294331 1071998249 /nfs/dbraw/zinc/99/82/49/1071998249.db2.gz ADXUCAVEYIFMEN-UHFFFAOYSA-N 0 2 505.284 5.068 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000409066114 1072004752 /nfs/dbraw/zinc/00/47/52/1072004752.db2.gz LSDUTYRVITWSHH-YDZHTSKRSA-N 0 2 567.425 6.072 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409063343 1072021272 /nfs/dbraw/zinc/02/12/72/1072021272.db2.gz ACOLZQUOTNRSAE-BUVRLJJBSA-N 0 2 581.046 5.128 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000409074439 1072040419 /nfs/dbraw/zinc/04/04/19/1072040419.db2.gz ZMIXLFNGQUHXMX-AJBULDERSA-N 0 2 588.660 6.557 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OC)c1OCc1cccc(F)c1 ZINC000409074095 1072069603 /nfs/dbraw/zinc/06/96/03/1072069603.db2.gz KDOJHIMNARCCGA-YDZHTSKRSA-N 0 2 534.971 5.770 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000409074913 1072065833 /nfs/dbraw/zinc/06/58/33/1072065833.db2.gz OCQAIKLPXVEPBY-HYARGMPZSA-N 0 2 595.877 6.393 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000409073163 1072078109 /nfs/dbraw/zinc/07/81/09/1072078109.db2.gz XVLBZQKZXWIZEI-KOEQRZSOSA-N 0 2 544.579 5.597 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc(OC)c1OCc1ccccc1F ZINC000409071560 1072088731 /nfs/dbraw/zinc/08/87/31/1072088731.db2.gz HGMNNQWCNVKZTP-LFVJCYFKSA-N 0 2 530.552 5.207 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409071428 1072089838 /nfs/dbraw/zinc/08/98/38/1072089838.db2.gz OGQIGIFIQOMFAH-HYARGMPZSA-N 0 2 551.426 6.284 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OCc1ccccc1 ZINC000409070152 1072096480 /nfs/dbraw/zinc/09/64/80/1072096480.db2.gz NDEYAKZPKAPYIU-OEAKJJBVSA-N 0 2 502.954 5.323 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000409070170 1072096583 /nfs/dbraw/zinc/09/65/83/1072096583.db2.gz XVOGNVYYKPAIQO-AJBULDERSA-N 0 2 623.105 7.292 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409070172 1072096687 /nfs/dbraw/zinc/09/66/87/1072096687.db2.gz DSWPZWBJXIBHEC-OVVQPSECSA-N 0 2 540.616 5.766 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409069204 1072105313 /nfs/dbraw/zinc/10/53/13/1072105313.db2.gz HZVNCXFKEMDMKF-PCLIKHOPSA-N 0 2 547.007 5.721 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000409068691 1072108211 /nfs/dbraw/zinc/10/82/11/1072108211.db2.gz BOHCGIPRSKRELV-BUVRLJJBSA-N 0 2 605.441 5.218 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409067934 1072115654 /nfs/dbraw/zinc/11/56/54/1072115654.db2.gz RRLBYFCWYMJGLU-NDZAJKAJSA-N 0 2 609.078 6.902 40 30 KKEBLN CC(C)CN1C(=O)/C(=C/c2cc(Br)c(O)c(Br)c2)S/C1=N/c1ccc(Cl)cc1 ZINC000409085017 1072184364 /nfs/dbraw/zinc/18/43/64/1072184364.db2.gz YEKIIAWKNNIJRY-FLIKEUPFSA-N 0 2 544.696 6.831 40 30 KKEBLN CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cc([N+](=O)[O-])ccc3O)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409084367 1072190163 /nfs/dbraw/zinc/19/01/63/1072190163.db2.gz XBHTWEZLLJXSAO-WBBAFLOHSA-N 0 2 512.031 7.169 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409082798 1072208602 /nfs/dbraw/zinc/20/86/02/1072208602.db2.gz SWLILVPFZMINNB-UDWIEESQSA-N 0 2 601.921 6.463 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409088841 1072293997 /nfs/dbraw/zinc/29/39/97/1072293997.db2.gz YMRLHTXYWTZQSR-RGVLZGJSSA-N 0 2 592.948 5.661 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409087643 1072307687 /nfs/dbraw/zinc/30/76/87/1072307687.db2.gz CROTWXDPLDPLDC-HYARGMPZSA-N 0 2 588.529 5.098 40 30 KKEBLN CCc1nnc(C2=C(O)C(=Cc3ccc(OCc4ccc(Br)cc4)c(OC)c3)SC2=N)s1 ZINC000409335612 1072337182 /nfs/dbraw/zinc/33/71/82/1072337182.db2.gz KRWUTAHLKMDSHG-NEORNSOTSA-N 0 2 530.469 5.868 40 30 KKEBLN CCOc1cc(C=C2SC(=N)C(c3nccs3)=C2O)cc(I)c1OCc1ccc(Br)cc1 ZINC000409333889 1072350184 /nfs/dbraw/zinc/35/01/84/1072350184.db2.gz FJKJFYLYQKJUQF-NVQQQHFASA-N 0 2 641.350 6.906 40 30 KKEBLN CCc1nnc(C2=C(O)C(=Cc3ccc(OCc4cccc5ccccc54)c(Br)c3)SC2=N)s1 ZINC000409337052 1072404042 /nfs/dbraw/zinc/40/40/42/1072404042.db2.gz STNAWRKLBSOZMP-OXHSWEJPSA-N 0 2 550.503 7.013 40 30 KKEBLN CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409337689 1072492806 /nfs/dbraw/zinc/49/28/06/1072492806.db2.gz XZOCWLCOLMSPKM-WSAQVMDCSA-N 0 2 623.392 7.021 40 30 KKEBLN Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000409239666 1073112398 /nfs/dbraw/zinc/11/23/98/1073112398.db2.gz IFAMVHXOFJEXJR-JVWAILMASA-N 0 2 565.029 6.173 40 30 KKEBLN Cc1ccc2nc(-c3cc(/N=C/c4ccc(C(=O)Oc5cccc(Br)c5)cc4)ccc3O)oc2c1 ZINC000003139567 552294180 /nfs/dbraw/zinc/29/41/80/552294180.db2.gz TVADMIOBAYVCJB-OKCVXOCRSA-N 0 2 527.374 7.241 40 30 KKEBLN COc1ccc(Cl)cc1NC(=O)CC1S/C(=N/c2ccc(F)cc2)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000003251433 552322455 /nfs/dbraw/zinc/32/24/55/552322455.db2.gz JLYURWGGVBLHIE-XMQMNSMNSA-N 0 2 541.988 5.377 40 30 KKEBLN COc1ccc(Cl)cc1NC(=O)C[C@H]1S/C(=N/c2ccc(F)cc2)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000003251433 552322456 /nfs/dbraw/zinc/32/24/56/552322456.db2.gz JLYURWGGVBLHIE-XMQMNSMNSA-N 0 2 541.988 5.377 40 30 KKEBLN Cc1c(Cl)cccc1NC(=O)CC1S/C(=N\c2cccc3ccccc32)N(C[C@@H]2CCCO2)C1=O ZINC000003251772 552322888 /nfs/dbraw/zinc/32/28/88/552322888.db2.gz PERCQBCSDLQIGM-VDMRYMQUSA-N 0 2 508.043 5.941 40 30 KKEBLN Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N\c2cccc3ccccc32)N(C[C@@H]2CCCO2)C1=O ZINC000003251772 552322892 /nfs/dbraw/zinc/32/28/92/552322892.db2.gz PERCQBCSDLQIGM-VDMRYMQUSA-N 0 2 508.043 5.941 40 30 KKEBLN O/N=C(/Cc1nc2cc(Cl)c(Cl)cc2nc1C/C(=N/O)c1cccc2ccccc21)c1cccc2ccccc21 ZINC000005568005 552505174 /nfs/dbraw/zinc/50/51/74/552505174.db2.gz XGAXJFRCSPWSHO-KJLMGFARSA-N 0 2 565.460 8.085 40 30 KKEBLN COc1ccc2cc(C(C)N=Nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[N+](=O)[O-])ccc2c1 ZINC000005940046 552513358 /nfs/dbraw/zinc/51/33/58/552513358.db2.gz XLCSURKNPWIHNX-WPWMEQJKSA-N 0 2 520.567 5.402 40 30 KKEBLN Cc1ccc(C)c(/N=C2\SC(CC(=O)Nc3c(C)cccc3C)C(=O)N2Cc2ccc3c(c2)OCO3)c1 ZINC000012616226 553402714 /nfs/dbraw/zinc/40/27/14/553402714.db2.gz WBGJCSVHAWSHQP-RKHTVNCQSA-N 0 2 515.635 5.809 40 30 KKEBLN Cc1ccc(C)c(/N=C2\S[C@@H](CC(=O)Nc3c(C)cccc3C)C(=O)N2Cc2ccc3c(c2)OCO3)c1 ZINC000012616226 553402716 /nfs/dbraw/zinc/40/27/16/553402716.db2.gz WBGJCSVHAWSHQP-RKHTVNCQSA-N 0 2 515.635 5.809 40 30 KKEBLN CCOc1ccccc1/N=C1\SC(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1C1CCCC1 ZINC000016035465 553552111 /nfs/dbraw/zinc/55/21/11/553552111.db2.gz VTBVUDPXOCOMAU-LQUAGZSJSA-N 0 2 517.007 5.550 40 30 KKEBLN CCOc1ccccc1/N=C1\S[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1C1CCCC1 ZINC000016035465 553552113 /nfs/dbraw/zinc/55/21/13/553552113.db2.gz VTBVUDPXOCOMAU-LQUAGZSJSA-N 0 2 517.007 5.550 40 30 KKEBLN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC(C)c2ccccc2OC(F)F)c(C)c1 ZINC000096399175 553753375 /nfs/dbraw/zinc/75/33/75/553753375.db2.gz QEEXETDQFGCWHJ-QQXSKIMKSA-N 0 2 504.515 5.450 40 30 KKEBLN COc1ccc(N=C2SC(CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000096400508 553753695 /nfs/dbraw/zinc/75/36/95/553753695.db2.gz YPYMCUUNXAWPJW-ZSUDGOGXSA-N 0 2 522.026 5.712 40 30 KKEBLN COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000096400508 553753697 /nfs/dbraw/zinc/75/36/97/553753697.db2.gz YPYMCUUNXAWPJW-ZSUDGOGXSA-N 0 2 522.026 5.712 40 30 KKEBLN C=CCOc1cccc([C@H]2C(S(=O)(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 ZINC000027333007 553825494 /nfs/dbraw/zinc/82/54/94/553825494.db2.gz JKDXZLPXYYTPMX-QFIPXVFZSA-N 0 2 516.402 5.890 40 30 KKEBLN C=CCc1ccc(OCCn2cccc2C=C2C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(OC)c1 ZINC000033367120 553957619 /nfs/dbraw/zinc/95/76/19/553957619.db2.gz DMKOGJQUBGATRT-JWGURIENSA-N 0 2 519.985 5.773 40 30 KKEBLN CCOc1ccccc1/N=C1/SC(CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1[C@H](C)CCC(C)C ZINC000097982086 553999888 /nfs/dbraw/zinc/99/98/88/553999888.db2.gz ONMJSXAPMVKMLL-VXEYZTNMSA-N 0 2 535.632 6.889 40 30 KKEBLN CCOc1ccccc1/N=C1/S[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1[C@H](C)CCC(C)C ZINC000097982086 553999891 /nfs/dbraw/zinc/99/98/91/553999891.db2.gz ONMJSXAPMVKMLL-VXEYZTNMSA-N 0 2 535.632 6.889 40 30 KKEBLN Cc1cccc(C)c1/N=C1/SC(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C(=O)N1C[C@@H]1CCCO1 ZINC000097982117 554000093 /nfs/dbraw/zinc/00/00/93/554000093.db2.gz FEUDYXFFZJZTPN-KFGCINOHSA-N 0 2 540.007 6.115 40 30 KKEBLN Cc1cccc(C)c1/N=C1/S[C@H](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C(=O)N1C[C@@H]1CCCO1 ZINC000097982117 554000095 /nfs/dbraw/zinc/00/00/95/554000095.db2.gz FEUDYXFFZJZTPN-KFGCINOHSA-N 0 2 540.007 6.115 40 30 KKEBLN C=C(C)[C@@H](CCC=C(C)C)[C@]12C[C@@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(=C(O)c3ccc(O)c(O)c3)C1=O)C2=O ZINC000100017711 554181583 /nfs/dbraw/zinc/18/15/83/554181583.db2.gz GRBCIRZXESZBGJ-PWMSFCGJSA-N 0 2 602.812 8.915 40 30 in-vitro KKEBLN CCC[C@@]1(CCc2ccccc2)CC(=O)C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1 ZINC000100022637 554182261 /nfs/dbraw/zinc/18/22/61/554182261.db2.gz NZPXPXAGXYTROM-FYBSXPHGSA-N 0 2 602.675 7.326 40 30 fda KKEBLN CCOc1ccc(NC(=O)CC2S/C(=N/c3ccccc3F)N(CCc3ccc(OC)cc3)C2=O)cc1 ZINC000100180222 554241692 /nfs/dbraw/zinc/24/16/92/554241692.db2.gz RKTKTMKTMXOWMG-SXTXFEDFSA-N 0 2 521.614 5.436 40 30 KKEBLN CCOc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccccc3F)N(CCc3ccc(OC)cc3)C2=O)cc1 ZINC000100180222 554241695 /nfs/dbraw/zinc/24/16/95/554241695.db2.gz RKTKTMKTMXOWMG-SXTXFEDFSA-N 0 2 521.614 5.436 40 30 KKEBLN O=[N+]([O-])c1cc(Cc2ccccc2)cc(/C=N/c2c(Br)cc(O)cc2Br)c1O ZINC000038162492 554273701 /nfs/dbraw/zinc/27/37/01/554273701.db2.gz DBDOHTONOYWUGR-FOKLQQMPSA-N 0 2 506.150 5.872 40 30 KKEBLN O=[N+]([O-])c1cc(Cc2ccccc2Cl)cc(/C=N/c2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1O ZINC000100300291 554290895 /nfs/dbraw/zinc/29/08/95/554290895.db2.gz IJAABKUEAUGSLS-JJKQSNDFSA-N 0 2 554.336 8.035 40 30 KKEBLN C=CCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OC ZINC000100320606 554304879 /nfs/dbraw/zinc/30/48/79/554304879.db2.gz DLKKEVWATQDAJY-WYMPLXKRSA-N 0 2 591.502 6.157 40 30 KKEBLN COC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC[C@@H]3[C@@]4(C)CCC(=NOC(=O)C[C@@H]5SC(=O)NC5=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000059690870 554424985 /nfs/dbraw/zinc/42/49/85/554424985.db2.gz NAXBQOBKRFCYKY-KQXWZCLKSA-N 0 2 640.887 7.602 40 30 KKEBLN CC[C@H](C)c1ccc2oc(-c3ccc(/N=C\c4cc(Cc5ccccc5Cl)cc([N+](=O)[O-])c4O)cc3)nc2c1 ZINC000100953498 554538033 /nfs/dbraw/zinc/53/80/33/554538033.db2.gz XFVXSKSZWRHOIJ-LTYQLTAZSA-N 0 2 540.019 8.617 40 30 KKEBLN CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cc5ccccc5Cl)cc([N+](=O)[O-])c4O)cc3)nc2c1 ZINC000100953500 554538077 /nfs/dbraw/zinc/53/80/77/554538077.db2.gz XFVXSKSZWRHOIJ-PELXQUCJSA-N 0 2 540.019 8.617 40 30 KKEBLN CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C\c4cc(Cc5ccccc5Cl)cc([N+](=O)[O-])c4O)cc3)nc2c1 ZINC000100953496 554538138 /nfs/dbraw/zinc/53/81/38/554538138.db2.gz XFVXSKSZWRHOIJ-QDZIBEGDSA-N 0 2 540.019 8.617 40 30 KKEBLN Cc1c(/N=C/c2cc(Cc3ccccc3Cl)cc([N+](=O)[O-])c2O)cccc1-c1nc2cc(Cl)ccc2o1 ZINC000100958273 554541180 /nfs/dbraw/zinc/54/11/80/554541180.db2.gz QRIMTGYKIBGYAJ-IBBHUPRXSA-N 0 2 532.383 8.065 40 30 KKEBLN O=C(CC1S/C(=N/N=C/C=C/c2ccccc2)N(Cc2ccco2)C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000101025430 554563606 /nfs/dbraw/zinc/56/36/06/554563606.db2.gz QKLMBSMJKSPHHB-YPMNVKOISA-N 0 2 526.540 5.826 40 30 KKEBLN O=C(CC1S/C(=N/S(=O)(=O)c2ccc(Br)cc2)N(C2CCCCC2)C1=O)Nc1ccc(Cl)cc1 ZINC000101042747 554567952 /nfs/dbraw/zinc/56/79/52/554567952.db2.gz IKKBOEREGXNTQH-LGADCTONSA-N 0 2 584.945 5.453 40 30 KKEBLN C=CCc1cc([N+](=O)[O-])cc(/C=N\c2sc3c(c2C(=O)OCC)CC[N@H+](Cc2ccccc2)C3)c1[O-] ZINC000101206675 554676432 /nfs/dbraw/zinc/67/64/32/554676432.db2.gz PFYMPXPHFLMRNK-MBTHVWNTSA-N 0 2 505.596 5.576 40 30 KKEBLN C=CCc1cc([N+](=O)[O-])cc(/C=N\c2sc3c(c2C(=O)OCC)CC[N@@H+](Cc2ccccc2)C3)c1[O-] ZINC000101206675 554676435 /nfs/dbraw/zinc/67/64/35/554676435.db2.gz PFYMPXPHFLMRNK-MBTHVWNTSA-N 0 2 505.596 5.576 40 30 KKEBLN COc1cc([N+](=O)[O-])ccc1NC(=O)CC1S/C(=N\c2ccc(F)cc2)N(CCC2=CCCCC2)C1=O ZINC000101487965 554785624 /nfs/dbraw/zinc/78/56/24/554785624.db2.gz IBDSTXCUTXVBOG-PQHDRGKASA-N 0 2 526.590 5.593 40 30 KKEBLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H]1S/C(=N\c2ccc(F)cc2)N(CCC2=CCCCC2)C1=O ZINC000101487965 554785626 /nfs/dbraw/zinc/78/56/26/554785626.db2.gz IBDSTXCUTXVBOG-PQHDRGKASA-N 0 2 526.590 5.593 40 30 KKEBLN CCCCCCOc1ccc(NC(=O)CC2S/C(=N/c3ccccc3)N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000101662240 554822071 /nfs/dbraw/zinc/82/20/71/554822071.db2.gz JXWOMIGZQNNGSI-LQMRPUKQSA-N 0 2 550.124 7.460 40 30 KKEBLN CCCCCCOc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccccc3)N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000101662240 554822075 /nfs/dbraw/zinc/82/20/75/554822075.db2.gz JXWOMIGZQNNGSI-LQMRPUKQSA-N 0 2 550.124 7.460 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N2CCc2ccccc2)cc1 ZINC000102406101 554920930 /nfs/dbraw/zinc/92/09/30/554920930.db2.gz AXAZJOMEDNWJLY-TUIIRILJSA-N 0 2 570.498 6.373 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@H](CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N2CCc2ccccc2)cc1 ZINC000102406101 554920931 /nfs/dbraw/zinc/92/09/31/554920931.db2.gz AXAZJOMEDNWJLY-TUIIRILJSA-N 0 2 570.498 6.373 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3ccc(C(=O)OCC)cc3)C(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000102407924 554922309 /nfs/dbraw/zinc/92/23/09/554922309.db2.gz MMLPDAWWKVGHHU-QNRSTHINSA-N 0 2 594.089 5.854 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@H](CC(=O)Nc3ccc(C(=O)OCC)cc3)C(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000102407924 554922312 /nfs/dbraw/zinc/92/23/12/554922312.db2.gz MMLPDAWWKVGHHU-QNRSTHINSA-N 0 2 594.089 5.854 40 30 KKEBLN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/N=C2\NC(=O)C(CC(=O)Nc3ccc(C)cc3C)S2)cc1F ZINC000102923784 555148184 /nfs/dbraw/zinc/14/81/84/555148184.db2.gz RJJSUTPETGAMRT-IQZQLMGCSA-N 0 2 612.731 6.424 40 30 KKEBLN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/N=C2\NC(=O)[C@H](CC(=O)Nc3ccc(C)cc3C)S2)cc1F ZINC000102923784 555148187 /nfs/dbraw/zinc/14/81/87/555148187.db2.gz RJJSUTPETGAMRT-IQZQLMGCSA-N 0 2 612.731 6.424 40 30 KKEBLN CCOc1ccccc1/N=C1\SC(CC(=O)Nc2ccccc2Br)C(=O)N1Cc1ccccn1 ZINC000102961520 555177294 /nfs/dbraw/zinc/17/72/94/555177294.db2.gz FMUUHARLPQOXIL-DCBAJMHUSA-N 0 2 539.455 5.403 40 30 KKEBLN CCOc1ccccc1/N=C1\S[C@@H](CC(=O)Nc2ccccc2Br)C(=O)N1Cc1ccccn1 ZINC000102961520 555177296 /nfs/dbraw/zinc/17/72/96/555177296.db2.gz FMUUHARLPQOXIL-DCBAJMHUSA-N 0 2 539.455 5.403 40 30 KKEBLN O=C(CC1S/C(=N\c2ccc(F)cc2)N(Cc2ccco2)C1=O)Nc1ccc(Br)cc1 ZINC000102961895 555178051 /nfs/dbraw/zinc/17/80/51/555178051.db2.gz PIKKCMJVSXLRJU-HMWBEYIWSA-N 0 2 502.365 5.342 40 30 KKEBLN O=C(C[C@@H]1S/C(=N\c2ccc(F)cc2)N(Cc2ccco2)C1=O)Nc1ccc(Br)cc1 ZINC000102961895 555178055 /nfs/dbraw/zinc/17/80/55/555178055.db2.gz PIKKCMJVSXLRJU-HMWBEYIWSA-N 0 2 502.365 5.342 40 30 KKEBLN Cc1ccc(/N=C2\SC(CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2Cc2ccc3c(c2)OCO3)c(C)c1 ZINC000102962399 555178676 /nfs/dbraw/zinc/17/86/76/555178676.db2.gz CKWHDWXDURZQFF-TXBHVNISSA-N 0 2 555.578 6.211 40 30 KKEBLN Cc1ccc(/N=C2\S[C@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2Cc2ccc3c(c2)OCO3)c(C)c1 ZINC000102962399 555178677 /nfs/dbraw/zinc/17/86/77/555178677.db2.gz CKWHDWXDURZQFF-TXBHVNISSA-N 0 2 555.578 6.211 40 30 KKEBLN COc1ccccc1NS(=O)(=O)c1ccc(N=NC(C)c2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000102983974 555190017 /nfs/dbraw/zinc/19/00/17/555190017.db2.gz FSZZFRRDMHNUFF-OEAKJJBVSA-N 0 2 519.377 5.003 40 30 KKEBLN CCOc1ccccc1/N=C1\SC(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1[C@H](C)C(C)C ZINC000103002447 555201914 /nfs/dbraw/zinc/20/19/14/555201914.db2.gz YTQQSZLODSIQIQ-CMBAJDPFSA-N 0 2 519.023 5.652 40 30 KKEBLN CCOc1ccccc1/N=C1\S[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1[C@H](C)C(C)C ZINC000103002447 555201915 /nfs/dbraw/zinc/20/19/15/555201915.db2.gz YTQQSZLODSIQIQ-CMBAJDPFSA-N 0 2 519.023 5.652 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(OCC)ccc3OCC)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000103841947 571362363 /nfs/dbraw/zinc/36/23/63/571362363.db2.gz PNFLDBHALWFQGZ-PCLIKHOPSA-N 0 2 619.512 6.529 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000103843309 571362635 /nfs/dbraw/zinc/36/26/35/571362635.db2.gz KIQBGDYKBIZSGW-SRZZPIQSSA-N 0 2 579.378 5.291 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OC)c1OCc1cccc(F)c1 ZINC000103846398 571363449 /nfs/dbraw/zinc/36/34/49/571363449.db2.gz MHOHVLPHQMGOFV-VTNSRFBWSA-N 0 2 620.721 7.276 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1ccc(I)cc1 ZINC000103850709 571364627 /nfs/dbraw/zinc/36/46/27/571364627.db2.gz GKYBFIDYSOVBQP-OEAKJJBVSA-N 0 2 612.395 5.413 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000103850758 571364839 /nfs/dbraw/zinc/36/48/39/571364839.db2.gz LVGBOZGYVLRODR-LPYMAVHISA-N 0 2 569.416 6.505 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1OCc1ccccc1C#N ZINC000103859536 571367286 /nfs/dbraw/zinc/36/72/86/571367286.db2.gz CPTVKVFCQHQEFE-MFKUBSTISA-N 0 2 586.442 5.693 40 30 KKEBLN C=CCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1Br ZINC000103859914 571367436 /nfs/dbraw/zinc/36/74/36/571367436.db2.gz DKDNKIYRGHWTCT-AUWJEWJLSA-N 0 2 585.046 5.205 40 30 KKEBLN COc1ccc(NS(=O)(=O)c2ccc(/N=C\c3c4ccccc4nc4cc(Cl)ccc43)cc2)nn1 ZINC000104268889 571378107 /nfs/dbraw/zinc/37/81/07/571378107.db2.gz DHCJMPOIMWQZIU-DICXZTSXSA-N 0 2 503.971 5.391 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N/c3ccc(OC(F)F)cc3)N(C[C@H]3CCCO3)C2=O)cc1Cl ZINC000105525078 571407246 /nfs/dbraw/zinc/40/72/46/571407246.db2.gz SZEIRBUHWPUFNT-DPTQLOKPSA-N 0 2 539.988 5.089 40 30 KKEBLN COc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(OC(F)F)cc3)N(C[C@H]3CCCO3)C2=O)cc1Cl ZINC000105525078 571407249 /nfs/dbraw/zinc/40/72/49/571407249.db2.gz SZEIRBUHWPUFNT-DPTQLOKPSA-N 0 2 539.988 5.089 40 30 KKEBLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC=CC1N(C)c2ccccc2C1(C)C ZINC000105531379 571407400 /nfs/dbraw/zinc/40/74/00/571407400.db2.gz YHAOTYSETHQLGD-BMBVXPEGSA-N 0 2 521.599 5.113 40 30 KKEBLN COC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)CO/N=C1/C=C2CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000118918269 571444568 /nfs/dbraw/zinc/44/45/68/571444568.db2.gz QEJFEIOBCOMMKR-CUMSXPBRSA-N 0 2 609.720 5.041 40 30 KKEBLN O=C(CSc1nc2ccc(N=Cc3cc(Br)c(O)c(Br)c3)cc2s1)c1ccc(-c2ccccc2)cc1 ZINC000150383253 571467674 /nfs/dbraw/zinc/46/76/74/571467674.db2.gz VOIMBEPQRMNIOE-IBBHUPRXSA-N 0 2 638.406 8.920 40 30 KKEBLN Oc1c(Br)cc(Br)cc1/C=N\c1ccc(Oc2ccc(/N=C\c3cc(Br)cc(Br)c3O)cc2)cc1 ZINC000150406540 571479628 /nfs/dbraw/zinc/47/96/28/571479628.db2.gz DUKADOPRWIQVPZ-ZCGSTTEMSA-N 0 2 724.041 9.441 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N\c3ccccc3)N(CCNc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)C2=O)cc1 ZINC000150413985 571484932 /nfs/dbraw/zinc/48/49/32/571484932.db2.gz GXZPMVPWZKXKNW-MHHIIQDZSA-N 0 2 646.811 8.035 40 30 KKEBLN COc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3)N(CCNc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)C2=O)cc1 ZINC000150413985 571484935 /nfs/dbraw/zinc/48/49/35/571484935.db2.gz GXZPMVPWZKXKNW-MHHIIQDZSA-N 0 2 646.811 8.035 40 30 KKEBLN COc1ccc(C(=O)/C=C\c2ccc(OCCCCCCCCCCOc3ccc(/C=C\C(=O)c4ccc(OC)cc4)cc3)cc2)cc1 ZINC000150441028 571498219 /nfs/dbraw/zinc/49/82/19/571498219.db2.gz PBMJSICNGYORIH-VHUXLRGGSA-N 0 2 646.824 10.075 40 30 KKEBLN Oc1cc(Br)c(/N=C/c2cc(I)cc(I)c2O)c(Br)c1 ZINC000150599671 571522514 /nfs/dbraw/zinc/52/25/14/571522514.db2.gz KURBSBMSZWAOBV-BLLMUTORSA-N 0 2 622.820 5.583 40 30 KKEBLN CC1(C)CC[C@]2(C(=O)N3CCOCC3)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CCC(=NOC(=O)C[C@@H]6SC(=O)NC6=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000157544541 571529755 /nfs/dbraw/zinc/52/97/55/571529755.db2.gz WJRJONZDINDKQJ-XBVOEXRNSA-N 0 2 695.967 7.288 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCC(=O)OCC ZINC000164309081 571545287 /nfs/dbraw/zinc/54/52/87/571545287.db2.gz CWMBOCCEVITLCF-MZJWZYIUSA-N 0 2 647.566 6.254 40 30 KKEBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000164307511 571545341 /nfs/dbraw/zinc/54/53/41/571545341.db2.gz VOWNTKXXFMVIOS-AMVVHIIESA-N 0 2 727.599 7.275 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OCC)c1OCc1ccc2ccccc2c1 ZINC000164351230 571546282 /nfs/dbraw/zinc/54/62/82/571546282.db2.gz XGJISZIQLWSSKZ-FDALDRLYSA-N 0 2 666.818 8.680 40 30 KKEBLN O=C(CSc1nc2ccc(N=Cc3cc([N+](=O)[O-])ccc3O)cc2s1)Nc1ccc2nc(SCC(=O)c3ccc(Br)cc3)sc2c1 ZINC000164462711 571548373 /nfs/dbraw/zinc/54/83/73/571548373.db2.gz ORPNBEYGLVRHRB-ZHSUKTGHSA-N 0 2 750.703 8.739 40 30 KKEBLN O=C(CSc1nc2ccc(N=Cc3ccc(O)c([N+](=O)[O-])c3)cc2s1)Nc1ccc2nc(SCC(=O)c3ccc(Br)cc3)sc2c1 ZINC000164462183 571548453 /nfs/dbraw/zinc/54/84/53/571548453.db2.gz NFPLADWLYQAUCK-ZHSUKTGHSA-N 0 2 750.703 8.739 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000164471892 571548576 /nfs/dbraw/zinc/54/85/76/571548576.db2.gz IAMNWPOMENWNFD-YDZHTSKRSA-N 0 2 630.322 7.129 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OCc1ccc(I)cc1 ZINC000164471607 571548648 /nfs/dbraw/zinc/54/86/48/571548648.db2.gz IZCCEJVMDHYIGU-OEAKJJBVSA-N 0 2 673.301 6.036 40 30 KKEBLN CCCCCCCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000408538218 572197439 /nfs/dbraw/zinc/19/74/39/572197439.db2.gz KHVUPXPCSWHORZ-LTGZKZEYSA-N 0 2 529.431 5.863 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000408538449 572197950 /nfs/dbraw/zinc/19/79/50/572197950.db2.gz NADFAISPSNHPJV-XSFVSMFZSA-N 0 2 502.970 5.893 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OCC ZINC000408538577 572198616 /nfs/dbraw/zinc/19/86/16/572198616.db2.gz OWISOLARKHEVOH-JWGURIENSA-N 0 2 557.043 5.931 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1OC ZINC000408538474 572198763 /nfs/dbraw/zinc/19/87/63/572198763.db2.gz NLKJTHCKSWMJOH-CJLVFECKSA-N 0 2 529.033 6.153 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Br ZINC000408538693 572199079 /nfs/dbraw/zinc/19/90/79/572199079.db2.gz PEHGDWXYKLMVLT-UYRXBGFRSA-N 0 2 623.298 6.526 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OCC ZINC000408539361 572202030 /nfs/dbraw/zinc/20/20/30/572202030.db2.gz VXTJKNJHPPEVOH-JWGURIENSA-N 0 2 601.494 6.040 40 30 KKEBLN CCCCCCCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCCC)c(OCC)c3)C2=O)cc1OC ZINC000408540026 572204164 /nfs/dbraw/zinc/20/41/64/572204164.db2.gz LXYQRVKYDZPZNR-LYBHJNIJSA-N 0 2 552.668 6.288 40 30 KKEBLN CCCCCCCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OCCC)c(OCC)c2)C1=O ZINC000408540305 572205000 /nfs/dbraw/zinc/20/50/00/572205000.db2.gz PUVMOPMGFGTAIT-LYBHJNIJSA-N 0 2 601.538 7.042 40 30 KKEBLN C=CCOC(=O)c1ccc(-c2ccc(C(c3c(C)[nH]n(-c4ccccc4)c3=O)c3c(C)[nH]n(-c4ccccc4)c3=O)o2)cc1 ZINC000108423060 1069717337 /nfs/dbraw/zinc/71/73/37/1069717337.db2.gz AQYLSCMJVMNPPB-UHFFFAOYSA-N 0 2 586.648 6.869 40 30 KKEBLN C=CCOc1ccc(C(c2c(C)[nH]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1OCC ZINC000108423256 1069719319 /nfs/dbraw/zinc/71/93/19/1069719319.db2.gz UKKKWMLSGBSSSC-UHFFFAOYSA-N 0 2 536.632 6.230 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408983703 1069767616 /nfs/dbraw/zinc/76/76/16/1069767616.db2.gz NOGAKALNTUILAA-FBHDLOMBSA-N 0 2 634.741 7.692 40 30 KKEBLN C=CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1CC=C ZINC000408784417 1069911484 /nfs/dbraw/zinc/91/14/84/1069911484.db2.gz BSANTDJKXYZPJW-LDADJPATSA-N 0 2 501.764 5.062 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OCc1ccc2ccccc2c1 ZINC000408786844 1069922277 /nfs/dbraw/zinc/92/22/77/1069922277.db2.gz ONKWKOFGOMHQTB-RDRPBHBLSA-N 0 2 546.623 6.439 40 30 KKEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1Br ZINC000408825806 1070013878 /nfs/dbraw/zinc/01/38/78/1070013878.db2.gz JMBYIFDSFDLMHD-HZHRSRAPSA-N 0 2 545.389 5.015 40 30 KKEBLN C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1OC ZINC000408830473 1070017816 /nfs/dbraw/zinc/01/78/16/1070017816.db2.gz POWTVHOHGMCWPI-LPYMAVHISA-N 0 2 595.833 5.369 40 30 KKEBLN C=CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O ZINC000408836575 1070027720 /nfs/dbraw/zinc/02/77/20/1070027720.db2.gz SQSOHIUZSMXDCV-LPYMAVHISA-N 0 2 602.268 6.566 40 30 KKEBLN C#CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1OCC ZINC000408833592 1070031566 /nfs/dbraw/zinc/03/15/66/1070031566.db2.gz TUWKURZALLUGRO-OEAKJJBVSA-N 0 2 654.311 5.868 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408846990 1070055139 /nfs/dbraw/zinc/05/51/39/1070055139.db2.gz OOFCDNGXDXIZMY-WCMJOSRZSA-N 0 2 685.648 8.834 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408859840 1070076606 /nfs/dbraw/zinc/07/66/06/1070076606.db2.gz ZUHPQDPLKMIMMG-ZVHZXABRSA-N 0 2 535.427 6.584 40 30 KKEBLN O=C1/C(=C/c2cc(Cl)c(O)c(Br)c2)S/C(=N\c2ccc([N+](=O)[O-])cc2)N1CCc1c[nH]c2ccccc12 ZINC000408935217 1070272277 /nfs/dbraw/zinc/27/22/77/1070272277.db2.gz MZVRDBTVCQBZFJ-OZOPNLFCSA-N 0 2 597.878 7.044 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408984946 1070345073 /nfs/dbraw/zinc/34/50/73/1070345073.db2.gz UOOHSTLHGIBUBH-UQQQWYQISA-N 0 2 500.982 5.876 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000408993248 1070354509 /nfs/dbraw/zinc/35/45/09/1070354509.db2.gz VYEGVFRGROVNAV-MYYYXRDXSA-N 0 2 570.443 5.857 40 30 KKEBLN C=CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cc(Cl)ccc2C)C1=O ZINC000409043600 1070449470 /nfs/dbraw/zinc/44/94/70/1070449470.db2.gz RXSWQJGYJHMRGE-OVCLIPMQSA-N 0 2 554.622 5.405 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000409074737 1070487573 /nfs/dbraw/zinc/48/75/73/1070487573.db2.gz REGGIZZLSNYFQB-CIAFOILYSA-N 0 2 616.295 6.738 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000409072951 1070499228 /nfs/dbraw/zinc/49/92/28/1070499228.db2.gz OBJLZOWVEUJZRJ-VUTHCHCSSA-N 0 2 590.632 5.999 40 30 KKEBLN Cc1ccc(/N=C2\S/C(=C/c3cc(Br)c(O)c(Br)c3)C(=O)N2Cc2ccccc2)cc1 ZINC000408909017 1070980032 /nfs/dbraw/zinc/98/00/32/1070980032.db2.gz BMEQSZMVWJOFDS-CIFGJUBISA-N 0 2 558.295 7.030 40 30 KKEBLN Cc1ccc(/N=C2\S/C(=C/c3cc(Br)c(O)c(Br)c3)C(=O)N2C(C)C)cc1 ZINC000408912020 1071058773 /nfs/dbraw/zinc/05/87/73/1071058773.db2.gz LPPYZZGIXSFYNO-HBAVDNSESA-N 0 2 510.251 6.238 40 30 KKEBLN C=CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OCC ZINC000408948771 1071364353 /nfs/dbraw/zinc/36/43/53/1071364353.db2.gz GPIXNAYLTVVIDR-DHRITJCHSA-N 0 2 652.529 6.389 40 30 KKEBLN N#Cc1ccccc1COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Br ZINC000408947903 1071368974 /nfs/dbraw/zinc/36/89/74/1071368974.db2.gz DNAKMAJZHDCPHB-KVSWJAHQSA-N 0 2 670.991 7.687 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000408955942 1071382286 /nfs/dbraw/zinc/38/22/86/1071382286.db2.gz VIBBSAKKDVEKAU-SSDVNMTOSA-N 0 2 595.435 6.095 40 30 KKEBLN O=C([O-])c1ccc(COc2ccccc2/C=C2\SC(=Nc3ccccc3)N(CCC[NH+]3CCOCC3)C2=O)cc1 ZINC000408960097 1071433727 /nfs/dbraw/zinc/43/37/27/1071433727.db2.gz JKBCDRDAWIXUBD-QBGQFJQCSA-N 0 2 557.672 5.290 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccc2c(c1)OCO2 ZINC000408987194 1071483200 /nfs/dbraw/zinc/48/32/00/1071483200.db2.gz DZXAFUMDKGGNCA-FMCGGJTJSA-N 0 2 575.017 5.750 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408985907 1071494631 /nfs/dbraw/zinc/49/46/31/1071494631.db2.gz YSEXZOUBSJSOPF-UQQQWYQISA-N 0 2 545.433 5.985 40 30 KKEBLN Cc1c(C=C2C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c2ccccc2n1Cc1ccccc1C#N ZINC000408985741 1071498623 /nfs/dbraw/zinc/49/86/23/1071498623.db2.gz YHBXAZKMSISOQO-OYKKKHCWSA-N 0 2 508.965 5.498 40 30 KKEBLN C=CCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1I ZINC000408985111 1071503272 /nfs/dbraw/zinc/50/32/72/1071503272.db2.gz VIZUMHXADPHOPA-AUWJEWJLSA-N 0 2 601.622 5.247 40 30 KKEBLN C=CCOc1cc(Br)c(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OCC ZINC000408983939 1071514112 /nfs/dbraw/zinc/51/41/12/1071514112.db2.gz ORTILNXYFXMULA-SXGWCWSVSA-N 0 2 519.779 5.041 40 30 KKEBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCc4ccccc4C#N)c(Cl)c3)C2=O)cc1 ZINC000408982391 1071527888 /nfs/dbraw/zinc/52/78/88/1071527888.db2.gz GSVJVBKRRNCWIO-NHDPSOOVSA-N 0 2 520.372 5.673 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000408987541 1071611962 /nfs/dbraw/zinc/61/19/62/1071611962.db2.gz FQQQNIXXRCFEEX-ONUIUJJFSA-N 0 2 528.580 5.761 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408752089 1071666701 /nfs/dbraw/zinc/66/67/01/1071666701.db2.gz FUJCIJDMUYSRDM-LPYMAVHISA-N 0 2 655.299 6.402 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1cccc(C)c1 ZINC000408758530 1071705149 /nfs/dbraw/zinc/70/51/49/1071705149.db2.gz LWDITPPGEMPFNM-LFVJCYFKSA-N 0 2 545.433 6.040 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000408764043 1071730216 /nfs/dbraw/zinc/73/02/16/1071730216.db2.gz RIYNTEZSWOKTDV-LPYMAVHISA-N 0 2 736.198 7.099 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408763696 1071730627 /nfs/dbraw/zinc/73/06/27/1071730627.db2.gz UHTXNNMNRYTWFX-FYJGNVAPSA-N 0 2 600.296 7.038 40 30 KKEBLN O=C(NCc1ccccc1)c1c(/N=C\c2cc(Br)c(O)c(Br)c2)sc2c1CCCC2 ZINC000408775661 1071753131 /nfs/dbraw/zinc/75/31/31/1071753131.db2.gz JROZWCLTLAOHAS-WKIKZPBSSA-N 0 2 548.300 6.538 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408772631 1071772214 /nfs/dbraw/zinc/77/22/14/1071772214.db2.gz PZEQEODVGUCCGM-OEAKJJBVSA-N 0 2 547.951 5.231 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000408772438 1071774624 /nfs/dbraw/zinc/77/46/24/1071774624.db2.gz LREVLECJQVQTJG-OEAKJJBVSA-N 0 2 520.944 5.462 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408771538 1071780582 /nfs/dbraw/zinc/78/05/82/1071780582.db2.gz IWWAYHKDSJPVJG-OEAKJJBVSA-N 0 2 549.396 5.871 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OCc1ccccc1 ZINC000408771051 1071782744 /nfs/dbraw/zinc/78/27/44/1071782744.db2.gz FAKCJZYPWFXJGW-HZHRSRAPSA-N 0 2 502.954 5.323 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408782290 1071811849 /nfs/dbraw/zinc/81/18/49/1071811849.db2.gz GRMGVQJCFQZHLM-ZVHZXABRSA-N 0 2 579.480 6.983 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OCc1ccccc1C#N ZINC000408780804 1071821827 /nfs/dbraw/zinc/82/18/27/1071821827.db2.gz LCEXGCAEBXWIOG-CVKSISIWSA-N 0 2 521.573 5.158 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000408780661 1071822566 /nfs/dbraw/zinc/82/25/66/1071822566.db2.gz HJYQEDVEGKUBPW-PCLIKHOPSA-N 0 2 528.580 5.815 40 30 KKEBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3C#N)C2=O)c1 ZINC000408779270 1071831440 /nfs/dbraw/zinc/83/14/40/1071831440.db2.gz TVPWDDBDKJYXSI-YDZHTSKRSA-N 0 2 530.378 5.183 40 30 KKEBLN C=CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1Br ZINC000409044414 1071850353 /nfs/dbraw/zinc/85/03/53/1071850353.db2.gz CSMYRFZHQGHSMY-MDWZMJQESA-N 0 2 554.622 5.405 40 30 KKEBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000408783430 1071869811 /nfs/dbraw/zinc/86/98/11/1071869811.db2.gz PBBINRQJDAKGRS-SRZZPIQSSA-N 0 2 580.822 5.618 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409065411 1072010142 /nfs/dbraw/zinc/01/01/42/1072010142.db2.gz LMJQWCXILFRVBY-KGENOOAVSA-N 0 2 537.399 5.976 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000409075156 1072062910 /nfs/dbraw/zinc/06/29/10/1072062910.db2.gz PBLLFKBNORGWHJ-KOEQRZSOSA-N 0 2 553.014 6.476 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000409073739 1072073187 /nfs/dbraw/zinc/07/31/87/1072073187.db2.gz IFQUVTRIZPELJZ-PXLXIMEGSA-N 0 2 502.954 5.323 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409073403 1072075198 /nfs/dbraw/zinc/07/51/98/1072075198.db2.gz YPBLNEVCGGDYOB-CJLVFECKSA-N 0 2 581.046 5.210 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000409072918 1072077911 /nfs/dbraw/zinc/07/79/11/1072077911.db2.gz FHRBTHAKFHUHLU-KGENOOAVSA-N 0 2 551.426 6.284 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000409072240 1072084099 /nfs/dbraw/zinc/08/40/99/1072084099.db2.gz MTCYDKNDAKFYRU-PXLXIMEGSA-N 0 2 565.453 6.674 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409073045 1072079327 /nfs/dbraw/zinc/07/93/27/1072079327.db2.gz ONDZUBVQUHNJMP-BUVRLJJBSA-N 0 2 595.073 5.518 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000409072430 1072083119 /nfs/dbraw/zinc/08/31/19/1072083119.db2.gz CCYQEVXIZVWJKC-QCFMCPCVSA-N 0 2 638.720 7.791 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OCC)c1OCCC ZINC000409070138 1072098824 /nfs/dbraw/zinc/09/88/24/1072098824.db2.gz KRJRQBKSHQHGQX-LDADJPATSA-N 0 2 503.382 5.576 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000409069955 1072099214 /nfs/dbraw/zinc/09/92/14/1072099214.db2.gz BSUHHUBLKIDFEO-NLRVBDNBSA-N 0 2 526.589 5.458 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000409070001 1072097410 /nfs/dbraw/zinc/09/74/10/1072097410.db2.gz KGFZYUFGPZGFNF-YDZHTSKRSA-N 0 2 592.402 5.340 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409070036 1072097898 /nfs/dbraw/zinc/09/78/98/1072097898.db2.gz ZICODNZAEZRAHJ-HZHRSRAPSA-N 0 2 565.453 6.674 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000409069611 1072100980 /nfs/dbraw/zinc/10/09/80/1072100980.db2.gz WIFCHNJGFJXCLS-HZHRSRAPSA-N 0 2 545.523 5.107 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409069544 1072103607 /nfs/dbraw/zinc/10/36/07/1072103607.db2.gz LJSBLBMFJAOZKV-PXLXIMEGSA-N 0 2 561.978 5.621 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000409068904 1072107720 /nfs/dbraw/zinc/10/77/20/1072107720.db2.gz KEBRXPXLVLNXEN-LPYMAVHISA-N 0 2 551.426 6.284 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409068542 1072109787 /nfs/dbraw/zinc/10/97/87/1072109787.db2.gz AZGXOJZYMLFHSL-VUTHCHCSSA-N 0 2 659.116 6.090 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409092637 1072259754 /nfs/dbraw/zinc/25/97/54/1072259754.db2.gz XKWUOPHIOUOZAW-FYJGNVAPSA-N 0 2 626.500 6.108 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409091749 1072270077 /nfs/dbraw/zinc/27/00/77/1072270077.db2.gz UDXGKSIZQRHYLM-MTDXEUNCSA-N 0 2 687.627 7.779 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409090311 1072281692 /nfs/dbraw/zinc/28/16/92/1072281692.db2.gz OUZHIEHCPCVNSK-LPYMAVHISA-N 0 2 572.530 5.316 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409089783 1072286750 /nfs/dbraw/zinc/28/67/50/1072286750.db2.gz KARHYGMURJJPRG-FYJGNVAPSA-N 0 2 625.512 5.596 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409087441 1072308639 /nfs/dbraw/zinc/30/86/39/1072308639.db2.gz UDHTUYUMRQBBTA-XDHOZWIPSA-N 0 2 615.948 6.771 40 30 KKEBLN CCOc1cc(C=C2SC(=N)C(c3nccs3)=C2O)cc(I)c1OCc1ccc(Br)cc1 ZINC000409333887 1072350220 /nfs/dbraw/zinc/35/02/20/1072350220.db2.gz FJKJFYLYQKJUQF-BRTRIKAXSA-N 0 2 641.350 6.906 40 30 KKEBLN CCc1nnc(C2=C(O)C(=Cc3ccc(OCc4ccccc4)c(Br)c3)SC2=N)s1 ZINC000409333937 1072350712 /nfs/dbraw/zinc/35/07/12/1072350712.db2.gz GBAPNMWNWOLWLG-FDKCTOBMSA-N 0 2 500.443 5.860 40 30 KKEBLN CCOc1cc(C=C2SC(=N)C(c3nccs3)=C2O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409333821 1072349708 /nfs/dbraw/zinc/34/97/08/1072349708.db2.gz DFGFHKBYTIZPNR-BRTRIKAXSA-N 0 2 594.350 7.064 40 30 KKEBLN CCc1nnc(C2=C(O)C(=Cc3ccc(OCC(=O)Nc4ccccc4Cl)c(OC)c3)SC2=N)s1 ZINC000409336958 1072405820 /nfs/dbraw/zinc/40/58/20/1072405820.db2.gz RMVMCVBYLSUQDY-UVPUAOMFSA-N 0 2 529.043 5.198 40 30 KKEBLN CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)ccc1OCc1ccc2c(c1)OCO2 ZINC000409336950 1072405840 /nfs/dbraw/zinc/40/58/40/1072405840.db2.gz RJFBTULSQDDMTP-CPRPDSFRSA-N 0 2 509.609 5.225 40 30 KKEBLN CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1 ZINC000001532103 551683975 /nfs/dbraw/zinc/68/39/75/551683975.db2.gz INISTDXBRIBGOC-RPWUZVMVSA-N 0 2 502.920 7.396 40 30 in-vitro KKEBLN O=C(Oc1cc(Cl)ccc1Cl)c1ccc(/C=N/c2ccc(O)c(-c3nc4ccccc4o3)c2)cc1 ZINC000001883689 551724923 /nfs/dbraw/zinc/72/49/23/551724923.db2.gz WATYECSEWAACSJ-FJEPWZHXSA-N 0 2 503.341 7.477 40 30 KKEBLN Cc1cccc(C)c1/N=C1/SC(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C(=O)N1C[C@H]1CCCO1 ZINC000003245737 552320486 /nfs/dbraw/zinc/32/04/86/552320486.db2.gz FEUDYXFFZJZTPN-GTBOGQNMSA-N 0 2 540.007 6.115 40 30 KKEBLN Cc1cccc(C)c1/N=C1/S[C@H](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C(=O)N1C[C@H]1CCCO1 ZINC000003245737 552320490 /nfs/dbraw/zinc/32/04/90/552320490.db2.gz FEUDYXFFZJZTPN-GTBOGQNMSA-N 0 2 540.007 6.115 40 30 KKEBLN Cc1ccc(/N=C2/SC(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2C[C@@H]2CCCO2)c(C)c1 ZINC000003251307 552322204 /nfs/dbraw/zinc/32/22/04/552322204.db2.gz LFEUYMFDDBOWLH-GOJTZIFLSA-N 0 2 540.900 6.403 40 30 KKEBLN Cc1ccc(/N=C2/S[C@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2C[C@@H]2CCCO2)c(C)c1 ZINC000003251307 552322209 /nfs/dbraw/zinc/32/22/09/552322209.db2.gz LFEUYMFDDBOWLH-GOJTZIFLSA-N 0 2 540.900 6.403 40 30 KKEBLN Cc1ccc(NC(=O)CC2S/C(=N\N=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)NC2=O)cc1 ZINC000003281538 552336084 /nfs/dbraw/zinc/33/60/84/552336084.db2.gz QTKOPTSTSFDFAO-KSRKCLLLSA-N 0 2 501.395 5.512 40 30 KKEBLN Cc1ccc(NC(=O)C[C@H]2S/C(=N\N=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)NC2=O)cc1 ZINC000003281538 552336087 /nfs/dbraw/zinc/33/60/87/552336087.db2.gz QTKOPTSTSFDFAO-KSRKCLLLSA-N 0 2 501.395 5.512 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N/c3ccc(C)cc3C)N(Cc3ccc4c(c3)OCO4)C2=O)cc1OC ZINC000003283620 552336638 /nfs/dbraw/zinc/33/66/38/552336638.db2.gz NUFZQNORVHGQTE-RYRBQSRMSA-N 0 2 547.633 5.210 40 30 KKEBLN COc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(C)cc3C)N(Cc3ccc4c(c3)OCO4)C2=O)cc1OC ZINC000003283620 552336640 /nfs/dbraw/zinc/33/66/40/552336640.db2.gz NUFZQNORVHGQTE-RYRBQSRMSA-N 0 2 547.633 5.210 40 30 KKEBLN Cc1ccc(C)c(/N=C2/SC(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2Cc2ccc3c(c2)OCO3)c1 ZINC000003316289 552353925 /nfs/dbraw/zinc/35/39/25/552353925.db2.gz DOGLEYAQTKALQV-NYARCVKBSA-N 0 2 590.916 7.153 40 30 KKEBLN Cc1ccc(C)c(/N=C2/S[C@@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2Cc2ccc3c(c2)OCO3)c1 ZINC000003316289 552353929 /nfs/dbraw/zinc/35/39/29/552353929.db2.gz DOGLEYAQTKALQV-NYARCVKBSA-N 0 2 590.916 7.153 40 30 KKEBLN Cc1ccc(/N=C2/SC(CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2Cc2ccc3c(c2)OCO3)c(C)c1 ZINC000003328713 552358472 /nfs/dbraw/zinc/35/84/72/552358472.db2.gz CKWHDWXDURZQFF-SOAOMDFOSA-N 0 2 555.578 6.211 40 30 KKEBLN Cc1ccc(/N=C2/S[C@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2Cc2ccc3c(c2)OCO3)c(C)c1 ZINC000003328713 552358474 /nfs/dbraw/zinc/35/84/74/552358474.db2.gz CKWHDWXDURZQFF-SOAOMDFOSA-N 0 2 555.578 6.211 40 30 KKEBLN Cc1cc(N[NH+]=Cc2ccc(N(C)C)cc2)nc(-c2cc(Br)cc(Br)c2[O-])n1 ZINC000006194645 552566318 /nfs/dbraw/zinc/56/63/18/552566318.db2.gz IPKBZTGRLSBJOP-FOKLQQMPSA-N 0 2 505.214 5.195 40 30 KKEBLN CCOc1ccccc1/N=C1/SC(CC(=O)Nc2ccc(OC)cc2OC)C(=O)N1CCC1=CCCCC1 ZINC000008693863 553118786 /nfs/dbraw/zinc/11/87/86/553118786.db2.gz TZKJBEKVGWESCA-LWPYMBBZSA-N 0 2 537.682 5.953 40 30 KKEBLN CCOc1ccccc1/N=C1/S[C@@H](CC(=O)Nc2ccc(OC)cc2OC)C(=O)N1CCC1=CCCCC1 ZINC000008693863 553118790 /nfs/dbraw/zinc/11/87/90/553118790.db2.gz TZKJBEKVGWESCA-LWPYMBBZSA-N 0 2 537.682 5.953 40 30 KKEBLN O=[N+]([O-])c1ccc(NN=Cc2ccc(Cl)c([N+](=O)[O-])c2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000012600676 553401658 /nfs/dbraw/zinc/40/16/58/553401658.db2.gz OKPVAPBLFTYVNK-SSDVNMTOSA-N 0 2 510.315 5.057 40 30 KKEBLN O=[N+]([O-])c1ccc(N=NCc2ccc(Cl)c([N+](=O)[O-])c2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000012600676 553401659 /nfs/dbraw/zinc/40/16/59/553401659.db2.gz OKPVAPBLFTYVNK-SSDVNMTOSA-N 0 2 510.315 5.057 40 30 KKEBLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC(C)c1ccc(Cl)c(Cl)c1 ZINC000012621894 553403940 /nfs/dbraw/zinc/40/39/40/553403940.db2.gz VFHWUASUOXYMCO-ZMOGYAJESA-N 0 2 509.371 5.547 40 30 KKEBLN CCOc1ccccc1/N=C1\SC(CC(=O)Nc2cccc(Cl)c2C)C(=O)N1CCC1=CCCCC1 ZINC000015911404 553541280 /nfs/dbraw/zinc/54/12/80/553541280.db2.gz XVLWHWSHTSJMAO-PGWWVJEZSA-N 0 2 526.102 6.898 40 30 KKEBLN CCOc1ccccc1/N=C1\S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1CCC1=CCCCC1 ZINC000015911404 553541283 /nfs/dbraw/zinc/54/12/83/553541283.db2.gz XVLWHWSHTSJMAO-PGWWVJEZSA-N 0 2 526.102 6.898 40 30 KKEBLN Cc1c(Cl)cccc1NC(=O)CC1S/C(=N\c2cccc3ccccc32)N([C@H](C)CCC(C)C)C1=O ZINC000015911830 553541489 /nfs/dbraw/zinc/54/14/89/553541489.db2.gz AWSAQSQQQUGZSK-ZFTUQLPHSA-N 0 2 522.114 7.587 40 30 KKEBLN Cc1c(Cl)cccc1NC(=O)C[C@H]1S/C(=N\c2cccc3ccccc32)N([C@H](C)CCC(C)C)C1=O ZINC000015911830 553541490 /nfs/dbraw/zinc/54/14/90/553541490.db2.gz AWSAQSQQQUGZSK-ZFTUQLPHSA-N 0 2 522.114 7.587 40 30 KKEBLN Cc1c(Cl)cccc1NC(=O)CC1S/C(=N\c2cccc3ccccc32)N([C@H](C)CCC(C)C)C1=O ZINC000015911835 553541502 /nfs/dbraw/zinc/54/15/02/553541502.db2.gz AWSAQSQQQUGZSK-ZZQKLOJYSA-N 0 2 522.114 7.587 40 30 KKEBLN Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N\c2cccc3ccccc32)N([C@H](C)CCC(C)C)C1=O ZINC000015911835 553541503 /nfs/dbraw/zinc/54/15/03/553541503.db2.gz AWSAQSQQQUGZSK-ZZQKLOJYSA-N 0 2 522.114 7.587 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3ccc(OC)cc3)C(=O)N2Cc2cccs2)cc1 ZINC000020168752 553601396 /nfs/dbraw/zinc/60/13/96/553601396.db2.gz YPBFFWHGWMBOHM-HMHYKHAESA-N 0 2 523.636 5.094 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@H](CC(=O)Nc3ccc(OC)cc3)C(=O)N2Cc2cccs2)cc1 ZINC000020168752 553601398 /nfs/dbraw/zinc/60/13/98/553601398.db2.gz YPBFFWHGWMBOHM-HMHYKHAESA-N 0 2 523.636 5.094 40 30 KKEBLN COc1cc([N+](=O)[O-])ccc1NC(=O)CC1S/C(=N/c2ccc(F)cc2)N(CCC2=CCCCC2)C1=O ZINC000018089247 553603632 /nfs/dbraw/zinc/60/36/32/553603632.db2.gz IBDSTXCUTXVBOG-GYRUEZOASA-N 0 2 526.590 5.593 40 30 KKEBLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H]1S/C(=N/c2ccc(F)cc2)N(CCC2=CCCCC2)C1=O ZINC000018089247 553603638 /nfs/dbraw/zinc/60/36/38/553603638.db2.gz IBDSTXCUTXVBOG-GYRUEZOASA-N 0 2 526.590 5.593 40 30 KKEBLN O=C(CC1S/C(=N\c2ccccc2)N(CCc2ccc(F)cc2)C1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000020508868 553668483 /nfs/dbraw/zinc/66/84/83/553668483.db2.gz DVBGKKWYINOYSI-XNTIDICGSA-N 0 2 516.425 6.336 40 30 KKEBLN O=C(C[C@@H]1S/C(=N\c2ccccc2)N(CCc2ccc(F)cc2)C1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000020508868 553668484 /nfs/dbraw/zinc/66/84/84/553668484.db2.gz DVBGKKWYINOYSI-XNTIDICGSA-N 0 2 516.425 6.336 40 30 KKEBLN COc1ccccc1NS(=O)(=O)c1ccc(N=NC(C)c2ccccc2Br)c([N+](=O)[O-])c1 ZINC000096022295 553720753 /nfs/dbraw/zinc/72/07/53/553720753.db2.gz XCXBZMQZXKZSPX-UCQKPKSFSA-N 0 2 519.377 5.003 40 30 KKEBLN C=CCOc1cccc([C@@H]2C(S(=O)(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 ZINC000027333004 553825604 /nfs/dbraw/zinc/82/56/04/553825604.db2.gz JKDXZLPXYYTPMX-JOCHJYFZSA-N 0 2 516.402 5.890 40 30 KKEBLN CC(/C=N/N=C1/SC(CC(=O)Nc2ccc(Cl)cc2)C(=O)N1Cc1ccco1)=C\c1ccccc1 ZINC000027642027 553835736 /nfs/dbraw/zinc/83/57/36/553835736.db2.gz QXNVYNWECDKDQE-QMBDEXLDSA-N 0 2 507.015 5.851 40 30 KKEBLN COc1ccccc1NS(=O)(=O)c1ccc(N=NC(C)c2ccc3c(c2)Nc2ccccc2S3)c([N+](=O)[O-])c1 ZINC000097980711 553990567 /nfs/dbraw/zinc/99/05/67/553990567.db2.gz RQUDJYYYKRBHBS-RHANQZHGSA-N 0 2 561.645 6.449 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N/c3cccc(Cl)c3C)N(CCc3ccc(Cl)cc3)C2=O)cc1Cl ZINC000097981984 553998574 /nfs/dbraw/zinc/99/85/74/553998574.db2.gz NZEYIAQYRMIRQT-NZCOHZFRSA-N 0 2 576.933 7.167 40 30 KKEBLN COc1ccc(NC(=O)C[C@H]2S/C(=N/c3cccc(Cl)c3C)N(CCc3ccc(Cl)cc3)C2=O)cc1Cl ZINC000097981984 553998577 /nfs/dbraw/zinc/99/85/77/553998577.db2.gz NZEYIAQYRMIRQT-NZCOHZFRSA-N 0 2 576.933 7.167 40 30 KKEBLN CCOc1ccc(/N=C2/SC(CC(=O)Nc3ccc(Oc4ccccc4)cc3)C(=O)N2Cc2ccccc2)cc1 ZINC000097982072 553999406 /nfs/dbraw/zinc/99/94/06/553999406.db2.gz MRKKSYIYDSWOPR-VWPMSSCDSA-N 0 2 551.668 7.038 40 30 KKEBLN CCOc1ccc(/N=C2/S[C@@H](CC(=O)Nc3ccc(Oc4ccccc4)cc3)C(=O)N2Cc2ccccc2)cc1 ZINC000097982072 553999416 /nfs/dbraw/zinc/99/94/16/553999416.db2.gz MRKKSYIYDSWOPR-VWPMSSCDSA-N 0 2 551.668 7.038 40 30 KKEBLN CCOc1ccc(/N=C2/SC(CC(=O)Nc3ccccc3Br)C(=O)N2Cc2ccco2)cc1 ZINC000097982075 553999494 /nfs/dbraw/zinc/99/94/94/553999494.db2.gz FTIVCTTZRRJARV-JXDROGBKSA-N 0 2 528.428 5.601 40 30 KKEBLN CCOc1ccc(/N=C2/S[C@H](CC(=O)Nc3ccccc3Br)C(=O)N2Cc2ccco2)cc1 ZINC000097982075 553999498 /nfs/dbraw/zinc/99/94/98/553999498.db2.gz FTIVCTTZRRJARV-JXDROGBKSA-N 0 2 528.428 5.601 40 30 KKEBLN CCOc1ccc(/N=C2/SC(CC(=O)Nc3ccccc3Br)C(=O)N2Cc2ccco2)cc1 ZINC000097982074 553999523 /nfs/dbraw/zinc/99/95/23/553999523.db2.gz FTIVCTTZRRJARV-LRJXLTTPSA-N 0 2 528.428 5.601 40 30 KKEBLN CCOc1ccc(/N=C2/S[C@@H](CC(=O)Nc3ccccc3Br)C(=O)N2Cc2ccco2)cc1 ZINC000097982074 553999526 /nfs/dbraw/zinc/99/95/26/553999526.db2.gz FTIVCTTZRRJARV-LRJXLTTPSA-N 0 2 528.428 5.601 40 30 KKEBLN COc1ccc(/N=C2/SC(CC(=O)Nc3ccc(Br)cc3)C(=O)N2CCC2=CCCCC2)cc1 ZINC000097982069 553999543 /nfs/dbraw/zinc/99/95/43/553999543.db2.gz LBDOWGIYRPNWPK-XMQMNSMNSA-N 0 2 542.499 6.309 40 30 KKEBLN COc1ccc(/N=C2/S[C@H](CC(=O)Nc3ccc(Br)cc3)C(=O)N2CCC2=CCCCC2)cc1 ZINC000097982069 553999544 /nfs/dbraw/zinc/99/95/44/553999544.db2.gz LBDOWGIYRPNWPK-XMQMNSMNSA-N 0 2 542.499 6.309 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N/c3ccc(SC(F)F)cc3)N(C3CCCC3)C2=O)c(OC)c1 ZINC000097982099 553999836 /nfs/dbraw/zinc/99/98/36/553999836.db2.gz RPCYDQUPNIWZSK-JLGRXMNQSA-N 0 2 535.638 5.921 40 30 KKEBLN COc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(SC(F)F)cc3)N(C3CCCC3)C2=O)c(OC)c1 ZINC000097982099 553999840 /nfs/dbraw/zinc/99/98/40/553999840.db2.gz RPCYDQUPNIWZSK-JLGRXMNQSA-N 0 2 535.638 5.921 40 30 KKEBLN CCOc1ccccc1/N=C1/SC(CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1[C@@H](C)CCC(C)C ZINC000097982084 553999852 /nfs/dbraw/zinc/99/98/52/553999852.db2.gz ONMJSXAPMVKMLL-VMEJVKPUSA-N 0 2 535.632 6.889 40 30 KKEBLN CCOc1ccccc1/N=C1/S[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1[C@@H](C)CCC(C)C ZINC000097982084 553999853 /nfs/dbraw/zinc/99/98/53/553999853.db2.gz ONMJSXAPMVKMLL-VMEJVKPUSA-N 0 2 535.632 6.889 40 30 KKEBLN Cc1c(Cl)cccc1NC(=O)CC1S/C(=N/c2ccc(SC(F)F)cc2)N(Cc2ccccn2)C1=O ZINC000097982093 553999869 /nfs/dbraw/zinc/99/98/69/553999869.db2.gz KNHBGRZMYQXFEP-ODXZCNLHSA-N 0 2 547.052 6.519 40 30 KKEBLN Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N/c2ccc(SC(F)F)cc2)N(Cc2ccccn2)C1=O ZINC000097982093 553999872 /nfs/dbraw/zinc/99/98/72/553999872.db2.gz KNHBGRZMYQXFEP-ODXZCNLHSA-N 0 2 547.052 6.519 40 30 KKEBLN C[C@@H](Sc1nc2ccc(/N=C/c3cc(Br)c(O)c(Br)c3)cc2s1)C(=O)Nc1nccs1 ZINC000100097358 554218959 /nfs/dbraw/zinc/21/89/59/554218959.db2.gz NOMJENMTAUSRGE-CTWDJJQWSA-N 0 2 598.367 6.853 40 30 KKEBLN Cc1cccc(NN=C2C(=O)N(c3nc(-c4ccc(Br)cc4)cs3)N=C2c2ccccc2)c1C ZINC000100146677 554230381 /nfs/dbraw/zinc/23/03/81/554230381.db2.gz NYEOGRULWNYMNX-BGABXYSRSA-N 0 2 530.451 6.408 40 30 KKEBLN CCOc1ccc(NC(=O)CC2S/C(=N/c3ccccc3F)N(CCc3ccc(OC)cc3)C2=O)cc1 ZINC000100180219 554241515 /nfs/dbraw/zinc/24/15/15/554241515.db2.gz RKTKTMKTMXOWMG-BGVLTHFVSA-N 0 2 521.614 5.436 40 30 KKEBLN CCOc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccccc3F)N(CCc3ccc(OC)cc3)C2=O)cc1 ZINC000100180219 554241518 /nfs/dbraw/zinc/24/15/18/554241518.db2.gz RKTKTMKTMXOWMG-BGVLTHFVSA-N 0 2 521.614 5.436 40 30 KKEBLN CC[C@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Cc5ccccc5)cc([N+](=O)[O-])c4O)c3)nc2c1 ZINC000038180043 554273935 /nfs/dbraw/zinc/27/39/35/554273935.db2.gz HOAKWJOBGYLKFL-BKWZTHLVSA-N 0 2 505.574 7.964 40 30 KKEBLN COc1ccc(-c2sc(/N=C\c3cc(Br)cc(Br)c3O)c(C#N)c2C)cc1OC ZINC000100302468 554292014 /nfs/dbraw/zinc/29/20/14/554292014.db2.gz VVQVYVXBYATDGG-MRUKODCESA-N 0 2 536.245 6.594 40 30 KKEBLN C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000059135575 554381645 /nfs/dbraw/zinc/38/16/45/554381645.db2.gz WVXVZOQWAOFCQM-HYARGMPZSA-N 0 2 520.944 6.302 40 30 KKEBLN Cc1cc(C)c(NC(=O)CSc2nc3ccc(/N=C/c4cc([N+](=O)[O-])ccc4O)cc3s2)c(C)c1 ZINC000059461301 554396251 /nfs/dbraw/zinc/39/62/51/554396251.db2.gz XRMWWGZIQSKLEM-RPPGKUMJSA-N 0 2 506.609 6.317 40 30 KKEBLN CCCCCCCCCCCCCCCCn1c2ccccc2nc1/N=C\c1cc([N+](=O)[O-])ccc1O ZINC000100700866 554451671 /nfs/dbraw/zinc/45/16/71/554451671.db2.gz TXBSKHAJHWQOAB-QLTSDVKISA-N 0 2 506.691 8.882 40 30 KKEBLN Cc1cc(C)n(-c2nc(N=NCc3cc(Br)c(O)c(Br)c3)nc(Nc3ccc(Cl)cc3)n2)n1 ZINC000101537889 554795503 /nfs/dbraw/zinc/79/55/03/554795503.db2.gz OAIPQKBVVAEUSN-KIBLKLHPSA-N 0 2 592.683 5.748 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N\c3ccccc3F)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000102406123 554920847 /nfs/dbraw/zinc/92/08/47/554920847.db2.gz IMKDQQAICLVKAL-FZWCJVCJSA-N 0 2 537.613 5.055 40 30 KKEBLN COc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3F)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000102406123 554920849 /nfs/dbraw/zinc/92/08/49/554920849.db2.gz IMKDQQAICLVKAL-FZWCJVCJSA-N 0 2 537.613 5.055 40 30 KKEBLN CCOc1ccc(NC(=O)CC2S/C(=N\c3ccccc3F)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000102406682 554921166 /nfs/dbraw/zinc/92/11/66/554921166.db2.gz ZUOJRXKIRCEJJF-IABYKIDSSA-N 0 2 551.640 5.445 40 30 KKEBLN CCOc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3F)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000102406682 554921168 /nfs/dbraw/zinc/92/11/68/554921168.db2.gz ZUOJRXKIRCEJJF-IABYKIDSSA-N 0 2 551.640 5.445 40 30 KKEBLN CCOc1cccc(NC(=O)CC2S/C(=N\c3ccc(C(F)(F)F)cc3)N(Cc3ccccc3)C2=O)c1 ZINC000102406297 554921171 /nfs/dbraw/zinc/92/11/71/554921171.db2.gz VZPVOKGSOIKGEZ-HFBYFEGMSA-N 0 2 527.568 6.265 40 30 KKEBLN CCOc1cccc(NC(=O)C[C@@H]2S/C(=N\c3ccc(C(F)(F)F)cc3)N(Cc3ccccc3)C2=O)c1 ZINC000102406297 554921172 /nfs/dbraw/zinc/92/11/72/554921172.db2.gz VZPVOKGSOIKGEZ-HFBYFEGMSA-N 0 2 527.568 6.265 40 30 KKEBLN COC(=O)c1ccc(NC(=O)CC2S/C(=N\c3ccc(Cl)cc3)N(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000102408088 554922552 /nfs/dbraw/zinc/92/25/52/554922552.db2.gz BYGGGTYDWYRORS-JVEWKGNHSA-N 0 2 538.025 5.296 40 30 KKEBLN COC(=O)c1ccc(NC(=O)C[C@H]2S/C(=N\c3ccc(Cl)cc3)N(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000102408088 554922553 /nfs/dbraw/zinc/92/25/53/554922553.db2.gz BYGGGTYDWYRORS-JVEWKGNHSA-N 0 2 538.025 5.296 40 30 KKEBLN O=C(CC1S/C(=N\c2ccc(Cl)cc2)N(Cc2ccc(F)cc2)C1=O)Nc1ccc(Br)cc1 ZINC000102408020 554922560 /nfs/dbraw/zinc/92/25/60/554922560.db2.gz LLMQZGNDHJPOCN-DUKYEPHGSA-N 0 2 546.849 6.402 40 30 KKEBLN O=C(C[C@@H]1S/C(=N\c2ccc(Cl)cc2)N(Cc2ccc(F)cc2)C1=O)Nc1ccc(Br)cc1 ZINC000102408020 554922561 /nfs/dbraw/zinc/92/25/61/554922561.db2.gz LLMQZGNDHJPOCN-DUKYEPHGSA-N 0 2 546.849 6.402 40 30 KKEBLN CCCOc1ccc(NC(=O)CC2S/C(=N\c3ccc(Cl)cc3)N(CCNc3ccc([N+](=O)[O-])cn3)C2=O)cc1 ZINC000102408400 554922847 /nfs/dbraw/zinc/92/28/47/554922847.db2.gz LCYFLJFWDJOLAZ-OOXGOBSMSA-N 0 2 583.070 5.504 40 30 KKEBLN CCCOc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccc(Cl)cc3)N(CCNc3ccc([N+](=O)[O-])cn3)C2=O)cc1 ZINC000102408400 554922850 /nfs/dbraw/zinc/92/28/50/554922850.db2.gz LCYFLJFWDJOLAZ-OOXGOBSMSA-N 0 2 583.070 5.504 40 30 KKEBLN COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/N=C2\NC(=O)C(CC(=O)Nc3ccc(C)c(Cl)c3)S2)cc1 ZINC000102923776 555148210 /nfs/dbraw/zinc/14/82/10/555148210.db2.gz CLMRMPIJZYNJLL-DTWZTBRYSA-N 0 2 573.078 5.460 40 30 KKEBLN COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/N=C2\NC(=O)[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)S2)cc1 ZINC000102923776 555148214 /nfs/dbraw/zinc/14/82/14/555148214.db2.gz CLMRMPIJZYNJLL-DTWZTBRYSA-N 0 2 573.078 5.460 40 30 KKEBLN CCn1c2ccccc2c2cc(/N=C3/SC(CC(=O)Nc4ccccc4OC)C(=O)N3CCOC)ccc21 ZINC000102926949 555151446 /nfs/dbraw/zinc/15/14/46/555151446.db2.gz RIHRMIMDCUBCTG-BDHSRLDBSA-N 0 2 530.650 5.430 40 30 KKEBLN CCn1c2ccccc2c2cc(/N=C3/S[C@@H](CC(=O)Nc4ccccc4OC)C(=O)N3CCOC)ccc21 ZINC000102926949 555151450 /nfs/dbraw/zinc/15/14/50/555151450.db2.gz RIHRMIMDCUBCTG-BDHSRLDBSA-N 0 2 530.650 5.430 40 30 KKEBLN Cc1ccc(NC(=O)CC2S/C(=N/c3cc(C(F)(F)F)ccc3Cl)N(Cc3ccccn3)C2=O)cc1 ZINC000102926944 555151460 /nfs/dbraw/zinc/15/14/60/555151460.db2.gz FEEJNBNXMYWUCA-FZCXRPFOSA-N 0 2 532.975 6.223 40 30 KKEBLN Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3cc(C(F)(F)F)ccc3Cl)N(Cc3ccccn3)C2=O)cc1 ZINC000102926944 555151463 /nfs/dbraw/zinc/15/14/63/555151463.db2.gz FEEJNBNXMYWUCA-FZCXRPFOSA-N 0 2 532.975 6.223 40 30 KKEBLN Cc1ccc(/N=C2\SC(CC(=O)Nc3ccc(I)cc3)C(=O)N2C2CCCC2)cc1C ZINC000102961063 555176407 /nfs/dbraw/zinc/17/64/07/555176407.db2.gz GEKQJMOYQNJJRL-AQTDBHCXSA-N 0 2 547.462 5.811 40 30 KKEBLN Cc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(I)cc3)C(=O)N2C2CCCC2)cc1C ZINC000102961063 555176410 /nfs/dbraw/zinc/17/64/10/555176410.db2.gz GEKQJMOYQNJJRL-AQTDBHCXSA-N 0 2 547.462 5.811 40 30 KKEBLN Cc1c(Cl)cccc1NC(=O)CC1S/C(=N\c2cccc3ccccc32)N([C@@H](C)CCC(C)C)C1=O ZINC000102961330 555176803 /nfs/dbraw/zinc/17/68/03/555176803.db2.gz AWSAQSQQQUGZSK-WXDVTJGESA-N 0 2 522.114 7.587 40 30 KKEBLN Cc1c(Cl)cccc1NC(=O)C[C@H]1S/C(=N\c2cccc3ccccc32)N([C@@H](C)CCC(C)C)C1=O ZINC000102961330 555176807 /nfs/dbraw/zinc/17/68/07/555176807.db2.gz AWSAQSQQQUGZSK-WXDVTJGESA-N 0 2 522.114 7.587 40 30 KKEBLN O=C(CC1S/C(=N/c2cccc3ccccc32)N(Cc2ccccn2)C1=O)Nc1ccccc1Cl ZINC000102961306 555176809 /nfs/dbraw/zinc/17/68/09/555176809.db2.gz ULLDMASPPBEZTH-OKDWRDSESA-N 0 2 501.011 6.049 40 30 KKEBLN O=C(C[C@H]1S/C(=N/c2cccc3ccccc32)N(Cc2ccccn2)C1=O)Nc1ccccc1Cl ZINC000102961306 555176811 /nfs/dbraw/zinc/17/68/11/555176811.db2.gz ULLDMASPPBEZTH-OKDWRDSESA-N 0 2 501.011 6.049 40 30 KKEBLN CCOc1ccc(/N=C2\SC(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)C(=O)N2C2CCCC2)cc1 ZINC000102961552 555177266 /nfs/dbraw/zinc/17/72/66/555177266.db2.gz YABGLTJIYPHOKO-MSSAIVSKSA-N 0 2 540.007 6.660 40 30 KKEBLN CCOc1ccc(/N=C2\S[C@@H](CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)C(=O)N2C2CCCC2)cc1 ZINC000102961552 555177269 /nfs/dbraw/zinc/17/72/69/555177269.db2.gz YABGLTJIYPHOKO-MSSAIVSKSA-N 0 2 540.007 6.660 40 30 KKEBLN Cc1cc(C)cc(/N=C2\SC(CC(=O)Nc3ccc(I)cc3)C(=O)N2C2CCCC2)c1 ZINC000102962000 555178042 /nfs/dbraw/zinc/17/80/42/555178042.db2.gz PUONHWYGYMEQJM-LQUAGZSJSA-N 0 2 547.462 5.811 40 30 KKEBLN Cc1cc(C)cc(/N=C2\S[C@H](CC(=O)Nc3ccc(I)cc3)C(=O)N2C2CCCC2)c1 ZINC000102962000 555178043 /nfs/dbraw/zinc/17/80/43/555178043.db2.gz PUONHWYGYMEQJM-LQUAGZSJSA-N 0 2 547.462 5.811 40 30 KKEBLN Cc1ccc(/N=C2\SC(CC(=O)Nc3cccc4ccccc43)C(=O)N2Cc2ccc3c(c2)OCO3)c(C)c1 ZINC000102962382 555178668 /nfs/dbraw/zinc/17/86/68/555178668.db2.gz SMVGXXHBNGQGDX-QRFYQGEOSA-N 0 2 537.641 6.346 40 30 KKEBLN Cc1ccc(/N=C2\S[C@H](CC(=O)Nc3cccc4ccccc43)C(=O)N2Cc2ccc3c(c2)OCO3)c(C)c1 ZINC000102962382 555178670 /nfs/dbraw/zinc/17/86/70/555178670.db2.gz SMVGXXHBNGQGDX-QRFYQGEOSA-N 0 2 537.641 6.346 40 30 KKEBLN COc1cc([N+](=O)[O-])ccc1NC(=O)CC1S/C(=N\c2ccc(C)cc2C)N(CCC2=CCCCC2)C1=O ZINC000102962377 555178724 /nfs/dbraw/zinc/17/87/24/555178724.db2.gz GGBZVIYLJCNBIK-DXWCKFLSSA-N 0 2 536.654 6.071 40 30 KKEBLN CCCOc1ccc(CN=Nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[N+](=O)[O-])c(OCCC)c1 ZINC000102971086 555181699 /nfs/dbraw/zinc/18/16/99/555181699.db2.gz MRWMDIFIAVBZGA-OVVQPSECSA-N 0 2 542.614 5.428 40 30 KKEBLN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2ccc(-c3ccccc3Cl)o2)c(C)c1 ZINC000102980331 555187327 /nfs/dbraw/zinc/18/73/27/555187327.db2.gz PAQPKKOUJLJZGS-JFLMPSFJSA-N 0 2 524.986 6.372 40 30 KKEBLN Cc1nn(-c2ccc(F)cc2)c(Cl)c1CN=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cc1C ZINC000102980378 555187411 /nfs/dbraw/zinc/18/74/11/555187411.db2.gz ZFPMFMBNJBYUSF-CCVNUDIWSA-N 0 2 557.007 5.745 40 30 KKEBLN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cc1C ZINC000102980378 555187415 /nfs/dbraw/zinc/18/74/15/555187415.db2.gz ZFPMFMBNJBYUSF-CCVNUDIWSA-N 0 2 557.007 5.745 40 30 KKEBLN COc1ccccc1NS(=O)(=O)c1ccc(N=NCc2cccc(OCc3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000102983901 555189660 /nfs/dbraw/zinc/18/96/60/555189660.db2.gz NJULEYJYDJFSHD-MTDXEUNCSA-N 0 2 532.578 5.429 40 30 KKEBLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC(C)c1ccccc1Br ZINC000102984126 555189841 /nfs/dbraw/zinc/18/98/41/555189841.db2.gz BQVCNQHJPNBRTN-OEAKJJBVSA-N 0 2 519.377 5.003 40 30 KKEBLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000102984143 555190021 /nfs/dbraw/zinc/19/00/21/555190021.db2.gz HWEGVEGOGXBIKW-RDRPBHBLSA-N 0 2 562.604 5.438 40 30 KKEBLN Oc1c(Br)cc(/C=N/c2ccc3nc(SCc4c(Cl)cccc4Cl)sc3c2)cc1Br ZINC000103746570 555466746 /nfs/dbraw/zinc/46/67/46/555466746.db2.gz YVWJYAIWWCPOCZ-JQAMDZJQSA-N 0 2 603.188 8.877 40 30 KKEBLN CC1(C)CC[C@]2(C(=O)N3CCOCC3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=NOC(=O)C[C@@H]6SC(=O)NC6=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000150587075 562845918 /nfs/dbraw/zinc/84/59/18/562845918.db2.gz WJRJONZDINDKQJ-VODGBSGLSA-N 0 2 695.967 7.288 40 30 KKEBLN CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(OC)c(OCc4ccccc4C#N)cc3Br)C2=O)c1 ZINC000103841736 571362429 /nfs/dbraw/zinc/36/24/29/571362429.db2.gz JWBBYJGGDBIRLI-WSDLNYQXSA-N 0 2 620.456 5.372 40 30 KKEBLN C#CCOc1c(CC=C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OC ZINC000103842644 571362508 /nfs/dbraw/zinc/36/25/08/571362508.db2.gz CVQPJPGDTBRTLR-LQKURTRISA-N 0 2 550.655 5.570 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000103850614 571364597 /nfs/dbraw/zinc/36/45/97/571364597.db2.gz GJTXGDVKHZMDHS-FYJGNVAPSA-N 0 2 569.814 6.216 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000103850624 571364634 /nfs/dbraw/zinc/36/46/34/571364634.db2.gz NNRNCOZVDAXARL-RGVLZGJSSA-N 0 2 604.259 6.869 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000103858239 571366602 /nfs/dbraw/zinc/36/66/02/571366602.db2.gz WRXYHKJSLYCTPC-LFVJCYFKSA-N 0 2 561.432 5.822 40 30 KKEBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1sc(C)c(C)c1C#N ZINC000103858976 571366942 /nfs/dbraw/zinc/36/69/42/571366942.db2.gz DAKFTXPIWKFTOM-VXLYETTFSA-N 0 2 523.412 5.073 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000103859499 571367144 /nfs/dbraw/zinc/36/71/44/571367144.db2.gz ZKBGIPKZONOZHG-WPWMEQJKSA-N 0 2 597.465 6.585 40 30 KKEBLN CO[C@H](C(=O)C1=C2Oc3c4c(cc(O)c3C(=O)[C@@H]2C2=C(CCCC2)C1=O)OC(C)(C)C=C4)[C@@H](C)CCC=C(C)C ZINC000104194994 571376599 /nfs/dbraw/zinc/37/65/99/571376599.db2.gz MMYDZXDNKCPDCM-KOJRWILQSA-N 0 2 546.660 6.442 40 30 KKEBLN CO[C@H](C(=O)c1c(=O)c2c(c3c(O)c4c(O)cc5c(c4oc1-3)C=CC(C)(C)O5)CCCC2)[C@@H](C)CCC=C(C)C ZINC000104194994 571376601 /nfs/dbraw/zinc/37/66/01/571376601.db2.gz MMYDZXDNKCPDCM-KOJRWILQSA-N 0 2 546.660 6.442 40 30 KKEBLN O/N=C(/Cc1nc2cc(Cl)c(Cl)cc2nc1C/C(=N/O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000104241395 571377713 /nfs/dbraw/zinc/37/77/13/571377713.db2.gz XVSAUVSDAKPRKW-CDSIFPFTSA-N 0 2 534.230 7.085 40 30 KKEBLN O=S(=O)(Nc1ccnn1-c1ccccc1)c1ccc(/N=C\c2c3ccccc3nc3cc(Cl)ccc23)cc1 ZINC000104268881 571378124 /nfs/dbraw/zinc/37/81/24/571378124.db2.gz KCDUVDIRETUGLR-DXJNIWACSA-N 0 2 538.032 6.779 40 30 KKEBLN CCCSc1nc2ccc(NC(=O)CSc3nnc(N[NH+]=C(C)c4ccc5ccccc5c4)[n-]3)cc2s1 ZINC000104790835 571386223 /nfs/dbraw/zinc/38/62/23/571386223.db2.gz CXOMQNGPXWLQKZ-OKCVXOCRSA-N 0 2 547.735 6.637 40 30 KKEBLN O=C([O-])c1ccc(/[NH+]=C2/C=CC3=N[C@@]45CCCC[C@H]4[C@H](c4ccccc4)C=C(c4ccccc4)N5C3=C2)cc1 ZINC000105295365 571392494 /nfs/dbraw/zinc/39/24/94/571392494.db2.gz JWJQKUXXLPEPJD-FJPBYOTFSA-N 0 2 511.625 7.393 40 30 KKEBLN O=C([O-])c1ccc(/[NH+]=C2/C=CC3=N[C@@]45CCCC[C@H]4[C@@H](c4ccccc4)C=C(c4ccccc4)N5C3=C2)cc1 ZINC000105295358 571392591 /nfs/dbraw/zinc/39/25/91/571392591.db2.gz JWJQKUXXLPEPJD-XAWMYNHPSA-N 0 2 511.625 7.393 40 30 KKEBLN O=[N+]([O-])c1cc(Cc2ccccc2Cl)cc(/C=N/c2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)c1O ZINC000109503621 571429274 /nfs/dbraw/zinc/42/92/74/571429274.db2.gz JDFCJWTWGRIGDC-AMVVHIIESA-N 0 2 578.806 7.572 40 30 KKEBLN CC(=O)c1ccc(N=C2SC(CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2[C@H]2CCCc3ccccc32)cc1 ZINC000111672050 571433504 /nfs/dbraw/zinc/43/35/04/571433504.db2.gz PMYHKEOYDQNLDS-SCCNSPDMSA-N 0 2 539.657 6.130 40 30 KKEBLN CC(=O)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2[C@H]2CCCc3ccccc32)cc1 ZINC000111672050 571433505 /nfs/dbraw/zinc/43/35/05/571433505.db2.gz PMYHKEOYDQNLDS-SCCNSPDMSA-N 0 2 539.657 6.130 40 30 KKEBLN COC(=O)[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)CO/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000118918270 571444581 /nfs/dbraw/zinc/44/45/81/571444581.db2.gz QEJFEIOBCOMMKR-RVPCQVCMSA-N 0 2 609.720 5.041 40 30 KKEBLN Cc1cc(-c2ccc(/N=C/c3cc(Br)cc(Br)c3O)c(C)c2)ccc1/N=C/c1cc(Br)cc(Br)c1O ZINC000150349564 571461521 /nfs/dbraw/zinc/46/15/21/571461521.db2.gz UIQGHMLZYREZTO-AWNSZPOUSA-N 0 2 736.096 9.933 40 30 KKEBLN Oc1c(Br)cc(Br)cc1/C=N/N1CCN(/N=C/c2cc(Br)cc(Br)c2O)CC1 ZINC000150376453 571466517 /nfs/dbraw/zinc/46/65/17/571466517.db2.gz WUUBJNQPQURCMI-WDBPGAOMSA-N 0 2 639.968 5.133 40 30 KKEBLN Oc1c(Br)cc(Br)cc1/C=N\N1CCN(/N=C\c2cc(Br)cc(Br)c2O)CC1 ZINC000150376448 571466521 /nfs/dbraw/zinc/46/65/21/571466521.db2.gz WUUBJNQPQURCMI-RJVPWCEXSA-N 0 2 639.968 5.133 40 30 KKEBLN O=C(CSc1nc2ccc(/N=C/c3cc(Br)c(O)c(Br)c3)cc2s1)Nc1cccc(C(F)(F)F)c1 ZINC000150383257 571467711 /nfs/dbraw/zinc/46/77/11/571467711.db2.gz CCSBOIHQJPIMKW-VYVUJPJFSA-N 0 2 645.320 8.027 40 30 KKEBLN Oc1c(I)cc(/C=N/c2ccc3nc(SC(c4ccccc4)c4ccccc4)sc3c2)cc1I ZINC000150383833 571468064 /nfs/dbraw/zinc/46/80/64/571468064.db2.gz ZWHSMQXKZZPNTK-OKCVXOCRSA-N 0 2 704.396 8.843 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N\c3ccccc3)N(CCNc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)C2=O)cc1 ZINC000150413991 571484883 /nfs/dbraw/zinc/48/48/83/571484883.db2.gz GXZPMVPWZKXKNW-FSYZUEHXSA-N 0 2 646.811 8.035 40 30 KKEBLN COc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3)N(CCNc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)C2=O)cc1 ZINC000150413991 571484889 /nfs/dbraw/zinc/48/48/89/571484889.db2.gz GXZPMVPWZKXKNW-FSYZUEHXSA-N 0 2 646.811 8.035 40 30 KKEBLN CCCCCCCC1=NN2C(=NC(=O)/C(=C/c3cc(I)c(OCCOc4ccc(C)c(C)c4)c(OC)c3)C2=N)S1 ZINC000150441075 571498181 /nfs/dbraw/zinc/49/81/81/571498181.db2.gz GOWFKDJJGMMFMI-HLHBIVSNSA-N 0 2 674.605 7.354 40 30 KKEBLN Cc1ccc(NC(=O)[C@@H](CCCNC(=NC(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)cc1C ZINC000150456796 571504835 /nfs/dbraw/zinc/50/48/35/571504835.db2.gz VGFWJXGFOBSZKY-MGBGTMOVSA-N 0 2 679.774 6.526 40 30 KKEBLN C=CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I ZINC000164452073 571547925 /nfs/dbraw/zinc/54/79/25/571547925.db2.gz IQLHHKMWGGHMAC-RIYZIHGNSA-N 0 2 632.046 5.047 40 30 KKEBLN Cc1cc(C)c(NC(=O)CSc2nc3ccc(/N=C/c4cc(I)c(O)c(I)c4)cc3s2)c(C)c1 ZINC000164522265 571549286 /nfs/dbraw/zinc/54/92/86/571549286.db2.gz AFYROOGDZJDQRX-IPBVOBEMSA-N 0 2 713.404 7.618 40 30 KKEBLN O=C(CSc1nc2ccc(/N=C/c3cc(I)c(O)c(I)c3)cc2s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000164706394 571550811 /nfs/dbraw/zinc/55/08/11/571550811.db2.gz BFBAMXGVHJMMFA-KIBLKLHPSA-N 0 2 716.320 6.601 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Cl ZINC000408536867 572192778 /nfs/dbraw/zinc/19/27/78/572192778.db2.gz BNUBXCZBDOGZEC-XDHOZWIPSA-N 0 2 537.871 7.361 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br ZINC000408537608 572195130 /nfs/dbraw/zinc/19/51/30/572195130.db2.gz GGAARFTULMBUCV-UYRXBGFRSA-N 0 2 612.746 7.271 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OCC ZINC000408538102 572196980 /nfs/dbraw/zinc/19/69/80/572196980.db2.gz JBTQSYKPEWEOJR-QNGOZBTKSA-N 0 2 559.457 5.959 40 30 KKEBLN CCCCCCCCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000408538358 572198238 /nfs/dbraw/zinc/19/82/38/572198238.db2.gz LNHCOFSTQOJURZ-QJOMJCCJSA-N 0 2 527.459 6.472 40 30 KKEBLN CCCCCCCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O ZINC000408538489 572198497 /nfs/dbraw/zinc/19/84/97/572198497.db2.gz NTUXOFFGLOSKSU-OQKWZONESA-N 0 2 529.431 5.863 40 30 KKEBLN CCCCCCCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OCC ZINC000408538681 572199234 /nfs/dbraw/zinc/19/92/34/572199234.db2.gz PALLIFPETLLRAK-CJLVFECKSA-N 0 2 513.034 6.453 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OCC ZINC000408538728 572199568 /nfs/dbraw/zinc/19/95/68/572199568.db2.gz PUJJSCOPJSEOOG-KGENOOAVSA-N 0 2 591.930 7.215 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1Br ZINC000408539143 572201001 /nfs/dbraw/zinc/20/10/01/572201001.db2.gz UEGPXNVRCXKOMQ-RCCKNPSSSA-N 0 2 622.354 7.016 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000408539367 572201964 /nfs/dbraw/zinc/20/19/64/572201964.db2.gz WATACOZOLMAFQL-UNOMPAQXSA-N 0 2 534.396 6.307 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OCC ZINC000408539809 572203409 /nfs/dbraw/zinc/20/34/09/572203409.db2.gz ZBMGJEAUCUWGDD-KQWNVCNZSA-N 0 2 527.061 6.761 40 30 KKEBLN CCCCCCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OCC ZINC000408539865 572203662 /nfs/dbraw/zinc/20/36/62/572203662.db2.gz ZPYWLFCBFYYCJX-JWGURIENSA-N 0 2 509.559 5.399 40 30 KKEBLN CCCCCCCCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cc(Cl)ccc2C)C1=O ZINC000408540198 572205127 /nfs/dbraw/zinc/20/51/27/572205127.db2.gz ONMOOYVAOGBWAF-RCCKNPSSSA-N 0 2 503.426 6.708 40 30 KKEBLN CCCCCCCCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O ZINC000408540574 572206135 /nfs/dbraw/zinc/20/61/35/572206135.db2.gz UCSUUCGWFWWRQN-SILNSSARSA-N 0 2 547.877 6.817 40 30 KKEBLN O=C(C1=C(O)C(=Cc2cc(I)c(O)c(I)c2)CCCC1)C(F)(F)F ZINC000408563571 572249551 /nfs/dbraw/zinc/24/95/51/572249551.db2.gz OHGZTEOVMHDPHI-LFKWHJGZSA-N 0 2 564.079 5.502 40 30 KKEBLN N#Cc1ccccc1COc1c(Cl)cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc1Cl ZINC000408565226 572252059 /nfs/dbraw/zinc/25/20/59/572252059.db2.gz IZEPNUGVZFYYME-PAXQOXJBSA-N 0 2 549.414 5.499 40 30 KKEBLN C=CCOC(=O)c1cc(-c2ccc(C(c3c(C)[nH]n(-c4ccccc4)c3=O)c3c(C)[nH]n(-c4ccccc4)c3=O)o2)ccc1Cl ZINC000108423096 1069717780 /nfs/dbraw/zinc/71/77/80/1069717780.db2.gz RZKOPJNHBWPHLT-UHFFFAOYSA-N 0 2 621.093 7.522 40 30 KKEBLN C=CCOc1ccc(Cl)cc1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000108423212 1069719593 /nfs/dbraw/zinc/71/95/93/1069719593.db2.gz AJPBRLVXXADVTJ-UHFFFAOYSA-N 0 2 527.024 6.484 40 30 KKEBLN N#Cc1ccccc1COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408951147 1069762850 /nfs/dbraw/zinc/76/28/50/1069762850.db2.gz LUOFKQBHXGJFSP-OKCVXOCRSA-N 0 2 557.650 6.271 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000408779570 1069900758 /nfs/dbraw/zinc/90/07/58/1069900758.db2.gz YQANMYKDXAQPRS-RDRPBHBLSA-N 0 2 546.623 6.439 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OCc1cccc(C)c1 ZINC000408785922 1069915446 /nfs/dbraw/zinc/91/54/46/1069915446.db2.gz JVORGLSJHBXULN-WGOQTCKBSA-N 0 2 510.590 5.594 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000408789132 1069917671 /nfs/dbraw/zinc/91/76/71/1069917671.db2.gz JNTZWDZRMJWKOA-HYARGMPZSA-N 0 2 537.399 5.976 40 30 KKEBLN C=CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccc(Br)cc3)cc2)C1=O ZINC000408823063 1069985738 /nfs/dbraw/zinc/98/57/38/1069985738.db2.gz CGSRIBQLCYJTPR-BUVRLJJBSA-N 0 2 563.404 5.268 40 30 KKEBLN C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1OC ZINC000408820944 1069995184 /nfs/dbraw/zinc/99/51/84/1069995184.db2.gz ASRWJPYSWYUZCI-SRZZPIQSSA-N 0 2 585.827 5.913 40 30 KKEBLN C#CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O ZINC000408821349 1069996913 /nfs/dbraw/zinc/99/69/13/1069996913.db2.gz GNHXRWDYAVYCRV-OVVQPSECSA-N 0 2 536.971 5.751 40 30 KKEBLN C=CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1OCC ZINC000408827337 1070006105 /nfs/dbraw/zinc/00/61/05/1070006105.db2.gz CRVOHOJDPCDRDZ-HYARGMPZSA-N 0 2 611.876 6.311 40 30 KKEBLN C=CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc1OCC ZINC000408824460 1070009878 /nfs/dbraw/zinc/00/98/78/1070009878.db2.gz HSJBCJUHNIXOPV-JNLVJSROSA-N 0 2 718.648 7.957 40 30 KKEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1Cl ZINC000408830424 1070018004 /nfs/dbraw/zinc/01/80/04/1070018004.db2.gz YJFINWXONOHWTQ-HYARGMPZSA-N 0 2 521.356 5.251 40 30 KKEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1Br ZINC000408836895 1070028986 /nfs/dbraw/zinc/02/89/86/1070028986.db2.gz WTRBCHDEMXXONO-CIAFOILYSA-N 0 2 600.252 6.013 40 30 KKEBLN C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)cc1OC ZINC000408833523 1070030805 /nfs/dbraw/zinc/03/08/05/1070030805.db2.gz TVPRRBGCPNRZSA-VSXUNDGWSA-N 0 2 658.154 6.905 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408985459 1070346338 /nfs/dbraw/zinc/34/63/38/1070346338.db2.gz WXDGMOXDPQALNJ-HAHDFKILSA-N 0 2 579.878 6.639 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408992839 1070355416 /nfs/dbraw/zinc/35/54/16/1070355416.db2.gz URHBODFKZIOSGN-UUYOSTAYSA-N 0 2 610.848 6.293 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1ccc(I)cc1 ZINC000408992845 1070356020 /nfs/dbraw/zinc/35/60/20/1070356020.db2.gz URWYLNBZRXANSZ-ONUIUJJFSA-N 0 2 636.486 6.226 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1cccc(C)c1 ZINC000408994356 1070370645 /nfs/dbraw/zinc/37/06/45/1070370645.db2.gz YVXDAXQEZNDIGE-ONUIUJJFSA-N 0 2 510.590 5.540 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409066719 1070483285 /nfs/dbraw/zinc/48/32/85/1070483285.db2.gz CHVBERPAYSEIKQ-YDZHTSKRSA-N 0 2 547.951 5.231 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000409076373 1070490905 /nfs/dbraw/zinc/49/09/05/1070490905.db2.gz BALHIGIKUCTSTD-HZHRSRAPSA-N 0 2 561.978 5.621 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000409071670 1070497786 /nfs/dbraw/zinc/49/77/86/1070497786.db2.gz KWZVJSNVQNUMHG-OVVQPSECSA-N 0 2 518.569 5.822 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000409072925 1070499180 /nfs/dbraw/zinc/49/91/80/1070499180.db2.gz NZWUOZAKGOHRME-VUTHCHCSSA-N 0 2 609.078 6.902 40 30 KKEBLN CCCN1C(=O)/C(=C\c2cc(Br)c(O)c(Br)c2)S/C1=N\c1ccc(C)cc1 ZINC000408915733 1071006158 /nfs/dbraw/zinc/00/61/58/1071006158.db2.gz ZRNLLTKZBUAFON-BPRJVQAXSA-N 0 2 510.251 6.240 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408950387 1071356848 /nfs/dbraw/zinc/35/68/48/1071356848.db2.gz JPBKBRNDGSVJDD-VTNSRFBWSA-N 0 2 647.728 7.045 40 30 KKEBLN C=CCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OCC ZINC000408948804 1071364250 /nfs/dbraw/zinc/36/42/50/1071364250.db2.gz GYHQDQPRAGAGKX-DHRITJCHSA-N 0 2 605.529 6.547 40 30 KKEBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000408956716 1071375411 /nfs/dbraw/zinc/37/54/11/1071375411.db2.gz YBMZNZHZJCRSGY-SAEPALGJSA-N 0 2 650.779 7.679 40 30 KKEBLN C=CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1Br ZINC000408986474 1071490777 /nfs/dbraw/zinc/49/07/77/1071490777.db2.gz MEPYCLXIDDQEHU-MHWRWJLKSA-N 0 2 534.204 5.005 40 30 KKEBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCc4ccccc4C#N)c(Cl)c3)C2=O)cc1Cl ZINC000408986025 1071496151 /nfs/dbraw/zinc/49/61/51/1071496151.db2.gz ZDGCVHCPRWYVCX-UWVJOHFNSA-N 0 2 540.790 6.072 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408985701 1071498460 /nfs/dbraw/zinc/49/84/60/1071498460.db2.gz XUTIPDOAPFYMKU-UCQKPKSFSA-N 0 2 531.952 5.531 40 30 KKEBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)[C@@H]1C=CC=C(OS(=O)(=O)c2ccccc2)C1 ZINC000408736869 1071553773 /nfs/dbraw/zinc/55/37/73/1071553773.db2.gz AGBUWCACRFGXGU-XMMPIXPASA-N 0 2 594.693 6.083 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408990851 1071587315 /nfs/dbraw/zinc/58/73/15/1071587315.db2.gz ONSHUDXHLDMTNG-OYKKKHCWSA-N 0 2 576.005 5.929 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408989506 1071597018 /nfs/dbraw/zinc/59/70/18/1071597018.db2.gz KXEKFMPCMCRSOQ-XYGWBWBKSA-N 0 2 559.460 6.294 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000408988743 1071602626 /nfs/dbraw/zinc/60/26/26/1071602626.db2.gz RJCIQUSLHBFKEG-ONUIUJJFSA-N 0 2 545.035 6.275 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408988661 1071604317 /nfs/dbraw/zinc/60/43/17/1071604317.db2.gz ITNMLOVFEJZCDV-VEILYXNESA-N 0 2 595.493 7.139 40 30 KKEBLN CCCCCCCO[C@@H]1C=CC=C[C@H]1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000408737461 1071614244 /nfs/dbraw/zinc/61/42/44/1071614244.db2.gz RDQGWXOUAKIKMK-FQLXRVMXSA-N 0 2 552.719 7.316 40 30 KKEBLN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(I)c(O)c(I)c2)C1=O ZINC000409005106 1071631088 /nfs/dbraw/zinc/63/10/88/1071631088.db2.gz ZFAUBBTYICBSSO-GDNBJRDFSA-N 0 2 619.218 5.145 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408755855 1071641399 /nfs/dbraw/zinc/64/13/99/1071641399.db2.gz PPTGYDBLFIOVIQ-LFVJCYFKSA-N 0 2 545.433 6.040 40 30 KKEBLN Cc1cc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCc4ccccc4C#N)c(I)c3)C2=O)ccc1Br ZINC000408752973 1071661517 /nfs/dbraw/zinc/66/15/17/1071661517.db2.gz DSATVJSYROLILB-DJKKODMXSA-N 0 2 768.143 6.084 40 30 KKEBLN Cc1cc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCc4ccccc4C#N)c(Cl)c3)C2=O)ccc1Br ZINC000408751776 1071669049 /nfs/dbraw/zinc/66/90/49/1071669049.db2.gz CEYRFRXYEDBPJJ-DJKKODMXSA-N 0 2 585.241 6.181 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408760507 1071696346 /nfs/dbraw/zinc/69/63/46/1071696346.db2.gz ZTRZNIMIBZANMY-HZHRSRAPSA-N 0 2 610.302 6.494 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408759075 1071702494 /nfs/dbraw/zinc/70/24/94/1071702494.db2.gz XKJSKHHYAUWFLK-LPYMAVHISA-N 0 2 689.198 7.256 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408757774 1071710279 /nfs/dbraw/zinc/71/02/79/1071710279.db2.gz BWIPXSXFTBXYIY-HZHRSRAPSA-N 0 2 565.851 6.385 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OCC)c1OCc1ccc(I)cc1 ZINC000408762216 1071737166 /nfs/dbraw/zinc/73/71/66/1071737166.db2.gz NQNFBZNNTKDPPL-BUVRLJJBSA-N 0 2 701.355 6.735 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408762846 1071734251 /nfs/dbraw/zinc/73/42/51/1071734251.db2.gz CDVFATWYVWMQSJ-HYARGMPZSA-N 0 2 610.302 6.494 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408776886 1071747044 /nfs/dbraw/zinc/74/70/44/1071747044.db2.gz RQXOHTRUSSHAMO-ZVHZXABRSA-N 0 2 590.430 5.948 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000408776292 1071750407 /nfs/dbraw/zinc/75/04/07/1071750407.db2.gz YIMZUAHBISTMCK-BUVRLJJBSA-N 0 2 534.971 5.852 40 30 KKEBLN N#Cc1ccccc1COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000408774674 1071758995 /nfs/dbraw/zinc/75/89/95/1071758995.db2.gz QCOUUCPDBMKMKP-DJKKODMXSA-N 0 2 526.763 5.764 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000408771663 1071779515 /nfs/dbraw/zinc/77/95/15/1071779515.db2.gz JZRCFVHUZMAFKF-LPYMAVHISA-N 0 2 677.720 6.681 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408767776 1071805323 /nfs/dbraw/zinc/80/53/23/1071805323.db2.gz NYIRQZLHVOCJQJ-OGLMXYFKSA-N 0 2 595.493 7.193 40 30 KKEBLN N#Cc1ccccc1COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br ZINC000408782914 1071874957 /nfs/dbraw/zinc/87/49/57/1071874957.db2.gz LDHHEXWTKDMPTA-DJKKODMXSA-N 0 2 615.665 5.982 40 30 KKEBLN CC1(C)CC(=O)C2=C(C1)N(CCc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c(O)c(Br)c1 ZINC000409038385 1071909005 /nfs/dbraw/zinc/90/90/05/1071909005.db2.gz VEJLIWUROGCRBI-UHFFFAOYSA-N 0 2 627.417 7.846 40 30 KKEBLN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3cc(Br)cc(I)c3O)sc2C1 ZINC000409056219 1071923132 /nfs/dbraw/zinc/92/31/32/1071923132.db2.gz FTCAMMVVPLDJGD-LYORIEDSSA-N 0 2 543.268 6.594 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000409067266 1071997531 /nfs/dbraw/zinc/99/75/31/1071997531.db2.gz CETNWRWVYFUWNT-PCLIKHOPSA-N 0 2 619.468 5.608 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000409066633 1072003162 /nfs/dbraw/zinc/00/31/62/1072003162.db2.gz NQGWRXKEMXTOKJ-FYJGNVAPSA-N 0 2 569.416 6.505 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409067097 1071997674 /nfs/dbraw/zinc/99/76/74/1071997674.db2.gz NSWOPVWVPJFPIP-PXLXIMEGSA-N 0 2 581.046 5.128 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000409066281 1072003558 /nfs/dbraw/zinc/00/35/58/1072003558.db2.gz KUXIICJVJRWKCA-HYARGMPZSA-N 0 2 547.951 5.231 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409064721 1072014202 /nfs/dbraw/zinc/01/42/02/1072014202.db2.gz FMZNOABKYPMYMP-OEAKJJBVSA-N 0 2 615.491 5.863 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409063192 1072022195 /nfs/dbraw/zinc/02/21/95/1072022195.db2.gz IJBPPOOPKCZINU-YDZHTSKRSA-N 0 2 595.435 5.763 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409075763 1072057310 /nfs/dbraw/zinc/05/73/10/1072057310.db2.gz XTWITIDKSZVPHC-YDZHTSKRSA-N 0 2 567.425 5.985 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000409075554 1072058650 /nfs/dbraw/zinc/05/86/50/1072058650.db2.gz WWXJTIIRJSBFCE-KOEQRZSOSA-N 0 2 561.034 6.111 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409075383 1072061902 /nfs/dbraw/zinc/06/19/02/1072061902.db2.gz XXJWSOJWCIGZSS-YZSQISJMSA-N 0 2 554.599 5.154 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000409073329 1072077065 /nfs/dbraw/zinc/07/70/65/1072077065.db2.gz GYUORLUDKJGNAN-SRZZPIQSSA-N 0 2 620.316 7.673 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000409070346 1072095732 /nfs/dbraw/zinc/09/57/32/1072095732.db2.gz OCJPSOMSOMRAHO-RCCKNPSSSA-N 0 2 551.426 6.366 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409070047 1072098067 /nfs/dbraw/zinc/09/80/67/1072098067.db2.gz MSLSECZYXQIHPW-ZVHZXABRSA-N 0 2 551.426 6.366 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409069743 1072100010 /nfs/dbraw/zinc/10/00/10/1072100010.db2.gz WCDHNZRAOVUUJW-KOEQRZSOSA-N 0 2 611.072 5.300 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000409069406 1072104942 /nfs/dbraw/zinc/10/49/42/1072104942.db2.gz IVFXLQFNFUYGBF-AJBULDERSA-N 0 2 606.650 6.777 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409068373 1072113151 /nfs/dbraw/zinc/11/31/51/1072113151.db2.gz GAWDPYBMQZKHTQ-LFVJCYFKSA-N 0 2 625.497 5.319 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409079238 1072136411 /nfs/dbraw/zinc/13/64/11/1072136411.db2.gz KQQLULZKRISPMO-YBFXNURJSA-N 0 2 650.393 7.506 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409087225 1072157211 /nfs/dbraw/zinc/15/72/11/1072157211.db2.gz HFVJOFPXQOBPCD-HYARGMPZSA-N 0 2 639.539 5.986 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409085244 1072180505 /nfs/dbraw/zinc/18/05/05/1072180505.db2.gz WVTFPINIJVMDBW-DEDYPNTBSA-N 0 2 567.476 5.809 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409082880 1072205812 /nfs/dbraw/zinc/20/58/12/1072205812.db2.gz RFEZMQKPSZWPSX-HZHRSRAPSA-N 0 2 625.556 6.598 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409081227 1072226796 /nfs/dbraw/zinc/22/67/96/1072226796.db2.gz NEBGSTWWWCXFGU-CIAFOILYSA-N 0 2 629.975 7.161 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409080990 1072227268 /nfs/dbraw/zinc/22/72/68/1072227268.db2.gz OUXQMHSLGZCJLD-RGVLZGJSSA-N 0 2 615.948 6.771 40 30 KKEBLN N#Cc1ccccc1Cn1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21 ZINC000409096169 1072234845 /nfs/dbraw/zinc/23/48/45/1072234845.db2.gz JAYQQISEPDITJX-UDWIEESQSA-N 0 2 515.356 5.534 40 30 KKEBLN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O)c(Br)c1 ZINC000409322010 1072286244 /nfs/dbraw/zinc/28/62/44/1072286244.db2.gz IHOTVAQCQFWHAG-UHFFFAOYSA-N 0 2 558.068 5.614 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409088908 1072294628 /nfs/dbraw/zinc/29/46/28/1072294628.db2.gz HOCZDAVHEAIDML-HYARGMPZSA-N 0 2 588.529 5.098 40 30 KKEBLN C=CCOc1c(Br)cc(C=C2SC(=N)C(c3nccs3)=C2O)cc1Br ZINC000409336524 1072330793 /nfs/dbraw/zinc/33/07/93/1072330793.db2.gz OSXHWGLMQACILC-HMWDARKLSA-N 0 2 500.237 5.651 40 30 KKEBLN CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)ccc1OCc1ccc2c(c1)OCO2 ZINC000409336951 1072405793 /nfs/dbraw/zinc/40/57/93/1072405793.db2.gz RJFBTULSQDDMTP-PAWBPZTRSA-N 0 2 509.609 5.225 40 30 KKEBLN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O)c(Br)c1 ZINC001531269670 1073032581 /nfs/dbraw/zinc/03/25/81/1073032581.db2.gz BOPRZGHLCDMXBI-SRIQITJBSA-N 0 2 558.068 5.785 40 30 KKEBLN N#CC1(c2ccccc2)C(c2ccccc2)=CC(=C2C(=O)NC(=O)N(c3ccccc3)C2=O)C=C1c1ccccc1 ZINC000001591145 551685442 /nfs/dbraw/zinc/68/54/42/551685442.db2.gz VNGDVIJHQBJNBG-UHFFFAOYSA-N 0 2 533.587 6.208 40 30 KKEBLN O=C(Oc1ccc(/C=N/c2ccc(O)c(-c3nc4ccccc4o3)c2)cc1)c1ccc(Cl)cc1Cl ZINC000003146091 552297118 /nfs/dbraw/zinc/29/71/18/552297118.db2.gz DVHNMDRYMLDIQO-FJEPWZHXSA-N 0 2 503.341 7.477 40 30 KKEBLN O=C(CC1S/C(=N/c2cccc3ccccc32)N(Cc2ccc3c(c2)OCO3)C1=O)Nc1ccc(Cl)cc1 ZINC000003350521 552367153 /nfs/dbraw/zinc/36/71/53/552367153.db2.gz LDFSNODJILTRPM-VTRQEKABSA-N 0 2 544.032 6.382 40 30 KKEBLN O=C(C[C@H]1S/C(=N/c2cccc3ccccc32)N(Cc2ccc3c(c2)OCO3)C1=O)Nc1ccc(Cl)cc1 ZINC000003350521 552367155 /nfs/dbraw/zinc/36/71/55/552367155.db2.gz LDFSNODJILTRPM-VTRQEKABSA-N 0 2 544.032 6.382 40 30 KKEBLN CCC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC)c1ccc(OC(F)F)cc1 ZINC000012311374 553357368 /nfs/dbraw/zinc/35/73/68/553357368.db2.gz DUYXJIHYMFOAJO-NLRVBDNBSA-N 0 2 520.514 5.232 40 30 KKEBLN Cc1cccc(C)c1NC(=O)CC1S/C(=N/c2ccc(F)cc2)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000012593671 553400611 /nfs/dbraw/zinc/40/06/11/553400611.db2.gz VROWKLCINXGYAR-HIDJJAHFSA-N 0 2 505.571 5.332 40 30 KKEBLN Cc1cccc(C)c1NC(=O)C[C@H]1S/C(=N/c2ccc(F)cc2)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000012593671 553400614 /nfs/dbraw/zinc/40/06/14/553400614.db2.gz VROWKLCINXGYAR-HIDJJAHFSA-N 0 2 505.571 5.332 40 30 KKEBLN COc1ccc(N=C2SC(CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000012647902 553409055 /nfs/dbraw/zinc/40/90/55/553409055.db2.gz YPYMCUUNXAWPJW-FJOMVMCCSA-N 0 2 522.026 5.712 40 30 KKEBLN COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000012647902 553409059 /nfs/dbraw/zinc/40/90/59/553409059.db2.gz YPYMCUUNXAWPJW-FJOMVMCCSA-N 0 2 522.026 5.712 40 30 KKEBLN Cc1cccc(C)c1NC(=O)CC1S/C(=N/c2ccc(Cl)c(Cl)c2)N(Cc2ccccn2)C1=O ZINC000013147601 553455454 /nfs/dbraw/zinc/45/54/54/553455454.db2.gz DOKWANJDTFUTMZ-FTFKPFSJSA-N 0 2 513.450 6.166 40 30 KKEBLN Cc1cccc(C)c1NC(=O)C[C@H]1S/C(=N/c2ccc(Cl)c(Cl)c2)N(Cc2ccccn2)C1=O ZINC000013147601 553455455 /nfs/dbraw/zinc/45/54/55/553455455.db2.gz DOKWANJDTFUTMZ-FTFKPFSJSA-N 0 2 513.450 6.166 40 30 KKEBLN Cc1c(Cl)cccc1NC(=O)CC1S/C(=N/c2cccc3ccccc32)N(C[C@H]2CCCO2)C1=O ZINC000015911469 553541213 /nfs/dbraw/zinc/54/12/13/553541213.db2.gz PERCQBCSDLQIGM-LSNQZGJCSA-N 0 2 508.043 5.941 40 30 KKEBLN Cc1c(Cl)cccc1NC(=O)C[C@H]1S/C(=N/c2cccc3ccccc32)N(C[C@H]2CCCO2)C1=O ZINC000015911469 553541214 /nfs/dbraw/zinc/54/12/14/553541214.db2.gz PERCQBCSDLQIGM-LSNQZGJCSA-N 0 2 508.043 5.941 40 30 KKEBLN Cc1ccc(/N=C2\SC(CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2Cc2ccccn2)c(C)c1 ZINC000015912127 553541469 /nfs/dbraw/zinc/54/14/69/553541469.db2.gz INJDIGZKXXDGNY-WRQBUUCKSA-N 0 2 512.557 5.878 40 30 KKEBLN Cc1ccc(/N=C2\S[C@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2Cc2ccccn2)c(C)c1 ZINC000015912127 553541470 /nfs/dbraw/zinc/54/14/70/553541470.db2.gz INJDIGZKXXDGNY-WRQBUUCKSA-N 0 2 512.557 5.878 40 30 KKEBLN Cc1ccc(/N=C2\SC(CC(=O)Nc3ccc(Br)cc3)C(=O)N2C2CCCC2)cc1Cl ZINC000015911608 553541475 /nfs/dbraw/zinc/54/14/75/553541475.db2.gz KFWUDTUCLJLLHF-SDZWUPGVSA-N 0 2 520.880 6.314 40 30 KKEBLN Cc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccc(Br)cc3)C(=O)N2C2CCCC2)cc1Cl ZINC000015911608 553541476 /nfs/dbraw/zinc/54/14/76/553541476.db2.gz KFWUDTUCLJLLHF-SDZWUPGVSA-N 0 2 520.880 6.314 40 30 KKEBLN Cc1cc(C)cc(/N=C2\SC(CC(=O)Nc3ccc(Br)cc3)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000015912911 553541789 /nfs/dbraw/zinc/54/17/89/553541789.db2.gz FKHCYKOGOVCWQO-RKCXDLFGSA-N 0 2 516.461 5.205 40 30 KKEBLN Cc1cc(C)cc(/N=C2\S[C@H](CC(=O)Nc3ccc(Br)cc3)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000015912911 553541790 /nfs/dbraw/zinc/54/17/90/553541790.db2.gz FKHCYKOGOVCWQO-RKCXDLFGSA-N 0 2 516.461 5.205 40 30 KKEBLN O=C(CC1S/C(=N\c2ccc(SC(F)F)cc2)N(C[C@H]2CCCO2)C1=O)Nc1ccc(F)cc1 ZINC000015912920 553541794 /nfs/dbraw/zinc/54/17/94/553541794.db2.gz XCUXYOTXEBGERZ-UQIYBUHHSA-N 0 2 509.575 5.280 40 30 KKEBLN O=C(C[C@@H]1S/C(=N\c2ccc(SC(F)F)cc2)N(C[C@H]2CCCO2)C1=O)Nc1ccc(F)cc1 ZINC000015912920 553541796 /nfs/dbraw/zinc/54/17/96/553541796.db2.gz XCUXYOTXEBGERZ-UQIYBUHHSA-N 0 2 509.575 5.280 40 30 KKEBLN O=[N+]([O-])c1cc(Cc2ccccc2Cl)cc(/C=N/c2cc(C(F)(F)F)ccc2N2CCOCC2)c1O ZINC000016450155 553565110 /nfs/dbraw/zinc/56/51/10/553565110.db2.gz LVAJSVJRMLYGDN-FJEPWZHXSA-N 0 2 519.907 6.151 40 30 KKEBLN COc1ccc(OC)c(NC(=O)CC2S/C(=N/c3ccc(F)cc3)N(CCC3=CCCCC3)C2=O)c1 ZINC000018067219 553603134 /nfs/dbraw/zinc/60/31/34/553603134.db2.gz MVPKXYGNXZGEIT-VDZPOYGUSA-N 0 2 511.619 5.694 40 30 KKEBLN COc1ccc(OC)c(NC(=O)C[C@H]2S/C(=N/c3ccc(F)cc3)N(CCC3=CCCCC3)C2=O)c1 ZINC000018067219 553603136 /nfs/dbraw/zinc/60/31/36/553603136.db2.gz MVPKXYGNXZGEIT-VDZPOYGUSA-N 0 2 511.619 5.694 40 30 KKEBLN COc1ccccc1[C@H](C#N)N1CCCN([C@H](C#N)c2ccccc2OC)C1c1cc(Cl)cc(Cl)c1O ZINC000019326026 553613457 /nfs/dbraw/zinc/61/34/57/553613457.db2.gz HBZPDFHHUQKGPV-XUEDKKMFSA-N 0 2 537.447 6.252 40 30 KKEBLN COC(=O)c1ccc(NC(=O)CC2S/C(=N\c3ccc(Cl)cc3)N(Cc3ccccc3)C2=O)cc1 ZINC000020220835 553616033 /nfs/dbraw/zinc/61/60/33/553616033.db2.gz ZBBSEQNWTBBHPU-DSWYMIRZSA-N 0 2 507.999 5.287 40 30 KKEBLN COC(=O)c1ccc(NC(=O)C[C@H]2S/C(=N\c3ccc(Cl)cc3)N(Cc3ccccc3)C2=O)cc1 ZINC000020220835 553616036 /nfs/dbraw/zinc/61/60/36/553616036.db2.gz ZBBSEQNWTBBHPU-DSWYMIRZSA-N 0 2 507.999 5.287 40 30 KKEBLN COC(=O)c1ccc(NC(=O)CC2S/C(=N\c3ccc(Cl)cc3)N(Cc3ccccc3)C2=O)cc1 ZINC000020220833 553616076 /nfs/dbraw/zinc/61/60/76/553616076.db2.gz ZBBSEQNWTBBHPU-RPHWMWBOSA-N 0 2 507.999 5.287 40 30 KKEBLN COC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccc(Cl)cc3)N(Cc3ccccc3)C2=O)cc1 ZINC000020220833 553616079 /nfs/dbraw/zinc/61/60/79/553616079.db2.gz ZBBSEQNWTBBHPU-RPHWMWBOSA-N 0 2 507.999 5.287 40 30 KKEBLN COC(=O)C(=C(O)C(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1csc(-n2nc(-c3ccccc3)cc2-c2ccccc2)n1 ZINC000082190848 553675813 /nfs/dbraw/zinc/67/58/13/553675813.db2.gz RFXGTFMPZFBPSY-VWLOTQADSA-N 0 2 635.580 6.704 40 30 KKEBLN Oc1c(Br)cc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1Br ZINC000095663364 553706781 /nfs/dbraw/zinc/70/67/81/553706781.db2.gz QKOOTYBFCSHOOP-MPUCSWFWSA-N 0 2 522.049 6.794 40 30 KKEBLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC1C[C@@H](c2ccccc2)Oc2ccccc21 ZINC000096022324 553720702 /nfs/dbraw/zinc/72/07/02/553720702.db2.gz JYOFLZLSAHBBGN-GJRHSESZSA-N 0 2 544.589 5.744 40 30 KKEBLN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2ccccc2Br)c(C)c1 ZINC000025389518 553806974 /nfs/dbraw/zinc/80/69/74/553806974.db2.gz CEDCYIKEKINCQY-YDZHTSKRSA-N 0 2 503.378 5.221 40 30 KKEBLN Cc1cccc(/N=C2/SC(CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2CCc2ccc(Cl)cc2Cl)c1C ZINC000097981989 553998876 /nfs/dbraw/zinc/99/88/76/553998876.db2.gz SJDPWTMZWUBIKN-CBGLEEMUSA-N 0 2 594.486 7.832 40 30 KKEBLN Cc1cccc(/N=C2/S[C@@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2CCc2ccc(Cl)cc2Cl)c1C ZINC000097981989 553998878 /nfs/dbraw/zinc/99/88/78/553998878.db2.gz SJDPWTMZWUBIKN-CBGLEEMUSA-N 0 2 594.486 7.832 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N/c3ccc(Cl)cc3)N(Cc3ccccc3Cl)C2=O)c([N+](=O)[O-])c1 ZINC000097982060 553999547 /nfs/dbraw/zinc/99/95/47/553999547.db2.gz JCSQCJGBWSMKNJ-ZAROTGLESA-N 0 2 559.431 6.071 40 30 KKEBLN COc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(Cl)cc3)N(Cc3ccccc3Cl)C2=O)c([N+](=O)[O-])c1 ZINC000097982060 553999549 /nfs/dbraw/zinc/99/95/49/553999549.db2.gz JCSQCJGBWSMKNJ-ZAROTGLESA-N 0 2 559.431 6.071 40 30 KKEBLN O=C(CC1S/C(=N/c2cccc3ccccc32)N(CCC2=CCCCC2)C1=O)Nc1cccc2ccccc21 ZINC000097982109 553999902 /nfs/dbraw/zinc/99/99/02/553999902.db2.gz FFMTVFXKJVZFLL-HUEIIMIESA-N 0 2 533.697 7.844 40 30 KKEBLN O=C(C[C@@H]1S/C(=N/c2cccc3ccccc32)N(CCC2=CCCCC2)C1=O)Nc1cccc2ccccc21 ZINC000097982109 553999904 /nfs/dbraw/zinc/99/99/04/553999904.db2.gz FFMTVFXKJVZFLL-HUEIIMIESA-N 0 2 533.697 7.844 40 30 KKEBLN O=C(Oc1ccc(CN=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1cccnc1 ZINC000097982480 554002795 /nfs/dbraw/zinc/00/27/95/554002795.db2.gz PSDIZJXAPZIGFE-RWPZCVJISA-N 0 2 551.968 5.109 40 30 KKEBLN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC(C)c2ccc(OC(F)F)cc2)c(C)c1 ZINC000035105360 554034999 /nfs/dbraw/zinc/03/49/99/554034999.db2.gz QEYUAMOEHCQAOC-QQXSKIMKSA-N 0 2 504.515 5.450 40 30 KKEBLN CC(/C=N/N=C1\SC(CC(=O)Nc2ccc(Cl)cc2)C(=O)N1Cc1ccco1)=C/c1ccccc1 ZINC000097998596 554041660 /nfs/dbraw/zinc/04/16/60/554041660.db2.gz QXNVYNWECDKDQE-VPUWTYTNSA-N 0 2 507.015 5.851 40 30 KKEBLN CCCCCCCCCCCCCOC[C@@H](O)COc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(C)cc3C)n2)c(O)c1 ZINC000100042272 554192723 /nfs/dbraw/zinc/19/27/23/554192723.db2.gz PSMYELRXRQIDAX-MGBGTMOVSA-N 0 2 653.908 9.879 40 30 KKEBLN Cc1ccc(-c2csc(N3N=C(c4ccc([N+](=O)[O-])cc4)C(=NNc4cccc(C)c4C)C3=O)n2)cc1 ZINC000100135633 554226648 /nfs/dbraw/zinc/22/66/48/554226648.db2.gz FYMGXRVCHDCTKJ-QCWLDUFUSA-N 0 2 510.579 5.863 40 30 KKEBLN CCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C(=O)OC)cc1 ZINC000059102880 554378760 /nfs/dbraw/zinc/37/87/60/554378760.db2.gz YKWBRJPXMZZPIK-MUUNZHRXSA-N 0 2 535.681 6.981 40 30 KKEBLN C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OC)c1OC ZINC000059105041 554380061 /nfs/dbraw/zinc/38/00/61/554380061.db2.gz RSIBORCYBMGGTC-VULFUBBASA-N 0 2 526.633 6.407 40 30 KKEBLN C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000059135608 554381468 /nfs/dbraw/zinc/38/14/68/554381468.db2.gz BYUQZVBGAKKLDQ-BUVRLJJBSA-N 0 2 518.516 6.178 40 30 KKEBLN C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000059135584 554381605 /nfs/dbraw/zinc/38/16/05/554381605.db2.gz WJYVPZHKGDSNRU-BUVRLJJBSA-N 0 2 500.526 5.957 40 30 KKEBLN O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C\c1cc(Br)c(O)c(Br)c1 ZINC000100454659 554395706 /nfs/dbraw/zinc/39/57/06/554395706.db2.gz CDUNQDSWBMNDSJ-SDQBBNPISA-N 0 2 523.033 6.116 40 30 KKEBLN O=[N+]([O-])c1cc(/C=N/c2ccc3nc(Sc4nc(Nc5ccccc5)nc(Nc5ccccc5)n4)sc3c2)ccc1O ZINC000100455374 554396114 /nfs/dbraw/zinc/39/61/14/554396114.db2.gz XMYXRIFPSAQMFI-OCSSWDANSA-N 0 2 592.666 7.484 40 30 KKEBLN O=c1[nH]c2c(s1)[C@@H](c1ccc(Cl)cc1)[C@@H]1[C@@H]3C[C@H]([C@H]1S2)[C@@H]1C(=O)N(N=Cc2ccc(Cl)cc2)C(=O)[C@@H]31 ZINC000059690555 554424302 /nfs/dbraw/zinc/42/43/02/554424302.db2.gz GARURRBBVQIVMS-QCYWVCNRSA-N 0 2 556.496 5.251 40 30 KKEBLN COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCC#N ZINC000059861126 554456332 /nfs/dbraw/zinc/45/63/32/554456332.db2.gz JPYYPCPLLUPQQM-ZMOGYAJESA-N 0 2 511.578 5.572 40 30 KKEBLN O=[N+]([O-])c1cc(Cc2ccccc2Cl)cc(/C=N/c2ccc3oc(-c4ccccc4Br)nc3c2)c1O ZINC000100958265 554541163 /nfs/dbraw/zinc/54/11/63/554541163.db2.gz HXUMZFDTFUCAHF-FJEPWZHXSA-N 0 2 562.807 7.866 40 30 KKEBLN O=C(C[C@@H]1S/C(=N/S(=O)(=O)c2ccc(Cl)s2)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000100975569 554546767 /nfs/dbraw/zinc/54/67/67/554546767.db2.gz ZBOPVAGOJMWZRS-WDGPBFJASA-N 0 2 540.475 5.277 40 30 KKEBLN O=C(C[C@H]1S/C(=N/S(=O)(=O)c2ccc(Cl)cc2)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000100975685 554546842 /nfs/dbraw/zinc/54/68/42/554546842.db2.gz LYUNOOPTSDYQQX-NUIVBQGBSA-N 0 2 534.446 5.216 40 30 KKEBLN C=CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000101037059 554566300 /nfs/dbraw/zinc/56/63/00/554566300.db2.gz PISSPNRIYKEOHN-UHFFFAOYSA-N 0 2 591.763 5.367 40 30 KKEBLN Cc1ccccc1NC(=O)CC1S/C(=N/S(=O)(=O)c2ccc(Br)cc2)N(C2CCCCC2)C1=O ZINC000101042740 554567930 /nfs/dbraw/zinc/56/79/30/554567930.db2.gz QALJKCZBTDFADN-RTGZZVAKSA-N 0 2 564.527 5.108 40 30 KKEBLN CCc1ccc(S(=O)(=O)/N=C2/SC(CC(=O)Nc3ccc(Cl)cc3)C(=O)N2C2CCCCC2)cc1 ZINC000101042883 554567995 /nfs/dbraw/zinc/56/79/95/554567995.db2.gz BVOOJBWQMAXMLQ-ZAROTGLESA-N 0 2 534.103 5.253 40 30 KKEBLN O=C(CC1S/C(=N/S(=O)(=O)c2ccc(Cl)s2)N(C2CCCCC2)C1=O)Nc1ccc(Cl)cc1 ZINC000101043107 554568201 /nfs/dbraw/zinc/56/82/01/554568201.db2.gz BKLAJKNLIKXVMD-WDGPBFJASA-N 0 2 546.523 5.405 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N/c3ccc(F)cc3)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000101601765 554803902 /nfs/dbraw/zinc/80/39/02/554803902.db2.gz DGZDHNMVKALEDN-BGVLTHFVSA-N 0 2 537.613 5.055 40 30 KKEBLN COc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(F)cc3)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000101601765 554803904 /nfs/dbraw/zinc/80/39/04/554803904.db2.gz DGZDHNMVKALEDN-BGVLTHFVSA-N 0 2 537.613 5.055 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N/c3ccc(F)cc3)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000101601772 554803918 /nfs/dbraw/zinc/80/39/18/554803918.db2.gz DGZDHNMVKALEDN-SXTXFEDFSA-N 0 2 537.613 5.055 40 30 KKEBLN COc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(F)cc3)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000101601772 554803921 /nfs/dbraw/zinc/80/39/21/554803921.db2.gz DGZDHNMVKALEDN-SXTXFEDFSA-N 0 2 537.613 5.055 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3ccc(OCC)cc3)C(=O)N2Cc2cc(F)c(F)c(F)c2F)cc1 ZINC000102406424 554921079 /nfs/dbraw/zinc/92/10/79/554921079.db2.gz PHJIRZNCLHEFGA-JQDUWNPKSA-N 0 2 603.594 5.979 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(OCC)cc3)C(=O)N2Cc2cc(F)c(F)c(F)c2F)cc1 ZINC000102406424 554921082 /nfs/dbraw/zinc/92/10/82/554921082.db2.gz PHJIRZNCLHEFGA-JQDUWNPKSA-N 0 2 603.594 5.979 40 30 KKEBLN CCCCCCOc1ccc(NC(=O)CC2S/C(=N/c3ccc(Cl)c(Cl)c3)N(CC)C2=O)cc1 ZINC000102408261 554922803 /nfs/dbraw/zinc/92/28/03/554922803.db2.gz YGEBMROOUZMWGJ-MVQVBJGYSA-N 0 2 522.498 6.933 40 30 KKEBLN CCCCCCOc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(Cl)c(Cl)c3)N(CC)C2=O)cc1 ZINC000102408261 554922806 /nfs/dbraw/zinc/92/28/06/554922806.db2.gz YGEBMROOUZMWGJ-MVQVBJGYSA-N 0 2 522.498 6.933 40 30 KKEBLN Cc1ccc(NC(=O)CC2S/C(=N/c3cc(C(F)(F)F)ccc3Cl)N(Cc3ccccn3)C2=O)cc1 ZINC000102926939 555151507 /nfs/dbraw/zinc/15/15/07/555151507.db2.gz FEEJNBNXMYWUCA-PVGSGDBZSA-N 0 2 532.975 6.223 40 30 KKEBLN Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3cc(C(F)(F)F)ccc3Cl)N(Cc3ccccn3)C2=O)cc1 ZINC000102926939 555151512 /nfs/dbraw/zinc/15/15/12/555151512.db2.gz FEEJNBNXMYWUCA-PVGSGDBZSA-N 0 2 532.975 6.223 40 30 KKEBLN COc1ccc(N=C2SC(CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000102961612 555177605 /nfs/dbraw/zinc/17/76/05/555177605.db2.gz LCDHALVKESFWQK-MOWOTRKXSA-N 0 2 561.660 5.118 40 30 KKEBLN COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000102961612 555177607 /nfs/dbraw/zinc/17/76/07/555177607.db2.gz LCDHALVKESFWQK-MOWOTRKXSA-N 0 2 561.660 5.118 40 30 KKEBLN O=C(CC1S/C(=N\c2ccc(OC(F)F)cc2)N(C2CCCC2)C1=O)Nc1ccccc1C(F)(F)F ZINC000102961908 555178062 /nfs/dbraw/zinc/17/80/62/555178062.db2.gz QEDNDSRRZNDSDS-YXUCPWRSSA-N 0 2 527.515 6.210 40 30 KKEBLN O=C(C[C@H]1S/C(=N\c2ccc(OC(F)F)cc2)N(C2CCCC2)C1=O)Nc1ccccc1C(F)(F)F ZINC000102961908 555178064 /nfs/dbraw/zinc/17/80/64/555178064.db2.gz QEDNDSRRZNDSDS-YXUCPWRSSA-N 0 2 527.515 6.210 40 30 KKEBLN Cc1ccc(/N=C2/SC(CC(=O)Nc3ccc(Br)cc3)C(=O)N2C2CCCC2)cc1Cl ZINC000102962083 555178275 /nfs/dbraw/zinc/17/82/75/555178275.db2.gz KFWUDTUCLJLLHF-LGADCTONSA-N 0 2 520.880 6.314 40 30 KKEBLN Cc1ccc(/N=C2/S[C@@H](CC(=O)Nc3ccc(Br)cc3)C(=O)N2C2CCCC2)cc1Cl ZINC000102962083 555178276 /nfs/dbraw/zinc/17/82/76/555178276.db2.gz KFWUDTUCLJLLHF-LGADCTONSA-N 0 2 520.880 6.314 40 30 KKEBLN COc1ccc(OC)c(NC(=O)CC2S/C(=N/c3cc(C)cc(C)c3)N(CCC3=CCCCC3)C2=O)c1 ZINC000102962029 555178288 /nfs/dbraw/zinc/17/82/88/555178288.db2.gz VOXKZHQWOADZTN-MBESXQTPSA-N 0 2 521.683 6.171 40 30 KKEBLN COc1ccc(OC)c(NC(=O)C[C@H]2S/C(=N/c3cc(C)cc(C)c3)N(CCC3=CCCCC3)C2=O)c1 ZINC000102962029 555178291 /nfs/dbraw/zinc/17/82/91/555178291.db2.gz VOXKZHQWOADZTN-MBESXQTPSA-N 0 2 521.683 6.171 40 30 KKEBLN Cc1ccc(/N=C2\SC(CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)C(=O)N2[C@@H](C)C(C)C)c(C)c1 ZINC000102962352 555178442 /nfs/dbraw/zinc/17/84/42/555178442.db2.gz BDMSYDFLRBSLCP-DRCMCLHKSA-N 0 2 503.024 5.870 40 30 KKEBLN Cc1ccc(/N=C2\S[C@H](CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)C(=O)N2[C@@H](C)C(C)C)c(C)c1 ZINC000102962352 555178445 /nfs/dbraw/zinc/17/84/45/555178445.db2.gz BDMSYDFLRBSLCP-DRCMCLHKSA-N 0 2 503.024 5.870 40 30 KKEBLN Cc1ccc(C)c(/N=C2\SC(CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2CCc2ccc(Cl)cc2Cl)c1 ZINC000102962283 555178492 /nfs/dbraw/zinc/17/84/92/555178492.db2.gz CEJXVVIUBTYDKC-HLNZKSBVSA-N 0 2 594.486 7.832 40 30 KKEBLN Cc1ccc(C)c(/N=C2\S[C@@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2CCc2ccc(Cl)cc2Cl)c1 ZINC000102962283 555178495 /nfs/dbraw/zinc/17/84/95/555178495.db2.gz CEJXVVIUBTYDKC-HLNZKSBVSA-N 0 2 594.486 7.832 40 30 KKEBLN Cc1ccc(/N=C2\SC(CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2ccc3c(c2)OCO3)c(C)c1 ZINC000102962422 555178727 /nfs/dbraw/zinc/17/87/27/555178727.db2.gz LATNLQDSEMUUNI-MLOWHTBOSA-N 0 2 537.641 6.346 40 30 KKEBLN Cc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2ccc3c(c2)OCO3)c(C)c1 ZINC000102962422 555178730 /nfs/dbraw/zinc/17/87/30/555178730.db2.gz LATNLQDSEMUUNI-MLOWHTBOSA-N 0 2 537.641 6.346 40 30 KKEBLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1cc(C)n(-c2ccc(C)cc2)c1C ZINC000102970947 555181460 /nfs/dbraw/zinc/18/14/60/555181460.db2.gz WSZUURGTUXHHHX-OGLMXYFKSA-N 0 2 533.610 5.566 40 30 KKEBLN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccc(C)cc2C)c(C)n1-c1ccc(Cl)cc1 ZINC000102980341 555187461 /nfs/dbraw/zinc/18/74/61/555187461.db2.gz LAYKMUZUKZVTEA-MUFRIFMGSA-N 0 2 552.056 6.519 40 30 KKEBLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2c3ccccc3[nH]c2-c2ccccc2)cc1 ZINC000102983290 555189220 /nfs/dbraw/zinc/18/92/20/555189220.db2.gz QCIOHTDTAPSQPN-RDRPBHBLSA-N 0 2 541.589 5.999 40 30 KKEBLN Cc1ccc(C)c(/N=C2\SC(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2C[C@H]2CCCO2)c1 ZINC000102996910 555196493 /nfs/dbraw/zinc/19/64/93/555196493.db2.gz SDJBEXBCXURJTL-XATIIVMBSA-N 0 2 540.900 6.403 40 30 KKEBLN Cc1ccc(C)c(/N=C2\S[C@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2C[C@H]2CCCO2)c1 ZINC000102996910 555196496 /nfs/dbraw/zinc/19/64/96/555196496.db2.gz SDJBEXBCXURJTL-XATIIVMBSA-N 0 2 540.900 6.403 40 30 KKEBLN Cc1ccc(/N=C2\SC(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2C[C@H]2CCCO2)c(C)c1 ZINC000103001228 555201246 /nfs/dbraw/zinc/20/12/46/555201246.db2.gz LFEUYMFDDBOWLH-XATIIVMBSA-N 0 2 540.900 6.403 40 30 KKEBLN Cc1ccc(/N=C2\S[C@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2C[C@H]2CCCO2)c(C)c1 ZINC000103001228 555201249 /nfs/dbraw/zinc/20/12/49/555201249.db2.gz LFEUYMFDDBOWLH-XATIIVMBSA-N 0 2 540.900 6.403 40 30 KKEBLN CCCCCCCCCCCCOC(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc1-2 ZINC000103650860 555461028 /nfs/dbraw/zinc/46/10/28/555461028.db2.gz VGAMOSIAHLQGAX-UHFFFAOYSA-N 0 2 500.635 8.348 40 30 KKEBLN O=C(CSc1nc2ccc(/N=C/c3cc(Br)c(O)c(Br)c3)cc2s1)NC[C@H]1CCCO1 ZINC000103754762 555469142 /nfs/dbraw/zinc/46/91/42/555469142.db2.gz LOLQMMCPZRPOFQ-UUCQMEITSA-N 0 2 585.343 5.665 40 30 KKEBLN O=C(CSc1nc2ccc(/N=C/c3cc(Br)c(O)c(Br)c3)cc2s1)NC[C@@H]1CCCO1 ZINC000103754759 555469153 /nfs/dbraw/zinc/46/91/53/555469153.db2.gz LOLQMMCPZRPOFQ-GNIOVPSRSA-N 0 2 585.343 5.665 40 30 KKEBLN N#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1I ZINC000103843501 571362820 /nfs/dbraw/zinc/36/28/20/571362820.db2.gz IRJDPDALANTFAB-FSJBWODESA-N 0 2 607.448 5.328 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(OCC)ccc3OCC)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000103843628 571362842 /nfs/dbraw/zinc/36/28/42/571362842.db2.gz SCVZMVFEGXOSSV-YZSQISJMSA-N 0 2 588.632 5.996 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000103844855 571362965 /nfs/dbraw/zinc/36/29/65/571362965.db2.gz ZBJSFTNOOLUOKO-SRZZPIQSSA-N 0 2 579.378 5.291 40 30 KKEBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1sc(C)c(C)c1C#N ZINC000103845028 571363089 /nfs/dbraw/zinc/36/30/89/571363089.db2.gz RFEXLCYSYGGWBJ-XODNFHPESA-N 0 2 578.738 6.778 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000103850580 571364631 /nfs/dbraw/zinc/36/46/31/571364631.db2.gz ZXNHCKOLLWQHQO-HZHRSRAPSA-N 0 2 535.369 5.562 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000103850801 571364780 /nfs/dbraw/zinc/36/47/80/571364780.db2.gz JYLJDPMAHFADHT-MTDXEUNCSA-N 0 2 550.586 6.352 40 30 KKEBLN O=C(CC1S/C(=N\c2ccc(OC(F)F)cc2)N([C@H]2CCCc3ccccc32)C1=O)Nc1ccccc1 ZINC000112362068 571438517 /nfs/dbraw/zinc/43/85/17/571438517.db2.gz GWCXNJWXRCEVQI-NRWFOCMSSA-N 0 2 521.589 6.326 40 30 KKEBLN O=C(C[C@H]1S/C(=N\c2ccc(OC(F)F)cc2)N([C@H]2CCCc3ccccc32)C1=O)Nc1ccccc1 ZINC000112362068 571438519 /nfs/dbraw/zinc/43/85/19/571438519.db2.gz GWCXNJWXRCEVQI-NRWFOCMSSA-N 0 2 521.589 6.326 40 30 KKEBLN O=C(CSc1nc2ccc(/N=C/c3cc(Br)c(O)c(Br)c3)cc2s1)Nc1ccccc1C(F)(F)F ZINC000150383255 571467678 /nfs/dbraw/zinc/46/76/78/571467678.db2.gz IKDTYZNIYKPOKZ-VYVUJPJFSA-N 0 2 645.320 8.027 40 30 KKEBLN CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccc(Br)c(/N=C/c5cc([N+](=O)[O-])cc(OCC)c5O)c4)nc3c2)c1O ZINC000150509363 571519653 /nfs/dbraw/zinc/51/96/53/571519653.db2.gz FFNKSCFPYMKONY-KXJQYHRCSA-N 0 2 690.463 7.784 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000164443286 571547716 /nfs/dbraw/zinc/54/77/16/571547716.db2.gz AGWQQAKBFGGDKF-BUVRLJJBSA-N 0 2 640.328 6.584 40 30 KKEBLN CCCCCCCCCCCCc1ccc(CSc2nc3ccc(/N=C/c4cc(Br)c(O)c(Br)c4)cc3s2)cc1 ZINC000164467002 571548709 /nfs/dbraw/zinc/54/87/09/571548709.db2.gz GYLVZDBQSAJKFA-HPNXWYHWSA-N 0 2 702.622 12.033 40 30 KKEBLN O=C(CSc1nc2ccc(/N=C/c3cc(I)c(O)c(I)c3)cc2s1)Nc1ccccc1[N+](=O)[O-] ZINC000164705521 571550522 /nfs/dbraw/zinc/55/05/22/571550522.db2.gz MWBXNDNGCMVCLJ-KIBLKLHPSA-N 0 2 716.320 6.601 40 30 KKEBLN O=C(CSc1nc2ccc(/N=C/c3cc(I)c(O)c(I)c3)cc2s1)NC[C@H]1CCCO1 ZINC000164707451 571550675 /nfs/dbraw/zinc/55/06/75/571550675.db2.gz SNWFOMFWHOYNLY-UUCQMEITSA-N 0 2 679.343 5.349 40 30 KKEBLN O=C(CSc1nc2ccc(/N=C/c3cc(I)c(O)c(I)c3)cc2s1)NC[C@@H]1CCCO1 ZINC000164707323 571550697 /nfs/dbraw/zinc/55/06/97/571550697.db2.gz SNWFOMFWHOYNLY-GNIOVPSRSA-N 0 2 679.343 5.349 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1OCC ZINC000408537634 572195800 /nfs/dbraw/zinc/19/58/00/572195800.db2.gz GMOBMWHLGSSDDU-CJLVFECKSA-N 0 2 573.484 6.262 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Cl ZINC000408537759 572196125 /nfs/dbraw/zinc/19/61/25/572196125.db2.gz HGVJMUQELOCMAN-STZFKDTASA-N 0 2 517.453 7.016 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OCC ZINC000408537920 572196408 /nfs/dbraw/zinc/19/64/08/572196408.db2.gz IBEYHPWGKCSGLZ-STZFKDTASA-N 0 2 588.455 6.162 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000408538118 572196886 /nfs/dbraw/zinc/19/68/86/572196886.db2.gz JGXCMBZGACBYIV-PDGQHHTCSA-N 0 2 553.870 7.061 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000408539658 572202812 /nfs/dbraw/zinc/20/28/12/572202812.db2.gz XWNVBYCRTJPTKH-UYRXBGFRSA-N 0 2 523.844 7.053 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OCC ZINC000408539980 572204239 /nfs/dbraw/zinc/20/42/39/572204239.db2.gz LHLHGQKVYIXWPG-HKWRFOASSA-N 0 2 591.930 7.215 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OCC ZINC000408540124 572204609 /nfs/dbraw/zinc/20/46/09/572204609.db2.gz NJNSSQDKYCWXDR-KGENOOAVSA-N 0 2 591.930 7.215 40 30 KKEBLN CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(c4ccccc4NC3=O)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1C#N ZINC000408566041 572253293 /nfs/dbraw/zinc/25/32/93/572253293.db2.gz MRHVQLUSKHWKPQ-LXVLGKFKSA-N 0 2 559.022 5.244 40 30 KKEBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(c4ccccc4NC3=O)N3CCC[C@@H]23)cc(Cl)c1OCc1ccccc1C#N ZINC000408566041 572253295 /nfs/dbraw/zinc/25/32/95/572253295.db2.gz MRHVQLUSKHWKPQ-LXVLGKFKSA-N 0 2 559.022 5.244 40 30 KKEBLN CCOc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3(c4ccccc4NC3=O)N3CCC[C@@H]23)cc(Cl)c1OCc1ccccc1C#N ZINC000408566034 572253329 /nfs/dbraw/zinc/25/33/29/572253329.db2.gz MRHVQLUSKHWKPQ-ATBUFXNFSA-N 0 2 559.022 5.244 40 30 KKEBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(c4ccccc4NC3=O)N3CCC[C@@H]23)cc(Cl)c1OCc1ccccc1C#N ZINC000408566034 572253331 /nfs/dbraw/zinc/25/33/31/572253331.db2.gz MRHVQLUSKHWKPQ-ATBUFXNFSA-N 0 2 559.022 5.244 40 30 KKEBLN C#CCOc1c(Br)cc(C(c2c(C)[nH]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1OC ZINC000108423388 1069721022 /nfs/dbraw/zinc/72/10/22/1069721022.db2.gz MTQSICMVNOKDJF-UHFFFAOYSA-N 0 2 599.485 6.049 40 30 KKEBLN C=CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1OCC ZINC000408768652 1069873920 /nfs/dbraw/zinc/87/39/20/1069873920.db2.gz ZPBICKJOACKPME-RIYZIHGNSA-N 0 2 620.749 5.593 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408772221 1069883156 /nfs/dbraw/zinc/88/31/56/1069883156.db2.gz CTAPSZSGVQFKOW-YDZHTSKRSA-N 0 2 565.453 6.593 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OCc1ccc(I)cc1 ZINC000408778997 1069899453 /nfs/dbraw/zinc/89/94/53/1069899453.db2.gz OOIZHBPRWFIUBU-BUVRLJJBSA-N 0 2 608.432 5.582 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000408781736 1069916160 /nfs/dbraw/zinc/91/61/60/1069916160.db2.gz DJFKVFITWFEMRE-BUVRLJJBSA-N 0 2 516.981 5.631 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000408787156 1069923795 /nfs/dbraw/zinc/92/37/95/1069923795.db2.gz SNZJDMLKUQYOJR-ZVHZXABRSA-N 0 2 671.329 6.644 40 30 KKEBLN C#CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1OCC ZINC000408824329 1069987498 /nfs/dbraw/zinc/98/74/98/1069987498.db2.gz HYUZWDQNUQLMHV-WSDLNYQXSA-N 0 2 644.305 6.412 40 30 KKEBLN C=CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccc(C)cc3)cc2)C1=O ZINC000408821058 1069996057 /nfs/dbraw/zinc/99/60/57/1069996057.db2.gz BXKZXMPCLMVDAV-TURZUDJPSA-N 0 2 518.569 5.958 40 30 KKEBLN C#CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O ZINC000408821766 1069999034 /nfs/dbraw/zinc/99/90/34/1069999034.db2.gz KDZDIPLHUGWUCE-HYARGMPZSA-N 0 2 521.356 5.251 40 30 KKEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)cc1OC ZINC000408825931 1070001776 /nfs/dbraw/zinc/00/17/76/1070001776.db2.gz SCEZHNLAXBNMBN-VSXUNDGWSA-N 0 2 660.170 7.457 40 30 KKEBLN C#CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1OC ZINC000408826025 1070002259 /nfs/dbraw/zinc/00/22/59/1070002259.db2.gz SKKBJIJUUJSUKO-FYJGNVAPSA-N 0 2 642.833 5.211 40 30 KKEBLN C#CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)C1=O ZINC000408824496 1070009545 /nfs/dbraw/zinc/00/95/45/1070009545.db2.gz HVOMDGNPTHZURT-VPPMLDDVSA-N 0 2 593.683 6.243 40 30 KKEBLN C=CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)C1=O ZINC000408836611 1070027757 /nfs/dbraw/zinc/02/77/57/1070027757.db2.gz SYCMHSCCYDQDHK-VFATYNKOSA-N 0 2 645.759 7.949 40 30 KKEBLN O=C(Nc1ccccc1)c1c(/N=C\c2cc(Br)c(O)c(Br)c2)sc2c1CCCC2 ZINC000408851431 1070066254 /nfs/dbraw/zinc/06/62/54/1070066254.db2.gz JZLJDXMFTMTOQS-ROTLSHHCSA-N 0 2 534.273 6.860 40 30 KKEBLN O=C1/C(=C/c2cccc([N+](=O)[O-])c2O)S/C(=N\c2ccc([N+](=O)[O-])cc2)N1CCc1c[nH]c2ccccc12 ZINC000408939012 1070281449 /nfs/dbraw/zinc/28/14/49/1070281449.db2.gz SVIXLKLQSGPSBP-GWISFZTMSA-N 0 2 529.534 5.537 40 30 KKEBLN C=CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OCC ZINC000408946618 1070309559 /nfs/dbraw/zinc/30/95/59/1070309559.db2.gz ATALCACGUQKCBZ-DHRITJCHSA-N 0 2 605.529 6.547 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000408981265 1070339066 /nfs/dbraw/zinc/33/90/66/1070339066.db2.gz AJSOETYURDFBFB-QRVIBDJDSA-N 0 2 595.877 6.393 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccccc1Cl ZINC000408985670 1070346503 /nfs/dbraw/zinc/34/65/03/1070346503.db2.gz XLHZMBQREMFEBC-HMAPJEAMSA-N 0 2 521.400 6.276 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408994066 1070370022 /nfs/dbraw/zinc/37/00/22/1070370022.db2.gz YGANJXUJSFYHNV-NHDPSOOVSA-N 0 2 585.871 6.938 40 30 KKEBLN C=CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000409041903 1070445765 /nfs/dbraw/zinc/44/57/65/1070445765.db2.gz KRAZLHUFCFAJIG-OQLLNIDSSA-N 0 2 540.595 5.096 40 30 KKEBLN C#CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br ZINC000409044105 1070450887 /nfs/dbraw/zinc/45/08/87/1070450887.db2.gz AWNLXYMAGWLHGG-WUXMJOGZSA-N 0 2 573.024 5.197 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409064827 1070481018 /nfs/dbraw/zinc/48/10/18/1070481018.db2.gz GPZUUQXRBXZGES-PXLXIMEGSA-N 0 2 551.426 6.366 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409078223 1070513587 /nfs/dbraw/zinc/51/35/87/1070513587.db2.gz HBKLZXCNLRNQLS-FYJGNVAPSA-N 0 2 592.948 5.742 40 30 KKEBLN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O)c(Br)c1 ZINC000409324313 1070814745 /nfs/dbraw/zinc/81/47/45/1070814745.db2.gz SFDJUXSSERPQIT-UHFFFAOYSA-N 0 2 544.041 5.224 40 30 KKEBLN COc1cc(C=C2SC(=N)C(c3nccs3)=C2O)cc(I)c1OCc1ccc(Br)cc1 ZINC000409337679 1070859172 /nfs/dbraw/zinc/85/91/72/1070859172.db2.gz XULYXJHAROFOHQ-ZHICUMMLSA-N 0 2 627.323 6.516 40 30 KKEBLN O=C1/C(=C\c2cc(Br)c(O)c(Br)c2)S/C(=N\c2ccccc2)N1CCc1ccccc1 ZINC000408905674 1070898785 /nfs/dbraw/zinc/89/87/85/1070898785.db2.gz CGFRMYFQPACNSS-KLUIENCOSA-N 0 2 558.295 6.764 40 30 KKEBLN CCCC[Si]([C@@H]1CCC[C@H](C(F)(F)F)C1)([C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000195766532 1071214725 /nfs/dbraw/zinc/21/47/25/1071214725.db2.gz XIMIMAOJORLRCL-YVZLVKDNSA-N 0 2 538.655 10.603 40 30 KKEBLN C=CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1I ZINC000408952656 1071343973 /nfs/dbraw/zinc/34/39/73/1071343973.db2.gz OPAHSVMGOKZOLT-FOKLQQMPSA-N 0 2 734.372 6.595 40 30 KKEBLN C#CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OCC ZINC000408956788 1071375754 /nfs/dbraw/zinc/37/57/54/1071375754.db2.gz YLDMADWGWCNILZ-DHRITJCHSA-N 0 2 603.513 5.994 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000408956380 1071379211 /nfs/dbraw/zinc/37/92/11/1071379211.db2.gz WIZJSTPRIVVSBW-ZVHZXABRSA-N 0 2 540.572 5.096 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OCC)c1OCc1ccc(I)cc1 ZINC000408955154 1071387021 /nfs/dbraw/zinc/38/70/21/1071387021.db2.gz SWPIUZBBUATWAA-DPNNOFEESA-N 0 2 742.654 8.132 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000408986742 1071488779 /nfs/dbraw/zinc/48/87/79/1071488779.db2.gz DHSWRLARKAJUNO-QRVIBDJDSA-N 0 2 534.971 5.770 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OCc1ccc2c(c1)OCO2 ZINC000408986314 1071492355 /nfs/dbraw/zinc/49/23/55/1071492355.db2.gz BSSLVQXEDRJDSX-JJFYIABZSA-N 0 2 560.990 5.360 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408984225 1071511553 /nfs/dbraw/zinc/51/15/53/1071511553.db2.gz QBNZFRRCRNDGTN-UUYOSTAYSA-N 0 2 644.747 7.147 40 30 KKEBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000408984129 1071513317 /nfs/dbraw/zinc/51/33/17/1071513317.db2.gz PTVGVXUFSJRQAJ-UKWGHVSLSA-N 0 2 536.371 5.428 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000408983878 1071513391 /nfs/dbraw/zinc/51/33/91/1071513391.db2.gz NWJIWFNQMQYKEC-PKAZHMFMSA-N 0 2 537.015 6.776 40 30 KKEBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000408982606 1071525319 /nfs/dbraw/zinc/52/53/19/1071525319.db2.gz IGNIFKDTRQIJSE-FBHDLOMBSA-N 0 2 594.849 5.927 40 30 KKEBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccccc1C#N ZINC000408981370 1071536338 /nfs/dbraw/zinc/53/63/38/1071536338.db2.gz AXVGAHOCWNAYOG-UUYOSTAYSA-N 0 2 515.953 5.164 40 30 KKEBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000408981391 1071533545 /nfs/dbraw/zinc/53/35/45/1071533545.db2.gz AUWCZEUWUOPVFA-QRVIBDJDSA-N 0 2 574.431 5.527 40 30 KKEBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)[C@@H]1C=CC=C[C@H]1OS(=O)(=O)c1ccccc1 ZINC000408736906 1071554613 /nfs/dbraw/zinc/55/46/13/1071554613.db2.gz CLYWVOZQHPKRBI-VSGBNLITSA-N 0 2 594.693 5.734 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408993383 1071565549 /nfs/dbraw/zinc/56/55/49/1071565549.db2.gz WJWJTZIHFSFHFA-ONUIUJJFSA-N 0 2 555.587 5.530 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000408992486 1071571691 /nfs/dbraw/zinc/57/16/91/1071571691.db2.gz SXNYUIZXGAXOBJ-XKZIYDEJSA-N 0 2 551.426 6.284 40 30 KKEBLN CCCCCCCO[C@@H]1C=CC=C[C@@H]1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000408737463 1071614258 /nfs/dbraw/zinc/61/42/58/1071614258.db2.gz RDQGWXOUAKIKMK-URLMMPGGSA-N 0 2 552.719 7.316 40 30 KKEBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000408756622 1071637753 /nfs/dbraw/zinc/63/77/53/1071637753.db2.gz SWEBUCHUBVRYSK-KEBDBYFISA-N 0 2 672.273 5.488 40 30 KKEBLN O=C1NC(=Nc2ccc(I)cc2)S/C1=C/c1cc(Br)c(O)c(Br)c1 ZINC000408755207 1071647287 /nfs/dbraw/zinc/64/72/87/1071647287.db2.gz ZLANHMQLVMUJMH-NTUHNPAUSA-N 0 2 580.039 5.413 40 30 KKEBLN Cc1cc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3C#N)C2=O)ccc1Br ZINC000408755060 1071648368 /nfs/dbraw/zinc/64/83/68/1071648368.db2.gz TWOMHQYHZZRCGP-CIAFOILYSA-N 0 2 595.247 5.637 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OCC)c1OCc1ccc2ccccc2c1 ZINC000408754625 1071651664 /nfs/dbraw/zinc/65/16/64/1071651664.db2.gz NZUHBIRWMJCRDF-MTDXEUNCSA-N 0 2 625.519 7.283 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408753985 1071654532 /nfs/dbraw/zinc/65/45/32/1071654532.db2.gz OZOJDYPQGOJSRP-LPYMAVHISA-N 0 2 655.299 6.402 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408753060 1071660421 /nfs/dbraw/zinc/66/04/21/1071660421.db2.gz HKQSJRXSRVAWOY-LPYMAVHISA-N 0 2 644.349 7.437 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OCC)c1OCc1ccccc1C#N ZINC000408760833 1071695107 /nfs/dbraw/zinc/69/51/07/1071695107.db2.gz GJBUWTPQKPKUQH-MFKUBSTISA-N 0 2 600.469 6.002 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408762795 1071735022 /nfs/dbraw/zinc/73/50/22/1071735022.db2.gz MFIAMOAXCFEJAU-FYJGNVAPSA-N 0 2 628.292 6.633 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408777065 1071746487 /nfs/dbraw/zinc/74/64/87/1071746487.db2.gz ULWSMSPPSTXHSG-OEAKJJBVSA-N 0 2 579.878 6.693 40 30 KKEBLN C=CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1OCC ZINC000408776196 1071751493 /nfs/dbraw/zinc/75/14/93/1071751493.db2.gz VDBKRDCGSPURQT-RIYZIHGNSA-N 0 2 573.749 5.751 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000408776057 1071751814 /nfs/dbraw/zinc/75/18/14/1071751814.db2.gz SYGGPRIJKQBYRO-PCLIKHOPSA-N 0 2 531.008 6.021 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408774155 1071763390 /nfs/dbraw/zinc/76/33/90/1071763390.db2.gz BMPCHSJUDDTZFE-LPYMAVHISA-N 0 2 586.269 6.730 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OCC)c1OCc1cccc(C)c1 ZINC000408774182 1071763531 /nfs/dbraw/zinc/76/35/31/1071763531.db2.gz AUNTUSFTEKFGLF-YZSQISJMSA-N 0 2 510.590 5.676 40 30 KKEBLN C=CCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1Br ZINC000408767461 1071809817 /nfs/dbraw/zinc/80/98/17/1071809817.db2.gz XYABVLNIGHDLAP-ZSOIEALJSA-N 0 2 599.073 5.514 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OCC)c1OCc1ccc2ccccc2c1 ZINC000408782467 1071811288 /nfs/dbraw/zinc/81/12/88/1071811288.db2.gz IVMWPCXXYBCTER-VUTHCHCSSA-N 0 2 546.623 6.521 40 30 KKEBLN C=CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1Br ZINC000409045509 1071824389 /nfs/dbraw/zinc/82/43/89/1071824389.db2.gz YWEOOZSEVZDYNK-VGOFMYFVSA-N 0 2 554.622 5.405 40 30 KKEBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000408780395 1071824867 /nfs/dbraw/zinc/82/48/67/1071824867.db2.gz BVVZIELQWMHBCX-STBIYBPSSA-N 0 2 530.584 5.520 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OCc1ccc(I)cc1 ZINC000408778938 1071833308 /nfs/dbraw/zinc/83/33/08/1071833308.db2.gz ZUQPHYFRVXNGCF-MFKUBSTISA-N 0 2 622.459 5.891 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408777945 1071840726 /nfs/dbraw/zinc/84/07/26/1071840726.db2.gz MSSSTQIYJYICDK-LFVJCYFKSA-N 0 2 531.406 5.731 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408777755 1071841311 /nfs/dbraw/zinc/84/13/11/1071841311.db2.gz HUPVJJHDCOIAER-HZHRSRAPSA-N 0 2 507.373 5.967 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000408786516 1071849794 /nfs/dbraw/zinc/84/97/94/1071849794.db2.gz RVKBKZQYDUJOHO-OEAKJJBVSA-N 0 2 537.399 5.976 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000408786419 1071850906 /nfs/dbraw/zinc/85/09/06/1071850906.db2.gz JOWVAFDWKISPDZ-WGOQTCKBSA-N 0 2 510.590 5.594 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000408784869 1071859861 /nfs/dbraw/zinc/85/98/61/1071859861.db2.gz URKSTSUFQUOXMN-BUVRLJJBSA-N 0 2 531.008 5.939 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 ZINC000408783492 1071870523 /nfs/dbraw/zinc/87/05/23/1071870523.db2.gz PSTWZKZFVINULO-SRZZPIQSSA-N 0 2 595.833 5.805 40 30 KKEBLN N#Cc1ccccc1COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408784181 1071865275 /nfs/dbraw/zinc/86/52/75/1071865275.db2.gz UDLGDDMXBUHSCO-CIAFOILYSA-N 0 2 536.769 5.220 40 30 KKEBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000408791057 1071892271 /nfs/dbraw/zinc/89/22/71/1071892271.db2.gz VJOAZYQRFSXAQK-WSDLNYQXSA-N 0 2 560.404 5.273 40 30 KKEBLN C=CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC ZINC000408806762 1071902043 /nfs/dbraw/zinc/90/20/43/1071902043.db2.gz BRXSYHSZCFZDLV-RIYZIHGNSA-N 0 2 587.197 5.228 40 30 KKEBLN O=c1c2ccccc2nc(-c2cccc(C(F)(F)F)c2)n1N=Cc1cc(Br)c(O)c(Br)c1 ZINC000409289033 1071918723 /nfs/dbraw/zinc/91/87/23/1071918723.db2.gz KOUUGFLYTARFKI-UHFFFAOYSA-N 0 2 567.159 6.195 40 30 KKEBLN O=C1CCCC2=C1C(c1cc(Br)c(O)c(Br)c1)C1=C(CCCC1=O)N2CCc1ccccc1 ZINC000409050026 1071959960 /nfs/dbraw/zinc/95/99/60/1071959960.db2.gz SBJCFICBIHWFQI-UHFFFAOYSA-N 0 2 571.309 6.573 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000409066408 1071994853 /nfs/dbraw/zinc/99/48/53/1071994853.db2.gz MZXZQUIKVFXYMF-MTDXEUNCSA-N 0 2 548.595 5.831 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000409066884 1072000232 /nfs/dbraw/zinc/00/02/32/1072000232.db2.gz CYRBKPVDZKTMOJ-JVWAILMASA-N 0 2 563.566 5.731 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000409065745 1072008017 /nfs/dbraw/zinc/00/80/17/1072008017.db2.gz MRQUUDDJRZJDNG-ZVHZXABRSA-N 0 2 561.978 5.621 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000409065566 1072008969 /nfs/dbraw/zinc/00/89/69/1072008969.db2.gz JJQVKMVQCIMPDD-OGLMXYFKSA-N 0 2 581.068 7.174 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409076284 1072051707 /nfs/dbraw/zinc/05/17/07/1072051707.db2.gz ALIXWGNFLALSOF-WPWMEQJKSA-N 0 2 673.600 7.388 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OCC)c1OCC ZINC000409074317 1072068731 /nfs/dbraw/zinc/06/87/31/1072068731.db2.gz ZARVPIODWIIALM-NLRVBDNBSA-N 0 2 526.589 5.458 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000409073750 1072073211 /nfs/dbraw/zinc/07/32/11/1072073211.db2.gz IGYZYIFPONFNCO-HZHRSRAPSA-N 0 2 532.980 5.418 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000409073109 1072077508 /nfs/dbraw/zinc/07/75/08/1072077508.db2.gz XHQKQRZHAKNCHK-YDZHTSKRSA-N 0 2 520.944 5.462 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409072989 1072079037 /nfs/dbraw/zinc/07/90/37/1072079037.db2.gz WPRVTXALYLZKHV-BUVRLJJBSA-N 0 2 561.978 5.621 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409072664 1072080929 /nfs/dbraw/zinc/08/09/29/1072080929.db2.gz KFWJMPPVNXUMDE-HYARGMPZSA-N 0 2 551.426 6.284 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000409072049 1072084504 /nfs/dbraw/zinc/08/45/04/1072084504.db2.gz ALHDFTARQXVJIQ-CIAFOILYSA-N 0 2 555.389 6.115 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccccc1 ZINC000409072031 1072086249 /nfs/dbraw/zinc/08/62/49/1072086249.db2.gz AGSGKFAULJAZKE-KGENOOAVSA-N 0 2 601.464 5.555 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409071637 1072087761 /nfs/dbraw/zinc/08/77/61/1072087761.db2.gz KTEMXVRBUIILJA-OEAKJJBVSA-N 0 2 547.951 5.231 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OC)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409071542 1072088788 /nfs/dbraw/zinc/08/87/88/1072088788.db2.gz HAXCDRFGAUZENY-TWKHWXDSSA-N 0 2 638.698 5.745 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409070617 1072093655 /nfs/dbraw/zinc/09/36/55/1072093655.db2.gz CUHOCZONCIWWSH-WSDLNYQXSA-N 0 2 582.396 5.884 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000409069672 1072101389 /nfs/dbraw/zinc/10/13/89/1072101389.db2.gz WVXQUPUSOAKKAM-NDZAJKAJSA-N 0 2 653.529 7.011 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409069417 1072102081 /nfs/dbraw/zinc/10/20/81/1072102081.db2.gz XPTYJXJCQSWUIT-LFVJCYFKSA-N 0 2 581.046 5.210 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000409069129 1072104913 /nfs/dbraw/zinc/10/49/13/1072104913.db2.gz CCCWPFUSZLNNCV-BUVRLJJBSA-N 0 2 545.523 5.107 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000409068742 1072108771 /nfs/dbraw/zinc/10/87/71/1072108771.db2.gz STIGZDIQVSGREF-ZVHZXABRSA-N 0 2 551.426 6.366 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409068654 1072110731 /nfs/dbraw/zinc/11/07/31/1072110731.db2.gz HMXIRIULWMWKRH-FYJGNVAPSA-N 0 2 635.909 6.208 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409067938 1072115713 /nfs/dbraw/zinc/11/57/13/1072115713.db2.gz RLTMHSXVGZNSBR-XQNSMLJCSA-N 0 2 531.008 6.021 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc(OC)c1OCc1cccc(F)c1 ZINC000409079537 1072132773 /nfs/dbraw/zinc/13/27/73/1072132773.db2.gz KUIWZWOWOCUMGH-PCLIKHOPSA-N 0 2 530.552 5.207 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409082694 1072210522 /nfs/dbraw/zinc/21/05/22/1072210522.db2.gz QTANPOLPYKPCPY-RGVLZGJSSA-N 0 2 578.921 5.352 40 30 KKEBLN CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cc(Br)c(O)c(I)c3)c2C(=O)Nc2ccccc2)C1 ZINC000409081594 1072221658 /nfs/dbraw/zinc/22/16/58/1072221658.db2.gz QDLYUXYUKFAUNH-RNWQJLHQSA-N 0 2 637.381 7.975 40 30 KKEBLN CCc1nnc(C2=C(O)C(=Cc3ccc(OCc4cc(OC)ccc4OC)c(OC)c3)SC2=N)s1 ZINC000409337341 1072495032 /nfs/dbraw/zinc/49/50/32/1072495032.db2.gz UDDJCNZTXGNERD-CPRPDSFRSA-N 0 2 511.625 5.123 40 30 KKEBLN Cc1cc(C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c(C)n1-c1oc(C)c(C)c1C#N ZINC000409373120 1072642965 /nfs/dbraw/zinc/64/29/65/1072642965.db2.gz PYYUFGHKVDVCQD-UHFFFAOYSA-N 0 2 572.669 7.164 40 30 KKEBLN FC(F)(F)c1ccccc1-c1ccc(C=N[N-]c2nc(Nc3ccccc3)nc(N3CCCCC3)[nH+]2)o1 ZINC000409195525 1072836712 /nfs/dbraw/zinc/83/67/12/1072836712.db2.gz QMQKRSMTIXLYGQ-OCSSWDANSA-N 0 2 507.520 5.752 40 30 KKEBLN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O)c(Br)c1 ZINC001531317765 1073092852 /nfs/dbraw/zinc/09/28/52/1073092852.db2.gz SFDJUXSSERPQIT-LSFURLLWSA-N 0 2 544.041 5.224 40 30 KKEBLN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)N[C@H](Cc2ccccc2)c2n[nH]c(=O)[nH]2)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547139071 1073184157 /nfs/dbraw/zinc/18/41/57/1073184157.db2.gz DKBSTBSSKJPASL-BBSPHRLSSA-N 0 2 719.216 5.912 40 30 KKEBLN COc1cc(C(c2c(C)[nH]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OCC#N ZINC000409270232 1073271835 /nfs/dbraw/zinc/27/18/35/1073271835.db2.gz GOKZOKCMSLXUFA-UHFFFAOYSA-N 0 2 521.577 5.177 40 30 KKEBLN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=NO)c2cc(S(=O)(=O)Nc4ccc(C)cc4C)ccc2-3)c(C)c1 ZINC000000843840 551547693 /nfs/dbraw/zinc/54/76/93/551547693.db2.gz VCFUFHLCWXGKAJ-UHFFFAOYSA-N 0 2 561.685 5.729 40 30 KKEBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000002589650 552132095 /nfs/dbraw/zinc/13/20/95/552132095.db2.gz MUGGXVRZRCLBQV-UDWIEESQSA-N 0 2 563.477 5.848 40 30 KKEBLN O=C(C[C@H]1S/C(=N/N=C/C=C/c2ccccc2)N(c2ccc(O)cc2)C1=O)Nc1ccc(Br)cc1 ZINC000002711400 552160958 /nfs/dbraw/zinc/16/09/58/552160958.db2.gz XGUHMSQCOPCGTA-NARVGCKLSA-N 0 2 549.450 5.687 40 30 KKEBLN Cc1ccc(/N=C2/SC(CC(=O)Nc3ccc(Br)cc3)C(=O)N2C[C@H]2CCCO2)cc1C ZINC000003372443 552375566 /nfs/dbraw/zinc/37/55/66/552375566.db2.gz WKCPRQQFUIUTHF-XXGHUFLESA-N 0 2 516.461 5.205 40 30 KKEBLN Cc1ccc(/N=C2/S[C@@H](CC(=O)Nc3ccc(Br)cc3)C(=O)N2C[C@H]2CCCO2)cc1C ZINC000003372443 552375567 /nfs/dbraw/zinc/37/55/67/552375567.db2.gz WKCPRQQFUIUTHF-XXGHUFLESA-N 0 2 516.461 5.205 40 30 KKEBLN CCOc1ccc(/N=C2/SC(CC(=O)Nc3cccc4ccccc43)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000012616432 553402710 /nfs/dbraw/zinc/40/27/10/553402710.db2.gz CLBCQJMOECOEBO-XQIUFIPOSA-N 0 2 503.624 5.378 40 30 KKEBLN CCOc1ccc(/N=C2/S[C@@H](CC(=O)Nc3cccc4ccccc43)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000012616432 553402712 /nfs/dbraw/zinc/40/27/12/553402712.db2.gz CLBCQJMOECOEBO-XQIUFIPOSA-N 0 2 503.624 5.378 40 30 KKEBLN CCOc1ccccc1/N=C1/SC(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1[C@H](C)C(C)C ZINC000015911816 553541499 /nfs/dbraw/zinc/54/14/99/553541499.db2.gz YTQQSZLODSIQIQ-DLNXVFGHSA-N 0 2 519.023 5.652 40 30 KKEBLN CCOc1ccccc1/N=C1/S[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1[C@H](C)C(C)C ZINC000015911816 553541500 /nfs/dbraw/zinc/54/15/00/553541500.db2.gz YTQQSZLODSIQIQ-DLNXVFGHSA-N 0 2 519.023 5.652 40 30 KKEBLN O=C(CC1S/C(=N\c2ccc(OC(F)F)cc2)N(C[C@H]2CCCO2)C1=O)Nc1ccc(Cl)cc1 ZINC000015913083 553541859 /nfs/dbraw/zinc/54/18/59/553541859.db2.gz SPUOMORIGMEDHS-GGOXRCAMSA-N 0 2 509.962 5.081 40 30 KKEBLN O=C(C[C@@H]1S/C(=N\c2ccc(OC(F)F)cc2)N(C[C@H]2CCCO2)C1=O)Nc1ccc(Cl)cc1 ZINC000015913083 553541862 /nfs/dbraw/zinc/54/18/62/553541862.db2.gz SPUOMORIGMEDHS-GGOXRCAMSA-N 0 2 509.962 5.081 40 30 KKEBLN O=[N+]([O-])c1cc(Cc2ccccc2Cl)cc(/C=N/c2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)c1O ZINC000016450157 553565148 /nfs/dbraw/zinc/56/51/48/553565148.db2.gz LCHKMFTVWAQPOK-FJEPWZHXSA-N 0 2 517.372 7.492 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N/N=C/C(C)=C/c3ccccc3)N(Cc3ccco3)C2=O)cc1 ZINC000016779524 553581922 /nfs/dbraw/zinc/58/19/22/553581922.db2.gz HLNFIDYRCQTQKG-GPLKDKMNSA-N 0 2 502.596 5.206 40 30 KKEBLN COc1ccc(OC)c(NC(=O)CC2S/C(=N/c3ccc(F)cc3)N(CCC3=CCCCC3)C2=O)c1 ZINC000017919744 553600603 /nfs/dbraw/zinc/60/06/03/553600603.db2.gz MVPKXYGNXZGEIT-ROBQPBDMSA-N 0 2 511.619 5.694 40 30 KKEBLN COc1ccc(OC)c(NC(=O)C[C@@H]2S/C(=N/c3ccc(F)cc3)N(CCC3=CCCCC3)C2=O)c1 ZINC000017919744 553600610 /nfs/dbraw/zinc/60/06/10/553600610.db2.gz MVPKXYGNXZGEIT-ROBQPBDMSA-N 0 2 511.619 5.694 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3ccc(Cl)cc3)C(=O)N2Cc2ccccc2)cc1 ZINC000020168745 553601345 /nfs/dbraw/zinc/60/13/45/553601345.db2.gz UGLXGBQQOIHITG-JVEWKGNHSA-N 0 2 522.026 5.677 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@H](CC(=O)Nc3ccc(Cl)cc3)C(=O)N2Cc2ccccc2)cc1 ZINC000020168745 553601348 /nfs/dbraw/zinc/60/13/48/553601348.db2.gz UGLXGBQQOIHITG-JVEWKGNHSA-N 0 2 522.026 5.677 40 30 KKEBLN COc1ccc(/N=C2\SC(CC(=O)Nc3ccccc3Cl)C(=O)N2Cc2ccccc2Cl)cc1 ZINC000020248029 553628763 /nfs/dbraw/zinc/62/87/63/553628763.db2.gz QCLWYYUXTFZAQU-AOKXBXCXSA-N 0 2 514.434 6.163 40 30 KKEBLN COc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccccc3Cl)C(=O)N2Cc2ccccc2Cl)cc1 ZINC000020248029 553628768 /nfs/dbraw/zinc/62/87/68/553628768.db2.gz QCLWYYUXTFZAQU-AOKXBXCXSA-N 0 2 514.434 6.163 40 30 KKEBLN CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cc5ccccc5)cc([N+](=O)[O-])c4O)cc3)nc2c1 ZINC000022829618 553754379 /nfs/dbraw/zinc/75/43/79/553754379.db2.gz DCOWHQMIPFAPCA-BKWZTHLVSA-N 0 2 505.574 7.964 40 30 KKEBLN Cc1c(/N=C2\S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2[C@H]2CCCC[C@H]2C)c(=O)n(-c2ccccc2)n1C ZINC000029503377 553846668 /nfs/dbraw/zinc/84/66/68/553846668.db2.gz OHYOFOSSPAQIJU-GLSWLNOMSA-N 0 2 581.742 6.177 40 30 KKEBLN Cc1c(/N=C2\SC(CC(=O)Nc3ccc4ccccc4c3)C(=O)N2[C@H]2CCCC[C@H]2C)c(=O)n(-c2ccccc2)n1C ZINC000029503377 553846664 /nfs/dbraw/zinc/84/66/64/553846664.db2.gz OHYOFOSSPAQIJU-GLSWLNOMSA-N 0 2 581.742 6.177 40 30 KKEBLN C=CCc1ccc(OCCn2cc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)c(OC)c1 ZINC000097965022 553902551 /nfs/dbraw/zinc/90/25/51/553902551.db2.gz VNNAYYWEUPWXRJ-BWAHOGKJSA-N 0 2 539.563 6.103 40 30 KKEBLN Cc1ccc(C)c(/N=C2/SC(CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2CCc2ccc(Cl)cc2Cl)c1 ZINC000097982015 553998906 /nfs/dbraw/zinc/99/89/06/553998906.db2.gz CEJXVVIUBTYDKC-CBGLEEMUSA-N 0 2 594.486 7.832 40 30 KKEBLN Cc1ccc(C)c(/N=C2/S[C@@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2CCc2ccc(Cl)cc2Cl)c1 ZINC000097982015 553998908 /nfs/dbraw/zinc/99/89/08/553998908.db2.gz CEJXVVIUBTYDKC-CBGLEEMUSA-N 0 2 594.486 7.832 40 30 KKEBLN COc1cc([N+](=O)[O-])ccc1NC(=O)CC1S/C(=N/c2ccc(OC(F)F)cc2)N(C2CCCC2)C1=O ZINC000097982036 553999122 /nfs/dbraw/zinc/99/91/22/553999122.db2.gz HYRVYJRQIPPWDU-PZHAEXOUSA-N 0 2 534.541 5.108 40 30 KKEBLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@H]1S/C(=N/c2ccc(OC(F)F)cc2)N(C2CCCC2)C1=O ZINC000097982036 553999124 /nfs/dbraw/zinc/99/91/24/553999124.db2.gz HYRVYJRQIPPWDU-PZHAEXOUSA-N 0 2 534.541 5.108 40 30 KKEBLN O=C(CC1S/C(=N\c2ccccc2)N(Cc2ccc(F)cc2)C1=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000097982021 553999288 /nfs/dbraw/zinc/99/92/88/553999288.db2.gz CNRAMKJACNPTSW-KUEVPICXSA-N 0 2 535.950 6.658 40 30 KKEBLN O=C(C[C@@H]1S/C(=N\c2ccccc2)N(Cc2ccc(F)cc2)C1=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000097982021 553999291 /nfs/dbraw/zinc/99/92/91/553999291.db2.gz CNRAMKJACNPTSW-KUEVPICXSA-N 0 2 535.950 6.658 40 30 KKEBLN Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1c(C#N)sc2c1CCCC2 ZINC000100275136 554271676 /nfs/dbraw/zinc/27/16/76/554271676.db2.gz UOUQTRQILUPWCR-ZDLGFXPLSA-N 0 2 539.444 5.879 40 30 KKEBLN C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1cccc(F)c1 ZINC000059105203 554380368 /nfs/dbraw/zinc/38/03/68/554380368.db2.gz OTQSOHSAXNCPLX-LPYMAVHISA-N 0 2 500.482 5.369 40 30 KKEBLN C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000059135033 554381079 /nfs/dbraw/zinc/38/10/79/554381079.db2.gz CILMUJLRWVHZLJ-LFVJCYFKSA-N 0 2 500.526 5.403 40 30 KKEBLN C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000059135532 554381530 /nfs/dbraw/zinc/38/15/30/554381530.db2.gz YFEYVRAWICYVQI-HZHRSRAPSA-N 0 2 501.470 5.548 40 30 KKEBLN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(/N=C/c2cc(Cc3ccccc3Cl)cc([N+](=O)[O-])c2O)cc1 ZINC000100936360 554530435 /nfs/dbraw/zinc/53/04/35/554530435.db2.gz YLIKMAGBDQWYFS-MHDJOFBISA-N 0 2 553.924 7.566 40 30 KKEBLN O=[N+]([O-])c1cc(Cc2ccccc2Cl)cc(/C=N/c2ccc3oc(-c4cccc5c(Br)cccc45)nc3c2)c1O ZINC000100958270 554541158 /nfs/dbraw/zinc/54/11/58/554541158.db2.gz YWADPSDQTYSPGX-KVAAJVFYSA-N 0 2 612.867 9.019 40 30 KKEBLN Cc1ccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3ccc(Cl)s3)N(C3CCCCC3)C2=O)cc1 ZINC000101043103 554567959 /nfs/dbraw/zinc/56/79/59/554567959.db2.gz TXUAVKLOCXOMSD-RXYYWTOOSA-N 0 2 526.105 5.060 40 30 KKEBLN COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@H]3[C@@]4(C)CCC(=NOC(=O)C[C@@H]5SC(=O)NC5=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000101262641 554697630 /nfs/dbraw/zinc/69/76/30/554697630.db2.gz NAXBQOBKRFCYKY-NVGOCUESSA-N 0 2 640.887 7.602 40 30 KKEBLN COc1ccc(OC)c(NC(=O)CC2S/C(=N\c3ccc(F)cc3)N(CCC3=CCCCC3)C2=O)c1 ZINC000101473809 554781934 /nfs/dbraw/zinc/78/19/34/554781934.db2.gz MVPKXYGNXZGEIT-HZVWYJMBSA-N 0 2 511.619 5.694 40 30 KKEBLN COc1ccc(OC)c(NC(=O)C[C@@H]2S/C(=N\c3ccc(F)cc3)N(CCC3=CCCCC3)C2=O)c1 ZINC000101473809 554781937 /nfs/dbraw/zinc/78/19/37/554781937.db2.gz MVPKXYGNXZGEIT-HZVWYJMBSA-N 0 2 511.619 5.694 40 30 KKEBLN COc1cc([N+](=O)[O-])ccc1NC(=O)CC1S/C(=N\c2ccc(F)cc2)N(CCC2=CCCCC2)C1=O ZINC000101487963 554785599 /nfs/dbraw/zinc/78/55/99/554785599.db2.gz IBDSTXCUTXVBOG-WNMDNWPKSA-N 0 2 526.590 5.593 40 30 KKEBLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@H]1S/C(=N\c2ccc(F)cc2)N(CCC2=CCCCC2)C1=O ZINC000101487963 554785601 /nfs/dbraw/zinc/78/56/01/554785601.db2.gz IBDSTXCUTXVBOG-WNMDNWPKSA-N 0 2 526.590 5.593 40 30 KKEBLN CCOC(=O)c1ccc(NC(=O)CC2S/C(=N/c3ccc(OC)cc3)N(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000101600445 554803933 /nfs/dbraw/zinc/80/39/33/554803933.db2.gz GSHSRSCWYFQGHG-OGDSKJGMSA-N 0 2 547.633 5.041 40 30 KKEBLN CCOC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(OC)cc3)N(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000101600445 554803935 /nfs/dbraw/zinc/80/39/35/554803935.db2.gz GSHSRSCWYFQGHG-OGDSKJGMSA-N 0 2 547.633 5.041 40 30 KKEBLN CCCOc1ccc(NC(=O)CC2S/C(=N/c3ccc(OC)cc3)N(Cc3cccs3)C2=O)cc1 ZINC000101614258 554805922 /nfs/dbraw/zinc/80/59/22/554805922.db2.gz ZVXOCQLVGZPGRX-GYRUEZOASA-N 0 2 509.653 5.706 40 30 KKEBLN CCCOc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(OC)cc3)N(Cc3cccs3)C2=O)cc1 ZINC000101614258 554805925 /nfs/dbraw/zinc/80/59/25/554805925.db2.gz ZVXOCQLVGZPGRX-GYRUEZOASA-N 0 2 509.653 5.706 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3cccc(OCC)c3)C(=O)N2Cc2cccs2)cc1 ZINC000102405990 554920901 /nfs/dbraw/zinc/92/09/01/554920901.db2.gz MOXZYHCGXGRYJD-GDHFJQHYSA-N 0 2 537.663 5.484 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@@H](CC(=O)Nc3cccc(OCC)c3)C(=O)N2Cc2cccs2)cc1 ZINC000102405990 554920903 /nfs/dbraw/zinc/92/09/03/554920903.db2.gz MOXZYHCGXGRYJD-GDHFJQHYSA-N 0 2 537.663 5.484 40 30 KKEBLN CCCOc1ccc(NC(=O)CC2S/C(=N\c3ccc(Cl)cc3)N(C(c3ccccc3)c3ccccc3)C2=O)cc1 ZINC000102406357 554921136 /nfs/dbraw/zinc/92/11/36/554921136.db2.gz OZXPKLHOUIUIKF-KFWXRUQJSA-N 0 2 584.141 7.879 40 30 KKEBLN CCCOc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccc(Cl)cc3)N(C(c3ccccc3)c3ccccc3)C2=O)cc1 ZINC000102406357 554921138 /nfs/dbraw/zinc/92/11/38/554921138.db2.gz OZXPKLHOUIUIKF-KFWXRUQJSA-N 0 2 584.141 7.879 40 30 KKEBLN O=C(C[C@@H]1S/C(=N\c2cccc(C(F)(F)F)c2)N(Cc2ccc3c(c2)OCO3)C1=O)NCCc1ccccc1 ZINC000102406511 554921145 /nfs/dbraw/zinc/92/11/45/554921145.db2.gz AHLNVCPBBCPLRU-LMQTZDNFSA-N 0 2 555.578 5.315 40 30 KKEBLN O=C(CC1S/C(=N\c2cccc(C(F)(F)F)c2)N(Cc2ccc3c(c2)OCO3)C1=O)NCCc1ccccc1 ZINC000102406511 554921147 /nfs/dbraw/zinc/92/11/47/554921147.db2.gz AHLNVCPBBCPLRU-LMQTZDNFSA-N 0 2 555.578 5.315 40 30 KKEBLN CCOC(=O)c1ccc(NC(=O)CC2S/C(=N\c3ccc(C(F)(F)F)cc3)N(Cc3ccccc3)C2=O)cc1 ZINC000102408057 554922554 /nfs/dbraw/zinc/92/25/54/554922554.db2.gz KAHKIBSQEUVLNM-SXKCLOSDSA-N 0 2 555.578 6.043 40 30 KKEBLN CCOC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccc(C(F)(F)F)cc3)N(Cc3ccccc3)C2=O)cc1 ZINC000102408057 554922555 /nfs/dbraw/zinc/92/25/55/554922555.db2.gz KAHKIBSQEUVLNM-SXKCLOSDSA-N 0 2 555.578 6.043 40 30 KKEBLN Cc1c(/N=C2\SC(CC(=O)Nc3ccc(F)cc3)C(=O)N2CC2CCCCC2)c(=O)n(-c2ccccc2)n1C ZINC000102928141 555153460 /nfs/dbraw/zinc/15/34/60/555153460.db2.gz JXQYTTHZNRCPGB-YYPLBKOFSA-N 0 2 549.672 5.164 40 30 KKEBLN Cc1c(/N=C2\S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CC2CCCCC2)c(=O)n(-c2ccccc2)n1C ZINC000102928141 555153464 /nfs/dbraw/zinc/15/34/64/555153464.db2.gz JXQYTTHZNRCPGB-YYPLBKOFSA-N 0 2 549.672 5.164 40 30 KKEBLN Cc1cccc(C)c1NC(=O)CC1S/C(=N\c2ccc(Cl)c(Cl)c2)N(Cc2ccccn2)C1=O ZINC000102961101 555176359 /nfs/dbraw/zinc/17/63/59/555176359.db2.gz DOKWANJDTFUTMZ-ZKLRHWBXSA-N 0 2 513.450 6.166 40 30 KKEBLN Cc1cccc(C)c1NC(=O)C[C@H]1S/C(=N\c2ccc(Cl)c(Cl)c2)N(Cc2ccccn2)C1=O ZINC000102961101 555176363 /nfs/dbraw/zinc/17/63/63/555176363.db2.gz DOKWANJDTFUTMZ-ZKLRHWBXSA-N 0 2 513.450 6.166 40 30 KKEBLN Cc1ccccc1/N=C1/SC(CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000102961003 555176384 /nfs/dbraw/zinc/17/63/84/555176384.db2.gz DLGPUDZNSOQOLI-YEPMHUSLSA-N 0 2 509.534 5.162 40 30 KKEBLN Cc1ccccc1/N=C1/S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000102961003 555176388 /nfs/dbraw/zinc/17/63/88/555176388.db2.gz DLGPUDZNSOQOLI-YEPMHUSLSA-N 0 2 509.534 5.162 40 30 KKEBLN Cc1c(Cl)cccc1NC(=O)CC1S/C(=N/c2cccc3ccccc32)N(C[C@@H]2CCCO2)C1=O ZINC000102961341 555176784 /nfs/dbraw/zinc/17/67/84/555176784.db2.gz PERCQBCSDLQIGM-SALHBKMUSA-N 0 2 508.043 5.941 40 30 KKEBLN Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N/c2cccc3ccccc32)N(C[C@@H]2CCCO2)C1=O ZINC000102961341 555176786 /nfs/dbraw/zinc/17/67/86/555176786.db2.gz PERCQBCSDLQIGM-SALHBKMUSA-N 0 2 508.043 5.941 40 30 KKEBLN CCOc1ccccc1/N=C1\SC(CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000102961523 555177263 /nfs/dbraw/zinc/17/72/63/555177263.db2.gz CREAZIMLOXVTHB-IOYDYCAWSA-N 0 2 538.025 5.628 40 30 KKEBLN CCOc1ccccc1/N=C1\S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000102961523 555177264 /nfs/dbraw/zinc/17/72/64/555177264.db2.gz CREAZIMLOXVTHB-IOYDYCAWSA-N 0 2 538.025 5.628 40 30 KKEBLN CCOc1ccccc1/N=C1\SC(CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1[C@@H](C)CCC(C)C ZINC000102961498 555177275 /nfs/dbraw/zinc/17/72/75/555177275.db2.gz ONMJSXAPMVKMLL-ZUCRFQITSA-N 0 2 535.632 6.889 40 30 KKEBLN CCOc1ccccc1/N=C1\S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1[C@@H](C)CCC(C)C ZINC000102961498 555177277 /nfs/dbraw/zinc/17/72/77/555177277.db2.gz ONMJSXAPMVKMLL-ZUCRFQITSA-N 0 2 535.632 6.889 40 30 KKEBLN CCOc1ccc(N=C2SC(CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000102961572 555177305 /nfs/dbraw/zinc/17/73/05/555177305.db2.gz SMQYXBRAPJTKSA-NFMXCSJRSA-N 0 2 545.617 5.177 40 30 KKEBLN CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000102961572 555177307 /nfs/dbraw/zinc/17/73/07/555177307.db2.gz SMQYXBRAPJTKSA-NFMXCSJRSA-N 0 2 545.617 5.177 40 30 KKEBLN CC(=O)c1ccc(NC(=O)CC2SC(=Nc3ccc(C)cc3)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000102961701 555177578 /nfs/dbraw/zinc/17/75/78/555177578.db2.gz MZQROWPNGQAVTO-AGZANAATSA-N 0 2 515.591 5.087 40 30 KKEBLN CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000102961701 555177581 /nfs/dbraw/zinc/17/75/81/555177581.db2.gz MZQROWPNGQAVTO-AGZANAATSA-N 0 2 515.591 5.087 40 30 KKEBLN Cc1ccc(C)c(/N=C2\SC(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000102962310 555178431 /nfs/dbraw/zinc/17/84/31/555178431.db2.gz SDJBEXBCXURJTL-LCOFQRJFSA-N 0 2 540.900 6.403 40 30 KKEBLN Cc1ccc(C)c(/N=C2\S[C@@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000102962310 555178435 /nfs/dbraw/zinc/17/84/35/555178435.db2.gz SDJBEXBCXURJTL-LCOFQRJFSA-N 0 2 540.900 6.403 40 30 KKEBLN Cc1cccc(/N=C2\SC(CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2CCc2ccc(Cl)cc2Cl)c1C ZINC000102962451 555178734 /nfs/dbraw/zinc/17/87/34/555178734.db2.gz SJDPWTMZWUBIKN-SLHQUXRVSA-N 0 2 594.486 7.832 40 30 KKEBLN Cc1cccc(/N=C2\S[C@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2CCc2ccc(Cl)cc2Cl)c1C ZINC000102962451 555178737 /nfs/dbraw/zinc/17/87/37/555178737.db2.gz SJDPWTMZWUBIKN-SLHQUXRVSA-N 0 2 594.486 7.832 40 30 KKEBLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N=NCc1sc(Nc2ccccc2)nc1Cl ZINC000102983499 555189194 /nfs/dbraw/zinc/18/91/94/555189194.db2.gz LUWYDUFZWAKZQI-ZVHZXABRSA-N 0 2 529.003 5.695 40 30 KKEBLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2c(C)nn(-c3ccc(F)cc3)c2Cl)cc1 ZINC000102983321 555189240 /nfs/dbraw/zinc/18/92/40/555189240.db2.gz MEFMCRBOJRVSJO-MZJWZYIUSA-N 0 2 558.979 5.137 40 30 KKEBLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=Cc2c(C)nn(-c3ccc(F)cc3)c2Cl)cc1 ZINC000102983321 555189241 /nfs/dbraw/zinc/18/92/41/555189241.db2.gz MEFMCRBOJRVSJO-MZJWZYIUSA-N 0 2 558.979 5.137 40 30 KKEBLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000102983315 555189245 /nfs/dbraw/zinc/18/92/45/555189245.db2.gz WDSBAECZJTYJMA-NDZAJKAJSA-N 0 2 568.615 5.703 40 30 KKEBLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2c[nH]c3ccc(Br)cc23)cc1 ZINC000102983337 555189247 /nfs/dbraw/zinc/18/92/47/555189247.db2.gz KHCYSFURJRSHCJ-DHRITJCHSA-N 0 2 544.387 5.094 40 30 KKEBLN COc1ccccc1NS(=O)(=O)c1ccc(N=NCc2cn(-c3ccccc3)nc2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000102983885 555189642 /nfs/dbraw/zinc/18/96/42/555189642.db2.gz OUORINNMKWZZJJ-NDZAJKAJSA-N 0 2 568.615 5.703 40 30 KKEBLN COc1ccccc1NS(=O)(=O)c1ccc(N=NC(C)c2ccc(OC(F)F)cc2OC(F)F)c([N+](=O)[O-])c1 ZINC000102983875 555189670 /nfs/dbraw/zinc/18/96/70/555189670.db2.gz QASYGLKIOGTULW-XODNFHPESA-N 0 2 572.493 5.443 40 30 KKEBLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1[N-][NH+]=Cc1sc(N2CCCCC2)nc1-c1cccs1 ZINC000102984048 555189874 /nfs/dbraw/zinc/18/98/74/555189874.db2.gz MGTBXAVZUKJWQK-WPWMEQJKSA-N 0 2 598.732 6.026 40 30 KKEBLN O=[N+]([O-])c1ccc(N=NCc2cccc(OCc3ccccc3)c2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000102984255 555190183 /nfs/dbraw/zinc/19/01/83/555190183.db2.gz HUEYCLVPTGRCLO-OGLMXYFKSA-N 0 2 536.997 6.074 40 30 KKEBLN CCOc1ccccc1/N=C1\SC(CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1[C@H](C)CCC(C)C ZINC000102995316 555194971 /nfs/dbraw/zinc/19/49/71/555194971.db2.gz ONMJSXAPMVKMLL-NIIQHJGUSA-N 0 2 535.632 6.889 40 30 KKEBLN CCOc1ccccc1/N=C1\S[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1[C@H](C)CCC(C)C ZINC000102995316 555194973 /nfs/dbraw/zinc/19/49/73/555194973.db2.gz ONMJSXAPMVKMLL-NIIQHJGUSA-N 0 2 535.632 6.889 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N\c3cccc4ccccc43)N(C[C@H]3CCCO3)C2=O)cc1Cl ZINC000103000041 555199740 /nfs/dbraw/zinc/19/97/40/555199740.db2.gz ZZVRZVXKPJVEQO-PWOCMNMFSA-N 0 2 524.042 5.641 40 30 KKEBLN COc1ccc(NC(=O)C[C@@H]2S/C(=N\c3cccc4ccccc43)N(C[C@H]3CCCO3)C2=O)cc1Cl ZINC000103000041 555199743 /nfs/dbraw/zinc/19/97/43/555199743.db2.gz ZZVRZVXKPJVEQO-PWOCMNMFSA-N 0 2 524.042 5.641 40 30 KKEBLN CCOc1ccccc1/N=C1\SC(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C(=O)N1[C@H](C)CCC(C)C ZINC000103001855 555201684 /nfs/dbraw/zinc/20/16/84/555201684.db2.gz TZIIHMJTDLMWJV-PBTODLAYSA-N 0 2 542.658 5.787 40 30 KKEBLN CCOc1ccccc1/N=C1\S[C@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C(=O)N1[C@H](C)CCC(C)C ZINC000103001855 555201685 /nfs/dbraw/zinc/20/16/85/555201685.db2.gz TZIIHMJTDLMWJV-PBTODLAYSA-N 0 2 542.658 5.787 40 30 KKEBLN C=CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OC ZINC000103815068 555482388 /nfs/dbraw/zinc/48/23/88/555482388.db2.gz UTJIBLUDLVGFGV-WYMPLXKRSA-N 0 2 591.502 6.157 40 30 KKEBLN CCC[C@]1(CCc2ccccc2)CC(=O)C([C@@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1 ZINC000100040634 562806316 /nfs/dbraw/zinc/80/63/16/562806316.db2.gz NZPXPXAGXYTROM-QCDSWUKFSA-N 0 2 602.675 7.326 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(OCC)ccc3OCC)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000103845462 571363106 /nfs/dbraw/zinc/36/31/06/571363106.db2.gz VEFNBKSLBRPHKZ-NLRVBDNBSA-N 0 2 570.642 5.857 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OCC)c1OC ZINC000103845915 571363326 /nfs/dbraw/zinc/36/33/26/571363326.db2.gz FOVVWAVTHZUHQD-JFLMPSFJSA-N 0 2 540.660 5.957 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000103850644 571364599 /nfs/dbraw/zinc/36/45/99/571364599.db2.gz DJDKXAIJHVEJPA-OEAKJJBVSA-N 0 2 549.396 5.871 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000103850618 571364664 /nfs/dbraw/zinc/36/46/64/571364664.db2.gz DFPLOUDRJXEVIR-LPYMAVHISA-N 0 2 569.814 6.216 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000103850754 571364752 /nfs/dbraw/zinc/36/47/52/571364752.db2.gz CJCBJKYXLMGGLJ-YDZHTSKRSA-N 0 2 569.416 6.505 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000103850777 571364787 /nfs/dbraw/zinc/36/47/87/571364787.db2.gz YNBMZSMZUXIVMH-BUVRLJJBSA-N 0 2 545.523 5.107 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OCc1ccccc1 ZINC000103858234 571366484 /nfs/dbraw/zinc/36/64/84/571366484.db2.gz JNCQQGYUCJJWOO-HZHRSRAPSA-N 0 2 547.405 5.432 40 30 KKEBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000103858889 571366802 /nfs/dbraw/zinc/36/68/02/571366802.db2.gz IOSMDXPVAZVWOY-KEBDBYFISA-N 0 2 611.246 5.337 40 30 KKEBLN N#Cc1ccccc1COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000103859672 571367272 /nfs/dbraw/zinc/36/72/72/571367272.db2.gz SHLIFYRSTQHLLP-CIAFOILYSA-N 0 2 581.220 5.329 40 30 KKEBLN N=C(/N=C\c1cc(Cl)cc(Cl)c1O)NS(=O)(=O)c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1 ZINC000104191813 571376441 /nfs/dbraw/zinc/37/64/41/571376441.db2.gz UJYUSPFQFLYBFL-OJHJIIBUSA-N 0 2 560.246 5.794 40 30 KKEBLN Cc1[nH]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1[C@H](c1ccc(Br)cc1)C(C#N)C#N ZINC000105573104 571407631 /nfs/dbraw/zinc/40/76/31/571407631.db2.gz RCQDSNVOEROYFD-OAQYLSRUSA-N 0 2 524.831 6.221 40 30 KKEBLN CC[C@@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Cc5ccccc5Cl)cc([N+](=O)[O-])c4O)c3)nc2c1 ZINC000109546460 571429384 /nfs/dbraw/zinc/42/93/84/571429384.db2.gz MLDPMHVCMHDTSA-CEQVMOKUSA-N 0 2 540.019 8.617 40 30 KKEBLN Oc1c(Br)cc(Br)cc1/C=N/N1CCN(/N=C\c2cc(Br)cc(Br)c2O)CC1 ZINC000150376451 571466538 /nfs/dbraw/zinc/46/65/38/571466538.db2.gz WUUBJNQPQURCMI-NFXRTZMGSA-N 0 2 639.968 5.133 40 30 KKEBLN Oc1c(Br)cc(Br)cc1/C=N/c1cccc(/C=N/c2cc(Br)cc(Br)c2O)n1 ZINC000150406562 571479899 /nfs/dbraw/zinc/47/98/99/571479899.db2.gz HBWBHZPCLDGOKV-MROMTGPTSA-N 0 2 632.932 7.044 40 30 KKEBLN COc1ccc(OC)c(NC(=O)CSc2nc3ccc(/N=C/c4cc(I)c(O)c(I)c4)cc3s2)c1 ZINC000150485146 571515743 /nfs/dbraw/zinc/51/57/43/571515743.db2.gz NLWDFBRXFTWYPO-LUOAPIJWSA-N 0 2 731.375 6.710 40 30 KKEBLN CCCCCCCCCCCCCCCCCC[C@@H]1CC(=O)N(c2ccc(Cl)c(Nc3[nH]n(-c4c(Cl)cc(Cl)cc4Cl)c(=O)c3N=Nc3ccc(O)cc3Cl)c2)C1=O ZINC000150560225 571520992 /nfs/dbraw/zinc/52/09/92/571520992.db2.gz MBZDNWOFYBFREC-JUPFXYODSA-N 0 2 893.184 14.115 40 30 KKEBLN Oc1ccc(-c2nc3cc(/N=C/c4cc(I)cc(I)c4O)ccc3o2)cc1Br ZINC000150565983 571521126 /nfs/dbraw/zinc/52/11/26/571521126.db2.gz ZMDBFKMQBIPNOT-PGGKNCGUSA-N 0 2 661.031 6.628 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OC)c1OCc1ccc2c(c1)OCO2 ZINC000164338347 571546010 /nfs/dbraw/zinc/54/60/10/571546010.db2.gz BMAQLNGCDCHNDF-IBBHUPRXSA-N 0 2 646.740 6.866 40 30 KKEBLN N#Cc1ccccc1COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I ZINC000164456818 571548222 /nfs/dbraw/zinc/54/82/22/571548222.db2.gz DZDJCHMHJZZOHM-DJKKODMXSA-N 0 2 754.116 5.775 40 30 KKEBLN O=C(CSc1nc2ccc(N=Cc3cc(Br)c(O)c(Br)c3)cc2s1)Nc1ccc2nc(SCC(=O)c3ccc(Br)cc3)sc2c1 ZINC000164462037 571548227 /nfs/dbraw/zinc/54/82/27/571548227.db2.gz YDYSJHQODPWFMO-JAVXJAORSA-N 0 2 863.498 10.356 40 30 KKEBLN O=C1NC(=O)N(c2ccc(I)cc2)C(=O)C1=CNc1ccc(N=Nc2ccccc2)cc1 ZINC000408529208 572167411 /nfs/dbraw/zinc/16/74/11/572167411.db2.gz CKVPFWWEPPTRFM-YOROTWAESA-N 0 2 537.317 5.308 40 30 KKEBLN Cc1ccc(N=Nc2ccc(NC=C3C(=O)NC(=O)N(c4ccc(I)cc4)C3=O)cc2)cc1 ZINC000408535338 572188244 /nfs/dbraw/zinc/18/82/44/572188244.db2.gz NQHWWOUBWNTEKP-HUWWCRDESA-N 0 2 551.344 5.617 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OCC ZINC000408538926 572199949 /nfs/dbraw/zinc/19/99/49/572199949.db2.gz RMTUHJBYICBJBO-RRAHZORUSA-N 0 2 649.582 7.833 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC ZINC000408538931 572199973 /nfs/dbraw/zinc/19/99/73/572199973.db2.gz RPHDHMQPEAQOSR-QNGOZBTKSA-N 0 2 588.455 6.162 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000408538873 572200037 /nfs/dbraw/zinc/20/00/37/572200037.db2.gz QWLGNSAORMMYMB-DEDYPNTBSA-N 0 2 577.903 6.825 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC ZINC000408539147 572200922 /nfs/dbraw/zinc/20/09/22/572200922.db2.gz UFDGAGMWMVODCE-RCCKNPSSSA-N 0 2 577.903 6.907 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br ZINC000408539113 572201176 /nfs/dbraw/zinc/20/11/76/572201176.db2.gz TTZGGOWNOGQNPO-CPNJWEJPSA-N 0 2 596.291 6.756 40 30 KKEBLN CCCCCCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCCC)c(OC)c3)C2=O)cc1OC ZINC000408539960 572204194 /nfs/dbraw/zinc/20/41/94/572204194.db2.gz KYQBFZYZIJYTMY-NKFKGCMQSA-N 0 2 538.641 5.898 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(OCCC)c(OC)c3)C2=O)cc1Br ZINC000408540073 572204224 /nfs/dbraw/zinc/20/42/24/572204224.db2.gz MQNWGKPYCBRWLV-QNGOZBTKSA-N 0 2 666.407 7.415 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OC ZINC000408540067 572204233 /nfs/dbraw/zinc/20/42/33/572204233.db2.gz MMSQQMAYYTUIJN-RGEXLXHISA-N 0 2 533.452 6.716 40 30 KKEBLN CC1(C)CC[C@]2(C(=O)N3CCOCC3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=NOC(=O)C[C@@H]6SC(=O)NC6=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 ZINC000245229382 572207170 /nfs/dbraw/zinc/20/71/70/572207170.db2.gz WJRJONZDINDKQJ-CCDXVDENSA-N 0 2 695.967 7.288 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(OCCC)c(OC)c3)C2=O)cc1OCC ZINC000408541470 572208975 /nfs/dbraw/zinc/20/89/75/572208975.db2.gz ZPYFUZJQYMZJBS-QJOMJCCJSA-N 0 2 587.113 6.942 40 30 KKEBLN N#Cc1ccccc1COc1c(Cl)cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1Cl ZINC000408565218 572252142 /nfs/dbraw/zinc/25/21/42/572252142.db2.gz IZEPNUGVZFYYME-AFUCOJPPSA-N 0 2 549.414 5.499 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OCc1ccc2c(c1)OCO2 ZINC000408769318 1069875350 /nfs/dbraw/zinc/87/53/50/1069875350.db2.gz QTXKXQXAJUMVJS-WSDLNYQXSA-N 0 2 546.963 5.051 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OCc1ccccc1C#N ZINC000408774541 1069890649 /nfs/dbraw/zinc/89/06/49/1069890649.db2.gz WFYGKYJUSLKQQT-MFKUBSTISA-N 0 2 541.991 5.584 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408779117 1069899980 /nfs/dbraw/zinc/89/99/80/1069899980.db2.gz RNTYAMYEBWCLDI-LPYMAVHISA-N 0 2 569.814 6.216 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408780488 1069903807 /nfs/dbraw/zinc/90/38/07/1069903807.db2.gz CKQZOJLKENABBX-ZVHZXABRSA-N 0 2 624.329 6.802 40 30 KKEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1OCC ZINC000408833110 1070017421 /nfs/dbraw/zinc/01/74/21/1070017421.db2.gz SWYZXCNNUDTOGC-LFVJCYFKSA-N 0 2 532.980 5.549 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000408854570 1070072436 /nfs/dbraw/zinc/07/24/36/1070072436.db2.gz IPBDTAFTXZPEHP-MFKUBSTISA-N 0 2 575.459 6.048 40 30 KKEBLN Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2cc(Br)c(O)c(Br)c2)S1 ZINC000408864211 1070079973 /nfs/dbraw/zinc/07/99/73/1070079973.db2.gz XKPFIFLOMGLJGF-AUWJEWJLSA-N 0 2 502.615 5.771 40 30 KKEBLN CCN1C(=O)/C(=C/c2cc(Br)c(O)c(Br)c2)S/C1=N/c1ccc(N2CCCCC2)cc1 ZINC000408929280 1070255271 /nfs/dbraw/zinc/25/52/71/1070255271.db2.gz UOTDKNCCPBVUEU-URWIEHKQSA-N 0 2 565.331 6.531 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408982087 1070339828 /nfs/dbraw/zinc/33/98/28/1070339828.db2.gz FOEYCEHZAYQXJE-IWIPYMOSSA-N 0 2 563.423 6.125 40 30 KKEBLN C=CCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1CC=C ZINC000408986734 1070348778 /nfs/dbraw/zinc/34/87/78/1070348778.db2.gz DGMPVWBDFDWCHS-WQRHYEAKSA-N 0 2 515.791 5.371 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408988690 1070345539 /nfs/dbraw/zinc/34/55/39/1070345539.db2.gz IWFOTKKLGWTLBU-YSMPRRRNSA-N 0 2 615.911 7.538 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408991014 1070357012 /nfs/dbraw/zinc/35/70/12/1070357012.db2.gz PJIYQEIJOWFDPI-IWIPYMOSSA-N 0 2 590.430 5.894 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000408988899 1070361409 /nfs/dbraw/zinc/36/14/09/1070361409.db2.gz SBHZTDQDUKUPNY-OYKKKHCWSA-N 0 2 609.904 6.784 40 30 KKEBLN CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)c(O)c(Cl)c1 ZINC000409033543 1070423795 /nfs/dbraw/zinc/42/37/95/1070423795.db2.gz FNLYIPUFIGHPQT-UHFFFAOYSA-N 0 2 524.488 7.585 40 30 KKEBLN C#CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000409041578 1070445338 /nfs/dbraw/zinc/44/53/38/1070445338.db2.gz KAVYAZVLAJRCFC-NTUHNPAUSA-N 0 2 573.024 5.197 40 30 KKEBLN O=C1CCCC2=C1C(c1cc(Br)c(O)c(Br)c1)C1=C(CCCC1=O)N2Cc1ccccc1 ZINC000409048499 1070461717 /nfs/dbraw/zinc/46/17/17/1070461717.db2.gz OXLIVZNMVKKYAX-UHFFFAOYSA-N 0 2 557.282 6.531 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1OCc1ccccc1 ZINC000409064153 1070479710 /nfs/dbraw/zinc/47/97/10/1070479710.db2.gz BYLXESRLLLDNBS-FYJGNVAPSA-N 0 2 537.399 5.976 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccccc1 ZINC000409075936 1070490016 /nfs/dbraw/zinc/49/00/16/1070490016.db2.gz VXDUMBUWEWDZMJ-XQNSMLJCSA-N 0 2 611.470 5.010 40 30 KKEBLN COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)c(O)c(Br)c2)cc1C(C)C ZINC000409285056 1070741238 /nfs/dbraw/zinc/74/12/38/1070741238.db2.gz WFIBBRWNOYTIPU-UHFFFAOYSA-N 0 2 585.296 6.617 40 30 KKEBLN N=C1SC(=Cc2ccc(OCc3ccc(Br)cc3)c(Br)c2)C(O)=C1c1nccs1 ZINC000409333962 1070839637 /nfs/dbraw/zinc/83/96/37/1070839637.db2.gz GJBLKGPHFHFWMN-NOLMVZMCSA-N 0 2 550.297 6.665 40 30 KKEBLN N#Cc1ccccc1COc1c(I)cc(I)cc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O ZINC000408903761 1070901988 /nfs/dbraw/zinc/90/19/88/1070901988.db2.gz YNTXYDGFVUSIEZ-KEBDBYFISA-N 0 2 693.210 5.152 40 30 KKEBLN C=CCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(OCCCC)cc3)C2=O)cc1OCC ZINC000408901324 1070923608 /nfs/dbraw/zinc/92/36/08/1070923608.db2.gz XEOYIATXOKDLEI-ZHZULCJRSA-N 0 2 543.414 5.258 40 30 KKEBLN N#Cc1ccccc1COc1c(I)cc(I)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408898902 1070949934 /nfs/dbraw/zinc/94/99/34/1070949934.db2.gz NCZNMZBJYRPZCO-KEBDBYFISA-N 0 2 709.665 5.666 40 30 KKEBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000408915789 1071006685 /nfs/dbraw/zinc/00/66/85/1071006685.db2.gz YOAATXWAWDEKRF-RWPZCVJISA-N 0 2 534.547 5.350 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(OCC)c1OCc1ccc2ccccc2c1 ZINC000408911652 1071060154 /nfs/dbraw/zinc/06/01/54/1071060154.db2.gz BBMWYCFPWYYKCB-OGLMXYFKSA-N 0 2 550.586 6.352 40 30 KKEBLN CCCC[Si]([C@@H]1CCC[C@H](C(F)(F)F)C1)([C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000195766534 1071214755 /nfs/dbraw/zinc/21/47/55/1071214755.db2.gz XIMIMAOJORLRCL-PCPGVINSSA-N 0 2 538.655 10.603 40 30 KKEBLN C#CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)c1 ZINC000408938232 1071333299 /nfs/dbraw/zinc/33/32/99/1071333299.db2.gz PMMAMVIICBRNIG-UCQKPKSFSA-N 0 2 521.356 5.251 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000408956815 1071376362 /nfs/dbraw/zinc/37/63/62/1071376362.db2.gz YOLICUZOODRCJI-YDZHTSKRSA-N 0 2 560.990 5.441 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408984458 1071508163 /nfs/dbraw/zinc/50/81/63/1071508163.db2.gz RJOODUMONHDVAC-IWIPYMOSSA-N 0 2 579.878 6.639 40 30 KKEBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCc4ccccc4C#N)c(I)c3)C2=O)cc1Cl ZINC000408983617 1071515765 /nfs/dbraw/zinc/51/57/65/1071515765.db2.gz MWOCZWUCMDSSKX-UWVJOHFNSA-N 0 2 676.692 6.133 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408994705 1071556196 /nfs/dbraw/zinc/55/61/96/1071556196.db2.gz ZSHPZAMSKGFNEF-YSMPRRRNSA-N 0 2 615.911 7.538 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408992539 1071571701 /nfs/dbraw/zinc/57/17/01/1071571701.db2.gz UASIDXFFGKQYRB-UUYOSTAYSA-N 0 2 610.848 6.293 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408992079 1071575179 /nfs/dbraw/zinc/57/51/79/1071575179.db2.gz RXRGAVAZPCKEAH-IWIPYMOSSA-N 0 2 563.423 6.125 40 30 KKEBLN O=C1NC(=Nc2ccc(Br)cc2)S/C1=C/c1cc(Br)c(O)c(Br)c1 ZINC000408753347 1071657853 /nfs/dbraw/zinc/65/78/53/1071657853.db2.gz OAWXQGCYCOJXIQ-NTUHNPAUSA-N 0 2 533.039 5.571 40 30 KKEBLN Cc1cc([N+](=O)[O-])ccc1N=C1NC(=O)/C(=C\c2cc(Br)c(O)c(Br)c2)S1 ZINC000408753270 1071659804 /nfs/dbraw/zinc/65/98/04/1071659804.db2.gz NJRYVRNOVWXTCY-VGOFMYFVSA-N 0 2 513.167 5.025 40 30 KKEBLN O=C1NC(=Nc2ccc(Cl)c(Cl)c2)S/C1=C/c1cc(Br)c(O)c(Br)c1 ZINC000408748209 1071694053 /nfs/dbraw/zinc/69/40/53/1071694053.db2.gz ACWLHDIKNBOWJH-WLRTZDKTSA-N 0 2 523.033 6.116 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408760414 1071697403 /nfs/dbraw/zinc/69/74/03/1071697403.db2.gz YILCRJYFMZLGKZ-HZHRSRAPSA-N 0 2 576.403 5.640 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCC ZINC000408759627 1071700514 /nfs/dbraw/zinc/70/05/14/1071700514.db2.gz IEPRCLNIDSTICU-GZTJUZNOSA-N 0 2 548.231 5.314 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408772877 1071771654 /nfs/dbraw/zinc/77/16/54/1071771654.db2.gz NSUXBWOEOICOMW-OEAKJJBVSA-N 0 2 576.403 5.640 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc2c(c1)OCO2 ZINC000408771650 1071778907 /nfs/dbraw/zinc/77/89/07/1071778907.db2.gz HXGFALORTAHFDH-ZVHZXABRSA-N 0 2 510.546 5.006 40 30 KKEBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCc4ccccc4C#N)c(Cl)c3)C2=O)c1 ZINC000408767949 1071803909 /nfs/dbraw/zinc/80/39/09/1071803909.db2.gz RKVGFCAVODPDSE-UFFVCSGVSA-N 0 2 520.372 5.727 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408782035 1071813631 /nfs/dbraw/zinc/81/36/31/1071813631.db2.gz VHRYCIQCPYHJHZ-FYJGNVAPSA-N 0 2 569.814 6.216 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OCc1cccc(F)c1 ZINC000408781103 1071819984 /nfs/dbraw/zinc/81/99/84/1071819984.db2.gz ACPJNGZYOYEKNJ-BUVRLJJBSA-N 0 2 500.526 5.117 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408780132 1071826102 /nfs/dbraw/zinc/82/61/02/1071826102.db2.gz SYPXYCOTMCDDKG-CIAFOILYSA-N 0 2 571.844 6.629 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408780033 1071826986 /nfs/dbraw/zinc/82/69/86/1071826986.db2.gz QNXCHLMHACRSCW-WSDLNYQXSA-N 0 2 600.296 7.038 40 30 KKEBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCc4ccccc4C#N)c(I)c3)C2=O)cc1 ZINC000408779218 1071831500 /nfs/dbraw/zinc/83/15/00/1071831500.db2.gz BYEAVJMKFINQLC-KEBDBYFISA-N 0 2 642.247 5.479 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000408777719 1071841387 /nfs/dbraw/zinc/84/13/87/1071841387.db2.gz GWFLIKBGYQMPGP-OEAKJJBVSA-N 0 2 581.850 6.085 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000408790347 1071893436 /nfs/dbraw/zinc/89/34/36/1071893436.db2.gz QOPPMBAEQXKDMP-YZSQISJMSA-N 0 2 510.590 5.676 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000409066418 1071994864 /nfs/dbraw/zinc/99/48/64/1071994864.db2.gz ORDIROLBLHNCRG-PCLIKHOPSA-N 0 2 547.007 5.721 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000409066664 1072001164 /nfs/dbraw/zinc/00/11/64/1072001164.db2.gz PEYLPTRWTXQBAS-BUVRLJJBSA-N 0 2 561.978 5.621 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000409066739 1072001626 /nfs/dbraw/zinc/00/16/26/1072001626.db2.gz BIBLROYYGTXQDU-ZVHZXABRSA-N 0 2 545.523 5.107 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OCc1ccccc1F ZINC000409067193 1071998622 /nfs/dbraw/zinc/99/86/22/1071998622.db2.gz PNMIOFARBPGSCC-LPYMAVHISA-N 0 2 520.944 5.462 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409067201 1071998655 /nfs/dbraw/zinc/99/86/55/1071998655.db2.gz OGHWEUWWFVWQRR-LPYMAVHISA-N 0 2 596.423 6.274 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000409065371 1072009948 /nfs/dbraw/zinc/00/99/48/1072009948.db2.gz LBGLVCNXKPFISL-YZSQISJMSA-N 0 2 567.041 6.784 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000409065025 1072012308 /nfs/dbraw/zinc/01/23/08/1072012308.db2.gz KJGLWCIFMOVJKR-HZHRSRAPSA-N 0 2 547.405 5.432 40 30 KKEBLN C=CCOc1c(CC=C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OC ZINC000409074463 1072040471 /nfs/dbraw/zinc/04/04/71/1072040471.db2.gz ZPYCOCPCRQZJPZ-NLRVBDNBSA-N 0 2 524.573 5.234 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000409075188 1072062876 /nfs/dbraw/zinc/06/28/76/1072062876.db2.gz PMCRFRAEIZMQLC-LFVJCYFKSA-N 0 2 500.526 5.198 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409074948 1072065775 /nfs/dbraw/zinc/06/57/75/1072065775.db2.gz OYJTYMKLRBDAEI-LPYMAVHISA-N 0 2 587.437 5.165 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000409074932 1072065796 /nfs/dbraw/zinc/06/57/96/1072065796.db2.gz OMXCEENHHMVQGX-ZVHZXABRSA-N 0 2 609.904 6.784 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000409073807 1072071720 /nfs/dbraw/zinc/07/17/20/1072071720.db2.gz IQOCLTCMCROOPH-JVWAILMASA-N 0 2 567.041 6.784 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000409073660 1072072710 /nfs/dbraw/zinc/07/27/10/1072072710.db2.gz QYKQHQFEJBIKNZ-MTDXEUNCSA-N 0 2 576.605 5.609 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000409073525 1072073699 /nfs/dbraw/zinc/07/36/99/1072073699.db2.gz ZQOGLGQHVDNHPJ-HZHRSRAPSA-N 0 2 609.904 6.784 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000409073165 1072078000 /nfs/dbraw/zinc/07/80/00/1072078000.db2.gz PHNAAZOANMEAPQ-HYARGMPZSA-N 0 2 518.953 5.028 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409073004 1072079061 /nfs/dbraw/zinc/07/90/61/1072079061.db2.gz UNGJZEWVKXYNPV-OEAKJJBVSA-N 0 2 537.399 5.976 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409072627 1072080365 /nfs/dbraw/zinc/08/03/65/1072080365.db2.gz JYFUVMDRSPQUQS-OEAKJJBVSA-N 0 2 615.491 5.863 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409071465 1072088349 /nfs/dbraw/zinc/08/83/49/1072088349.db2.gz OSSZNMIKOBOCHZ-LPYMAVHISA-N 0 2 585.871 7.019 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409070864 1072093749 /nfs/dbraw/zinc/09/37/49/1072093749.db2.gz PEJGQCCDZCMVBO-MFKUBSTISA-N 0 2 531.008 5.939 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409070486 1072094906 /nfs/dbraw/zinc/09/49/06/1072094906.db2.gz YLBTUMIQQAVHEV-AJBULDERSA-N 0 2 623.105 7.292 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000409070296 1072095403 /nfs/dbraw/zinc/09/54/03/1072095403.db2.gz LLWIEXXOPXLSQV-PXLXIMEGSA-N 0 2 516.981 5.631 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000409070345 1072095820 /nfs/dbraw/zinc/09/58/20/1072095820.db2.gz LOOWUVWAAHCCTM-YZSQISJMSA-N 0 2 544.579 5.597 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000409069940 1072099095 /nfs/dbraw/zinc/09/90/95/1072099095.db2.gz YQEHHOATMIODDC-LFVJCYFKSA-N 0 2 561.432 5.822 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1OS(=O)(=O)c1ccccc1 ZINC000409068531 1072112250 /nfs/dbraw/zinc/11/22/50/1072112250.db2.gz TUADDIFFAHNARN-DEDYPNTBSA-N 0 2 587.437 5.165 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000409068751 1072108791 /nfs/dbraw/zinc/10/87/91/1072108791.db2.gz HUMMGVUWPVLCNG-UXHLAJHPSA-N 0 2 657.550 7.945 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000409068731 1072108821 /nfs/dbraw/zinc/10/88/21/1072108821.db2.gz UZIUFEFUZVZRQB-OEAKJJBVSA-N 0 2 551.426 6.366 40 30 KKEBLN CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cc(Br)c(O)c(Br)c3)c2C(=O)NCc2ccco2)C1 ZINC000409080243 1072124189 /nfs/dbraw/zinc/12/41/89/1072124189.db2.gz MLPHWVQWDVUPDD-WFIBAECOSA-N 0 2 594.369 7.403 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000409085334 1072177810 /nfs/dbraw/zinc/17/78/10/1072177810.db2.gz ZGJFLULSZQYWHH-ZVHZXABRSA-N 0 2 548.998 6.160 40 30 KKEBLN CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cc(I)c(O)c(I)c3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409084631 1072186419 /nfs/dbraw/zinc/18/64/19/1072186419.db2.gz PVKLLUWXHBPJPJ-BNWUJJENSA-N 0 2 718.826 8.470 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409081333 1072224945 /nfs/dbraw/zinc/22/49/45/1072224945.db2.gz NQIQBOBTIHDRRY-FYJGNVAPSA-N 0 2 599.493 6.339 40 30 KKEBLN CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cc(Br)c(O)c(Br)c3)c2C(=O)Nc2ccccc2)C1 ZINC000409088050 1072302492 /nfs/dbraw/zinc/30/24/92/1072302492.db2.gz VWJOWVCFFFSRDN-RNWQJLHQSA-N 0 2 590.381 8.133 40 30 KKEBLN CCc1nnc(C2=C(O)C(=Cc3ccc(OCc4ccc(Br)cc4)cc3)SC2=N)s1 ZINC000409336153 1072334542 /nfs/dbraw/zinc/33/45/42/1072334542.db2.gz LYCADIHUIKRFHX-FDKCTOBMSA-N 0 2 500.443 5.860 40 30 KKEBLN COc1cc(C=C2SC(=N)C(c3nccs3)=C2O)c(Br)cc1OCc1ccccc1C#N ZINC000409335629 1072337252 /nfs/dbraw/zinc/33/72/52/1072337252.db2.gz KUVUWDATJLGJER-RKQOSONESA-N 0 2 526.437 5.783 40 30 KKEBLN CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)ccc1OCc1cccc2ccccc21 ZINC000409334775 1072344024 /nfs/dbraw/zinc/34/40/24/1072344024.db2.gz ILZSBGBHVIURQL-YGHQBEQCSA-N 0 2 515.660 6.649 40 30 KKEBLN CCc1nnc(C2=C(O)C(=Cc3ccc(OCc4ccccc4)c(Br)c3)SC2=N)s1 ZINC000409333934 1072350768 /nfs/dbraw/zinc/35/07/68/1072350768.db2.gz GBAPNMWNWOLWLG-ANFUGJHOSA-N 0 2 500.443 5.860 40 30 KKEBLN CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)ccc1OCc1ccccc1Cl ZINC000409333061 1072356818 /nfs/dbraw/zinc/35/68/18/1072356818.db2.gz BPIGVXMIKCMGPM-OZACXRCISA-N 0 2 500.045 6.149 40 30 KKEBLN CCc1nnc(C2=C(O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)SC2=N)s1 ZINC000409337724 1072492877 /nfs/dbraw/zinc/49/28/77/1072492877.db2.gz ZDPRYEIQLSMINM-HGTQCNCZSA-N 0 2 520.463 6.413 40 30 KKEBLN N#Cc1c(/N=C/c2cc(I)cc(I)c2O)oc(-c2ccco2)c1-c1ccco1 ZINC000409377244 1072625386 /nfs/dbraw/zinc/62/53/86/1072625386.db2.gz GXBPEGKSBBZRHO-YSURURNPSA-N 0 2 596.118 6.337 40 30 KKEBLN Cc1ccc(-c2[nH][nH]c(=O)c2C(c2ccc(-c3ccccc3C#N)o2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409372347 1072646606 /nfs/dbraw/zinc/64/66/06/1072646606.db2.gz MQWNNMXADLKQRU-UHFFFAOYSA-N 0 2 527.584 6.807 40 30 KKEBLN CCOC(=O)c1cc(-c2ccc(C=N[N-]c3nc(Nc4ccccc4)nc(N4CCCC4)[nH+]3)o2)ccc1Cl ZINC000409203771 1072908670 /nfs/dbraw/zinc/90/86/70/1072908670.db2.gz ZEFPHGOVNCKAJS-STBIYBPSSA-N 0 2 532.004 5.173 40 30 KKEBLN CCN1C(=O)/C(=C\c2cc(Br)c(O)c(Br)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409229680 1073019607 /nfs/dbraw/zinc/01/96/07/1073019607.db2.gz SURKVDJCJSAACI-ODJLBJFPSA-N 0 2 512.223 5.550 40 30 KKEBLN CCN1C(=O)/C(=C\c2cc(Br)c(O)c(Br)c2)S/C1=N/c1ccc(F)cc1 ZINC000409235653 1073043339 /nfs/dbraw/zinc/04/33/39/1073043339.db2.gz CRUZMLWZAZJNIQ-ROGFPXQNSA-N 0 2 500.187 5.680 40 30 KKEBLN CCc1ccc2oc(-c3cc(/N=C/c4ccc(OC(=O)c5ccc(Cl)cc5Cl)cc4)ccc3O)nc2c1 ZINC000003032402 552268070 /nfs/dbraw/zinc/26/80/70/552268070.db2.gz UJWLPUQWSDDEMJ-KPGMTVGESA-N 0 2 531.395 8.039 40 30 KKEBLN CCOc1ccccc1/N=C1/SC(CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000003251442 552322419 /nfs/dbraw/zinc/32/24/19/552322419.db2.gz CREAZIMLOXVTHB-IHMZUKPYSA-N 0 2 538.025 5.628 40 30 KKEBLN CCOc1ccccc1/N=C1/S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000003251442 552322421 /nfs/dbraw/zinc/32/24/21/552322421.db2.gz CREAZIMLOXVTHB-IHMZUKPYSA-N 0 2 538.025 5.628 40 30 KKEBLN COc1ccc(Cl)cc1NC(=O)CC1S/C(=N/c2ccc(F)cc2)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000003251429 552322480 /nfs/dbraw/zinc/32/24/80/552322480.db2.gz JLYURWGGVBLHIE-SSTAQYRCSA-N 0 2 541.988 5.377 40 30 KKEBLN COc1ccc(Cl)cc1NC(=O)C[C@@H]1S/C(=N/c2ccc(F)cc2)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000003251429 552322482 /nfs/dbraw/zinc/32/24/82/552322482.db2.gz JLYURWGGVBLHIE-SSTAQYRCSA-N 0 2 541.988 5.377 40 30 KKEBLN CCc1ccc2oc(-c3cc(/N=C/c4cc(I)cc(I)c4O)ccc3O)nc2c1 ZINC000006860395 552974575 /nfs/dbraw/zinc/97/45/75/552974575.db2.gz BUUSPUIDPLRWCR-OPEKNORGSA-N 0 2 610.189 6.428 40 30 KKEBLN CC/C(=N\N=C1/NC(=O)C(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)S1)c1ccc(OC)cc1 ZINC000012529284 553385382 /nfs/dbraw/zinc/38/53/82/553385382.db2.gz OZHHWAWBJMUCJC-SVMUSQEWSA-N 0 2 512.941 5.098 40 30 KKEBLN CC/C(=N\N=C1/NC(=O)[C@@H](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)S1)c1ccc(OC)cc1 ZINC000012529284 553385383 /nfs/dbraw/zinc/38/53/83/553385383.db2.gz OZHHWAWBJMUCJC-SVMUSQEWSA-N 0 2 512.941 5.098 40 30 KKEBLN O=C(C[C@@H]1SC(=NN=Cc2c3ccccc3[nH]c2-c2ccccc2)NC1=O)c1ccc2c(c1)CCCC2 ZINC000012580203 553399105 /nfs/dbraw/zinc/39/91/05/553399105.db2.gz FHXWFILCKAVLAU-NXENVEDLSA-N 0 2 506.631 5.908 40 30 KKEBLN O=C(CC1SC(=NN=Cc2c3ccccc3[nH]c2-c2ccccc2)NC1=O)c1ccc2c(c1)CCCC2 ZINC000012580203 553399108 /nfs/dbraw/zinc/39/91/08/553399108.db2.gz FHXWFILCKAVLAU-NXENVEDLSA-N 0 2 506.631 5.908 40 30 KKEBLN CCOc1ccc(/N=C2/SC(CC(=O)Nc3cccc4ccccc43)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000012616436 553402747 /nfs/dbraw/zinc/40/27/47/553402747.db2.gz CLBCQJMOECOEBO-QZIMMBATSA-N 0 2 503.624 5.378 40 30 KKEBLN CCOc1ccc(/N=C2/S[C@H](CC(=O)Nc3cccc4ccccc43)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000012616436 553402748 /nfs/dbraw/zinc/40/27/48/553402748.db2.gz CLBCQJMOECOEBO-QZIMMBATSA-N 0 2 503.624 5.378 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N/c3ccc(F)cc3)N([C@H](C)CCC(C)C)C2=O)c([N+](=O)[O-])c1 ZINC000015911367 553541219 /nfs/dbraw/zinc/54/12/19/553541219.db2.gz AJOWCRSWERVZHS-IMPGVWCTSA-N 0 2 516.595 5.528 40 30 KKEBLN COc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(F)cc3)N([C@H](C)CCC(C)C)C2=O)c([N+](=O)[O-])c1 ZINC000015911367 553541221 /nfs/dbraw/zinc/54/12/21/553541221.db2.gz AJOWCRSWERVZHS-IMPGVWCTSA-N 0 2 516.595 5.528 40 30 KKEBLN Cc1ccc(/N=C2\SC(CC(=O)Nc3ccc(Br)cc3)C(=O)N2C2CCCC2)cc1Cl ZINC000015911606 553541454 /nfs/dbraw/zinc/54/14/54/553541454.db2.gz KFWUDTUCLJLLHF-XSMOSBQLSA-N 0 2 520.880 6.314 40 30 KKEBLN Cc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(Br)cc3)C(=O)N2C2CCCC2)cc1Cl ZINC000015911606 553541456 /nfs/dbraw/zinc/54/14/56/553541456.db2.gz KFWUDTUCLJLLHF-XSMOSBQLSA-N 0 2 520.880 6.314 40 30 KKEBLN O=C(CC1S/C(=N\c2ccccc2)N(CCc2ccc(F)cc2)C1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000020508866 553668472 /nfs/dbraw/zinc/66/84/72/553668472.db2.gz DVBGKKWYINOYSI-VXDNOLEKSA-N 0 2 516.425 6.336 40 30 KKEBLN O=C(C[C@H]1S/C(=N\c2ccccc2)N(CCc2ccc(F)cc2)C1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000020508866 553668474 /nfs/dbraw/zinc/66/84/74/553668474.db2.gz DVBGKKWYINOYSI-VXDNOLEKSA-N 0 2 516.425 6.336 40 30 KKEBLN CCOc1ccccc1/N=C1/SC(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1[C@@H](C)C(C)C ZINC000096400528 553753687 /nfs/dbraw/zinc/75/36/87/553753687.db2.gz YTQQSZLODSIQIQ-NGYPOUIXSA-N 0 2 519.023 5.652 40 30 KKEBLN CCOc1ccccc1/N=C1/S[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1[C@@H](C)C(C)C ZINC000096400528 553753688 /nfs/dbraw/zinc/75/36/88/553753688.db2.gz YTQQSZLODSIQIQ-NGYPOUIXSA-N 0 2 519.023 5.652 40 30 KKEBLN CC(=O)c1ccc(NC(=O)CC2SC(=Nc3ccc(C)cc3C)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000097982000 553998834 /nfs/dbraw/zinc/99/88/34/553998834.db2.gz JXVYDFDPZSONGO-RYRBQSRMSA-N 0 2 529.618 5.395 40 30 KKEBLN CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3C)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000097982000 553998838 /nfs/dbraw/zinc/99/88/38/553998838.db2.gz JXVYDFDPZSONGO-RYRBQSRMSA-N 0 2 529.618 5.395 40 30 KKEBLN COc1ccc(/N=C2/SC(CC(=O)Nc3ccc(Br)cc3)C(=O)N2CCC2=CCCCC2)cc1 ZINC000097982068 553999427 /nfs/dbraw/zinc/99/94/27/553999427.db2.gz LBDOWGIYRPNWPK-SSTAQYRCSA-N 0 2 542.499 6.309 40 30 KKEBLN COc1ccc(/N=C2/S[C@@H](CC(=O)Nc3ccc(Br)cc3)C(=O)N2CCC2=CCCCC2)cc1 ZINC000097982068 553999432 /nfs/dbraw/zinc/99/94/32/553999432.db2.gz LBDOWGIYRPNWPK-SSTAQYRCSA-N 0 2 542.499 6.309 40 30 KKEBLN Cc1ccc(/N=C2/SC(CC(=O)Nc3ccc(C)cc3[N+](=O)[O-])C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000097982064 553999447 /nfs/dbraw/zinc/99/94/47/553999447.db2.gz NIYIHGQDUNFETO-ZGGJALHESA-N 0 2 532.578 5.101 40 30 KKEBLN Cc1ccc(/N=C2/S[C@@H](CC(=O)Nc3ccc(C)cc3[N+](=O)[O-])C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000097982064 553999451 /nfs/dbraw/zinc/99/94/51/553999451.db2.gz NIYIHGQDUNFETO-ZGGJALHESA-N 0 2 532.578 5.101 40 30 KKEBLN CCOc1ccccc1/N=C1/SC(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C(=O)N1[C@H](C)CCC(C)C ZINC000097982082 553999529 /nfs/dbraw/zinc/99/95/29/553999529.db2.gz TZIIHMJTDLMWJV-YSBUSXQZSA-N 0 2 542.658 5.787 40 30 KKEBLN CCOc1ccccc1/N=C1/S[C@@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C(=O)N1[C@H](C)CCC(C)C ZINC000097982082 553999532 /nfs/dbraw/zinc/99/95/32/553999532.db2.gz TZIIHMJTDLMWJV-YSBUSXQZSA-N 0 2 542.658 5.787 40 30 KKEBLN CCOc1ccccc1/N=C1/SC(CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1[C@@H](C)CCC(C)C ZINC000097982085 553999860 /nfs/dbraw/zinc/99/98/60/553999860.db2.gz ONMJSXAPMVKMLL-RJGVHPHUSA-N 0 2 535.632 6.889 40 30 KKEBLN CCOc1ccccc1/N=C1/S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1[C@@H](C)CCC(C)C ZINC000097982085 553999864 /nfs/dbraw/zinc/99/98/64/553999864.db2.gz ONMJSXAPMVKMLL-RJGVHPHUSA-N 0 2 535.632 6.889 40 30 KKEBLN Cc1ccc(/N=C2/SC(CC(=O)Nc3ccc(I)cc3)C(=O)N2C2CCCC2)cc1C ZINC000097982162 554000318 /nfs/dbraw/zinc/00/03/18/554000318.db2.gz GEKQJMOYQNJJRL-RTGZZVAKSA-N 0 2 547.462 5.811 40 30 KKEBLN Cc1ccc(/N=C2/S[C@H](CC(=O)Nc3ccc(I)cc3)C(=O)N2C2CCCC2)cc1C ZINC000097982162 554000320 /nfs/dbraw/zinc/00/03/20/554000320.db2.gz GEKQJMOYQNJJRL-RTGZZVAKSA-N 0 2 547.462 5.811 40 30 KKEBLN CCCCCCCCCCCCCOC[C@H](O)COc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(C)cc3C)n2)c(O)c1 ZINC000100042265 554192621 /nfs/dbraw/zinc/19/26/21/554192621.db2.gz PSMYELRXRQIDAX-XIFFEERXSA-N 0 2 653.908 9.879 40 30 KKEBLN CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccccc3C#N)C2=O)c1 ZINC000059105089 554379984 /nfs/dbraw/zinc/37/99/84/554379984.db2.gz JXVGTLDJEALSMC-HZHRSRAPSA-N 0 2 511.534 5.441 40 30 KKEBLN C=CCOc1ccc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1Br ZINC000059198309 554384606 /nfs/dbraw/zinc/38/46/06/554384606.db2.gz JIBQRHAAQBRUHF-OQLLNIDSSA-N 0 2 506.150 5.283 40 30 KKEBLN Oc1c(Br)cc(/C=N/c2ccc3nc(SCc4cc(Cl)ccc4Cl)sc3c2)cc1Br ZINC000100454744 554395639 /nfs/dbraw/zinc/39/56/39/554395639.db2.gz SAPAUQBXNLHJIM-JQAMDZJQSA-N 0 2 603.188 8.877 40 30 KKEBLN O=c1[nH]c2c(s1)[C@@H](c1ccc(Cl)cc1)[C@@H]1[C@@H]3C[C@H]([C@H]1S2)[C@@H]1C(=O)N(N=Cc2ccc(Cl)cc2)C(=O)[C@H]31 ZINC000059690549 554424418 /nfs/dbraw/zinc/42/44/18/554424418.db2.gz GARURRBBVQIVMS-RJULHSFESA-N 0 2 556.496 5.251 40 30 KKEBLN O=C(CC1S/C(=N/N=C/c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)NC1=O)Nc1ccc(Br)cc1 ZINC000100864146 554496805 /nfs/dbraw/zinc/49/68/05/554496805.db2.gz WYVFNOVZOKHYFS-SSNCBAMGSA-N 0 2 616.881 5.540 40 30 KKEBLN O=C(C[C@H]1S/C(=N/N=C/c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)NC1=O)Nc1ccc(Br)cc1 ZINC000100864146 554496807 /nfs/dbraw/zinc/49/68/07/554496807.db2.gz WYVFNOVZOKHYFS-SSNCBAMGSA-N 0 2 616.881 5.540 40 30 KKEBLN O=C(CC1S/C(=N/N=C/c2c3ccccc3[nH]c2-c2ccccc2)NC1=O)Nc1ccc(Br)cc1 ZINC000100864342 554496818 /nfs/dbraw/zinc/49/68/18/554496818.db2.gz UJUDHMWSIMVIAN-FEGPCZTRSA-N 0 2 546.450 5.548 40 30 KKEBLN O=C(C[C@H]1S/C(=N/N=C/c2c3ccccc3[nH]c2-c2ccccc2)NC1=O)Nc1ccc(Br)cc1 ZINC000100864342 554496821 /nfs/dbraw/zinc/49/68/21/554496821.db2.gz UJUDHMWSIMVIAN-FEGPCZTRSA-N 0 2 546.450 5.548 40 30 KKEBLN C=CCN1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N/c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000100921914 554521766 /nfs/dbraw/zinc/52/17/66/554521766.db2.gz KTNPMOQHVDFHBQ-ORONYANGSA-N 0 2 517.057 5.387 40 30 KKEBLN CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cc5ccccc5Cl)cc([N+](=O)[O-])c4O)cc3)nc2c1 ZINC000100953497 554538140 /nfs/dbraw/zinc/53/81/40/554538140.db2.gz XFVXSKSZWRHOIJ-CEQVMOKUSA-N 0 2 540.019 8.617 40 30 KKEBLN CC(/C=N/N=C1/SC(CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccco1)=C\c1ccccc1 ZINC000101025485 554563610 /nfs/dbraw/zinc/56/36/10/554563610.db2.gz ORPZPAHWSLOEKX-LJZPCBJWSA-N 0 2 540.567 6.217 40 30 KKEBLN Cc1ccccc1NC(=O)CC1S/C(=N/S(=O)(=O)c2ccc(Br)cc2)N(C2CCCCC2)C1=O ZINC000101042741 554567977 /nfs/dbraw/zinc/56/79/77/554567977.db2.gz QALJKCZBTDFADN-BPMVYWJCSA-N 0 2 564.527 5.108 40 30 KKEBLN CCOC(=O)c1ccc(NC(=O)CC2S/C(=N/c3ccc(F)cc3)N(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000101584335 554801392 /nfs/dbraw/zinc/80/13/92/554801392.db2.gz SUAVEHHMNCIKQR-UBTVYAQJSA-N 0 2 535.597 5.172 40 30 KKEBLN CCOC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(F)cc3)N(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000101584335 554801396 /nfs/dbraw/zinc/80/13/96/554801396.db2.gz SUAVEHHMNCIKQR-UBTVYAQJSA-N 0 2 535.597 5.172 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000102406133 554920941 /nfs/dbraw/zinc/92/09/41/554920941.db2.gz KLAMQNUOMIPDMR-UCSRTCPSSA-N 0 2 552.052 5.686 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000102406133 554920943 /nfs/dbraw/zinc/92/09/43/554920943.db2.gz KLAMQNUOMIPDMR-UCSRTCPSSA-N 0 2 552.052 5.686 40 30 KKEBLN CCCCCCOc1ccc(NC(=O)CC2S/C(=N/c3ccc(C(=O)OC)cc3)N(CC)C2=O)cc1 ZINC000102408266 554922736 /nfs/dbraw/zinc/92/27/36/554922736.db2.gz KIKDSHUGSOYVCC-HIDJJAHFSA-N 0 2 511.644 5.413 40 30 KKEBLN CCCCCCOc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(C(=O)OC)cc3)N(CC)C2=O)cc1 ZINC000102408266 554922740 /nfs/dbraw/zinc/92/27/40/554922740.db2.gz KIKDSHUGSOYVCC-HIDJJAHFSA-N 0 2 511.644 5.413 40 30 KKEBLN Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000102715619 555018613 /nfs/dbraw/zinc/01/86/13/555018613.db2.gz HQCFSJFCYPRAMQ-GZTJUZNOSA-N 0 2 539.444 6.720 40 30 KKEBLN Cc1ccccc1/N=C1/SC(CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000102961000 555176342 /nfs/dbraw/zinc/17/63/42/555176342.db2.gz DLGPUDZNSOQOLI-XKJZTMLSSA-N 0 2 509.534 5.162 40 30 KKEBLN Cc1ccccc1/N=C1/S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000102961000 555176344 /nfs/dbraw/zinc/17/63/44/555176344.db2.gz DLGPUDZNSOQOLI-XKJZTMLSSA-N 0 2 509.534 5.162 40 30 KKEBLN Cc1c(Cl)cccc1NC(=O)CC1S/C(=N\c2cccc3ccccc32)N([C@@H](C)CCC(C)C)C1=O ZINC000102961335 555176797 /nfs/dbraw/zinc/17/67/97/555176797.db2.gz AWSAQSQQQUGZSK-DBJMWMJPSA-N 0 2 522.114 7.587 40 30 KKEBLN Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N\c2cccc3ccccc32)N([C@@H](C)CCC(C)C)C1=O ZINC000102961335 555176800 /nfs/dbraw/zinc/17/68/00/555176800.db2.gz AWSAQSQQQUGZSK-DBJMWMJPSA-N 0 2 522.114 7.587 40 30 KKEBLN CC(=O)c1ccc(NC(=O)CC2SC(=Nc3ccc(Cl)cc3)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000102961747 555177770 /nfs/dbraw/zinc/17/77/70/555177770.db2.gz IVZQQHIEHUATLX-ZSUDGOGXSA-N 0 2 536.009 5.432 40 30 KKEBLN CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000102961747 555177772 /nfs/dbraw/zinc/17/77/72/555177772.db2.gz IVZQQHIEHUATLX-ZSUDGOGXSA-N 0 2 536.009 5.432 40 30 KKEBLN O=C(CC1S/C(=N/c2ccc(OC(F)F)cc2)N(C[C@@H]2CCCO2)C1=O)Nc1ccc(Cl)cc1 ZINC000102961905 555178047 /nfs/dbraw/zinc/17/80/47/555178047.db2.gz SPUOMORIGMEDHS-FTPQUJRUSA-N 0 2 509.962 5.081 40 30 KKEBLN O=C(C[C@H]1S/C(=N/c2ccc(OC(F)F)cc2)N(C[C@@H]2CCCO2)C1=O)Nc1ccc(Cl)cc1 ZINC000102961905 555178049 /nfs/dbraw/zinc/17/80/49/555178049.db2.gz SPUOMORIGMEDHS-FTPQUJRUSA-N 0 2 509.962 5.081 40 30 KKEBLN Cc1ccc(C)c(/N=C2\SC(CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2Cc2ccc3c(c2)OCO3)c1 ZINC000102962288 555178425 /nfs/dbraw/zinc/17/84/25/555178425.db2.gz YUHCSDHXLFZPQX-LMQTZDNFSA-N 0 2 555.578 6.211 40 30 KKEBLN Cc1ccc(C)c(/N=C2\S[C@@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2Cc2ccc3c(c2)OCO3)c1 ZINC000102962288 555178429 /nfs/dbraw/zinc/17/84/29/555178429.db2.gz YUHCSDHXLFZPQX-LMQTZDNFSA-N 0 2 555.578 6.211 40 30 KKEBLN Cc1ccc(/N=C2\SC(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C(=O)N2Cc2ccccn2)c(C)c1 ZINC000102962334 555178535 /nfs/dbraw/zinc/17/85/35/555178535.db2.gz VMRFECRBAYCJEZ-MPEFBMSTSA-N 0 2 547.002 6.531 40 30 KKEBLN Cc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C(=O)N2Cc2ccccn2)c(C)c1 ZINC000102962334 555178537 /nfs/dbraw/zinc/17/85/37/555178537.db2.gz VMRFECRBAYCJEZ-MPEFBMSTSA-N 0 2 547.002 6.531 40 30 KKEBLN Cc1ccc(/N=C2\SC(CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2Cc2ccc3c(c2)OCO3)c(C)c1 ZINC000102962397 555178662 /nfs/dbraw/zinc/17/86/62/555178662.db2.gz CKWHDWXDURZQFF-LMQTZDNFSA-N 0 2 555.578 6.211 40 30 KKEBLN Cc1ccc(/N=C2\S[C@@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2Cc2ccc3c(c2)OCO3)c(C)c1 ZINC000102962397 555178667 /nfs/dbraw/zinc/17/86/67/555178667.db2.gz CKWHDWXDURZQFF-LMQTZDNFSA-N 0 2 555.578 6.211 40 30 KKEBLN Cc1ccc(/N=C2\SC(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2C[C@@H]2CCCO2)c(C)c1 ZINC000102962417 555178706 /nfs/dbraw/zinc/17/87/06/555178706.db2.gz LFEUYMFDDBOWLH-PBVXLHRXSA-N 0 2 540.900 6.403 40 30 KKEBLN Cc1ccc(/N=C2\S[C@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2C[C@@H]2CCCO2)c(C)c1 ZINC000102962417 555178708 /nfs/dbraw/zinc/17/87/08/555178708.db2.gz LFEUYMFDDBOWLH-PBVXLHRXSA-N 0 2 540.900 6.403 40 30 KKEBLN CC(C)c1ccc(/N=C2/SC(CC(=O)Nc3cccc4ccccc43)C(=O)N2CCC2=CCCCC2)cc1 ZINC000102962465 555178747 /nfs/dbraw/zinc/17/87/47/555178747.db2.gz WDMTZXNAZGPGRZ-DSDRSIRCSA-N 0 2 525.718 7.814 40 30 KKEBLN CC(C)c1ccc(/N=C2/S[C@H](CC(=O)Nc3cccc4ccccc43)C(=O)N2CCC2=CCCCC2)cc1 ZINC000102962465 555178749 /nfs/dbraw/zinc/17/87/49/555178749.db2.gz WDMTZXNAZGPGRZ-DSDRSIRCSA-N 0 2 525.718 7.814 40 30 KKEBLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1N=NCc1cc(Br)c(O)c(Br)c1 ZINC000102983627 555189508 /nfs/dbraw/zinc/18/95/08/555189508.db2.gz VMYRBJZYVBNHMH-AUEPDCJTSA-N 0 2 604.664 5.726 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000103849150 571364060 /nfs/dbraw/zinc/36/40/60/571364060.db2.gz QMCOMAWPMKQEHZ-OEAKJJBVSA-N 0 2 565.395 5.571 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000103850729 571364583 /nfs/dbraw/zinc/36/45/83/571364583.db2.gz PKZNLXIOYHNJQF-WPWMEQJKSA-N 0 2 536.559 5.961 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000103850630 571364585 /nfs/dbraw/zinc/36/45/85/571364585.db2.gz HQIXSVIYDQPIJZ-FYJGNVAPSA-N 0 2 553.359 5.701 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000103850658 571364680 /nfs/dbraw/zinc/36/46/80/571364680.db2.gz BVZNEHWLHNPTGL-LPYMAVHISA-N 0 2 580.366 5.470 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OCc1ccccc1C#N ZINC000103850772 571364856 /nfs/dbraw/zinc/36/48/56/571364856.db2.gz UQURTHZCWXUAAF-MFKUBSTISA-N 0 2 525.536 5.070 40 30 KKEBLN Cc1cc(/C=N/c2cc([N+](=O)[O-])ccc2O)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000103870043 571368309 /nfs/dbraw/zinc/36/83/09/571368309.db2.gz MTHMEUHVPIIHDG-OKCVXOCRSA-N 0 2 528.634 6.960 40 30 KKEBLN Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N\c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000103938827 571370391 /nfs/dbraw/zinc/37/03/91/571370391.db2.gz FLDBNMYJUMAXDQ-USHMODERSA-N 0 2 519.648 5.656 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000105126251 571391616 /nfs/dbraw/zinc/39/16/16/571391616.db2.gz JVBQWBCQUCKQMF-CALDVZBHSA-N 0 2 565.623 5.180 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000105126251 571391617 /nfs/dbraw/zinc/39/16/17/571391617.db2.gz JVBQWBCQUCKQMF-CALDVZBHSA-N 0 2 565.623 5.180 40 30 KKEBLN O=S(=O)(Nc1cc(Cl)c(Cl)cc1/N=C\c1cc(I)cc(I)c1O)c1ccccc1 ZINC000150382865 571467436 /nfs/dbraw/zinc/46/74/36/571467436.db2.gz DBPZVDIFEVHPBQ-VROXFSQNSA-N 0 2 673.097 6.460 40 30 KKEBLN CC1(C)CC[C@]2(C(=O)N3CCOCC3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=NOC(=O)C[C@@H]6SC(=O)NC6=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000150432966 571494547 /nfs/dbraw/zinc/49/45/47/571494547.db2.gz WJRJONZDINDKQJ-DXBVBETFSA-N 0 2 695.967 7.288 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000164322025 571545599 /nfs/dbraw/zinc/54/55/99/571545599.db2.gz ZUBSNDLFWJBLAQ-KCSSXMTESA-N 0 2 651.203 8.180 40 30 KKEBLN Oc1c(Br)cc(/C=N/c2ccc3nc(SCc4ccc5c(c4)Cc4ccccc4-5)sc3c2)cc1Br ZINC000164651487 571550110 /nfs/dbraw/zinc/55/01/10/571550110.db2.gz UPJPWSIXEUXLCM-XAZZYMPDSA-N 0 2 622.407 9.141 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OCC ZINC000408536989 572192683 /nfs/dbraw/zinc/19/26/83/572192683.db2.gz BTOYQPWWZVWSEQ-STZFKDTASA-N 0 2 544.004 6.053 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1OCC ZINC000408538211 572197395 /nfs/dbraw/zinc/19/73/95/572197395.db2.gz KFJHWMGPIGCEHW-HAVVHWLPSA-N 0 2 543.060 6.543 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl ZINC000408538314 572197579 /nfs/dbraw/zinc/19/75/79/572197579.db2.gz KWVLUKQEPITDFZ-CPNJWEJPSA-N 0 2 568.295 7.162 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OCC ZINC000408538379 572198113 /nfs/dbraw/zinc/19/81/13/572198113.db2.gz LWIXQJLMCCOPBH-RCCKNPSSSA-N 0 2 516.997 6.284 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1OC ZINC000408538565 572198646 /nfs/dbraw/zinc/19/86/46/572198646.db2.gz OVPDIBFDOZLMIJ-RCCKNPSSSA-N 0 2 559.457 5.872 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC ZINC000408538666 572199104 /nfs/dbraw/zinc/19/91/04/572199104.db2.gz BHZCVZOUDISYGH-KGENOOAVSA-N 0 2 577.903 6.907 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC ZINC000408538776 572199530 /nfs/dbraw/zinc/19/95/30/572199530.db2.gz QRLUGZJQUHVHDG-QNGOZBTKSA-N 0 2 544.004 6.053 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl ZINC000408538758 572199699 /nfs/dbraw/zinc/19/96/99/572199699.db2.gz QHMBCCZTDRCVCE-BOPFTXTBSA-N 0 2 558.289 7.706 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1OC ZINC000408538921 572199904 /nfs/dbraw/zinc/19/99/04/572199904.db2.gz RKBASRUYKKQFES-RCCKNPSSSA-N 0 2 515.006 5.763 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000408538978 572200377 /nfs/dbraw/zinc/20/03/77/572200377.db2.gz SIDPKAUBCZONJL-XSFVSMFZSA-N 0 2 547.421 6.003 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Cl ZINC000408539100 572201085 /nfs/dbraw/zinc/20/10/85/572201085.db2.gz SRPIAVAROGGQGV-CPNJWEJPSA-N 0 2 507.389 6.538 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl ZINC000408539247 572201509 /nfs/dbraw/zinc/20/15/09/572201509.db2.gz UQHVIVKEZPCILG-UYRXBGFRSA-N 0 2 534.396 6.307 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Br ZINC000408539395 572201924 /nfs/dbraw/zinc/20/19/24/572201924.db2.gz HBJBYKMZEHMHLZ-XDHOZWIPSA-N 0 2 612.746 7.271 40 30 KKEBLN CCCCCCCCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(OCCC)c(OC)c2)C1=O ZINC000408539427 572201932 /nfs/dbraw/zinc/20/19/32/572201932.db2.gz HMWGQHXUZMRGQF-NKFKGCMQSA-N 0 2 587.511 6.652 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OC ZINC000408539515 572202478 /nfs/dbraw/zinc/20/24/78/572202478.db2.gz IDKVGKDZMDQFKT-DEDYPNTBSA-N 0 2 533.452 6.716 40 30 KKEBLN CCCCCCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC ZINC000408539567 572202490 /nfs/dbraw/zinc/20/24/90/572202490.db2.gz XPRVGTVXIICOPY-HKWRFOASSA-N 0 2 533.452 6.798 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCCC)c(OCC)c3)C2=O)cc1OCC ZINC000408540327 572205458 /nfs/dbraw/zinc/20/54/58/572205458.db2.gz QBTAJZQNCIEQHO-HKOYGPOVSA-N 0 2 645.591 7.441 40 30 KKEBLN O=C([O-])c1ccc(Cn2cc(/C=C3\SC(=Nc4ccccc4)N(CCC[NH+]4CCOCC4)C3=O)c3ccccc32)o1 ZINC000408543490 572212821 /nfs/dbraw/zinc/21/28/21/572212821.db2.gz RLIBSVFZXAEPPP-MRYWEKRUSA-N 0 2 570.671 5.307 40 30 KKEBLN C#CCOc1ccc(C(c2c(C)[nH]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1OC ZINC000108423288 1069720321 /nfs/dbraw/zinc/72/03/21/1069720321.db2.gz HORILLXIOATYCZ-UHFFFAOYSA-N 0 2 520.589 5.287 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408772448 1069885049 /nfs/dbraw/zinc/88/50/49/1069885049.db2.gz PIZILQDDTFGKBW-OEAKJJBVSA-N 0 2 565.851 6.385 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000408781386 1069904604 /nfs/dbraw/zinc/90/46/04/1069904604.db2.gz RVLBDMLFXNZZCH-LFVJCYFKSA-N 0 2 531.008 6.021 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408783612 1069910825 /nfs/dbraw/zinc/91/08/25/1069910825.db2.gz NRSDUKZEMJBFED-OEAKJJBVSA-N 0 2 563.423 6.179 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408784435 1069911466 /nfs/dbraw/zinc/91/14/66/1069911466.db2.gz BXJARCQPOMOEIX-SRZZPIQSSA-N 0 2 620.714 7.383 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408785986 1069920737 /nfs/dbraw/zinc/92/07/37/1069920737.db2.gz DELDRLFZDZFXRR-LPYMAVHISA-N 0 2 569.814 6.216 40 30 KKEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)cc1OC ZINC000408827676 1070007645 /nfs/dbraw/zinc/00/76/45/1070007645.db2.gz LTKMGMXSMFLSHH-KUVNRZIVSA-N 0 2 623.709 6.251 40 30 KKEBLN C=CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccc(C)cc3)cc2)C1=O ZINC000408837021 1070029042 /nfs/dbraw/zinc/02/90/42/1070029042.db2.gz XVIGTFDEWAHHNE-LFVJCYFKSA-N 0 2 502.954 5.459 40 30 KKEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1OCC ZINC000408834908 1070035550 /nfs/dbraw/zinc/03/55/50/1070035550.db2.gz VMKWSXIFPTVCMF-BUVRLJJBSA-N 0 2 547.007 5.857 40 30 KKEBLN C#CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C1=O ZINC000408835612 1070037921 /nfs/dbraw/zinc/03/79/21/1070037921.db2.gz ONGBLONUYCBRSE-IELYTUAKSA-N 0 2 628.128 6.896 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408846369 1070053892 /nfs/dbraw/zinc/05/38/92/1070053892.db2.gz KAWTZVMJIDPHJA-VUTHCHCSSA-N 0 2 516.597 6.431 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OCC)c1OCc1ccc2c(c1)OCO2 ZINC000408854649 1070072854 /nfs/dbraw/zinc/07/28/54/1070072854.db2.gz AQWQNKHWVCSQHD-AFUMVMLFSA-N 0 2 554.599 5.405 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408951572 1070320627 /nfs/dbraw/zinc/32/06/27/1070320627.db2.gz LWVIUZWKIQBIOW-DPNNOFEESA-N 0 2 661.755 7.435 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408985684 1070346647 /nfs/dbraw/zinc/34/66/47/1070346647.db2.gz XPCSVPALAZKOPF-UCQKPKSFSA-N 0 2 531.952 5.531 40 30 KKEBLN C=CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O ZINC000409053281 1070456559 /nfs/dbraw/zinc/45/65/59/1070456559.db2.gz BRSGDZFEYUGKTJ-NTEUORMPSA-N 0 2 554.622 5.405 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000409067126 1070483190 /nfs/dbraw/zinc/48/31/90/1070483190.db2.gz PGAOKPUGILWDFO-NLRVBDNBSA-N 0 2 567.041 6.866 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000409067585 1070484028 /nfs/dbraw/zinc/48/40/28/1070484028.db2.gz FRCOKKKLOQGIJJ-XQNSMLJCSA-N 0 2 500.526 5.198 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409071048 1070496278 /nfs/dbraw/zinc/49/62/78/1070496278.db2.gz IDZSDFCKMLLSSI-SSDVNMTOSA-N 0 2 571.844 6.629 40 30 KKEBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)cc(I)c3OCc3ccccc3C#N)C2=O)cc1 ZINC000408895280 1070846604 /nfs/dbraw/zinc/84/66/04/1070846604.db2.gz DOBIYQJDHMFLNY-SRZZPIQSSA-N 0 2 689.247 5.321 40 30 KKEBLN CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)ccc1OCc1ccc(Br)cc1 ZINC000409336573 1070857081 /nfs/dbraw/zinc/85/70/81/1070857081.db2.gz PTKZSALZKRZKLB-OZACXRCISA-N 0 2 544.496 6.259 40 30 KKEBLN CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409337688 1070859287 /nfs/dbraw/zinc/85/92/87/1070859287.db2.gz XZOCWLCOLMSPKM-BCNTYESTSA-N 0 2 623.392 7.021 40 30 KKEBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(I)cc(I)c3OCc3ccccc3C#N)C2=O)c1 ZINC000408898829 1070953449 /nfs/dbraw/zinc/95/34/49/1070953449.db2.gz MUQCVHPGURLWAY-SSDVNMTOSA-N 0 2 703.274 5.630 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(OCC)c1OCc1ccccc1C#N ZINC000408909598 1070975275 /nfs/dbraw/zinc/97/52/75/1070975275.db2.gz HJBPXMMVSPIZOI-AFUMVMLFSA-N 0 2 525.536 5.070 40 30 KKEBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000408915600 1071007091 /nfs/dbraw/zinc/00/70/91/1071007091.db2.gz YIBRANAOICLJFB-UFFVCSGVSA-N 0 2 564.367 5.104 40 30 KKEBLN O=C1/C(=C/c2cc(Br)c(O)c(Br)c2)S/C(=N\c2ccc([N+](=O)[O-])cc2)N1CCc1c[nH]c2ccccc12 ZINC000408931032 1071155030 /nfs/dbraw/zinc/15/50/30/1071155030.db2.gz GGEAXOOXMOCEEH-OZOPNLFCSA-N 0 2 642.329 7.153 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000408947239 1071263173 /nfs/dbraw/zinc/26/31/73/1071263173.db2.gz BKEDLDJXOQZORB-KPGMTVGESA-N 0 2 685.648 8.834 40 30 KKEBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000408946543 1071268445 /nfs/dbraw/zinc/26/84/45/1071268445.db2.gz ANKYCGJBQNBFGG-VFLNYLIXSA-N 0 2 713.572 6.885 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000408951790 1071348935 /nfs/dbraw/zinc/34/89/35/1071348935.db2.gz MPUVQFDOQCKVHK-UFFVCSGVSA-N 0 2 581.408 5.705 40 30 KKEBLN C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OC ZINC000408950994 1071354161 /nfs/dbraw/zinc/35/41/61/1071354161.db2.gz KPSQEURMTLXRRX-WYMPLXKRSA-N 0 2 545.035 5.495 40 30 KKEBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000408951580 1071351212 /nfs/dbraw/zinc/35/12/12/1071351212.db2.gz LXOZALCKPKYGIO-AMVVHIIESA-N 0 2 680.599 7.433 40 30 KKEBLN N#Cc1ccccc1COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408953860 1071393733 /nfs/dbraw/zinc/39/37/33/1071393733.db2.gz QEFNFVJKLFHLNL-FJEPWZHXSA-N 0 2 636.546 7.034 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000408953241 1071396875 /nfs/dbraw/zinc/39/68/75/1071396875.db2.gz PIHWREJLLWXNNU-IBBHUPRXSA-N 0 2 671.621 8.444 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408985999 1071495580 /nfs/dbraw/zinc/49/55/80/1071495580.db2.gz ZAPJOLWKAUSVDV-UCQKPKSFSA-N 0 2 521.400 6.276 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000408985854 1071496325 /nfs/dbraw/zinc/49/63/25/1071496325.db2.gz BGMRTNYUVZULKE-FMCGGJTJSA-N 0 2 599.898 7.328 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408985477 1071498578 /nfs/dbraw/zinc/49/85/78/1071498578.db2.gz XAQQYWYICUYFJG-UCQKPKSFSA-N 0 2 565.851 6.385 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000408985331 1071500616 /nfs/dbraw/zinc/50/06/16/1071500616.db2.gz AOZKNTKCIDKZSY-OYKKKHCWSA-N 0 2 548.998 6.160 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408984912 1071503881 /nfs/dbraw/zinc/50/38/81/1071503881.db2.gz UGIXNDJQBCTXJC-MTJSOVHGSA-N 0 2 555.845 6.929 40 30 KKEBLN COc1ccc(-c2oc(/N=C/c3ccc(O)c(Br)c3)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000408726293 1071513323 /nfs/dbraw/zinc/51/33/23/1071513323.db2.gz RNJBTDQISYYHFN-WKULSOCRSA-N 0 2 503.352 6.721 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1cccc(F)c1 ZINC000408983074 1071520990 /nfs/dbraw/zinc/52/09/90/1071520990.db2.gz KDFDLKXUQOCTOJ-UCQKPKSFSA-N 0 2 504.945 5.761 40 30 KKEBLN Oc1c(I)cc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1I ZINC000408978086 1071549201 /nfs/dbraw/zinc/54/92/01/1071549201.db2.gz KNFQDCWAZUUBON-BRJLIKDPSA-N 0 2 614.290 7.523 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000408988292 1071605708 /nfs/dbraw/zinc/60/57/08/1071605708.db2.gz HOLVJYUMLGHHED-OYKKKHCWSA-N 0 2 565.453 6.538 40 30 KKEBLN Cc1ccc(N=C2NC(=O)/C(=C/c3cc(Br)c(O)c(Br)c3)S2)cc1Cl ZINC000408738882 1071606019 /nfs/dbraw/zinc/60/60/19/1071606019.db2.gz PQNWDAPCPSOKAU-NSIKDUERSA-N 0 2 502.615 5.771 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000408988157 1071607224 /nfs/dbraw/zinc/60/72/24/1071607224.db2.gz HGQYLRHSTGTKHG-YUMHPJSZSA-N 0 2 567.041 6.784 40 30 KKEBLN Cc1cc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCc4ccccc4C#N)c(Br)c3)C2=O)ccc1Br ZINC000408755305 1071645977 /nfs/dbraw/zinc/64/59/77/1071645977.db2.gz JKHYOVFQGQJJAS-DJKKODMXSA-N 0 2 629.692 6.291 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1cccc(F)c1 ZINC000408754827 1071648771 /nfs/dbraw/zinc/64/87/71/1071648771.db2.gz LLAUQSGNNMAGLF-HZHRSRAPSA-N 0 2 549.396 5.871 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000408753722 1071656851 /nfs/dbraw/zinc/65/68/51/1071656851.db2.gz HMKHKTMIBLJDIX-LFVJCYFKSA-N 0 2 575.459 6.130 40 30 KKEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OCC ZINC000408752600 1071663256 /nfs/dbraw/zinc/66/32/56/1071663256.db2.gz IPKIZPKSOQFVQQ-MHWRWJLKSA-N 0 2 519.779 5.041 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OC)c1OCc1ccc(I)cc1 ZINC000408759574 1071701124 /nfs/dbraw/zinc/70/11/24/1071701124.db2.gz HHXRPANVLOTGFS-OEAKJJBVSA-N 0 2 687.328 6.345 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408758548 1071705044 /nfs/dbraw/zinc/70/50/44/1071705044.db2.gz MHEXOZWHGGSNRT-OEAKJJBVSA-N 0 2 606.429 5.648 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccccc1F ZINC000408766457 1071715034 /nfs/dbraw/zinc/71/50/34/1071715034.db2.gz QXCWIXSWUHWZSW-PXLXIMEGSA-N 0 2 549.396 5.871 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000408765639 1071723313 /nfs/dbraw/zinc/72/33/13/1071723313.db2.gz WXMAEEQUJCQGSB-BUVRLJJBSA-N 0 2 654.355 6.893 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408762691 1071734624 /nfs/dbraw/zinc/73/46/24/1071734624.db2.gz FREBAVQKSVMBTF-BUVRLJJBSA-N 0 2 620.456 6.038 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OC)c1OCc1ccccc1 ZINC000408762787 1071735174 /nfs/dbraw/zinc/73/51/74/1071735174.db2.gz QQILZPWXDPPZSM-HZHRSRAPSA-N 0 2 561.432 5.740 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000408775808 1071752566 /nfs/dbraw/zinc/75/25/66/1071752566.db2.gz UYHYSRCODIPTJG-PCLIKHOPSA-N 0 2 514.553 5.507 40 30 KKEBLN N#Cc1ccccc1COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1I ZINC000408774728 1071759557 /nfs/dbraw/zinc/75/95/57/1071759557.db2.gz QKPGHAFAJZEOAV-RGVLZGJSSA-N 0 2 583.769 5.062 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OCc1ccc2ccccc2c1 ZINC000408768381 1071800351 /nfs/dbraw/zinc/80/03/51/1071800351.db2.gz WTIKHDJQTKDWGO-WPWMEQJKSA-N 0 2 553.014 6.476 40 30 KKEBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCc4ccccc4C#N)c(Br)c3)C2=O)cc1 ZINC000408778739 1071834023 /nfs/dbraw/zinc/83/40/23/1071834023.db2.gz XXPLJLHTRWYYQZ-KEBDBYFISA-N 0 2 595.247 5.637 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408778288 1071837718 /nfs/dbraw/zinc/83/77/18/1071837718.db2.gz CVYDLRRDEYDSDY-LPYMAVHISA-N 0 2 585.871 7.019 40 30 KKEBLN CCOc1c(I)cc(/C=N/c2nc3c(s2)Cc2c-3c(OC)ccc2Br)cc1OC ZINC000409043691 1071857556 /nfs/dbraw/zinc/85/75/56/1071857556.db2.gz TVSHSOMLGIEHDI-YSURURNPSA-N 0 2 585.261 6.248 40 30 KKEBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCc4ccccc4C#N)c(I)c3)C2=O)c1 ZINC000408784238 1071866144 /nfs/dbraw/zinc/86/61/44/1071866144.db2.gz UXCSUCZBXKFJHM-UFFVCSGVSA-N 0 2 703.274 5.630 40 30 KKEBLN C=CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000409042667 1071868145 /nfs/dbraw/zinc/86/81/45/1071868145.db2.gz NZDJRYIRVFOMFG-NTUHNPAUSA-N 0 2 575.040 5.750 40 30 KKEBLN C=CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1Br ZINC000409049364 1071964953 /nfs/dbraw/zinc/96/49/53/1071964953.db2.gz WIJXVJAUBOJBPO-XYOKQWHBSA-N 0 2 540.595 5.096 40 30 KKEBLN C#CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000409048702 1071968248 /nfs/dbraw/zinc/96/82/48/1071968248.db2.gz UQSXBRAANJJGEJ-HYARGMPZSA-N 0 2 521.356 5.251 40 30 KKEBLN C=CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000409047834 1071976165 /nfs/dbraw/zinc/97/61/65/1071976165.db2.gz PRRVAZWNFLHOHZ-OQLLNIDSSA-N 0 2 585.046 5.205 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409066347 1071994132 /nfs/dbraw/zinc/99/41/32/1071994132.db2.gz AFTYBXGRBCJNFV-YDZHTSKRSA-N 0 2 561.978 5.539 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000409066748 1072001791 /nfs/dbraw/zinc/00/17/91/1072001791.db2.gz CJCGYXRNJWCXSN-LPYMAVHISA-N 0 2 537.399 5.976 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409066160 1072005233 /nfs/dbraw/zinc/00/52/33/1072005233.db2.gz KDOCJEKHKSVKEG-BUVRLJJBSA-N 0 2 532.980 5.418 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccccc1 ZINC000409064742 1072012369 /nfs/dbraw/zinc/01/23/69/1072012369.db2.gz FSOAKMQHLRCXKT-MWAVMZGNSA-N 0 2 638.698 5.827 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000409064075 1072017559 /nfs/dbraw/zinc/01/75/59/1072017559.db2.gz BLJXHUNEUCHSTR-ZVHZXABRSA-N 0 2 565.453 6.674 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000409064123 1072018048 /nfs/dbraw/zinc/01/80/48/1072018048.db2.gz BSXCPWDFLPUMLZ-AJBULDERSA-N 0 2 667.556 7.401 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OCC)c1OS(=O)(=O)c1ccccc1 ZINC000409063639 1072020167 /nfs/dbraw/zinc/02/01/67/1072020167.db2.gz DCOFUKSROHWJJY-HZHRSRAPSA-N 0 2 581.046 5.210 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000409075614 1072059021 /nfs/dbraw/zinc/05/90/21/1072059021.db2.gz ZEKSREMTDRYSMO-LPYMAVHISA-N 0 2 569.416 6.505 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000409075060 1072063854 /nfs/dbraw/zinc/06/38/54/1072063854.db2.gz STFJSMWUQBFFIH-OEAKJJBVSA-N 0 2 551.426 6.366 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000409074901 1072065566 /nfs/dbraw/zinc/06/55/66/1072065566.db2.gz NXEUYHHPUAVVDM-TURZUDJPSA-N 0 2 532.596 6.212 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OC)c1OCCC ZINC000409072999 1072079073 /nfs/dbraw/zinc/07/90/73/1072079073.db2.gz FSUPBFXFSNEMSM-NLRVBDNBSA-N 0 2 526.589 5.458 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000409072803 1072079429 /nfs/dbraw/zinc/07/94/29/1072079429.db2.gz DQAHNYARELZLED-HZHRSRAPSA-N 0 2 565.453 6.674 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409072424 1072083135 /nfs/dbraw/zinc/08/31/35/1072083135.db2.gz RWWIFJFSOVGUKD-HZHRSRAPSA-N 0 2 601.464 5.555 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OCC)c1OC ZINC000409071816 1072087119 /nfs/dbraw/zinc/08/71/19/1072087119.db2.gz QAFNOYRQBVTILE-KOEQRZSOSA-N 0 2 512.562 5.068 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000409071076 1072091784 /nfs/dbraw/zinc/09/17/84/1072091784.db2.gz NCZFSQNVAPLOMJ-WGOQTCKBSA-N 0 2 601.486 7.519 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409071004 1072092843 /nfs/dbraw/zinc/09/28/43/1072092843.db2.gz HWRQLFVAOPYTMN-SSDVNMTOSA-N 0 2 585.871 6.938 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000409070673 1072094516 /nfs/dbraw/zinc/09/45/16/1072094516.db2.gz GIPAWAZDSDYVBP-PCLIKHOPSA-N 0 2 575.017 5.499 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000409069063 1072106821 /nfs/dbraw/zinc/10/68/21/1072106821.db2.gz URFIPSWHSLIBSA-JVWAILMASA-N 0 2 553.014 6.476 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000409069161 1072104923 /nfs/dbraw/zinc/10/49/23/1072104923.db2.gz HXTRJDMFMDOQLK-WPWMEQJKSA-N 0 2 534.568 5.528 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000409069231 1072105904 /nfs/dbraw/zinc/10/59/04/1072105904.db2.gz IDPRAPKHWCAVCJ-ZVHZXABRSA-N 0 2 516.981 5.631 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409068564 1072109819 /nfs/dbraw/zinc/10/98/19/1072109819.db2.gz UHGXASLPHCDKPH-YZSQISJMSA-N 0 2 526.589 5.376 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000409068621 1072110234 /nfs/dbraw/zinc/11/02/34/1072110234.db2.gz HJIALFHSDFUYPW-FSJBWODESA-N 0 2 596.423 6.274 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000409068618 1072110269 /nfs/dbraw/zinc/11/02/69/1072110269.db2.gz HJFCITIAIOOLLX-ZVHZXABRSA-N 0 2 581.452 6.375 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409079903 1072130364 /nfs/dbraw/zinc/13/03/64/1072130364.db2.gz CDHLIKDRHLGTFQ-UDWIEESQSA-N 0 2 646.372 6.572 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409086234 1072168050 /nfs/dbraw/zinc/16/80/50/1072168050.db2.gz YSOKPDSOROUNGF-LDADJPATSA-N 0 2 601.921 6.463 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409083191 1072203035 /nfs/dbraw/zinc/20/30/35/1072203035.db2.gz NSGKDJRMHYPYGQ-KGENOOAVSA-N 0 2 558.503 5.089 40 30 KKEBLN C=CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)c2C)cc1 ZINC000409094840 1072242989 /nfs/dbraw/zinc/24/29/89/1072242989.db2.gz GJXJHWFKZKXFBR-XSFVSMFZSA-N 0 2 510.377 5.632 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409091839 1072268362 /nfs/dbraw/zinc/26/83/62/1072268362.db2.gz SITYBVFSIMZZBG-CIAFOILYSA-N 0 2 629.975 7.161 40 30 KKEBLN O=c1c2cc(Br)ccc2nc(C2CCCCC2)n1N=Cc1cc(Br)c(O)c(Br)c1 ZINC000409323489 1072274176 /nfs/dbraw/zinc/27/41/76/1072274176.db2.gz PFBKTQNNXSXGBQ-UHFFFAOYSA-N 0 2 584.106 6.320 40 30 KKEBLN COc1cc(C=C2SC(=N)C(c3nccs3)=C2O)c(Br)cc1OCc1ccccc1 ZINC000409336568 1072331143 /nfs/dbraw/zinc/33/11/43/1072331143.db2.gz PSLWPMZIUQSHTE-JAEIXQISSA-N 0 2 501.427 5.911 40 30 KKEBLN N=C1SC(=Cc2cc(I)c(OCc3ccccc3)c(I)c2)C(O)=C1c1nccs1 ZINC000409336228 1072332784 /nfs/dbraw/zinc/33/27/84/1072332784.db2.gz MQBLBJKFPAQPKD-WFKOEOBASA-N 0 2 644.297 6.349 40 30 KKEBLN CCc1nnc(C2=C(O)C(=Cc3cc(Br)c(OCc4ccccc4)c(OC)c3)SC2=N)s1 ZINC000409333805 1072352091 /nfs/dbraw/zinc/35/20/91/1072352091.db2.gz CZAUVVBUAAFBDX-VYSGPABOSA-N 0 2 530.469 5.868 40 30 KKEBLN CCc1nnc(C2=C(O)C(=Cc3ccc(OCc4ccc(Br)cc4)c(Br)c3)SC2=N)s1 ZINC000409336962 1072406456 /nfs/dbraw/zinc/40/64/56/1072406456.db2.gz ROLXRRWMXGWJPM-ZZOVDFBMSA-N 0 2 579.339 6.622 40 30 KKEBLN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1ccccc1C#N ZINC000409399452 1072749619 /nfs/dbraw/zinc/74/96/19/1072749619.db2.gz ISJBIEUYMLRXCZ-NDENLUEZSA-N 0 2 552.812 5.413 40 30 KKEBLN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Br)c(O)c(Br)c1 ZINC001531169391 1072951937 /nfs/dbraw/zinc/95/19/37/1072951937.db2.gz GTAZMKFILPZCKW-AQHIEDMUSA-N 0 2 558.068 5.569 40 30 KKEBLN CCOc1cccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4sc5c(c4C#N)CCCC5)c3C)C2=O)c1 ZINC000002302943 551808445 /nfs/dbraw/zinc/80/84/45/551808445.db2.gz RQVKLOFNNKOMDR-LPYMAVHISA-N 0 2 514.607 5.812 40 30 KKEBLN N#Cc1ccccc1COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Cl ZINC000002262694 552084948 /nfs/dbraw/zinc/08/49/48/552084948.db2.gz UKFRXDSFYRYLDF-OCKHKDLRSA-N 0 2 510.308 5.250 40 30 KKEBLN Cc1c(Br)c(O)c(Br)c(O)c1/C=N/c1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 ZINC000003083449 552285846 /nfs/dbraw/zinc/28/58/46/552285846.db2.gz XVOJBQQDOSKVQJ-MWRNPHMMSA-N 0 2 571.052 7.797 40 30 KKEBLN Cc1ccc2nc(-c3cc(/N=C/c4cc(Br)cc(Br)c4O)ccc3O)oc2c1 ZINC000003193360 552302677 /nfs/dbraw/zinc/30/26/77/552302677.db2.gz UHBMKEJKDOZDDB-YSURURNPSA-N 0 2 502.162 6.490 40 30 KKEBLN Cc1ccc(Nc2ccc(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)c(Nc3ccc(/N=C\c4cc([N+](=O)[O-])ccc4O)cc3)c2)cc1 ZINC000004558518 552467255 /nfs/dbraw/zinc/46/72/55/552467255.db2.gz MGGCVYXREGKWFR-FDUMAKPYSA-N 0 2 670.563 8.411 40 30 KKEBLN COc1cc(Br)c(Br)c(C=NN=c2nc(Nc3ccccc3)[nH]c(Nc3ccccc3)n2)c1O ZINC000006136318 552541396 /nfs/dbraw/zinc/54/13/96/552541396.db2.gz ZSDXCPUYNWBPBA-LGJNPRDNSA-N 0 2 585.260 6.044 40 30 KKEBLN CCOc1ccccc1/N=C1/SC(CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000006270948 552575853 /nfs/dbraw/zinc/57/58/53/552575853.db2.gz CREAZIMLOXVTHB-ZSUDGOGXSA-N 0 2 538.025 5.628 40 30 KKEBLN CCOc1ccccc1/N=C1/S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000006270948 552575855 /nfs/dbraw/zinc/57/58/55/552575855.db2.gz CREAZIMLOXVTHB-ZSUDGOGXSA-N 0 2 538.025 5.628 40 30 KKEBLN CCOc1ccccc1/N=C1/SC(CC(=O)Nc2ccc(OC)cc2OC)C(=O)N1CCC1=CCCCC1 ZINC000008693864 553118856 /nfs/dbraw/zinc/11/88/56/553118856.db2.gz TZKJBEKVGWESCA-RYRBQSRMSA-N 0 2 537.682 5.953 40 30 KKEBLN CCOc1ccccc1/N=C1/S[C@H](CC(=O)Nc2ccc(OC)cc2OC)C(=O)N1CCC1=CCCCC1 ZINC000008693864 553118860 /nfs/dbraw/zinc/11/88/60/553118860.db2.gz TZKJBEKVGWESCA-RYRBQSRMSA-N 0 2 537.682 5.953 40 30 KKEBLN CCCOc1ccc(NC(=O)CC2S/C(=N\N=C\c3ccc(-c4ccccc4Cl)o3)NC2=O)cc1 ZINC000012566928 553397388 /nfs/dbraw/zinc/39/73/88/553397388.db2.gz MPTVVFBUGAQSQX-TVYAFPLLSA-N 0 2 511.003 5.339 40 30 KKEBLN CCCOc1ccc(NC(=O)C[C@H]2S/C(=N\N=C\c3ccc(-c4ccccc4Cl)o3)NC2=O)cc1 ZINC000012566928 553397389 /nfs/dbraw/zinc/39/73/89/553397389.db2.gz MPTVVFBUGAQSQX-TVYAFPLLSA-N 0 2 511.003 5.339 40 30 KKEBLN Cc1ccc(NC(=O)CC2S/C(=N\N=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)NC2=O)cc1 ZINC000012566924 553397393 /nfs/dbraw/zinc/39/73/93/553397393.db2.gz QTKOPTSTSFDFAO-HTHFWCIQSA-N 0 2 501.395 5.512 40 30 KKEBLN Cc1ccc(NC(=O)C[C@@H]2S/C(=N\N=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)NC2=O)cc1 ZINC000012566924 553397394 /nfs/dbraw/zinc/39/73/94/553397394.db2.gz QTKOPTSTSFDFAO-HTHFWCIQSA-N 0 2 501.395 5.512 40 30 KKEBLN CC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1)c1ccc(OC(F)F)cc1 ZINC000012601158 553401885 /nfs/dbraw/zinc/40/18/85/553401885.db2.gz ZRQREPVGJXZRIP-DHRITJCHSA-N 0 2 510.906 5.487 40 30 KKEBLN Cc1ccc(C)c(/N=C2\SC(CC(=O)Nc3c(C)cccc3C)C(=O)N2Cc2ccc3c(c2)OCO3)c1 ZINC000012616230 553402769 /nfs/dbraw/zinc/40/27/69/553402769.db2.gz WBGJCSVHAWSHQP-WFZJQDAOSA-N 0 2 515.635 5.809 40 30 KKEBLN Cc1ccc(C)c(/N=C2\S[C@H](CC(=O)Nc3c(C)cccc3C)C(=O)N2Cc2ccc3c(c2)OCO3)c1 ZINC000012616230 553402770 /nfs/dbraw/zinc/40/27/70/553402770.db2.gz WBGJCSVHAWSHQP-WFZJQDAOSA-N 0 2 515.635 5.809 40 30 KKEBLN COc1ccc(N=C2SC(CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000012647897 553409097 /nfs/dbraw/zinc/40/90/97/553409097.db2.gz YPYMCUUNXAWPJW-IOYDYCAWSA-N 0 2 522.026 5.712 40 30 KKEBLN COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000012647897 553409100 /nfs/dbraw/zinc/40/91/00/553409100.db2.gz YPYMCUUNXAWPJW-IOYDYCAWSA-N 0 2 522.026 5.712 40 30 KKEBLN CCC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cc1C)c1ccc(OC(F)F)cc1 ZINC000012652719 553410071 /nfs/dbraw/zinc/41/00/71/553410071.db2.gz CZLFIGDNDXAETC-NHFJDJAPSA-N 0 2 518.542 5.840 40 30 KKEBLN Cc1ccccc1/N=C1\SC(CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000015911473 553541290 /nfs/dbraw/zinc/54/12/90/553541290.db2.gz DLGPUDZNSOQOLI-PCKLGSBKSA-N 0 2 509.534 5.162 40 30 KKEBLN Cc1ccccc1/N=C1\S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000015911473 553541293 /nfs/dbraw/zinc/54/12/93/553541293.db2.gz DLGPUDZNSOQOLI-PCKLGSBKSA-N 0 2 509.534 5.162 40 30 KKEBLN Cc1c(Cl)cccc1NC(=O)CC1S/C(=N\c2cccc3ccccc32)N(C[C@@H]2CCCO2)C1=O ZINC000015911464 553541300 /nfs/dbraw/zinc/54/13/00/553541300.db2.gz PERCQBCSDLQIGM-KLMUMINNSA-N 0 2 508.043 5.941 40 30 KKEBLN Cc1c(Cl)cccc1NC(=O)C[C@H]1S/C(=N\c2cccc3ccccc32)N(C[C@@H]2CCCO2)C1=O ZINC000015911464 553541302 /nfs/dbraw/zinc/54/13/02/553541302.db2.gz PERCQBCSDLQIGM-KLMUMINNSA-N 0 2 508.043 5.941 40 30 KKEBLN CCOc1ccccc1/N=C1\SC(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1[C@@H](C)C(C)C ZINC000015911814 553541481 /nfs/dbraw/zinc/54/14/81/553541481.db2.gz YTQQSZLODSIQIQ-XBMAWMAZSA-N 0 2 519.023 5.652 40 30 KKEBLN CCOc1ccccc1/N=C1\S[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1[C@@H](C)C(C)C ZINC000015911814 553541482 /nfs/dbraw/zinc/54/14/82/553541482.db2.gz YTQQSZLODSIQIQ-XBMAWMAZSA-N 0 2 519.023 5.652 40 30 KKEBLN O=C(CC1S/C(=N\c2ccc(OC(F)F)cc2)N(C[C@@H]2CCCO2)C1=O)Nc1ccc(Cl)cc1 ZINC000015913080 553541823 /nfs/dbraw/zinc/54/18/23/553541823.db2.gz SPUOMORIGMEDHS-NVWNURJESA-N 0 2 509.962 5.081 40 30 KKEBLN O=C(C[C@@H]1S/C(=N\c2ccc(OC(F)F)cc2)N(C[C@@H]2CCCO2)C1=O)Nc1ccc(Cl)cc1 ZINC000015913080 553541826 /nfs/dbraw/zinc/54/18/26/553541826.db2.gz SPUOMORIGMEDHS-NVWNURJESA-N 0 2 509.962 5.081 40 30 KKEBLN CCCC(=O)c1ccccc1C(c1cc(Br)c(O)c(Br)c1)=C1C=C(Br)C(=O)C(Br)=C1 ZINC000097949392 553801662 /nfs/dbraw/zinc/80/16/62/553801662.db2.gz DIGQODDWPRJPIN-UHFFFAOYSA-N 0 2 659.994 7.842 40 30 KKEBLN Cc1cc(/N=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2O)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032111991 553863813 /nfs/dbraw/zinc/86/38/13/553863813.db2.gz WBZIZUNKPRMLHB-FDAWAROLSA-N 0 2 505.530 6.949 40 30 KKEBLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC(C)c2ccc(Cl)c(Cl)c2)cc1 ZINC000033438064 553960413 /nfs/dbraw/zinc/96/04/13/553960413.db2.gz LVHSNKUFTPKDSR-CFRMEGHHSA-N 0 2 509.371 5.547 40 30 KKEBLN COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccccc1C#N ZINC000097972339 553966631 /nfs/dbraw/zinc/96/66/31/553966631.db2.gz OFGRZAQYCQPCLB-MTJSOVHGSA-N 0 2 532.350 5.415 40 30 KKEBLN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC2C[C@@H](c3ccccc3)Oc3ccccc32)c(C)c1 ZINC000097980770 553990545 /nfs/dbraw/zinc/99/05/45/553990545.db2.gz ZVBJCLMGFNMNSC-WCKLRORHSA-N 0 2 542.617 6.352 40 30 KKEBLN Cc1cccc(/N=C2\SC(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C(=O)N2Cc2ccccc2)c1C ZINC000097981992 553998849 /nfs/dbraw/zinc/99/88/49/553998849.db2.gz LXPCRFGWEWIOEM-GSFTWEQGSA-N 0 2 546.014 7.136 40 30 KKEBLN Cc1cccc(/N=C2\S[C@H](CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C(=O)N2Cc2ccccc2)c1C ZINC000097981992 553998853 /nfs/dbraw/zinc/99/88/53/553998853.db2.gz LXPCRFGWEWIOEM-GSFTWEQGSA-N 0 2 546.014 7.136 40 30 KKEBLN Cc1ccc(C)c(/N=C2\SC(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2[C@H](C)CCC(C)C)c1 ZINC000097982014 553998886 /nfs/dbraw/zinc/99/88/86/553998886.db2.gz AVEUUKGDFDXQJS-AHTBQGHCSA-N 0 2 554.971 8.049 40 30 KKEBLN Cc1ccc(C)c(/N=C2\S[C@@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2[C@H](C)CCC(C)C)c1 ZINC000097982014 553998889 /nfs/dbraw/zinc/99/88/89/553998889.db2.gz AVEUUKGDFDXQJS-AHTBQGHCSA-N 0 2 554.971 8.049 40 30 KKEBLN Cc1ccc(NC(=O)CC2S/C(=N\c3ccc(OC(F)F)cc3)N([C@@H](C)CCC(C)C)C2=O)c([N+](=O)[O-])c1 ZINC000097982038 553999143 /nfs/dbraw/zinc/99/91/43/553999143.db2.gz KNXVOFOQNUXTSD-DBJLWCDTSA-N 0 2 548.612 6.290 40 30 KKEBLN Cc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccc(OC(F)F)cc3)N([C@@H](C)CCC(C)C)C2=O)c([N+](=O)[O-])c1 ZINC000097982038 553999150 /nfs/dbraw/zinc/99/91/50/553999150.db2.gz KNXVOFOQNUXTSD-DBJLWCDTSA-N 0 2 548.612 6.290 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N/c3ccc(OC(F)F)cc3)N(C[C@H]3CCCO3)C2=O)cc1Cl ZINC000097982035 553999273 /nfs/dbraw/zinc/99/92/73/553999273.db2.gz SZEIRBUHWPUFNT-JCYWUEDRSA-N 0 2 539.988 5.089 40 30 KKEBLN COc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(OC(F)F)cc3)N(C[C@H]3CCCO3)C2=O)cc1Cl ZINC000097982035 553999276 /nfs/dbraw/zinc/99/92/76/553999276.db2.gz SZEIRBUHWPUFNT-JCYWUEDRSA-N 0 2 539.988 5.089 40 30 KKEBLN CCOc1ccc(/N=C2/SC(CC(=O)Nc3ccc(Oc4ccccc4)cc3)C(=O)N2Cc2ccccc2)cc1 ZINC000097982073 553999463 /nfs/dbraw/zinc/99/94/63/553999463.db2.gz MRKKSYIYDSWOPR-PJYXZHBHSA-N 0 2 551.668 7.038 40 30 KKEBLN CCOc1ccc(/N=C2/S[C@H](CC(=O)Nc3ccc(Oc4ccccc4)cc3)C(=O)N2Cc2ccccc2)cc1 ZINC000097982073 553999468 /nfs/dbraw/zinc/99/94/68/553999468.db2.gz MRKKSYIYDSWOPR-PJYXZHBHSA-N 0 2 551.668 7.038 40 30 KKEBLN C[C@H](Sc1nc2ccc(/N=C/c3cc(Br)c(O)c(Br)c3)cc2s1)C(=O)Nc1nccs1 ZINC000100097365 554218968 /nfs/dbraw/zinc/21/89/68/554218968.db2.gz NOMJENMTAUSRGE-OEXWIMQBSA-N 0 2 598.367 6.853 40 30 KKEBLN COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000059135227 554381199 /nfs/dbraw/zinc/38/11/99/554381199.db2.gz XGRPCCOMQIFQEY-KEBDBYFISA-N 0 2 505.889 5.445 40 30 KKEBLN C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000059135607 554381568 /nfs/dbraw/zinc/38/15/68/554381568.db2.gz UITCNRHJBPQBIA-BUVRLJJBSA-N 0 2 518.516 6.178 40 30 KKEBLN C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1ccccc1F ZINC000059135578 554381660 /nfs/dbraw/zinc/38/16/60/554381660.db2.gz XBHNDGRPRNSBRV-HYARGMPZSA-N 0 2 504.489 5.788 40 30 KKEBLN C=CCOc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2C)cc1 ZINC000059198231 554384751 /nfs/dbraw/zinc/38/47/51/554384751.db2.gz NIUIIAQGKYETAG-HZHRSRAPSA-N 0 2 520.383 5.928 40 30 KKEBLN O=C(CSc1nc2ccc(/N=C/c3ccc(O)c([N+](=O)[O-])c3)cc2s1)Nc1ccccc1C(F)(F)F ZINC000100455384 554395944 /nfs/dbraw/zinc/39/59/44/554395944.db2.gz CPBUQVJQPVVLKC-LUOAPIJWSA-N 0 2 532.525 6.410 40 30 KKEBLN O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc3nc(S[C@H](c4ccccc4)c4ccc(Cl)cc4)sc3c2)c1 ZINC000100457376 554396652 /nfs/dbraw/zinc/39/66/52/554396652.db2.gz WCFYZDHVWHMYFU-QLPUOYLQSA-N 0 2 532.046 8.196 40 30 KKEBLN N#CC(C#N)[C@@H](c1c(=O)n(-c2nc(-c3ccccc3)cs2)[nH]c1-c1ccccc1)c1ccc(Br)cc1 ZINC000100553804 554415805 /nfs/dbraw/zinc/41/58/05/554415805.db2.gz MUBJBPKFIQUDBL-DEOSSOPVSA-N 0 2 552.457 6.926 40 30 KKEBLN CCOc1ccccc1/N=C1\SC(CC(=O)Nc2ccc(OC)cc2OC)C(=O)N1CCC1=CCCCC1 ZINC000100591981 554428750 /nfs/dbraw/zinc/42/87/50/554428750.db2.gz TZKJBEKVGWESCA-NFMXCSJRSA-N 0 2 537.682 5.953 40 30 KKEBLN CCOc1ccccc1/N=C1\S[C@@H](CC(=O)Nc2ccc(OC)cc2OC)C(=O)N1CCC1=CCCCC1 ZINC000100591981 554428755 /nfs/dbraw/zinc/42/87/55/554428755.db2.gz TZKJBEKVGWESCA-NFMXCSJRSA-N 0 2 537.682 5.953 40 30 KKEBLN CCOc1ccccc1/N=C1\SC(CC(=O)Nc2ccc(OC)cc2OC)C(=O)N1CCC1=CCCCC1 ZINC000100591985 554428847 /nfs/dbraw/zinc/42/88/47/554428847.db2.gz TZKJBEKVGWESCA-XDNZSQCXSA-N 0 2 537.682 5.953 40 30 KKEBLN CCOc1ccccc1/N=C1\S[C@H](CC(=O)Nc2ccc(OC)cc2OC)C(=O)N1CCC1=CCCCC1 ZINC000100591985 554428849 /nfs/dbraw/zinc/42/88/49/554428849.db2.gz TZKJBEKVGWESCA-XDNZSQCXSA-N 0 2 537.682 5.953 40 30 KKEBLN CCc1ccc(S(=O)(=O)/N=C2/S[C@H](CC(=O)Nc3ccc(Cl)cc3)C(=O)N2c2ccccc2)cc1 ZINC000100973070 554544984 /nfs/dbraw/zinc/54/49/84/554544984.db2.gz DSGQNEKYYDCMCJ-ZAROTGLESA-N 0 2 528.055 5.125 40 30 KKEBLN C=CCSc1nnc2c(n1)O[C@H](c1cc(Br)c(O)c(Br)c1)Nc1ccccc1-2 ZINC000101002560 554553074 /nfs/dbraw/zinc/55/30/74/554553074.db2.gz MTFVTQLTDYGYSG-QGZVFWFLSA-N 0 2 522.222 5.550 40 30 KKEBLN CCc1ccc(S(=O)(=O)/N=C2/SC(CC(=O)Nc3ccc(Cl)cc3)C(=O)N2C2CCCCC2)cc1 ZINC000101042882 554567948 /nfs/dbraw/zinc/56/79/48/554567948.db2.gz BVOOJBWQMAXMLQ-FPCFPJRVSA-N 0 2 534.103 5.253 40 30 KKEBLN Cc1ccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3ccc(Cl)s3)N(C3CCCCC3)C2=O)cc1 ZINC000101043105 554568184 /nfs/dbraw/zinc/56/81/84/554568184.db2.gz TXUAVKLOCXOMSD-WAVOGARWSA-N 0 2 526.105 5.060 40 30 KKEBLN COC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC[C@H]3[C@@]4(C)CCC(=NOC(=O)C[C@@H]5SC(=O)NC5=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000101262643 554697664 /nfs/dbraw/zinc/69/76/64/554697664.db2.gz NAXBQOBKRFCYKY-PTJSOBJVSA-N 0 2 640.887 7.602 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000101494119 554786525 /nfs/dbraw/zinc/78/65/25/554786525.db2.gz BSLKSSCLRZQTSY-OEAKJJBVSA-N 0 2 581.850 6.085 40 30 KKEBLN CCOc1ccc(NC(=O)CC2S/C(=N/c3ccc(OC(F)(F)Cl)cc3)N(Cc3ccccc3)C2=O)cc1 ZINC000101662838 554822065 /nfs/dbraw/zinc/82/20/65/554822065.db2.gz ZUCLNYBEBGIRDS-IENMMRBYSA-N 0 2 560.022 6.414 40 30 KKEBLN CCOc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(OC(F)(F)Cl)cc3)N(Cc3ccccc3)C2=O)cc1 ZINC000101662838 554822068 /nfs/dbraw/zinc/82/20/68/554822068.db2.gz ZUCLNYBEBGIRDS-IENMMRBYSA-N 0 2 560.022 6.414 40 30 KKEBLN O=C(CC1S/C(=N\c2ccc(Cl)cc2)N(C(c2ccccc2)c2ccccc2)C1=O)Nc1ccc(F)cc1 ZINC000102406837 554921360 /nfs/dbraw/zinc/92/13/60/554921360.db2.gz IJWPIOCAHRXVON-HOOQFZJHSA-N 0 2 544.051 7.229 40 30 KKEBLN O=C(C[C@@H]1S/C(=N\c2ccc(Cl)cc2)N(C(c2ccccc2)c2ccccc2)C1=O)Nc1ccc(F)cc1 ZINC000102406837 554921362 /nfs/dbraw/zinc/92/13/62/554921362.db2.gz IJWPIOCAHRXVON-HOOQFZJHSA-N 0 2 544.051 7.229 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N2CCc2ccc(F)cc2)cc1 ZINC000102407960 554922233 /nfs/dbraw/zinc/92/22/33/554922233.db2.gz KJUCWHIMYFDYBP-LBAGTPMLSA-N 0 2 588.488 6.512 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@@H](CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N2CCc2ccc(F)cc2)cc1 ZINC000102407960 554922235 /nfs/dbraw/zinc/92/22/35/554922235.db2.gz KJUCWHIMYFDYBP-LBAGTPMLSA-N 0 2 588.488 6.512 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3ccc(OCC)cc3)C(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000102407943 554922252 /nfs/dbraw/zinc/92/22/52/554922252.db2.gz RCGPUTLCAGFACJ-PYMNRZMWSA-N 0 2 575.687 5.474 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(OCC)cc3)C(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000102407943 554922255 /nfs/dbraw/zinc/92/22/55/554922255.db2.gz RCGPUTLCAGFACJ-PYMNRZMWSA-N 0 2 575.687 5.474 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2/SC(CC(=O)Nc3cccc(OCC)c3)C(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000102407987 554922529 /nfs/dbraw/zinc/92/25/29/554922529.db2.gz CFEHJOFVKUQEML-JIOKKKKCSA-N 0 2 566.079 6.076 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2/S[C@@H](CC(=O)Nc3cccc(OCC)c3)C(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000102407987 554922530 /nfs/dbraw/zinc/92/25/30/554922530.db2.gz CFEHJOFVKUQEML-JIOKKKKCSA-N 0 2 566.079 6.076 40 30 KKEBLN CCOC(=O)c1ccc(NC(=O)CC2S/C(=N\c3ccc(C(F)(F)F)cc3)N(Cc3ccccc3)C2=O)cc1 ZINC000102408053 554922566 /nfs/dbraw/zinc/92/25/66/554922566.db2.gz KAHKIBSQEUVLNM-XGNCBHKFSA-N 0 2 555.578 6.043 40 30 KKEBLN CCOC(=O)c1ccc(NC(=O)C[C@H]2S/C(=N\c3ccc(C(F)(F)F)cc3)N(Cc3ccccc3)C2=O)cc1 ZINC000102408053 554922567 /nfs/dbraw/zinc/92/25/67/554922567.db2.gz KAHKIBSQEUVLNM-XGNCBHKFSA-N 0 2 555.578 6.043 40 30 KKEBLN COC(=O)c1ccc(NC(=O)CC2S/C(=N\c3ccc(Cl)cc3)N(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000102408085 554922568 /nfs/dbraw/zinc/92/25/68/554922568.db2.gz BYGGGTYDWYRORS-DQHMDIJASA-N 0 2 538.025 5.296 40 30 KKEBLN COC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccc(Cl)cc3)N(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000102408085 554922569 /nfs/dbraw/zinc/92/25/69/554922569.db2.gz BYGGGTYDWYRORS-DQHMDIJASA-N 0 2 538.025 5.296 40 30 KKEBLN COc1cccc(/N=C2\SC(CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])C(=O)N2CCc2c[nH]c3ccccc23)c1 ZINC000102909107 555141950 /nfs/dbraw/zinc/14/19/50/555141950.db2.gz VVURCXOXWDMZNY-XDNZSQCXSA-N 0 2 573.631 5.296 40 30 KKEBLN COc1cccc(/N=C2\S[C@H](CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])C(=O)N2CCc2c[nH]c3ccccc23)c1 ZINC000102909107 555141952 /nfs/dbraw/zinc/14/19/52/555141952.db2.gz VVURCXOXWDMZNY-XDNZSQCXSA-N 0 2 573.631 5.296 40 30 KKEBLN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/N=C2\NC(=O)C(CC(=O)Nc3ccc(C)cc3C)S2)cc1F ZINC000102923790 555148193 /nfs/dbraw/zinc/14/81/93/555148193.db2.gz RJJSUTPETGAMRT-ATSFVSDYSA-N 0 2 612.731 6.424 40 30 KKEBLN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/N=C2\NC(=O)[C@@H](CC(=O)Nc3ccc(C)cc3C)S2)cc1F ZINC000102923790 555148196 /nfs/dbraw/zinc/14/81/96/555148196.db2.gz RJJSUTPETGAMRT-ATSFVSDYSA-N 0 2 612.731 6.424 40 30 KKEBLN Cc1ccc(/N=C2\SC(CC(=O)Nc3ccccc3Br)C(=O)N2Cc2ccccn2)cc1Cl ZINC000102962067 555178328 /nfs/dbraw/zinc/17/83/28/555178328.db2.gz WYMVHIHUNFEECT-OKPNVDCHSA-N 0 2 543.874 5.966 40 30 KKEBLN Cc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccccc3Br)C(=O)N2Cc2ccccn2)cc1Cl ZINC000102962067 555178331 /nfs/dbraw/zinc/17/83/31/555178331.db2.gz WYMVHIHUNFEECT-OKPNVDCHSA-N 0 2 543.874 5.966 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N\c3cccc(Cl)c3C)N(CCc3ccc(Cl)cc3)C2=O)cc1Cl ZINC000102962479 555178687 /nfs/dbraw/zinc/17/86/87/555178687.db2.gz NZEYIAQYRMIRQT-ALSWYTTLSA-N 0 2 576.933 7.167 40 30 KKEBLN COc1ccc(NC(=O)C[C@H]2S/C(=N\c3cccc(Cl)c3C)N(CCc3ccc(Cl)cc3)C2=O)cc1Cl ZINC000102962479 555178690 /nfs/dbraw/zinc/17/86/90/555178690.db2.gz NZEYIAQYRMIRQT-ALSWYTTLSA-N 0 2 576.933 7.167 40 30 KKEBLN Cc1ccc(/N=C2\SC(CC(=O)Nc3cccc4ccccc43)C(=O)N2Cc2ccc3c(c2)OCO3)c(C)c1 ZINC000102962381 555178696 /nfs/dbraw/zinc/17/86/96/555178696.db2.gz SMVGXXHBNGQGDX-MLOWHTBOSA-N 0 2 537.641 6.346 40 30 KKEBLN Cc1ccc(/N=C2\S[C@@H](CC(=O)Nc3cccc4ccccc43)C(=O)N2Cc2ccc3c(c2)OCO3)c(C)c1 ZINC000102962381 555178698 /nfs/dbraw/zinc/17/86/98/555178698.db2.gz SMVGXXHBNGQGDX-MLOWHTBOSA-N 0 2 537.641 6.346 40 30 KKEBLN Cc1ccc(/N=C2/SC(CC(=O)Nc3ccc(Br)cc3)C(=O)N2CCC2=CCCCC2)c(C)c1 ZINC000102962434 555178745 /nfs/dbraw/zinc/17/87/45/555178745.db2.gz MPKNYAYRHODSFM-ZSUDGOGXSA-N 0 2 540.527 6.917 40 30 KKEBLN Cc1ccc(/N=C2\SC(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2C[C@@H]2CCCO2)c(C)c1 ZINC000102962415 555178758 /nfs/dbraw/zinc/17/87/58/555178758.db2.gz LFEUYMFDDBOWLH-LCOFQRJFSA-N 0 2 540.900 6.403 40 30 KKEBLN Cc1ccc(/N=C2\S[C@@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2C[C@@H]2CCCO2)c(C)c1 ZINC000102962415 555178759 /nfs/dbraw/zinc/17/87/59/555178759.db2.gz LFEUYMFDDBOWLH-LCOFQRJFSA-N 0 2 540.900 6.403 40 30 KKEBLN COc1ccccc1NS(=O)(=O)c1ccc(N=NCc2ccc(OCc3ccccc3)c(OC)c2)c([N+](=O)[O-])c1 ZINC000102983947 555190001 /nfs/dbraw/zinc/19/00/01/555190001.db2.gz UBDNOEQFPOLXIT-RDRPBHBLSA-N 0 2 562.604 5.438 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OCc1ccccc1C#N ZINC000103586768 555451872 /nfs/dbraw/zinc/45/18/72/555451872.db2.gz QFHZTKBQJFIWAM-CFRMEGHHSA-N 0 2 541.991 5.503 40 30 KKEBLN COc1ccc(-c2csc(-n3[nH]c(C)c([C@H](c4ccc(Br)cc4)C(C#N)C#N)c3=O)n2)cc1 ZINC000103621366 555456661 /nfs/dbraw/zinc/45/66/61/555456661.db2.gz HJLPUCHWIKSBPK-JOCHJYFZSA-N 0 2 520.412 5.576 40 30 KKEBLN Cc1cc(C)c(NC(=O)CSc2nc3ccc(/N=C/c4cc(Br)c(O)c(Br)c4)cc3s2)c(C)c1 ZINC000103746656 555466967 /nfs/dbraw/zinc/46/69/67/555466967.db2.gz BAAXGASWFFXOKV-IPBVOBEMSA-N 0 2 619.404 7.934 40 30 KKEBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccc(C#N)cc1 ZINC000103842449 571362505 /nfs/dbraw/zinc/36/25/05/571362505.db2.gz WNVDCHCMNQTDOQ-FJEPWZHXSA-N 0 2 544.655 6.100 40 30 KKEBLN N#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Br ZINC000103845052 571363136 /nfs/dbraw/zinc/36/31/36/571363136.db2.gz LZRRANNAHAMDFW-FSJBWODESA-N 0 2 560.448 5.486 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000103849155 571363970 /nfs/dbraw/zinc/36/39/70/571363970.db2.gz NHZZVFSPHFRRGW-BUVRLJJBSA-N 0 2 534.971 5.852 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000103859528 571367266 /nfs/dbraw/zinc/36/72/66/571367266.db2.gz AFISYJKPXGHWFP-BUVRLJJBSA-N 0 2 579.422 5.961 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1OCc1ccc2ccccc2c1 ZINC000103859555 571367292 /nfs/dbraw/zinc/36/72/92/571367292.db2.gz CNMZEOVSFJPLNQ-MTDXEUNCSA-N 0 2 611.492 6.975 40 30 KKEBLN Oc1c(Cl)cc(Cl)cc1CN=Nc1nnc(N=NCc2cc(Cl)cc(Cl)c2O)c2ccccc21 ZINC000104079651 571372399 /nfs/dbraw/zinc/37/23/99/571372399.db2.gz WAQIATXYLWKENY-RQKNQVODSA-N 0 2 536.206 6.547 40 30 KKEBLN N#Cc1c(/N=C/c2cc(I)c(O)c(I)c2)sc2c1CCCC2 ZINC000105509352 571406758 /nfs/dbraw/zinc/40/67/58/571406758.db2.gz UOPFSTXACHUXAD-DNTJNYDQSA-N 0 2 534.160 5.164 40 30 KKEBLN Cc1[nH]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1[C@@H](c1ccc(Br)cc1)C(C#N)C#N ZINC000105573099 571407626 /nfs/dbraw/zinc/40/76/26/571407626.db2.gz RCQDSNVOEROYFD-NRFANRHFSA-N 0 2 524.831 6.221 40 30 KKEBLN COc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 ZINC000106113395 571411378 /nfs/dbraw/zinc/41/13/78/571411378.db2.gz UIASAKVNMVBBJM-FSJBWODESA-N 0 2 501.293 5.299 40 30 KKEBLN Oc1ccc(-c2nc3cc(/N=C/c4cc(Cc5ccccc5Cl)cc(Br)c4O)ccc3o2)cc1Br ZINC000109503639 571429278 /nfs/dbraw/zinc/42/92/78/571429278.db2.gz FTCWGOSJUPSSAU-XAZZYMPDSA-N 0 2 612.705 8.426 40 30 KKEBLN CCOc1ccc(/N=C2\SC(CC(=O)Nc3cccc4ccccc43)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000112361669 571438530 /nfs/dbraw/zinc/43/85/30/571438530.db2.gz CLBCQJMOECOEBO-MVKRXISDSA-N 0 2 503.624 5.378 40 30 KKEBLN CCOc1ccc(/N=C2\S[C@H](CC(=O)Nc3cccc4ccccc43)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000112361669 571438533 /nfs/dbraw/zinc/43/85/33/571438533.db2.gz CLBCQJMOECOEBO-MVKRXISDSA-N 0 2 503.624 5.378 40 30 KKEBLN COC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)CO/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000118918268 571444577 /nfs/dbraw/zinc/44/45/77/571444577.db2.gz QEJFEIOBCOMMKR-XBYHGHKJSA-N 0 2 609.720 5.041 40 30 KKEBLN CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C(=O)[C@@H](Sc2nc3ccccc3s2)C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1 ZINC000150382473 571467214 /nfs/dbraw/zinc/46/72/14/571467214.db2.gz GULZKOHYUFAIPP-RRHRGVEJSA-N 0 2 802.072 11.052 40 30 KKEBLN CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C(O)=C(Sc2nc3ccccc3s2)C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1 ZINC000150382473 571467216 /nfs/dbraw/zinc/46/72/16/571467216.db2.gz GULZKOHYUFAIPP-RRHRGVEJSA-N 0 2 802.072 11.052 40 30 KKEBLN O=S(=O)(Nc1cc(Cl)c(Cl)cc1/N=C/c1cc(I)cc(I)c1O)c1ccccc1 ZINC000150382866 571467490 /nfs/dbraw/zinc/46/74/90/571467490.db2.gz DBPZVDIFEVHPBQ-YSURURNPSA-N 0 2 673.097 6.460 40 30 KKEBLN CC1(C)CC[C@]2(C(=O)N3CCOCC3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=NOC(=O)C[C@@H]6SC(=O)NC6=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1 ZINC000150432974 571494554 /nfs/dbraw/zinc/49/45/54/571494554.db2.gz WJRJONZDINDKQJ-REOOCOKASA-N 0 2 695.967 7.288 40 30 KKEBLN COc1ccc(C(=O)/C=C\c2ccc(OCCCCCCCCCCOc3ccc(/C=C/C(=O)c4ccc(OC)c(OC)c4)cc3)cc2)c(OC)c1 ZINC000150441059 571498223 /nfs/dbraw/zinc/49/82/23/571498223.db2.gz VDLPOXWIQQDDGZ-YPVOTUFQSA-N 0 2 706.876 10.092 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000164340913 571545982 /nfs/dbraw/zinc/54/59/82/571545982.db2.gz HSHFAFMBTFUEKX-VTNSRFBWSA-N 0 2 681.627 7.899 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OC)c1OCc1ccc2ccccc2c1 ZINC000164336538 571546130 /nfs/dbraw/zinc/54/61/30/571546130.db2.gz CGKKZCRIWIJSQE-ZSNJKBEMSA-N 0 2 652.791 8.290 40 30 KKEBLN O=C(CSc1nc2ccc(/N=C/c3cc(Br)c(O)c(Br)c3)cc2s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000164706503 571550761 /nfs/dbraw/zinc/55/07/61/571550761.db2.gz NNEUDADFAHVOPH-KIBLKLHPSA-N 0 2 622.320 6.917 40 30 KKEBLN CCCCCCCCCCCCCCCCCc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(c2c(C)[nH]n(-c3ccccc3)c2=O)C(=O)N(c2ccccc2)N=C1C ZINC000221964986 571604465 /nfs/dbraw/zinc/60/44/65/571604465.db2.gz AQPRQSHMCOYYFU-VLIKKJPDSA-N 0 2 743.009 10.715 40 30 KKEBLN CCOC(=O)c1sc(NC=C2C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3Br)C2=O)c(C#N)c1C ZINC000408526580 572157666 /nfs/dbraw/zinc/15/76/66/572157666.db2.gz BOVHOOWDSKCKNN-KGENOOAVSA-N 0 2 637.556 5.914 40 30 KKEBLN O=C1NC(=O)N(c2ccc(I)cc2)C(=O)C1=CNc1ccc(N=Nc2ccccc2)cc1 ZINC000408529203 572167176 /nfs/dbraw/zinc/16/71/76/572167176.db2.gz CKVPFWWEPPTRFM-KYPMJVNZSA-N 0 2 537.317 5.308 40 30 KKEBLN CCCCCCCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OCC)cc2)C1=O ZINC000408537748 572195758 /nfs/dbraw/zinc/19/57/58/572195758.db2.gz HDBMEVYYUVRQQJ-PTGBLXJZSA-N 0 2 543.458 6.254 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC ZINC000408538221 572197528 /nfs/dbraw/zinc/19/75/28/572197528.db2.gz KHWWSWPYXXHXFP-QNGOZBTKSA-N 0 2 577.903 6.907 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OC ZINC000408539259 572201415 /nfs/dbraw/zinc/20/14/15/572201415.db2.gz UTUGYHFPZXJEAB-DIBXZPPDSA-N 0 2 635.555 7.442 40 30 KKEBLN CCCCCCCCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000408539368 572201978 /nfs/dbraw/zinc/20/19/78/572201978.db2.gz WAUGFVGYVCBOQQ-LTGZKZEYSA-N 0 2 533.850 6.508 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(OCCC)c(OC)c3)C2=O)cc1OCC ZINC000408539346 572202001 /nfs/dbraw/zinc/20/20/01/572202001.db2.gz GWNLBUXJVDEJNP-QJOMJCCJSA-N 0 2 631.564 7.051 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OC ZINC000408539666 572202782 /nfs/dbraw/zinc/20/27/82/572202782.db2.gz JFMAISXOMURYRU-DEDYPNTBSA-N 0 2 577.903 6.825 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000408539807 572203273 /nfs/dbraw/zinc/20/32/73/572203273.db2.gz ZBIOFLGHNVQYNY-XSFVSMFZSA-N 0 2 608.327 6.626 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl ZINC000408540146 572204710 /nfs/dbraw/zinc/20/47/10/572204710.db2.gz NRNFWOXUAINGBU-XDHOZWIPSA-N 0 2 523.844 7.053 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(OCCC)c(OC)c3)C2=O)cc1Cl ZINC000408541021 572207593 /nfs/dbraw/zinc/20/75/93/572207593.db2.gz XHILNDQZFMCCEF-QNGOZBTKSA-N 0 2 577.505 7.197 40 30 KKEBLN C#CCOc1c(OC)cccc1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000108423458 1069722010 /nfs/dbraw/zinc/72/20/10/1069722010.db2.gz WFQWRJMDDLMWQI-UHFFFAOYSA-N 0 2 520.589 5.287 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000408775515 1069893327 /nfs/dbraw/zinc/89/33/27/1069893327.db2.gz HSXOIGOFIUKKIX-WSDLNYQXSA-N 0 2 571.844 6.629 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000408782480 1069907571 /nfs/dbraw/zinc/90/75/71/1069907571.db2.gz JBTVTBNYCWLOQZ-YDZHTSKRSA-N 0 2 585.871 7.019 40 30 KKEBLN C=CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000408819937 1069992851 /nfs/dbraw/zinc/99/28/51/1069992851.db2.gz ZKXRUMSLPXKIOC-XQNSMLJCSA-N 0 2 533.378 5.259 40 30 KKEBLN C#CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc1OCC ZINC000408830222 1070017290 /nfs/dbraw/zinc/01/72/90/1070017290.db2.gz OUQWDRXMFBBZCS-QKWLYDBSSA-N 0 2 716.632 7.404 40 30 KKEBLN C#CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1OC ZINC000408829472 1070016017 /nfs/dbraw/zinc/01/60/17/1070016017.db2.gz OCBQMEQBIVWRQT-OEAKJJBVSA-N 0 2 575.415 5.024 40 30 KKEBLN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Br)c(O)c(Br)c1 ZINC000408847863 1070056468 /nfs/dbraw/zinc/05/64/68/1070056468.db2.gz VNIYWVPYWROFCE-KRWDZBQOSA-N 0 2 519.189 5.049 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(OCC)ccc3OCC)C2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 ZINC000408852462 1070059561 /nfs/dbraw/zinc/05/95/61/1070059561.db2.gz LDPOKYFMDMCNKM-YDZHTSKRSA-N 0 2 649.494 5.949 40 30 KKEBLN O=C(NCc1ccco1)c1c2c(sc1/N=C\c1cc(Br)c(O)c(Br)c1)CCCC2 ZINC000408852142 1070059113 /nfs/dbraw/zinc/05/91/13/1070059113.db2.gz IQDOPWFHSCUKIG-MRUKODCESA-N 0 2 538.261 6.131 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1OCc1cccc(F)c1 ZINC000408855894 1070075203 /nfs/dbraw/zinc/07/52/03/1070075203.db2.gz GKTLNKGRUPUUCD-MFKUBSTISA-N 0 2 514.553 5.425 40 30 KKEBLN C[C@H](c1ccccc1)N1C(=O)/C(=C\c2cc(Br)c(O)c(Br)c2)S/C1=N\c1ccccc1 ZINC000408907846 1070191795 /nfs/dbraw/zinc/19/17/95/1070191795.db2.gz PGJKHWWXTOQRFR-AWTDNBMVSA-N 0 2 558.295 7.282 40 30 KKEBLN COc1ccc(N=C2S/C(=C\c3ccc(O)c([N+](=O)[O-])c3)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000408962124 1070327475 /nfs/dbraw/zinc/32/74/75/1070327475.db2.gz GVHZVZRQYTZSEX-KXJGCGDTSA-N 0 2 514.563 5.637 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000408908290 1070985044 /nfs/dbraw/zinc/98/50/44/1070985044.db2.gz BLEQVMLGJKPGCM-ZVHZXABRSA-N 0 2 500.526 5.117 40 30 KKEBLN N#Cc1ccccc1COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1I ZINC000408949539 1071361097 /nfs/dbraw/zinc/36/10/97/1071361097.db2.gz IIGCUEWXNRQYKB-KVSWJAHQSA-N 0 2 809.442 7.481 40 30 KKEBLN COc1cc(/C=C2\SC(=Nc3ccccc3)N(CCC[NH+]3CCOCC3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408964042 1071419878 /nfs/dbraw/zinc/41/98/78/1071419878.db2.gz BHEKRNZFZYNWPA-IHAFXFNKSA-N 0 2 587.698 5.299 40 30 KKEBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(OCc5ccccc5C#N)cc4)c3C)C2=O)cc1 ZINC000408986171 1071493937 /nfs/dbraw/zinc/49/39/37/1071493937.db2.gz ZZITWWWEMINBSZ-YKQZZPSBSA-N 0 2 544.611 5.774 40 30 KKEBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCc4ccccc4C#N)c(OC)c3)C2=O)cc1 ZINC000408984944 1071504579 /nfs/dbraw/zinc/50/45/79/1071504579.db2.gz UOGQWPLIMPWCQO-UUYOSTAYSA-N 0 2 560.404 5.137 40 30 KKEBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCc4ccccc4C#N)c(OC)c3)C2=O)cc1 ZINC000408981904 1071530725 /nfs/dbraw/zinc/53/07/25/1071530725.db2.gz DOJQJZANNPFWOS-UUYOSTAYSA-N 0 2 515.953 5.028 40 30 KKEBLN CCOC(=O)c1ccc(-c2ccc(C=N[N-]c3nc(Nc4cccc(C)c4C)nc(N4CCC(C)CC4)[nH+]3)o2)cc1 ZINC000408980375 1071539990 /nfs/dbraw/zinc/53/99/90/1071539990.db2.gz VYXCCZVYROIDGB-BIZUNTBRSA-N 0 2 553.667 5.773 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000408993225 1071566466 /nfs/dbraw/zinc/56/64/66/1071566466.db2.gz VULNKNUKJBDCON-UCQKPKSFSA-N 0 2 548.998 6.160 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1ccc2ccccc2c1 ZINC000408992547 1071571672 /nfs/dbraw/zinc/57/16/72/1071571672.db2.gz UBZFQRANWVGGHO-COEJQBHMSA-N 0 2 560.650 6.775 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000408988769 1071602539 /nfs/dbraw/zinc/60/25/39/1071602539.db2.gz JGBYZQMESDWFEQ-MYYYXRDXSA-N 0 2 545.035 6.329 40 30 KKEBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccccc4C#N)c(Br)c3)C2=O)cc1Cl ZINC000408987902 1071609901 /nfs/dbraw/zinc/60/99/01/1071609901.db2.gz PIVNVPGRQMTNQI-JMIUGGIZSA-N 0 2 550.796 5.528 40 30 KKEBLN CCCCCCCO[C@H]1C=CC=C[C@H]1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000408737467 1071614303 /nfs/dbraw/zinc/61/43/03/1071614303.db2.gz RDQGWXOUAKIKMK-WDYNHAJCSA-N 0 2 552.719 7.316 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000408753765 1071655276 /nfs/dbraw/zinc/65/52/76/1071655276.db2.gz HXBXNZMUFPJLEX-OEAKJJBVSA-N 0 2 595.877 6.393 40 30 KKEBLN O=C1NC(=Nc2cccc(I)c2)S/C1=C/c1cc(Br)c(O)c(Br)c1 ZINC000408749918 1071681578 /nfs/dbraw/zinc/68/15/78/1071681578.db2.gz UYIXCBYDAPGBMS-AWNIVKPZSA-N 0 2 580.039 5.413 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000408760542 1071696321 /nfs/dbraw/zinc/69/63/21/1071696321.db2.gz ALMHMYVJXYDPNG-OEAKJJBVSA-N 0 2 579.422 5.879 40 30 KKEBLN Cc1cc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccccc4C#N)c(Br)c3)C2=O)ccc1Br ZINC000408757530 1071712474 /nfs/dbraw/zinc/71/24/74/1071712474.db2.gz ZGOVKVLRSRJYPR-RGVLZGJSSA-N 0 2 595.247 5.637 40 30 KKEBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccccc1C#N ZINC000408757330 1071713452 /nfs/dbraw/zinc/71/34/52/1071713452.db2.gz YPJRJQBSVRQANJ-LPYMAVHISA-N 0 2 560.404 5.273 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OC)c1OCc1ccccc1F ZINC000408763750 1071731042 /nfs/dbraw/zinc/73/10/42/1071731042.db2.gz OQYRJFYFYIRCEK-HYARGMPZSA-N 0 2 579.422 5.879 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408762966 1071733677 /nfs/dbraw/zinc/73/36/77/1071733677.db2.gz MEWYVCGCUVKXKP-OEAKJJBVSA-N 0 2 624.329 6.802 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408776884 1071747170 /nfs/dbraw/zinc/74/71/70/1071747170.db2.gz RQTFNJKKGHAEJN-WGOQTCKBSA-N 0 2 601.884 7.230 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408772574 1071773474 /nfs/dbraw/zinc/77/34/74/1071773474.db2.gz DADIHZYBLZBFEI-ZVHZXABRSA-N 0 2 563.423 6.179 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408772285 1071775607 /nfs/dbraw/zinc/77/56/07/1071775607.db2.gz NPXRWRXWGWRUDU-PCLIKHOPSA-N 0 2 511.534 5.186 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000408771823 1071778280 /nfs/dbraw/zinc/77/82/80/1071778280.db2.gz IILKDIDCURZRHR-WPWMEQJKSA-N 0 2 553.014 6.476 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OCc1ccc2ccccc2c1 ZINC000408770923 1071783950 /nfs/dbraw/zinc/78/39/50/1071783950.db2.gz CKLTXJCOZIYUPC-MTDXEUNCSA-N 0 2 567.041 6.866 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000408769672 1071792550 /nfs/dbraw/zinc/79/25/50/1071792550.db2.gz YYAZORKKTSDQSR-PCLIKHOPSA-N 0 2 545.035 6.329 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000408769272 1071793781 /nfs/dbraw/zinc/79/37/81/1071793781.db2.gz QHDMMAMEKMUPGO-PXLXIMEGSA-N 0 2 507.373 5.967 40 30 KKEBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCc4ccccc4C#N)c(Br)c3)C2=O)cc1 ZINC000408781104 1071820035 /nfs/dbraw/zinc/82/00/35/1071820035.db2.gz ADVOLAGJPLIXEC-KEBDBYFISA-N 0 2 550.796 5.528 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408785899 1071853540 /nfs/dbraw/zinc/85/35/40/1071853540.db2.gz JLABPKOXFWZWFI-OEAKJJBVSA-N 0 2 576.403 5.640 40 30 KKEBLN C=CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O ZINC000409043657 1071857578 /nfs/dbraw/zinc/85/75/78/1071857578.db2.gz SUDQWDBVHRINSP-UKTHLTGXSA-N 0 2 540.595 5.096 40 30 KKEBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000408790029 1071894535 /nfs/dbraw/zinc/89/45/35/1071894535.db2.gz MHFILUHVHHKQIG-WSDLNYQXSA-N 0 2 560.404 5.273 40 30 KKEBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000408788012 1071900142 /nfs/dbraw/zinc/90/01/42/1071900142.db2.gz CFRQHOFBHSAXRA-SSDVNMTOSA-N 0 2 560.404 5.192 40 30 KKEBLN C=CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000409055991 1071923793 /nfs/dbraw/zinc/92/37/93/1071923793.db2.gz KJDZCIMKPOYXSK-HYARGMPZSA-N 0 2 612.274 6.022 40 30 KKEBLN CCOc1c(I)cc(/C=N\c2nc3c(s2)Cc2cc(OC)ccc2-3)cc1OC ZINC000409048209 1071973720 /nfs/dbraw/zinc/97/37/20/1071973720.db2.gz RJKCSBLHHKKFNQ-KSEXSDGBSA-N 0 2 506.365 5.485 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409066316 1072003645 /nfs/dbraw/zinc/00/36/45/1072003645.db2.gz BQLIBSBVGYNRHJ-BUVRLJJBSA-N 0 2 532.980 5.331 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000409065666 1072007032 /nfs/dbraw/zinc/00/70/32/1072007032.db2.gz KDHFWNYEYMZCPO-BUVRLJJBSA-N 0 2 531.008 6.021 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409065777 1072006004 /nfs/dbraw/zinc/00/60/04/1072006004.db2.gz NEPWCIYYCLZZMT-HZHRSRAPSA-N 0 2 645.915 5.664 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000409063903 1072018360 /nfs/dbraw/zinc/01/83/60/1072018360.db2.gz ANGDXWSMIRADTJ-MFKUBSTISA-N 0 2 587.459 7.129 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000409074386 1072039988 /nfs/dbraw/zinc/03/99/88/1072039988.db2.gz QPNXJRUDLLASOH-BUVRLJJBSA-N 0 2 577.431 5.440 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000409075974 1072056964 /nfs/dbraw/zinc/05/69/64/1072056964.db2.gz ZTSWRQPYFFLIFA-LPYMAVHISA-N 0 2 630.322 7.129 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409074851 1072065195 /nfs/dbraw/zinc/06/51/95/1072065195.db2.gz SOSLSQSBMKGAOF-OEAKJJBVSA-N 0 2 565.453 6.674 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000409073499 1072076225 /nfs/dbraw/zinc/07/62/25/1072076225.db2.gz PTRUWDZVYWBGBB-PCLIKHOPSA-N 0 2 591.458 5.830 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409071297 1072090722 /nfs/dbraw/zinc/09/07/22/1072090722.db2.gz JEPGZXVUHPYNGS-ZVHZXABRSA-N 0 2 561.978 5.621 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409071981 1072086078 /nfs/dbraw/zinc/08/60/78/1072086078.db2.gz ACDQSKQMRINRGO-RUMWWMSVSA-N 0 2 602.687 6.947 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000409071200 1072090339 /nfs/dbraw/zinc/09/03/39/1072090339.db2.gz IOKFKOQYAKYOJC-OVVQPSECSA-N 0 2 581.068 7.174 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000409070475 1072094795 /nfs/dbraw/zinc/09/47/95/1072094795.db2.gz YFKHBZRAVUNBSN-FYJGNVAPSA-N 0 2 585.871 7.019 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000409070228 1072097163 /nfs/dbraw/zinc/09/71/63/1072097163.db2.gz LCKFARRTNRPTGN-LFVJCYFKSA-N 0 2 547.007 5.721 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409079876 1072129822 /nfs/dbraw/zinc/12/98/22/1072129822.db2.gz BZMNIXQOHAWFEH-LPYMAVHISA-N 0 2 595.530 6.426 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409086628 1072165878 /nfs/dbraw/zinc/16/58/78/1072165878.db2.gz FTHGASWIISYYSS-RGVLZGJSSA-N 0 2 612.473 5.718 40 30 KKEBLN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3cc(I)cc(I)c3O)sc2C1 ZINC000409083347 1072201598 /nfs/dbraw/zinc/20/15/98/1072201598.db2.gz SNWZXEXNOVMIAW-LYORIEDSSA-N 0 2 590.268 6.436 40 30 KKEBLN CCc1nnc(C2=C(O)C(=Cc3ccc(OCc4ccccc4C#N)c(Br)c3)SC2=N)s1 ZINC000409336510 1072330670 /nfs/dbraw/zinc/33/06/70/1072330670.db2.gz ONFGFLSJCWDQRD-HGTQCNCZSA-N 0 2 525.453 5.732 40 30 KKEBLN CCc1nnc(C2=C(O)C(=Cc3cc(OC)c(OCc4ccccc4C#N)cc3Br)SC2=N)s1 ZINC000409335672 1072337693 /nfs/dbraw/zinc/33/76/93/1072337693.db2.gz LHWSPDVEAAQSHT-RYMBDSPKSA-N 0 2 555.479 5.740 40 30 KKEBLN COc1ccc(Nc2nc(N=NCc3cc(Br)c(O)c(Br)c3)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000409331128 1072372056 /nfs/dbraw/zinc/37/20/56/1072372056.db2.gz CLEGGTVNDMXOGM-CAQPMQTCSA-N 0 2 667.406 6.760 40 30 KKEBLN CCc1nnc(C2=C(O)C(=Cc3ccc(OCc4ccc(F)cc4)c(Br)c3)SC2=N)s1 ZINC000409336923 1072405936 /nfs/dbraw/zinc/40/59/36/1072405936.db2.gz QSMWXCNXLVLJAE-SYYZSARLSA-N 0 2 518.433 5.999 40 30 KKEBLN CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)ccc1OCc1cc(OC)ccc1OC ZINC000409337374 1072495663 /nfs/dbraw/zinc/49/56/63/1072495663.db2.gz UHQMQJSKVUOZSE-QJAHBBQISA-N 0 2 525.652 5.513 40 30 KKEBLN COCc1nnc([C@@H](Cc2ccccc2)NC(=O)C[C@H](c2ccc(SC)cc2)C2C(=O)C[C@@H](C)[C@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)C2=O)[nH]1 ZINC001547138728 1073180229 /nfs/dbraw/zinc/18/02/29/1073180229.db2.gz QSVTZVZBOIDRLS-GCZAGJJJSA-N 0 2 747.270 6.353 40 30 KKEBLN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)N[C@@H](Cc2ccccc2)c2n[nH]c(=O)[nH]2)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547139079 1073184207 /nfs/dbraw/zinc/18/42/07/1073184207.db2.gz DKBSTBSSKJPASL-XMABCFHASA-N 0 2 719.216 5.912 40 30 KKEBLN CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)O[C@@H](C#N)c1cccc(Oc2ccccc2)c1 ZINC000001532101 551683984 /nfs/dbraw/zinc/68/39/84/551683984.db2.gz INISTDXBRIBGOC-ZEQRLZLVSA-N 0 2 502.920 7.396 40 30 in-vitro KKEBLN CO[C@@H](C(=O)C1=C2Oc3c4c(cc(O)c3C(=O)[C@@H]2C2=C(CCCC2)C1=O)OC(C)(C)C=C4)[C@@H](C)CCC=C(C)C ZINC000001661164 551688338 /nfs/dbraw/zinc/68/83/38/551688338.db2.gz MMYDZXDNKCPDCM-XRIGCXDJSA-N 0 2 546.660 6.442 40 30 KKEBLN CO[C@@H](C(=O)c1c(=O)c2c(c3c(O)c4c(O)cc5c(c4oc1-3)C=CC(C)(C)O5)CCCC2)[C@@H](C)CCC=C(C)C ZINC000001661164 551688341 /nfs/dbraw/zinc/68/83/41/551688341.db2.gz MMYDZXDNKCPDCM-XRIGCXDJSA-N 0 2 546.660 6.442 40 30 KKEBLN Cc1ccc(/N=C2/SC(CC(=O)Nc3cccc4ccccc43)C(=O)N2Cc2ccc3c(c2)OCO3)c(C)c1 ZINC000003286101 552337656 /nfs/dbraw/zinc/33/76/56/552337656.db2.gz SMVGXXHBNGQGDX-MFQHLKQYSA-N 0 2 537.641 6.346 40 30 KKEBLN Cc1ccc(/N=C2/S[C@@H](CC(=O)Nc3cccc4ccccc43)C(=O)N2Cc2ccc3c(c2)OCO3)c(C)c1 ZINC000003286101 552337658 /nfs/dbraw/zinc/33/76/58/552337658.db2.gz SMVGXXHBNGQGDX-MFQHLKQYSA-N 0 2 537.641 6.346 40 30 KKEBLN CC(=O)c1ccc(NC(=O)CC2SC(=Nc3ccc(Cl)c(Cl)c3)N(C3CCCC3)C2=O)cc1 ZINC000003301991 552346468 /nfs/dbraw/zinc/34/64/68/552346468.db2.gz KIJSHMZIKATLRE-QTEAAIINSA-N 0 2 504.439 6.099 40 30 KKEBLN CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)c(Cl)c3)N(C3CCCC3)C2=O)cc1 ZINC000003301991 552346473 /nfs/dbraw/zinc/34/64/73/552346473.db2.gz KIJSHMZIKATLRE-QTEAAIINSA-N 0 2 504.439 6.099 40 30 KKEBLN CCCOc1ccc(NC(=O)CC2S/C(=N\N=C\c3ccc(-c4ccccc4Cl)o3)NC2=O)cc1 ZINC000012566927 553397386 /nfs/dbraw/zinc/39/73/86/553397386.db2.gz MPTVVFBUGAQSQX-QYJQOTDOSA-N 0 2 511.003 5.339 40 30 KKEBLN CCCOc1ccc(NC(=O)C[C@@H]2S/C(=N\N=C\c3ccc(-c4ccccc4Cl)o3)NC2=O)cc1 ZINC000012566927 553397387 /nfs/dbraw/zinc/39/73/87/553397387.db2.gz MPTVVFBUGAQSQX-QYJQOTDOSA-N 0 2 511.003 5.339 40 30 KKEBLN Cc1cccc(C)c1NC(=O)CC1S/C(=N/c2ccc(F)cc2)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000012593665 553400648 /nfs/dbraw/zinc/40/06/48/553400648.db2.gz VROWKLCINXGYAR-NUECVAKSSA-N 0 2 505.571 5.332 40 30 KKEBLN Cc1cccc(C)c1NC(=O)C[C@@H]1S/C(=N/c2ccc(F)cc2)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000012593665 553400649 /nfs/dbraw/zinc/40/06/49/553400649.db2.gz VROWKLCINXGYAR-NUECVAKSSA-N 0 2 505.571 5.332 40 30 KKEBLN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2ccc(-c3ccc(F)cc3)o2)c(C)c1 ZINC000012654702 553410393 /nfs/dbraw/zinc/41/03/93/553410393.db2.gz UHXWYJLGRKVHHW-JFLMPSFJSA-N 0 2 508.531 5.858 40 30 KKEBLN COc1ccc(OC)c(NC(=O)CC2S/C(=N\c3cc(C)cc(C)c3)N(CCC3=CCCCC3)C2=O)c1 ZINC000015911078 553540868 /nfs/dbraw/zinc/54/08/68/553540868.db2.gz VOXKZHQWOADZTN-FYUFQVDVSA-N 0 2 521.683 6.171 40 30 KKEBLN COc1ccc(OC)c(NC(=O)C[C@H]2S/C(=N\c3cc(C)cc(C)c3)N(CCC3=CCCCC3)C2=O)c1 ZINC000015911078 553540869 /nfs/dbraw/zinc/54/08/69/553540869.db2.gz VOXKZHQWOADZTN-FYUFQVDVSA-N 0 2 521.683 6.171 40 30 KKEBLN O=C(CC1S/C(=N\c2ccc(OC(F)F)cc2)N([C@@H]2CCCc3ccccc32)C1=O)Nc1ccccc1 ZINC000015911279 553541128 /nfs/dbraw/zinc/54/11/28/553541128.db2.gz GWCXNJWXRCEVQI-DGBSCKAPSA-N 0 2 521.589 6.326 40 30 KKEBLN O=C(C[C@@H]1S/C(=N\c2ccc(OC(F)F)cc2)N([C@@H]2CCCc3ccccc32)C1=O)Nc1ccccc1 ZINC000015911279 553541130 /nfs/dbraw/zinc/54/11/30/553541130.db2.gz GWCXNJWXRCEVQI-DGBSCKAPSA-N 0 2 521.589 6.326 40 30 KKEBLN Cc1ccc(/N=C2\SC(CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2Cc2ccccn2)c(C)c1 ZINC000015912125 553541471 /nfs/dbraw/zinc/54/14/71/553541471.db2.gz INJDIGZKXXDGNY-BQPAJTCCSA-N 0 2 512.557 5.878 40 30 KKEBLN Cc1ccc(/N=C2\S[C@@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2Cc2ccccn2)c(C)c1 ZINC000015912125 553541472 /nfs/dbraw/zinc/54/14/72/553541472.db2.gz INJDIGZKXXDGNY-BQPAJTCCSA-N 0 2 512.557 5.878 40 30 KKEBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1sc2ccccc2c1C#N ZINC000016268283 553557995 /nfs/dbraw/zinc/55/79/95/553557995.db2.gz JMIUWFBQWJVPAM-RGVLZGJSSA-N 0 2 500.967 5.500 40 30 KKEBLN COc1ccc(/N=C2\SC(CC(=O)Nc3ccccc3Cl)C(=O)N2Cc2ccccc2Cl)cc1 ZINC000020248026 553628781 /nfs/dbraw/zinc/62/87/81/553628781.db2.gz QCLWYYUXTFZAQU-XOFWUJAUSA-N 0 2 514.434 6.163 40 30 KKEBLN COc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccccc3Cl)C(=O)N2Cc2ccccc2Cl)cc1 ZINC000020248026 553628783 /nfs/dbraw/zinc/62/87/83/553628783.db2.gz QCLWYYUXTFZAQU-XOFWUJAUSA-N 0 2 514.434 6.163 40 30 KKEBLN O=C(CC1S/C(=N\c2ccc(Cl)cc2)N(CCc2ccc(F)cc2)C1=O)Nc1cccc(Cl)c1 ZINC000020437460 553648620 /nfs/dbraw/zinc/64/86/20/553648620.db2.gz BQSVAGIPZUXELA-VXDNOLEKSA-N 0 2 516.425 6.336 40 30 KKEBLN O=C(C[C@H]1S/C(=N\c2ccc(Cl)cc2)N(CCc2ccc(F)cc2)C1=O)Nc1cccc(Cl)c1 ZINC000020437460 553648624 /nfs/dbraw/zinc/64/86/24/553648624.db2.gz BQSVAGIPZUXELA-VXDNOLEKSA-N 0 2 516.425 6.336 40 30 KKEBLN COC(=O)C(=C(O)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)c1csc(-n2nc(C3=CCCCC3)cc2-c2ccccc2)n1 ZINC000082175277 553674522 /nfs/dbraw/zinc/67/45/22/553674522.db2.gz UIBISCTXYRHCFE-XMMPIXPASA-N 0 2 640.505 7.282 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N/c3ccc(OC(F)F)cc3)N(C[C@@H]3CCCO3)C2=O)cc1Cl ZINC000096022013 553718766 /nfs/dbraw/zinc/71/87/66/553718766.db2.gz SZEIRBUHWPUFNT-FGPCNNCESA-N 0 2 539.988 5.089 40 30 KKEBLN COc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(OC(F)F)cc3)N(C[C@@H]3CCCO3)C2=O)cc1Cl ZINC000096022013 553718769 /nfs/dbraw/zinc/71/87/69/553718769.db2.gz SZEIRBUHWPUFNT-FGPCNNCESA-N 0 2 539.988 5.089 40 30 KKEBLN Cc1ccc(C)c(/N=C2/SC(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000096022023 553718834 /nfs/dbraw/zinc/71/88/34/553718834.db2.gz SDJBEXBCXURJTL-GOJTZIFLSA-N 0 2 540.900 6.403 40 30 KKEBLN Cc1ccc(C)c(/N=C2/S[C@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000096022023 553718838 /nfs/dbraw/zinc/71/88/38/553718838.db2.gz SDJBEXBCXURJTL-GOJTZIFLSA-N 0 2 540.900 6.403 40 30 KKEBLN Cc1ccc(C)c(/N=C2\SC(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2[C@@H](C)CCC(C)C)c1 ZINC000096022021 553718896 /nfs/dbraw/zinc/71/88/96/553718896.db2.gz AVEUUKGDFDXQJS-BFCGDXTNSA-N 0 2 554.971 8.049 40 30 KKEBLN Cc1ccc(C)c(/N=C2\S[C@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2[C@@H](C)CCC(C)C)c1 ZINC000096022021 553718898 /nfs/dbraw/zinc/71/88/98/553718898.db2.gz AVEUUKGDFDXQJS-BFCGDXTNSA-N 0 2 554.971 8.049 40 30 KKEBLN CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cc5ccccc5)cc([N+](=O)[O-])c4O)cc3)nc2c1 ZINC000022829613 553754478 /nfs/dbraw/zinc/75/44/78/553754478.db2.gz DCOWHQMIPFAPCA-YDJQKXNPSA-N 0 2 505.574 7.964 40 30 KKEBLN C=CCc1cc(C=C2C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000097972269 553966412 /nfs/dbraw/zinc/96/64/12/553966412.db2.gz NLULAWHHHHCZGD-UCQKPKSFSA-N 0 2 534.971 6.692 40 30 KKEBLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC(C)c1ccccc1Br ZINC000097980706 553990662 /nfs/dbraw/zinc/99/06/62/553990662.db2.gz BQVCNQHJPNBRTN-UCQKPKSFSA-N 0 2 519.377 5.003 40 30 KKEBLN Cc1ccc(/N=C2/SC(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2C[C@@H]2CCCO2)c(C)c1 ZINC000097981996 553998821 /nfs/dbraw/zinc/99/88/21/553998821.db2.gz LFEUYMFDDBOWLH-OJMUHODLSA-N 0 2 540.900 6.403 40 30 KKEBLN Cc1ccc(/N=C2/S[C@@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2C[C@@H]2CCCO2)c(C)c1 ZINC000097981996 553998823 /nfs/dbraw/zinc/99/88/23/553998823.db2.gz LFEUYMFDDBOWLH-OJMUHODLSA-N 0 2 540.900 6.403 40 30 KKEBLN Cc1ccc(/N=C2/SC(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2C[C@H]2CCCO2)c(C)c1 ZINC000097981997 553998892 /nfs/dbraw/zinc/99/88/92/553998892.db2.gz LFEUYMFDDBOWLH-ZQTPYEMOSA-N 0 2 540.900 6.403 40 30 KKEBLN Cc1ccc(/N=C2/S[C@@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2C[C@H]2CCCO2)c(C)c1 ZINC000097981997 553998894 /nfs/dbraw/zinc/99/88/94/553998894.db2.gz LFEUYMFDDBOWLH-ZQTPYEMOSA-N 0 2 540.900 6.403 40 30 KKEBLN Cc1ccc(C)c(/N=C2/SC(CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2CCc2ccc(Cl)cc2Cl)c1 ZINC000097982016 553998898 /nfs/dbraw/zinc/99/88/98/553998898.db2.gz CEJXVVIUBTYDKC-UVRGUWNBSA-N 0 2 594.486 7.832 40 30 KKEBLN Cc1ccc(C)c(/N=C2/S[C@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2CCc2ccc(Cl)cc2Cl)c1 ZINC000097982016 553998901 /nfs/dbraw/zinc/99/89/01/553998901.db2.gz CEJXVVIUBTYDKC-UVRGUWNBSA-N 0 2 594.486 7.832 40 30 KKEBLN O=C(CC1S/C(=N/c2ccc(F)cc2)N(CCC2=CCCCC2)C1=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000097982054 553999473 /nfs/dbraw/zinc/99/94/73/553999473.db2.gz VMNWYBPWHKUWPP-VKCBNVJFSA-N 0 2 554.009 7.349 40 30 KKEBLN O=C(C[C@@H]1S/C(=N/c2ccc(F)cc2)N(CCC2=CCCCC2)C1=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000097982054 553999476 /nfs/dbraw/zinc/99/94/76/553999476.db2.gz VMNWYBPWHKUWPP-VKCBNVJFSA-N 0 2 554.009 7.349 40 30 KKEBLN CCOc1ccc(/N=C2/SC(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)C(=O)N2C2CCCC2)cc1 ZINC000097982076 553999483 /nfs/dbraw/zinc/99/94/83/553999483.db2.gz YABGLTJIYPHOKO-CJFDVPSFSA-N 0 2 540.007 6.660 40 30 KKEBLN CCOc1ccc(/N=C2/S[C@@H](CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)C(=O)N2C2CCCC2)cc1 ZINC000097982076 553999487 /nfs/dbraw/zinc/99/94/87/553999487.db2.gz YABGLTJIYPHOKO-CJFDVPSFSA-N 0 2 540.007 6.660 40 30 KKEBLN CCOc1ccc(/N=C2/SC(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)C(=O)N2C2CCCC2)cc1 ZINC000097982077 553999503 /nfs/dbraw/zinc/99/95/03/553999503.db2.gz YABGLTJIYPHOKO-UDLVZQBISA-N 0 2 540.007 6.660 40 30 KKEBLN CCOc1ccc(/N=C2/S[C@H](CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)C(=O)N2C2CCCC2)cc1 ZINC000097982077 553999507 /nfs/dbraw/zinc/99/95/07/553999507.db2.gz YABGLTJIYPHOKO-UDLVZQBISA-N 0 2 540.007 6.660 40 30 KKEBLN O=C(/N=C1\N=C2C=CC(Cl)=CN2Cc2ccccc21)c1ccccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000097984543 554017541 /nfs/dbraw/zinc/01/75/41/554017541.db2.gz YIMOBYNFMRGPBN-JVCXMKTPSA-N 0 2 582.425 5.500 40 30 KKEBLN O=C(C1=C(O)C(=O)N(c2ccc(S(=O)(=O)Nc3nccs3)cc2)[C@@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000098002755 554054474 /nfs/dbraw/zinc/05/44/74/554054474.db2.gz CDRUCHHDQNAUMU-JOCHJYFZSA-N 0 2 630.929 6.143 40 30 KKEBLN C=CCOc1c(Br)cc(C(c2c(C)[nH]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1OC ZINC000100142105 554228178 /nfs/dbraw/zinc/22/81/78/554228178.db2.gz JDDPBZLTHBJCIY-UHFFFAOYSA-N 0 2 601.501 6.602 40 30 KKEBLN O=[N+]([O-])c1cc(Cc2ccccc2Cl)cc(/C=N/c2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)c1O ZINC000100297664 554289111 /nfs/dbraw/zinc/28/91/11/554289111.db2.gz JIRHRCTZJGIPKA-KVAAJVFYSA-N 0 2 568.416 8.910 40 30 KKEBLN O=[N+]([O-])c1cc(Cc2ccccc2)cc(/C=N/c2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)c1O ZINC000100299883 554290641 /nfs/dbraw/zinc/29/06/41/554290641.db2.gz AKUXPUBUUPULEA-DPNNOFEESA-N 0 2 533.971 8.257 40 30 KKEBLN C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000059135610 554381597 /nfs/dbraw/zinc/38/15/97/554381597.db2.gz RSMAHCAQEVBZSX-PCLIKHOPSA-N 0 2 514.553 5.711 40 30 KKEBLN CCOc1cccc(NC(=O)CC2S/C(=N/c3ccc(OC)cc3)N(Cc3ccccc3Cl)C2=O)c1 ZINC000059254547 554387108 /nfs/dbraw/zinc/38/71/08/554387108.db2.gz RMBFRYBUEFTVRA-ZSUDGOGXSA-N 0 2 524.042 5.908 40 30 KKEBLN CCOc1cccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(OC)cc3)N(Cc3ccccc3Cl)C2=O)c1 ZINC000059254547 554387110 /nfs/dbraw/zinc/38/71/10/554387110.db2.gz RMBFRYBUEFTVRA-ZSUDGOGXSA-N 0 2 524.042 5.908 40 30 KKEBLN O=[N+]([O-])c1cc(Cc2ccccc2)cc(C=NN=c2nc(Nc3ccccc3)[nH]c(N3CCCCC3)n2)c1O ZINC000059417913 554393765 /nfs/dbraw/zinc/39/37/65/554393765.db2.gz KPUQEWSHPOJWKP-VUTHCHCSSA-N 0 2 524.585 5.256 40 30 KKEBLN O=C(CSc1nc2ccc(/N=C/c3cc([N+](=O)[O-])ccc3O)cc2s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000059474808 554396704 /nfs/dbraw/zinc/39/67/04/554396704.db2.gz PJFXPUFNPQQFAO-FOKLQQMPSA-N 0 2 509.525 5.300 40 30 KKEBLN CCOc1ccc(NN=C2C(=O)N(c3nc(-c4ccc(OC)cc4)cs3)N=C2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000100529619 554410519 /nfs/dbraw/zinc/41/05/19/554410519.db2.gz FYDHCJGJHUGYQN-QCWLDUFUSA-N 0 2 542.577 5.345 40 30 KKEBLN COC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC[C@@H]3[C@@]4(C)CCC(=NOC(=O)C[C@H]5SC(=O)NC5=O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000059690873 554424869 /nfs/dbraw/zinc/42/48/69/554424869.db2.gz NAXBQOBKRFCYKY-GHIMGNIWSA-N 0 2 640.887 7.602 40 30 KKEBLN Cc1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c(/N=C\c2cc(Br)ccc2O)c1 ZINC000100722449 554456045 /nfs/dbraw/zinc/45/60/45/554456045.db2.gz SDOUSYDPCPDKSX-YVNNLAQVSA-N 0 2 516.264 5.682 40 30 KKEBLN COc1ccc(-c2nc3cc(/N=C/c4c(O)cc([N+](=O)[O-])cc4[N+](=O)[O-])ccc3o2)cc1Br ZINC000100922977 554522949 /nfs/dbraw/zinc/52/29/49/554522949.db2.gz MRWOPFDTMAUUBW-AUEPDCJTSA-N 0 2 513.260 5.539 40 30 KKEBLN Cc1ccccc1/N=C1\S/C(=C\c2cc(Br)c(O)c(Br)c2)C(=O)N1c1ccccc1C ZINC000101014336 554558951 /nfs/dbraw/zinc/55/89/51/554558951.db2.gz QGBMUHRWYLWLEL-BXHPTCRHSA-N 0 2 558.295 7.343 40 30 KKEBLN CCCOc1ccc(NC(=O)CC2S/C(=N\c3ccc(Cl)cc3)N(C(c3ccccc3)c3ccccc3)C2=O)cc1 ZINC000102406360 554921131 /nfs/dbraw/zinc/92/11/31/554921131.db2.gz OZXPKLHOUIUIKF-VSKVJQNBSA-N 0 2 584.141 7.879 40 30 KKEBLN CCCOc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccc(Cl)cc3)N(C(c3ccccc3)c3ccccc3)C2=O)cc1 ZINC000102406360 554921133 /nfs/dbraw/zinc/92/11/33/554921133.db2.gz OZXPKLHOUIUIKF-VSKVJQNBSA-N 0 2 584.141 7.879 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3ccc(C(=O)OCC)cc3)C(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000102407904 554922237 /nfs/dbraw/zinc/92/22/37/554922237.db2.gz ZPKQWFGCZHMLKA-GUNNUQNISA-N 0 2 589.670 5.209 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(C(=O)OCC)cc3)C(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000102407904 554922239 /nfs/dbraw/zinc/92/22/39/554922239.db2.gz ZPKQWFGCZHMLKA-GUNNUQNISA-N 0 2 589.670 5.209 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3cccc(C)c3)C(=O)N2CCc2ccc(F)cc2)cc1 ZINC000102407953 554922280 /nfs/dbraw/zinc/92/22/80/554922280.db2.gz SEVHIFATVILEIO-MEXAFARESA-N 0 2 533.625 5.514 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@@H](CC(=O)Nc3cccc(C)c3)C(=O)N2CCc2ccc(F)cc2)cc1 ZINC000102407953 554922282 /nfs/dbraw/zinc/92/22/82/554922282.db2.gz SEVHIFATVILEIO-MEXAFARESA-N 0 2 533.625 5.514 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000102407945 554922320 /nfs/dbraw/zinc/92/23/20/554922320.db2.gz CMFKHWFILIFSQX-GKYGOBIMSA-N 0 2 600.524 6.382 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@@H](CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000102407945 554922323 /nfs/dbraw/zinc/92/23/23/554922323.db2.gz CMFKHWFILIFSQX-GKYGOBIMSA-N 0 2 600.524 6.382 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3ccc(Cl)cc3)C(=O)N2CCc2ccccc2F)cc1 ZINC000102408246 554922547 /nfs/dbraw/zinc/92/25/47/554922547.db2.gz BJWZMJPXSLCWOX-TUIIRILJSA-N 0 2 554.043 5.859 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@H](CC(=O)Nc3ccc(Cl)cc3)C(=O)N2CCc2ccccc2F)cc1 ZINC000102408246 554922548 /nfs/dbraw/zinc/92/25/48/554922548.db2.gz BJWZMJPXSLCWOX-TUIIRILJSA-N 0 2 554.043 5.859 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3ccc(OCC)cc3)C(=O)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000102408150 554922562 /nfs/dbraw/zinc/92/25/62/554922562.db2.gz GWOOQVJLEXVLCV-IMEPGBNMSA-N 0 2 591.686 5.440 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@H](CC(=O)Nc3ccc(OCC)cc3)C(=O)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000102408150 554922563 /nfs/dbraw/zinc/92/25/63/554922563.db2.gz GWOOQVJLEXVLCV-IMEPGBNMSA-N 0 2 591.686 5.440 40 30 KKEBLN COc1cccc(/N=C2\SC(CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])C(=O)N2CCc2c[nH]c3ccccc23)c1 ZINC000102909104 555141899 /nfs/dbraw/zinc/14/18/99/555141899.db2.gz VVURCXOXWDMZNY-NFMXCSJRSA-N 0 2 573.631 5.296 40 30 KKEBLN COc1cccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])C(=O)N2CCc2c[nH]c3ccccc23)c1 ZINC000102909104 555141902 /nfs/dbraw/zinc/14/19/02/555141902.db2.gz VVURCXOXWDMZNY-NFMXCSJRSA-N 0 2 573.631 5.296 40 30 KKEBLN COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/N=C2\NC(=O)C(CC(=O)Nc3ccc(C)c(Cl)c3)S2)cc1 ZINC000102923773 555148230 /nfs/dbraw/zinc/14/82/30/555148230.db2.gz CLMRMPIJZYNJLL-CCWCOGDNSA-N 0 2 573.078 5.460 40 30 KKEBLN COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/N=C2\NC(=O)[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)S2)cc1 ZINC000102923773 555148233 /nfs/dbraw/zinc/14/82/33/555148233.db2.gz CLMRMPIJZYNJLL-CCWCOGDNSA-N 0 2 573.078 5.460 40 30 KKEBLN CC(=O)c1ccc(NC(=O)CC2SC(=Nc3ccc(Cl)c(Cl)c3)N(C3CCCC3)C2=O)cc1 ZINC000102961110 555176331 /nfs/dbraw/zinc/17/63/31/555176331.db2.gz KIJSHMZIKATLRE-ARENAHDKSA-N 0 2 504.439 6.099 40 30 KKEBLN CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)c(Cl)c3)N(C3CCCC3)C2=O)cc1 ZINC000102961110 555176332 /nfs/dbraw/zinc/17/63/32/555176332.db2.gz KIJSHMZIKATLRE-ARENAHDKSA-N 0 2 504.439 6.099 40 30 KKEBLN Cc1cccc(C)c1/N=C1\SC(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C(=O)N1C[C@@H]1CCCO1 ZINC000102961263 555176829 /nfs/dbraw/zinc/17/68/29/555176829.db2.gz FEUDYXFFZJZTPN-LUYNLCEISA-N 0 2 540.007 6.115 40 30 KKEBLN Cc1cccc(C)c1/N=C1\S[C@H](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C(=O)N1C[C@@H]1CCCO1 ZINC000102961263 555176832 /nfs/dbraw/zinc/17/68/32/555176832.db2.gz FEUDYXFFZJZTPN-LUYNLCEISA-N 0 2 540.007 6.115 40 30 KKEBLN O=C(CC1S/C(=N\c2cccc3ccccc32)N(Cc2ccc3c(c2)OCO3)C1=O)Nc1ccc(Cl)cc1 ZINC000102961282 555176872 /nfs/dbraw/zinc/17/68/72/555176872.db2.gz LDFSNODJILTRPM-IABYKIDSSA-N 0 2 544.032 6.382 40 30 KKEBLN O=C(C[C@H]1S/C(=N\c2cccc3ccccc32)N(Cc2ccc3c(c2)OCO3)C1=O)Nc1ccc(Cl)cc1 ZINC000102961282 555176873 /nfs/dbraw/zinc/17/68/73/555176873.db2.gz LDFSNODJILTRPM-IABYKIDSSA-N 0 2 544.032 6.382 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N\c3ccc(SC(F)F)cc3)N(C3CCCC3)C2=O)c(OC)c1 ZINC000102961391 555177171 /nfs/dbraw/zinc/17/71/71/555177171.db2.gz RPCYDQUPNIWZSK-UBUZMBAGSA-N 0 2 535.638 5.921 40 30 KKEBLN COc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccc(SC(F)F)cc3)N(C3CCCC3)C2=O)c(OC)c1 ZINC000102961391 555177174 /nfs/dbraw/zinc/17/71/74/555177174.db2.gz RPCYDQUPNIWZSK-UBUZMBAGSA-N 0 2 535.638 5.921 40 30 KKEBLN COc1cc([N+](=O)[O-])ccc1NC(=O)CC1S/C(=N\c2ccc(OC(F)F)cc2)N(C2CCCC2)C1=O ZINC000102961924 555178086 /nfs/dbraw/zinc/17/80/86/555178086.db2.gz HYRVYJRQIPPWDU-XFMXRJAISA-N 0 2 534.541 5.108 40 30 KKEBLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@H]1S/C(=N\c2ccc(OC(F)F)cc2)N(C2CCCC2)C1=O ZINC000102961924 555178089 /nfs/dbraw/zinc/17/80/89/555178089.db2.gz HYRVYJRQIPPWDU-XFMXRJAISA-N 0 2 534.541 5.108 40 30 KKEBLN O=C(CC1S/C(=N\c2ccccc2)N(Cc2ccc3c(c2)OCO3)C1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000102962146 555178283 /nfs/dbraw/zinc/17/82/83/555178283.db2.gz JUYPLGPQGSPJBU-MLOWHTBOSA-N 0 2 551.624 6.368 40 30 KKEBLN O=C(C[C@@H]1S/C(=N\c2ccccc2)N(Cc2ccc3c(c2)OCO3)C1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000102962146 555178285 /nfs/dbraw/zinc/17/82/85/555178285.db2.gz JUYPLGPQGSPJBU-MLOWHTBOSA-N 0 2 551.624 6.368 40 30 KKEBLN Cc1ccc(/N=C2\SC(CC(=O)Nc3ccccc3Br)C(=O)N2Cc2ccccn2)cc1Cl ZINC000102962061 555178337 /nfs/dbraw/zinc/17/83/37/555178337.db2.gz WYMVHIHUNFEECT-QTEAAIINSA-N 0 2 543.874 5.966 40 30 KKEBLN Cc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccccc3Br)C(=O)N2Cc2ccccn2)cc1Cl ZINC000102962061 555178339 /nfs/dbraw/zinc/17/83/39/555178339.db2.gz WYMVHIHUNFEECT-QTEAAIINSA-N 0 2 543.874 5.966 40 30 KKEBLN COc1cc([N+](=O)[O-])ccc1NC(=O)CC1S/C(=N\c2ccc(C)cc2C)N(CCC2=CCCCC2)C1=O ZINC000102962373 555178461 /nfs/dbraw/zinc/17/84/61/555178461.db2.gz GGBZVIYLJCNBIK-OJEZVBBGSA-N 0 2 536.654 6.071 40 30 KKEBLN Cc1ccc(C)c(/N=C2\SC(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2Cc2ccco2)c1 ZINC000102962325 555178524 /nfs/dbraw/zinc/17/85/24/555178524.db2.gz BHHVOLLTHVUNSL-DUKYEPHGSA-N 0 2 536.868 7.017 40 30 KKEBLN Cc1ccc(C)c(/N=C2\S[C@@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2Cc2ccco2)c1 ZINC000102962325 555178527 /nfs/dbraw/zinc/17/85/27/555178527.db2.gz BHHVOLLTHVUNSL-DUKYEPHGSA-N 0 2 536.868 7.017 40 30 KKEBLN CCN(Cc1ccccc1)c1ccc(C=[NH+][N-]c2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccccc2OC)cc1 ZINC000102971228 555181691 /nfs/dbraw/zinc/18/16/91/555181691.db2.gz CPCNFWDGRXBVBZ-TWKHWXDSSA-N 0 2 559.648 5.877 40 30 KKEBLN COc1ccccc1NS(=O)(=O)c1ccc(N=NCc2cn(-c3ccccc3)nc2-c2cccnc2)c([N+](=O)[O-])c1 ZINC000102983861 555189656 /nfs/dbraw/zinc/18/96/56/555189656.db2.gz WJHBMWBSFFYGDS-UXHLAJHPSA-N 0 2 569.603 5.098 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(OCC)ccc3OCC)C2=O)cc(OC)c1OCc1ccccc1 ZINC000103845240 571363037 /nfs/dbraw/zinc/36/30/37/571363037.db2.gz RXTUWSDJMATCID-KOEQRZSOSA-N 0 2 556.615 5.467 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000103850699 571364617 /nfs/dbraw/zinc/36/46/17/571364617.db2.gz RQGBIDPIRLBKOP-CIAFOILYSA-N 0 2 555.389 6.115 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000103850570 571364691 /nfs/dbraw/zinc/36/46/91/571364691.db2.gz WGECPNBCXAEJTA-LPYMAVHISA-N 0 2 525.363 6.106 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000103850749 571364794 /nfs/dbraw/zinc/36/47/94/571364794.db2.gz FTUDZQAUXOWARF-HZHRSRAPSA-N 0 2 534.971 5.852 40 30 KKEBLN N#Cc1ccccc1COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br ZINC000103858053 571366496 /nfs/dbraw/zinc/36/64/96/571366496.db2.gz GLMDUCFSCWDFKS-RGVLZGJSSA-N 0 2 581.220 5.329 40 30 KKEBLN Oc1ccc(-c2nc3cc(/N=C/c4cc(Br)cc(Cl)c4O)ccc3o2)cc1Br ZINC000109502523 571429283 /nfs/dbraw/zinc/42/92/83/571429283.db2.gz LIFFNQHNFRANLM-PGGKNCGUSA-N 0 2 522.580 6.835 40 30 KKEBLN CCCCCCCCCCCCCCCCCc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(c2c(C)[nH]n(-c3ccccc3)c2=O)C(=O)N(c2ccccc2)N=C1C ZINC000150382555 571467317 /nfs/dbraw/zinc/46/73/17/571467317.db2.gz AQPRQSHMCOYYFU-GHWKBRSFSA-N 0 2 743.009 10.715 40 30 KKEBLN CCCCCCCC1=NN2C(=NC(=O)/C(=C/c3cc(Br)c(OCCOc4ccc(C(C)(C)C)cc4)c(OC)c3)C2=N)S1 ZINC000150441058 571498166 /nfs/dbraw/zinc/49/81/66/571498166.db2.gz WJUAVBMITMUNMN-DMCDSBPFSA-N 0 2 655.659 8.193 40 30 KKEBLN CCCCCCCC1=NN2C(=NC(=O)/C(=C/c3cc(Cl)c(OCCOc4ccc(C5CCCCC5)cc4)c(OCC)c3)C2=N)S1 ZINC000150441053 571498182 /nfs/dbraw/zinc/49/81/82/571498182.db2.gz ZLAMNHOWVIFCII-GWVRMNSXSA-N 0 2 651.273 9.224 40 30 KKEBLN COc1ccc(C(=O)/C=C/c2ccc(OCCSCCCCCCCCCCSCCOc3ccc(/C=C\C(=O)c4ccc(OC)cc4)cc3)cc2)cc1 ZINC000150441040 571498211 /nfs/dbraw/zinc/49/82/11/571498211.db2.gz OUMTYXXUWYLGOM-CBTGBURPSA-N 0 2 767.066 11.541 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000164385188 571546813 /nfs/dbraw/zinc/54/68/13/571546813.db2.gz OPEDVCNEJWCNIY-LPYMAVHISA-N 0 2 661.265 6.167 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OCC ZINC000408538096 572196972 /nfs/dbraw/zinc/19/69/72/572196972.db2.gz IZTSAIBLFQKZHZ-KGENOOAVSA-N 0 2 547.479 7.106 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(OCCC)c(OC)c3)C2=O)cc1OC ZINC000408538645 572199046 /nfs/dbraw/zinc/19/90/46/572199046.db2.gz AYWSWTNCHHZHSD-JWGURIENSA-N 0 2 573.086 6.552 40 30 KKEBLN CCCCCCCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O ZINC000408538685 572199068 /nfs/dbraw/zinc/19/90/68/572199068.db2.gz PAVYKUMOWUBUTP-LTGZKZEYSA-N 0 2 517.395 5.994 40 30 KKEBLN CCCCCCCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O ZINC000408539016 572200353 /nfs/dbraw/zinc/20/03/53/572200353.db2.gz DNOCIDLJWQNALE-RCCKNPSSSA-N 0 2 533.850 6.508 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1Br ZINC000408539035 572200361 /nfs/dbraw/zinc/20/03/61/572200361.db2.gz DRPPZSYGLQKLNB-XDHOZWIPSA-N 0 2 626.773 7.579 40 30 KKEBLN CCCCCCCCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O ZINC000408540196 572205099 /nfs/dbraw/zinc/20/50/99/572205099.db2.gz ONARBMRAMHTOEB-SILNSSARSA-N 0 2 503.426 6.708 40 30 KKEBLN CC[C@@H](C)c1ccc2oc(-c3ccc(N=Cc4cc(Cc5ccccc5Cl)cc([N+](=O)[O-])c4O)cc3)nc2c1 ZINC000254397566 572302508 /nfs/dbraw/zinc/30/25/08/572302508.db2.gz XFVXSKSZWRHOIJ-LJQANCHMSA-N 0 2 540.019 8.617 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408768031 1069869511 /nfs/dbraw/zinc/86/95/11/1069869511.db2.gz SDAYDZZASFYMOH-BUVRLJJBSA-N 0 2 545.433 6.040 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000408779317 1069899866 /nfs/dbraw/zinc/89/98/66/1069899866.db2.gz VAVRXPJWGAQQRN-LFVJCYFKSA-N 0 2 514.553 5.507 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OCC)c1OCc1ccc2c(c1)OCO2 ZINC000408781278 1069903890 /nfs/dbraw/zinc/90/38/90/1069903890.db2.gz BDVJVVQGDKYVFH-AFUMVMLFSA-N 0 2 554.599 5.405 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408782775 1069908441 /nfs/dbraw/zinc/90/84/41/1069908441.db2.gz JHALEJZXSCQVHM-FYJGNVAPSA-N 0 2 541.818 6.621 40 30 KKEBLN C#CCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1OCC ZINC000408833341 1070022060 /nfs/dbraw/zinc/02/20/60/1070022060.db2.gz JJNBQAVIMMFYBC-ZSOIEALJSA-N 0 2 618.733 5.041 40 30 KKEBLN C#CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1OC ZINC000408833706 1070031407 /nfs/dbraw/zinc/03/14/07/1070031407.db2.gz SFWZASJQBCRLJM-LPYMAVHISA-N 0 2 642.833 5.211 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408859711 1070076121 /nfs/dbraw/zinc/07/61/21/1070076121.db2.gz YIBWAQAWTTYYFH-ZVHZXABRSA-N 0 2 579.878 6.693 40 30 KKEBLN Cc1ccc(/N=C2\S/C(=C/c3cc(Br)c(O)c(Br)c3)C(=O)N2C2CCCCC2)cc1 ZINC000408915769 1070217367 /nfs/dbraw/zinc/21/73/67/1070217367.db2.gz ZVWMKZYGVOJORQ-VOYPSTMSSA-N 0 2 550.316 7.162 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408983645 1070344106 /nfs/dbraw/zinc/34/41/06/1070344106.db2.gz NAJJYPSHRFIUFQ-IWIPYMOSSA-N 0 2 624.329 6.748 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408983954 1070344171 /nfs/dbraw/zinc/34/41/71/1070344171.db2.gz OVJVZWGLTCCRDA-MTJSOVHGSA-N 0 2 583.841 6.524 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000408993208 1070361272 /nfs/dbraw/zinc/36/12/72/1070361272.db2.gz VTBXDRZFODXPGY-IWIPYMOSSA-N 0 2 671.329 6.590 40 30 KKEBLN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(Br)c(O)c(I)c2)C1=O ZINC000408998875 1070373739 /nfs/dbraw/zinc/37/37/39/1070373739.db2.gz SLOHWXLQYFECAC-GDNBJRDFSA-N 0 2 572.218 5.303 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000409064043 1070479699 /nfs/dbraw/zinc/47/96/99/1070479699.db2.gz BFOLNMFSQYSIJD-ZVHZXABRSA-N 0 2 595.877 6.475 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000409075815 1070489167 /nfs/dbraw/zinc/48/91/67/1070489167.db2.gz UNGGKABZVCUGQP-YZSQISJMSA-N 0 2 544.579 5.597 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409076532 1070490974 /nfs/dbraw/zinc/49/09/74/1070490974.db2.gz BFLKIIQEQNVCGI-RGVLZGJSSA-N 0 2 615.948 6.771 40 30 KKEBLN N=C1SC(=Cc2ccc(OCc3ccc(Br)cc3)c(Br)c2)C(O)=C1c1nccs1 ZINC000409333963 1070840005 /nfs/dbraw/zinc/84/00/05/1070840005.db2.gz GJBLKGPHFHFWMN-XWVZYSRWSA-N 0 2 550.297 6.665 40 30 KKEBLN CCc1nnc(C2=C(O)C(=Cc3ccc(OCc4cccc5ccccc54)c(Br)c3)SC2=N)s1 ZINC000409337050 1070857635 /nfs/dbraw/zinc/85/76/35/1070857635.db2.gz STNAWRKLBSOZMP-BNEKJOKISA-N 0 2 550.503 7.013 40 30 KKEBLN CCc1nnc(C2=C(O)C(=Cc3ccc(OCc4cccc5ccccc54)c(OC)c3)SC2=N)s1 ZINC000409337649 1070859494 /nfs/dbraw/zinc/85/94/94/1070859494.db2.gz XBPPZRJHFQXZNF-PJUGTHBNSA-N 0 2 501.633 6.259 40 30 KKEBLN N#Cc1ccccc1COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1Cl ZINC000408909726 1070973959 /nfs/dbraw/zinc/97/39/59/1070973959.db2.gz IHFAVVDPWQBPLP-UFWORHAWSA-N 0 2 510.308 5.250 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000408912920 1071020426 /nfs/dbraw/zinc/02/04/26/1071020426.db2.gz IIAQFJNJIZBLES-ZVHZXABRSA-N 0 2 534.971 5.852 40 30 KKEBLN CC(C)(C)c1cc(C(O)(C(F)(F)F)C(F)(F)F)c(Cl)c(C(O)(C(F)(F)F)C(F)(F)F)c1 ZINC000104233537 1071309267 /nfs/dbraw/zinc/30/92/67/1071309267.db2.gz PLEUTUZTPAEFEK-UHFFFAOYSA-N 0 2 500.707 6.262 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000408952490 1071344699 /nfs/dbraw/zinc/34/46/99/1071344699.db2.gz NZBRLHJPHXSVAJ-DPNNOFEESA-N 0 2 651.203 8.180 40 30 KKEBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000408948816 1071362744 /nfs/dbraw/zinc/36/27/44/1071362744.db2.gz HAFGZPCRYLVORW-AMVVHIIESA-N 0 2 636.148 7.324 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408985928 1071494667 /nfs/dbraw/zinc/49/46/67/1071494667.db2.gz BMETVZMEOZAKJQ-QRVIBDJDSA-N 0 2 579.878 6.693 40 30 KKEBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCc4ccccc4C#N)c(Br)c3)C2=O)cc1 ZINC000408984908 1071503831 /nfs/dbraw/zinc/50/38/31/1071503831.db2.gz UFZKQTSJYZSHDY-NHDPSOOVSA-N 0 2 564.823 5.782 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408984420 1071510075 /nfs/dbraw/zinc/51/00/75/1071510075.db2.gz QUHKMRJCUJUZDY-UQQQWYQISA-N 0 2 592.433 5.828 40 30 KKEBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000408983994 1071514638 /nfs/dbraw/zinc/51/46/38/1071514638.db2.gz PEJHEBGWUQMABF-FBHDLOMBSA-N 0 2 641.849 5.769 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408993675 1071563372 /nfs/dbraw/zinc/56/33/72/1071563372.db2.gz XCCRCRJYODNHLV-XYGWBWBKSA-N 0 2 541.560 5.140 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000408991167 1071582459 /nfs/dbraw/zinc/58/24/59/1071582459.db2.gz ZJIRRFHJIWKZJO-IWIPYMOSSA-N 0 2 531.008 6.021 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1cccc(C)c1 ZINC000408988539 1071603142 /nfs/dbraw/zinc/60/31/42/1071603142.db2.gz IHUFOYRTELSWDQ-IMRQLAEWSA-N 0 2 524.617 5.930 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccc(I)cc1 ZINC000408988478 1071604644 /nfs/dbraw/zinc/60/46/44/1071604644.db2.gz IAUHIIXGKUBBMK-OYKKKHCWSA-N 0 2 656.904 6.626 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000408756149 1071639940 /nfs/dbraw/zinc/63/99/40/1071639940.db2.gz UEETYVONPHNSII-BUVRLJJBSA-N 0 2 575.459 6.048 40 30 KKEBLN O=C1NC(=Nc2ccc([N+](=O)[O-])cc2Cl)S/C1=C/c1cc(Br)c(O)c(Br)c1 ZINC000408755212 1071647200 /nfs/dbraw/zinc/64/72/00/1071647200.db2.gz ZLOCMBOQPAQZNS-WLRTZDKTSA-N 0 2 533.585 5.370 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408754577 1071651124 /nfs/dbraw/zinc/65/11/24/1071651124.db2.gz GILDNCXEMHYAOF-OEAKJJBVSA-N 0 2 606.429 5.648 40 30 KKEBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000408754141 1071653383 /nfs/dbraw/zinc/65/33/83/1071653383.db2.gz IQLKAJBHCBIRCY-SRZZPIQSSA-N 0 2 639.300 6.036 40 30 KKEBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000408751908 1071667869 /nfs/dbraw/zinc/66/78/69/1071667869.db2.gz DPYKMHVNYQSKES-KEBDBYFISA-N 0 2 625.273 5.646 40 30 KKEBLN Cc1cc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCc4ccccc4C#N)c(Br)c3)C2=O)ccc1Br ZINC000408766331 1071713899 /nfs/dbraw/zinc/71/38/99/1071713899.db2.gz UKABQDDTKRWLAN-DJKKODMXSA-N 0 2 674.143 6.400 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000408763882 1071730272 /nfs/dbraw/zinc/73/02/72/1071730272.db2.gz LBIGJFLATCKCRR-WSDLNYQXSA-N 0 2 630.322 7.047 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408775813 1071752448 /nfs/dbraw/zinc/75/24/48/1071752448.db2.gz SGRFOEXNTITVBG-WGOQTCKBSA-N 0 2 555.587 5.584 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408775772 1071753480 /nfs/dbraw/zinc/75/34/80/1071753480.db2.gz KNYONOISZLBXCU-OGLMXYFKSA-N 0 2 595.493 7.193 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408771435 1071779910 /nfs/dbraw/zinc/77/99/10/1071779910.db2.gz IAUBKKLAGASSFS-OEAKJJBVSA-N 0 2 547.951 5.231 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408771388 1071781220 /nfs/dbraw/zinc/78/12/20/1071781220.db2.gz GIXBAOLFVFOLPT-PCLIKHOPSA-N 0 2 541.560 5.276 40 30 KKEBLN CCOc1cc(/C=N/c2nc3c(s2)Cc2c-3c(OC)ccc2Br)ccc1OCc1ccccc1 ZINC000409043655 1071857679 /nfs/dbraw/zinc/85/76/79/1071857679.db2.gz SROKSYRJXADRSD-WKULSOCRSA-N 0 2 535.463 7.214 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000408784874 1071859966 /nfs/dbraw/zinc/85/99/66/1071859966.db2.gz WAMFASUZMSDJMR-ZMOGYAJESA-N 0 2 565.453 6.593 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000408784067 1071866764 /nfs/dbraw/zinc/86/67/64/1071866764.db2.gz RAXAYJQAADZNHZ-HZHRSRAPSA-N 0 2 551.426 6.366 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408783603 1071869079 /nfs/dbraw/zinc/86/90/79/1071869079.db2.gz OZNWESHPSUMHLD-RGVLZGJSSA-N 0 2 620.714 7.383 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OC)c1OCC ZINC000409065983 1072005506 /nfs/dbraw/zinc/00/55/06/1072005506.db2.gz ACWCKGUPGRPNAX-KOEQRZSOSA-N 0 2 512.562 5.068 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409064082 1072017531 /nfs/dbraw/zinc/01/75/31/1072017531.db2.gz BNYHAQCLQIRMFD-ZVHZXABRSA-N 0 2 581.452 6.375 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409075378 1072061729 /nfs/dbraw/zinc/06/17/29/1072061729.db2.gz XTSJVYVHVYINPW-FYJGNVAPSA-N 0 2 601.464 5.473 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409073994 1072070520 /nfs/dbraw/zinc/07/05/20/1072070520.db2.gz OYARMZMDUKWPHV-CIAFOILYSA-N 0 2 571.844 6.629 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000409074025 1072071199 /nfs/dbraw/zinc/07/11/99/1072071199.db2.gz JODIEGKZUHHPIJ-LPYMAVHISA-N 0 2 599.898 7.328 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000409073697 1072072747 /nfs/dbraw/zinc/07/27/47/1072072747.db2.gz RDUVZRIIAOUREH-YDZHTSKRSA-N 0 2 581.850 6.085 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000409072489 1072081266 /nfs/dbraw/zinc/08/12/66/1072081266.db2.gz CIBXWMQEPCFXJU-PXLXIMEGSA-N 0 2 548.998 6.160 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000409071309 1072091148 /nfs/dbraw/zinc/09/11/48/1072091148.db2.gz QLTJKADYUHHOSL-FSJBWODESA-N 0 2 585.871 7.019 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OC)c1OCc1ccccc1F ZINC000409070660 1072094052 /nfs/dbraw/zinc/09/40/52/1072094052.db2.gz DKIPSOXWLDBMQK-VUTHCHCSSA-N 0 2 592.623 6.387 40 30 KKEBLN C=CCOc1c(CC=C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OCC ZINC000409070156 1072096651 /nfs/dbraw/zinc/09/66/51/1072096651.db2.gz NDQSJUCJOCOBLO-ZXVVBBHZSA-N 0 2 538.600 5.624 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409070178 1072096717 /nfs/dbraw/zinc/09/67/17/1072096717.db2.gz NHBKCXZLSZACHJ-ZVHZXABRSA-N 0 2 565.453 6.674 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(OC)c1OCc1cccc(F)c1 ZINC000409069485 1072102496 /nfs/dbraw/zinc/10/24/96/1072102496.db2.gz DCYRTNNZZSRIQE-KGENOOAVSA-N 0 2 520.944 5.462 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409069383 1072104926 /nfs/dbraw/zinc/10/49/26/1072104926.db2.gz CSYKOAZKBAZBSY-BUVRLJJBSA-N 0 2 581.046 5.210 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000409068979 1072105897 /nfs/dbraw/zinc/10/58/97/1072105897.db2.gz TZDFFHXPRITWTR-KGENOOAVSA-N 0 2 581.850 6.085 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000409068704 1072108307 /nfs/dbraw/zinc/10/83/07/1072108307.db2.gz BPEPAVHXRSWBGU-WPWMEQJKSA-N 0 2 563.566 5.731 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000409067987 1072114068 /nfs/dbraw/zinc/11/40/68/1072114068.db2.gz SAFNIXBNWQFJBG-BUVRLJJBSA-N 0 2 532.980 5.418 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccccc1 ZINC000409067583 1072117062 /nfs/dbraw/zinc/11/70/62/1072117062.db2.gz FPHNZQNWFIAQKW-HZHRSRAPSA-N 0 2 581.046 5.210 40 30 KKEBLN CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cc(Br)c(O)c(I)c3)c2C(=O)NCc2ccco2)C1 ZINC000409079248 1072136406 /nfs/dbraw/zinc/13/64/06/1072136406.db2.gz KSFUPDPFDOCXGB-WFIBAECOSA-N 0 2 641.369 7.245 40 30 KKEBLN O=C(NCc1ccco1)c1c2c(sc1/N=C\c1cc(Br)c(O)c(I)c1)CCCC2 ZINC000409086763 1072163864 /nfs/dbraw/zinc/16/38/64/1072163864.db2.gz BAVGVYMUFJYXQR-MRUKODCESA-N 0 2 585.261 5.973 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409083423 1072202434 /nfs/dbraw/zinc/20/24/34/1072202434.db2.gz VIKZGGPOYJOJOD-RGVLZGJSSA-N 0 2 592.948 5.661 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409090848 1072278281 /nfs/dbraw/zinc/27/82/81/1072278281.db2.gz PAYNGVDSAQAMFY-VCHYOVAHSA-N 0 2 613.366 6.006 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409087943 1072304850 /nfs/dbraw/zinc/30/48/50/1072304850.db2.gz DBQGOGPNUNOMRU-CPNJWEJPSA-N 0 2 615.948 6.853 40 30 KKEBLN CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409334713 1072343624 /nfs/dbraw/zinc/34/36/24/1072343624.db2.gz IEOCXZMIOFWIGE-APMCVFLVSA-N 0 2 534.490 6.803 40 30 KKEBLN CCc1nnc(C2=C(O)C(=Cc3cc(Br)c(OCc4ccccc4)c(OC)c3)SC2=N)s1 ZINC000409333806 1072352045 /nfs/dbraw/zinc/35/20/45/1072352045.db2.gz CZAUVVBUAAFBDX-XMPNPVODSA-N 0 2 530.469 5.868 40 30 KKEBLN COc1cc(C=C2SC(=N)C(c3nccs3)=C2O)cc(Br)c1OCc1ccccc1 ZINC000409336998 1072406434 /nfs/dbraw/zinc/40/64/34/1072406434.db2.gz SFCBMRNPYUJIFC-BDWPSNFJSA-N 0 2 501.427 5.911 40 30 KKEBLN COc1cc(C=C2SC(=N)C(c3nccs3)=C2O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409337473 1072493273 /nfs/dbraw/zinc/49/32/73/1072493273.db2.gz VFGUGSFBJULVLZ-ZHICUMMLSA-N 0 2 580.323 6.674 40 30 KKEBLN CCc1nnc(C2=C(O)C(=Cc3cc(I)c(OCc4ccc(Br)cc4)c(OC)c3)SC2=N)s1 ZINC000409337464 1072496238 /nfs/dbraw/zinc/49/62/38/1072496238.db2.gz VDQAVPQIPVXHBA-JBCBYVDOSA-N 0 2 656.365 6.473 40 30 KKEBLN Cc1ccc(-c2[nH][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2ccc(OCc3ccccc3C#N)cc2)cc1 ZINC000409368939 1072662017 /nfs/dbraw/zinc/66/20/17/1072662017.db2.gz SZVLPBIVOXHVCI-UHFFFAOYSA-N 0 2 567.649 7.126 40 30 KKEBLN C#CCOc1c(Cl)cc(C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1OCC ZINC000409367627 1072669476 /nfs/dbraw/zinc/66/94/76/1072669476.db2.gz GMUCAUHFSLTBNR-UHFFFAOYSA-N 0 2 569.061 6.739 40 30 KKEBLN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O)c(Br)c1 ZINC001531269669 1073032602 /nfs/dbraw/zinc/03/26/02/1073032602.db2.gz BOPRZGHLCDMXBI-ABTNGYCASA-N 0 2 558.068 5.785 40 30 KKEBLN Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000409231780 1073063360 /nfs/dbraw/zinc/06/33/60/1073063360.db2.gz KPBFYVNFPMKJIT-XDHOZWIPSA-N 0 2 519.026 5.534 40 30 KKEBLN COc1ccc(OC)c(NC(=O)CC2S/C(=N/c3cc(C)ccc3C)N(Cc3ccc4c(c3)OCO4)C2=O)c1 ZINC000003277627 552334555 /nfs/dbraw/zinc/33/45/55/552334555.db2.gz HXQZAHKQQIWCBW-LWPYMBBZSA-N 0 2 547.633 5.210 40 30 KKEBLN COc1ccc(OC)c(NC(=O)C[C@@H]2S/C(=N/c3cc(C)ccc3C)N(Cc3ccc4c(c3)OCO4)C2=O)c1 ZINC000003277627 552334558 /nfs/dbraw/zinc/33/45/58/552334558.db2.gz HXQZAHKQQIWCBW-LWPYMBBZSA-N 0 2 547.633 5.210 40 30 KKEBLN Cc1ccc(/N=C2/SC(CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2Cc2ccc3c(c2)OCO3)c(C)c1 ZINC000003328715 552358410 /nfs/dbraw/zinc/35/84/10/552358410.db2.gz CKWHDWXDURZQFF-ZIBPCXBESA-N 0 2 555.578 6.211 40 30 KKEBLN Cc1ccc(/N=C2/S[C@@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2Cc2ccc3c(c2)OCO3)c(C)c1 ZINC000003328715 552358411 /nfs/dbraw/zinc/35/84/11/552358411.db2.gz CKWHDWXDURZQFF-ZIBPCXBESA-N 0 2 555.578 6.211 40 30 KKEBLN Cc1ccc(C)c(/N=C2\SC(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2[C@H](C)CCC(C)C)c1 ZINC000003349978 552366832 /nfs/dbraw/zinc/36/68/32/552366832.db2.gz AVEUUKGDFDXQJS-MAPYUNRBSA-N 0 2 554.971 8.049 40 30 KKEBLN Cc1ccc(C)c(/N=C2\S[C@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2[C@H](C)CCC(C)C)c1 ZINC000003349978 552366834 /nfs/dbraw/zinc/36/68/34/552366834.db2.gz AVEUUKGDFDXQJS-MAPYUNRBSA-N 0 2 554.971 8.049 40 30 KKEBLN COc1ccccc1NS(=O)(=O)c1ccc(N=NC(C)c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000005940053 552513442 /nfs/dbraw/zinc/51/34/42/552513442.db2.gz UNSZGLILXVYAFK-VULFUBBASA-N 0 2 508.478 5.259 40 30 KKEBLN Cc1ccc(/N=C2/SC(CC(=O)Nc3ccccc3Br)C(=O)N2Cc2ccccn2)cc1Cl ZINC000006184723 552562929 /nfs/dbraw/zinc/56/29/29/552562929.db2.gz WYMVHIHUNFEECT-DEKGPOLGSA-N 0 2 543.874 5.966 40 30 KKEBLN Cc1ccc(/N=C2/S[C@H](CC(=O)Nc3ccccc3Br)C(=O)N2Cc2ccccn2)cc1Cl ZINC000006184723 552562931 /nfs/dbraw/zinc/56/29/31/552562931.db2.gz WYMVHIHUNFEECT-DEKGPOLGSA-N 0 2 543.874 5.966 40 30 KKEBLN Cc1ccc(/N=C2/SC(CC(=O)Nc3ccccc3Br)C(=O)N2Cc2ccccn2)cc1Cl ZINC000006184722 552562937 /nfs/dbraw/zinc/56/29/37/552562937.db2.gz WYMVHIHUNFEECT-ARENAHDKSA-N 0 2 543.874 5.966 40 30 KKEBLN Cc1ccc(/N=C2/S[C@@H](CC(=O)Nc3ccccc3Br)C(=O)N2Cc2ccccn2)cc1Cl ZINC000006184722 552562940 /nfs/dbraw/zinc/56/29/40/552562940.db2.gz WYMVHIHUNFEECT-ARENAHDKSA-N 0 2 543.874 5.966 40 30 KKEBLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC(C)c1ccc(C2CCCCC2)cc1 ZINC000012561286 553394572 /nfs/dbraw/zinc/39/45/72/553394572.db2.gz AULPIWXBOOZXKM-TURZUDJPSA-N 0 2 522.627 6.288 40 30 KKEBLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2ccc(-c3ccccc3)cc2)cc1 ZINC000012652352 553409982 /nfs/dbraw/zinc/40/99/82/553409982.db2.gz TVDYBERBKSMHOB-OVVQPSECSA-N 0 2 502.552 5.517 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N/c3cccc4ccccc43)N(C[C@H]3CCCO3)C2=O)cc1Cl ZINC000015912905 553541779 /nfs/dbraw/zinc/54/17/79/553541779.db2.gz ZZVRZVXKPJVEQO-XMMWWVHMSA-N 0 2 524.042 5.641 40 30 KKEBLN COc1ccc(NC(=O)C[C@@H]2S/C(=N/c3cccc4ccccc43)N(C[C@H]3CCCO3)C2=O)cc1Cl ZINC000015912905 553541781 /nfs/dbraw/zinc/54/17/81/553541781.db2.gz ZZVRZVXKPJVEQO-XMMWWVHMSA-N 0 2 524.042 5.641 40 30 KKEBLN O=C(CC1S/C(=N\c2cccc3ccccc32)N(Cc2ccccn2)C1=O)Nc1ccccc1Cl ZINC000015913116 553542107 /nfs/dbraw/zinc/54/21/07/553542107.db2.gz ULLDMASPPBEZTH-CAJWKFQMSA-N 0 2 501.011 6.049 40 30 KKEBLN O=C(C[C@@H]1S/C(=N\c2cccc3ccccc32)N(Cc2ccccn2)C1=O)Nc1ccccc1Cl ZINC000015913116 553542108 /nfs/dbraw/zinc/54/21/08/553542108.db2.gz ULLDMASPPBEZTH-CAJWKFQMSA-N 0 2 501.011 6.049 40 30 KKEBLN O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3ccc(O)c(-c4nc5ccccc5o4)c3)o2)c(Br)c1 ZINC000016545306 553567665 /nfs/dbraw/zinc/56/76/65/553567665.db2.gz DCCZOXXEOJRQAQ-LGJNPRDNSA-N 0 2 504.296 6.882 40 30 KKEBLN COc1cc([N+](=O)[O-])ccc1NC(=O)CC1S/C(=N/c2ccc(F)cc2)N(CCC2=CCCCC2)C1=O ZINC000018044889 553602082 /nfs/dbraw/zinc/60/20/82/553602082.db2.gz IBDSTXCUTXVBOG-ZKZPFDSASA-N 0 2 526.590 5.593 40 30 KKEBLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@H]1S/C(=N/c2ccc(F)cc2)N(CCC2=CCCCC2)C1=O ZINC000018044889 553602087 /nfs/dbraw/zinc/60/20/87/553602087.db2.gz IBDSTXCUTXVBOG-ZKZPFDSASA-N 0 2 526.590 5.593 40 30 KKEBLN COc1ccccc1NC(=O)CC1S/C(=N\c2ccc(Cl)cc2)N(CCc2ccc(F)cc2)C1=O ZINC000020274945 553630587 /nfs/dbraw/zinc/63/05/87/553630587.db2.gz ZKMAXTNWZXXNKF-SBGXGKRISA-N 0 2 512.006 5.691 40 30 KKEBLN COc1ccccc1NC(=O)C[C@H]1S/C(=N\c2ccc(Cl)cc2)N(CCc2ccc(F)cc2)C1=O ZINC000020274945 553630590 /nfs/dbraw/zinc/63/05/90/553630590.db2.gz ZKMAXTNWZXXNKF-SBGXGKRISA-N 0 2 512.006 5.691 40 30 KKEBLN O=C(CC1S/C(=N\c2ccc(Cl)cc2)N(CCc2ccc(F)cc2)C1=O)Nc1cccc(Cl)c1 ZINC000020437465 553648520 /nfs/dbraw/zinc/64/85/20/553648520.db2.gz BQSVAGIPZUXELA-XNTIDICGSA-N 0 2 516.425 6.336 40 30 KKEBLN O=C(C[C@@H]1S/C(=N\c2ccc(Cl)cc2)N(CCc2ccc(F)cc2)C1=O)Nc1cccc(Cl)c1 ZINC000020437465 553648528 /nfs/dbraw/zinc/64/85/28/553648528.db2.gz BQSVAGIPZUXELA-XNTIDICGSA-N 0 2 516.425 6.336 40 30 KKEBLN COC(=O)C(=C(O)C(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1csc(-n2nc(-c3ccccc3)cc2-c2ccccc2)n1 ZINC000082190852 553675859 /nfs/dbraw/zinc/67/58/59/553675859.db2.gz RFXGTFMPZFBPSY-RUZDIDTESA-N 0 2 635.580 6.704 40 30 KKEBLN OC(C=C(CC(O)(C(F)(F)F)C(F)(F)F)N=NC(CC(O)(C(F)(F)F)C(F)(F)F)CC(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F ZINC000095549372 553703678 /nfs/dbraw/zinc/70/36/78/553703678.db2.gz HDXYKTXHFBJCQB-UHFFFAOYSA-N 0 2 776.256 6.767 40 30 KKEBLN Cc1ccc(C)c(/N=C2\SC(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2[C@@H](C)CCC(C)C)c1 ZINC000096022020 553718799 /nfs/dbraw/zinc/71/87/99/553718799.db2.gz AVEUUKGDFDXQJS-LOJAHLLZSA-N 0 2 554.971 8.049 40 30 KKEBLN Cc1ccc(C)c(/N=C2\S[C@@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2[C@@H](C)CCC(C)C)c1 ZINC000096022020 553718803 /nfs/dbraw/zinc/71/88/03/553718803.db2.gz AVEUUKGDFDXQJS-LOJAHLLZSA-N 0 2 554.971 8.049 40 30 KKEBLN CCOc1ccccc1/N=C1/SC(CC(=O)Nc2cccc(Cl)c2C)C(=O)N1CCC1=CCCCC1 ZINC000096400526 553753657 /nfs/dbraw/zinc/75/36/57/553753657.db2.gz XVLWHWSHTSJMAO-BGVLTHFVSA-N 0 2 526.102 6.898 40 30 KKEBLN CCOc1ccccc1/N=C1/S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1CCC1=CCCCC1 ZINC000096400526 553753659 /nfs/dbraw/zinc/75/36/59/553753659.db2.gz XVLWHWSHTSJMAO-BGVLTHFVSA-N 0 2 526.102 6.898 40 30 KKEBLN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC2C[C@H](c3ccccc3)Oc3ccccc32)c(C)c1 ZINC000097980769 553990653 /nfs/dbraw/zinc/99/06/53/553990653.db2.gz ZVBJCLMGFNMNSC-HHPODCHXSA-N 0 2 542.617 6.352 40 30 KKEBLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC(C)c1ccc(Br)cc1 ZINC000097980705 553990690 /nfs/dbraw/zinc/99/06/90/553990690.db2.gz JBNICMGFPBFFEK-UCQKPKSFSA-N 0 2 519.377 5.003 40 30 KKEBLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC(C)c1ccc2c(c1)Nc1ccccc1S2 ZINC000097980707 553990696 /nfs/dbraw/zinc/99/06/96/553990696.db2.gz BYYVXQVOLQGLTF-RHANQZHGSA-N 0 2 561.645 6.449 40 30 KKEBLN Cc1ccc(NC(=O)CC2S/C(=N\c3ccc(OC(F)F)cc3)N([C@@H](C)CCC(C)C)C2=O)c([N+](=O)[O-])c1 ZINC000097982039 553999157 /nfs/dbraw/zinc/99/91/57/553999157.db2.gz KNXVOFOQNUXTSD-XNWNYDANSA-N 0 2 548.612 6.290 40 30 KKEBLN Cc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccc(OC(F)F)cc3)N([C@@H](C)CCC(C)C)C2=O)c([N+](=O)[O-])c1 ZINC000097982039 553999163 /nfs/dbraw/zinc/99/91/63/553999163.db2.gz KNXVOFOQNUXTSD-XNWNYDANSA-N 0 2 548.612 6.290 40 30 KKEBLN Cc1ccc(/N=C2/SC(CC(=O)Nc3ccc(C)cc3[N+](=O)[O-])C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000097982065 553999551 /nfs/dbraw/zinc/99/95/51/553999551.db2.gz NIYIHGQDUNFETO-IVMFAJHQSA-N 0 2 532.578 5.101 40 30 KKEBLN Cc1ccc(/N=C2/S[C@H](CC(=O)Nc3ccc(C)cc3[N+](=O)[O-])C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000097982065 553999554 /nfs/dbraw/zinc/99/95/54/553999554.db2.gz NIYIHGQDUNFETO-IVMFAJHQSA-N 0 2 532.578 5.101 40 30 KKEBLN O=C(CC1S/C(=N\c2cccc(Cl)c2)N(Cc2ccccn2)C1=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000097982067 553999559 /nfs/dbraw/zinc/99/95/59/553999559.db2.gz RTUXPSKBSVTJAA-NPOVLEECSA-N 0 2 553.393 6.568 40 30 KKEBLN O=C(C[C@H]1S/C(=N\c2cccc(Cl)c2)N(Cc2ccccn2)C1=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000097982067 553999561 /nfs/dbraw/zinc/99/95/61/553999561.db2.gz RTUXPSKBSVTJAA-NPOVLEECSA-N 0 2 553.393 6.568 40 30 KKEBLN C#CCOc1c(CC=C)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC ZINC000059198271 554384724 /nfs/dbraw/zinc/38/47/24/554384724.db2.gz QIRZAMSKLPMXGJ-XSFVSMFZSA-N 0 2 509.356 5.095 40 30 KKEBLN COc1ccc(/N=C2/S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000059254548 554387129 /nfs/dbraw/zinc/38/71/29/554387129.db2.gz FWMOSYFFEPNGIS-ZSUDGOGXSA-N 0 2 523.586 5.012 40 30 KKEBLN COc1ccc(/N=C2/SC(CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000059254548 554387127 /nfs/dbraw/zinc/38/71/27/554387127.db2.gz FWMOSYFFEPNGIS-ZSUDGOGXSA-N 0 2 523.586 5.012 40 30 KKEBLN O=C(CSc1nc2ccc(/N=C/c3cc([N+](=O)[O-])ccc3O)cc2s1)Nc1cccc(C(F)(F)F)c1 ZINC000100457610 554397025 /nfs/dbraw/zinc/39/70/25/554397025.db2.gz LGXPRQXYBZORAD-LUOAPIJWSA-N 0 2 532.525 6.410 40 30 KKEBLN Cc1ccc(NC(=O)CSc2nc3ccc(/N=C/c4ccc(O)c([N+](=O)[O-])c4)cc3s2)cc1Cl ZINC000059483460 554397416 /nfs/dbraw/zinc/39/74/16/554397416.db2.gz YNPHSKVOCPTFBN-OPEKNORGSA-N 0 2 513.000 6.353 40 30 KKEBLN O=C(C[C@@H]1S/C(=N/N=C/C=C/c2ccccc2)N(c2ccc(O)cc2)C1=O)Nc1ccc(Br)cc1 ZINC000100844156 554490582 /nfs/dbraw/zinc/49/05/82/554490582.db2.gz XGUHMSQCOPCGTA-NLIPWEDLSA-N 0 2 549.450 5.687 40 30 KKEBLN O=C(C[C@@H]1S/C(=N\N=C\c2ccc(Br)cc2)N(c2ccc(O)cc2)C1=O)Nc1ccc(Br)cc1 ZINC000100849914 554492532 /nfs/dbraw/zinc/49/25/32/554492532.db2.gz CYEPQYVROKRGFV-AQHNTGAKSA-N 0 2 602.308 5.785 40 30 KKEBLN Oc1c(Cl)cc(Cl)cc1/C=N/N=C(C(=N/N=C/c1cc(Cl)cc(Cl)c1O)\c1ccccc1)/c1ccccc1 ZINC000100951587 554537533 /nfs/dbraw/zinc/53/75/33/554537533.db2.gz YKQZMBWPMSWJBJ-KBJRLDKBSA-N 0 2 584.290 8.058 40 30 KKEBLN O=[N+]([O-])c1cc(Cc2ccccc2Cl)cc(/C=N/c2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)c1O ZINC000100953501 554538105 /nfs/dbraw/zinc/53/81/05/554538105.db2.gz TUIHRFGNSLMJGD-XAZZYMPDSA-N 0 2 536.346 7.896 40 30 KKEBLN Oc1cc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2O)ccc1-c1nc2ccccc2s1 ZINC000100958256 554541202 /nfs/dbraw/zinc/54/12/02/554541202.db2.gz RYGCUGATZJMYRE-FJEPWZHXSA-N 0 2 549.877 8.132 40 30 KKEBLN O=C(C[C@@H]1S/C(=N/S(=O)(=O)c2ccc(Br)cc2)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000100972936 554545021 /nfs/dbraw/zinc/54/50/21/554545021.db2.gz CVKNTQXEDNLPCA-LGADCTONSA-N 0 2 578.897 5.325 40 30 KKEBLN Cc1ccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3ccc(Br)cc3)N(C3CCCCC3)C2=O)cc1 ZINC000101042742 554568011 /nfs/dbraw/zinc/56/80/11/554568011.db2.gz BQOFTGGSKMFUQB-RTGZZVAKSA-N 0 2 564.527 5.108 40 30 KKEBLN CCOC(=O)c1ccc(NC(=O)CC2S/C(=N/c3ccc(F)cc3)N(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000101584328 554801402 /nfs/dbraw/zinc/80/14/02/554801402.db2.gz SUAVEHHMNCIKQR-XOFKMUPDSA-N 0 2 535.597 5.172 40 30 KKEBLN CCOC(=O)c1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(F)cc3)N(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000101584328 554801405 /nfs/dbraw/zinc/80/14/05/554801405.db2.gz SUAVEHHMNCIKQR-XOFKMUPDSA-N 0 2 535.597 5.172 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2/SC(CC(=O)Nc3ccc(OC)cc3)C(=O)N2CCc2ccccc2)cc1 ZINC000101663725 554822055 /nfs/dbraw/zinc/82/20/55/554822055.db2.gz NYZHNTRAUUQARH-LUFWVTBTSA-N 0 2 531.634 5.075 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2/S[C@H](CC(=O)Nc3ccc(OC)cc3)C(=O)N2CCc2ccccc2)cc1 ZINC000101663725 554822058 /nfs/dbraw/zinc/82/20/58/554822058.db2.gz NYZHNTRAUUQARH-LUFWVTBTSA-N 0 2 531.634 5.075 40 30 KKEBLN CCCCCCOc1ccc(NC(=O)CC2S/C(=N/c3ccccc3)N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000101662233 554822095 /nfs/dbraw/zinc/82/20/95/554822095.db2.gz JXWOMIGZQNNGSI-SHPHGEFASA-N 0 2 550.124 7.460 40 30 KKEBLN CCCCCCOc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccccc3)N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000101662233 554822098 /nfs/dbraw/zinc/82/20/98/554822098.db2.gz JXWOMIGZQNNGSI-SHPHGEFASA-N 0 2 550.124 7.460 40 30 KKEBLN CCOc1cccc(NC(=O)CC2S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(OC)c(OC)c3)C2=O)c1 ZINC000102406017 554920895 /nfs/dbraw/zinc/92/08/95/554920895.db2.gz RZXKQIKMHCMQPP-XDNZSQCXSA-N 0 2 549.649 5.272 40 30 KKEBLN CCOc1cccc(NC(=O)C[C@H]2S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(OC)c(OC)c3)C2=O)c1 ZINC000102406017 554920896 /nfs/dbraw/zinc/92/08/96/554920896.db2.gz RZXKQIKMHCMQPP-XDNZSQCXSA-N 0 2 549.649 5.272 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3ccc(OCC)cc3)C(=O)N2Cc2cc(F)c(F)c(F)c2F)cc1 ZINC000102406419 554921060 /nfs/dbraw/zinc/92/10/60/554921060.db2.gz PHJIRZNCLHEFGA-BXEUZNCQSA-N 0 2 603.594 5.979 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@H](CC(=O)Nc3ccc(OCC)cc3)C(=O)N2Cc2cc(F)c(F)c(F)c2F)cc1 ZINC000102406419 554921066 /nfs/dbraw/zinc/92/10/66/554921066.db2.gz PHJIRZNCLHEFGA-BXEUZNCQSA-N 0 2 603.594 5.979 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3ccc(OCC)cc3)C(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000102407937 554922285 /nfs/dbraw/zinc/92/22/85/554922285.db2.gz RCGPUTLCAGFACJ-IMEPGBNMSA-N 0 2 575.687 5.474 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@H](CC(=O)Nc3ccc(OCC)cc3)C(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000102407937 554922287 /nfs/dbraw/zinc/92/22/87/554922287.db2.gz RCGPUTLCAGFACJ-IMEPGBNMSA-N 0 2 575.687 5.474 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000102407948 554922299 /nfs/dbraw/zinc/92/22/99/554922299.db2.gz CMFKHWFILIFSQX-RWGGASLPSA-N 0 2 600.524 6.382 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@H](CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000102407948 554922302 /nfs/dbraw/zinc/92/23/02/554922302.db2.gz CMFKHWFILIFSQX-RWGGASLPSA-N 0 2 600.524 6.382 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3ccccc3Cl)C(=O)N2CCc2ccc(F)cc2)cc1 ZINC000102407971 554922527 /nfs/dbraw/zinc/92/25/27/554922527.db2.gz KUPPCSXWLZARLM-XMWFGAJLSA-N 0 2 554.043 5.859 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@H](CC(=O)Nc3ccccc3Cl)C(=O)N2CCc2ccc(F)cc2)cc1 ZINC000102407971 554922528 /nfs/dbraw/zinc/92/25/28/554922528.db2.gz KUPPCSXWLZARLM-XMWFGAJLSA-N 0 2 554.043 5.859 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3ccc(Cl)cc3)C(=O)N2CCc2ccccc2F)cc1 ZINC000102408243 554922537 /nfs/dbraw/zinc/92/25/37/554922537.db2.gz BJWZMJPXSLCWOX-KOHVVVGESA-N 0 2 554.043 5.859 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(Cl)cc3)C(=O)N2CCc2ccccc2F)cc1 ZINC000102408243 554922538 /nfs/dbraw/zinc/92/25/38/554922538.db2.gz BJWZMJPXSLCWOX-KOHVVVGESA-N 0 2 554.043 5.859 40 30 KKEBLN CCCCCCOc1ccc(NC(=O)CC2S/C(=N/c3ccccc3)N(CCc3ccc(OC)cc3)C2=O)cc1 ZINC000102408380 554922764 /nfs/dbraw/zinc/92/27/64/554922764.db2.gz BEXXCLBCWFSBAB-VWPMSSCDSA-N 0 2 559.732 6.857 40 30 KKEBLN CCCCCCOc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccccc3)N(CCc3ccc(OC)cc3)C2=O)cc1 ZINC000102408380 554922768 /nfs/dbraw/zinc/92/27/68/554922768.db2.gz BEXXCLBCWFSBAB-VWPMSSCDSA-N 0 2 559.732 6.857 40 30 KKEBLN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(Cl)cc2)cc1F ZINC000102454090 554933579 /nfs/dbraw/zinc/93/35/79/554933579.db2.gz ZTJSFCKCBAZFRG-AREMUKBSSA-N 0 2 618.111 7.568 40 30 KKEBLN Cc1c(Cl)cccc1NC(=O)CC1S/C(=N\N=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)NC1=O ZINC000102923312 555147761 /nfs/dbraw/zinc/14/77/61/555147761.db2.gz UKHXUISTGUNJMC-LHDZSEQTSA-N 0 2 583.073 6.198 40 30 KKEBLN Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N\N=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)NC1=O ZINC000102923312 555147764 /nfs/dbraw/zinc/14/77/64/555147764.db2.gz UKHXUISTGUNJMC-LHDZSEQTSA-N 0 2 583.073 6.198 40 30 KKEBLN O=C(CC1S/C(=N/c2ccc(SC(F)F)cc2)N(C[C@@H]2CCCO2)C1=O)Nc1ccc(F)cc1 ZINC000102961454 555177167 /nfs/dbraw/zinc/17/71/67/555177167.db2.gz XCUXYOTXEBGERZ-SHLQYIJESA-N 0 2 509.575 5.280 40 30 KKEBLN O=C(C[C@@H]1S/C(=N/c2ccc(SC(F)F)cc2)N(C[C@@H]2CCCO2)C1=O)Nc1ccc(F)cc1 ZINC000102961454 555177168 /nfs/dbraw/zinc/17/71/68/555177168.db2.gz XCUXYOTXEBGERZ-SHLQYIJESA-N 0 2 509.575 5.280 40 30 KKEBLN CCc1ccc(N=C2SC(CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2CCc2ccccn2)cc1 ZINC000102961665 555177565 /nfs/dbraw/zinc/17/75/65/555177565.db2.gz VXFDURZEJVZDNV-SXTXFEDFSA-N 0 2 500.624 5.050 40 30 KKEBLN CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2CCc2ccccn2)cc1 ZINC000102961665 555177567 /nfs/dbraw/zinc/17/75/67/555177567.db2.gz VXFDURZEJVZDNV-SXTXFEDFSA-N 0 2 500.624 5.050 40 30 KKEBLN Cc1ccc(/N=C2\SC(CC(=O)Nc3ccc(C)cc3[N+](=O)[O-])C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000102961684 555177625 /nfs/dbraw/zinc/17/76/25/555177625.db2.gz NIYIHGQDUNFETO-GUMONVLZSA-N 0 2 532.578 5.101 40 30 KKEBLN Cc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(C)cc3[N+](=O)[O-])C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000102961684 555177628 /nfs/dbraw/zinc/17/76/28/555177628.db2.gz NIYIHGQDUNFETO-GUMONVLZSA-N 0 2 532.578 5.101 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N\c3ccc(F)cc3)N([C@@H](C)CCC(C)C)C2=O)c([N+](=O)[O-])c1 ZINC000102961851 555177761 /nfs/dbraw/zinc/17/77/61/555177761.db2.gz AJOWCRSWERVZHS-QGPWZHNMSA-N 0 2 516.595 5.528 40 30 KKEBLN COc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccc(F)cc3)N([C@@H](C)CCC(C)C)C2=O)c([N+](=O)[O-])c1 ZINC000102961851 555177763 /nfs/dbraw/zinc/17/77/63/555177763.db2.gz AJOWCRSWERVZHS-QGPWZHNMSA-N 0 2 516.595 5.528 40 30 KKEBLN O=C(CC1S/C(=N\c2ccc(OC(F)F)cc2)N(C2CCCC2)C1=O)Nc1ccccc1C(F)(F)F ZINC000102961910 555178106 /nfs/dbraw/zinc/17/81/06/555178106.db2.gz QEDNDSRRZNDSDS-TVCDCMLNSA-N 0 2 527.515 6.210 40 30 KKEBLN O=C(C[C@@H]1S/C(=N\c2ccc(OC(F)F)cc2)N(C2CCCC2)C1=O)Nc1ccccc1C(F)(F)F ZINC000102961910 555178109 /nfs/dbraw/zinc/17/81/09/555178109.db2.gz QEDNDSRRZNDSDS-TVCDCMLNSA-N 0 2 527.515 6.210 40 30 KKEBLN O=C(CC1S/C(=N\c2ccccc2)N(Cc2ccc(F)cc2)C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000102962160 555178252 /nfs/dbraw/zinc/17/82/52/555178252.db2.gz XWZIGRYODSCYTK-LCOYAIQXSA-N 0 2 501.505 6.005 40 30 KKEBLN O=C(C[C@H]1S/C(=N\c2ccccc2)N(Cc2ccc(F)cc2)C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000102962160 555178255 /nfs/dbraw/zinc/17/82/55/555178255.db2.gz XWZIGRYODSCYTK-LCOYAIQXSA-N 0 2 501.505 6.005 40 30 KKEBLN O=C(CC1S/C(=N\c2ccccc2)N(Cc2ccc3c(c2)OCO3)C1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000102962149 555178297 /nfs/dbraw/zinc/17/82/97/555178297.db2.gz JUYPLGPQGSPJBU-QRFYQGEOSA-N 0 2 551.624 6.368 40 30 KKEBLN O=C(C[C@H]1S/C(=N\c2ccccc2)N(Cc2ccc3c(c2)OCO3)C1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000102962149 555178300 /nfs/dbraw/zinc/17/83/00/555178300.db2.gz JUYPLGPQGSPJBU-QRFYQGEOSA-N 0 2 551.624 6.368 40 30 KKEBLN O=C(CC1S/C(=N\c2ccccc2)N(Cc2ccc(F)cc2)C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000102962156 555178314 /nfs/dbraw/zinc/17/83/14/555178314.db2.gz XWZIGRYODSCYTK-KUEVPICXSA-N 0 2 501.505 6.005 40 30 KKEBLN O=C(C[C@@H]1S/C(=N\c2ccccc2)N(Cc2ccc(F)cc2)C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000102962156 555178317 /nfs/dbraw/zinc/17/83/17/555178317.db2.gz XWZIGRYODSCYTK-KUEVPICXSA-N 0 2 501.505 6.005 40 30 KKEBLN COc1ccc(OC)c(NC(=O)CC2S/C(=N\c3cc(C)ccc3C)N(Cc3ccc4c(c3)OCO4)C2=O)c1 ZINC000102962330 555178540 /nfs/dbraw/zinc/17/85/40/555178540.db2.gz HXQZAHKQQIWCBW-NFMXCSJRSA-N 0 2 547.633 5.210 40 30 KKEBLN COc1ccc(OC)c(NC(=O)C[C@@H]2S/C(=N\c3cc(C)ccc3C)N(Cc3ccc4c(c3)OCO4)C2=O)c1 ZINC000102962330 555178542 /nfs/dbraw/zinc/17/85/42/555178542.db2.gz HXQZAHKQQIWCBW-NFMXCSJRSA-N 0 2 547.633 5.210 40 30 KKEBLN COc1cc([N+](=O)[O-])ccc1NC(=O)CC1S/C(=N/c2ccc(C)cc2C)N(CCC2=CCCCC2)C1=O ZINC000102962379 555178711 /nfs/dbraw/zinc/17/87/11/555178711.db2.gz GGBZVIYLJCNBIK-YWFCIECYSA-N 0 2 536.654 6.071 40 30 KKEBLN Cc1cccc(/N=C2\SC(CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2CCc2ccc(Cl)cc2Cl)c1C ZINC000102962448 555178753 /nfs/dbraw/zinc/17/87/53/555178753.db2.gz SJDPWTMZWUBIKN-HLNZKSBVSA-N 0 2 594.486 7.832 40 30 KKEBLN Cc1cccc(/N=C2\S[C@@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2CCc2ccc(Cl)cc2Cl)c1C ZINC000102962448 555178755 /nfs/dbraw/zinc/17/87/55/555178755.db2.gz SJDPWTMZWUBIKN-HLNZKSBVSA-N 0 2 594.486 7.832 40 30 KKEBLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC(C)c2cccc(Br)c2)cc1 ZINC000102983357 555189270 /nfs/dbraw/zinc/18/92/70/555189270.db2.gz CYVYRMWNCCOBBJ-OEAKJJBVSA-N 0 2 519.377 5.003 40 30 KKEBLN CCOC(=O)c1ccc(-n2c(C)cc(CN=Nc3ccc([N+](=O)[O-])cc3S(=O)(=O)Nc3ccccc3OC)c2C)cc1 ZINC000102984065 555189896 /nfs/dbraw/zinc/18/98/96/555189896.db2.gz GAEPDVQSYKDHBY-UXHLAJHPSA-N 0 2 591.646 5.434 40 30 KKEBLN Cc1ccc(C)c(/N=C2\SC(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2C[C@H]2CCCO2)c1 ZINC000102996908 555196473 /nfs/dbraw/zinc/19/64/73/555196473.db2.gz SDJBEXBCXURJTL-SSZSZLLRSA-N 0 2 540.900 6.403 40 30 KKEBLN Cc1ccc(C)c(/N=C2\S[C@@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2C[C@H]2CCCO2)c1 ZINC000102996908 555196476 /nfs/dbraw/zinc/19/64/76/555196476.db2.gz SDJBEXBCXURJTL-SSZSZLLRSA-N 0 2 540.900 6.403 40 30 KKEBLN Oc1c(Br)cc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c(O)c1Br ZINC000103428695 555411718 /nfs/dbraw/zinc/41/17/18/555411718.db2.gz MZYLNJPTBWJDKN-ROTLSHHCSA-N 0 2 571.233 5.741 40 30 KKEBLN O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc3nc(Sc4nc(N5CCCCC5)nc(N5CCCCC5)n4)sc3c2)c1 ZINC000103762433 555471898 /nfs/dbraw/zinc/47/18/98/555471898.db2.gz CFMNNIUMCWOAHE-OGLMXYFKSA-N 0 2 576.708 5.978 40 30 KKEBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000103850525 571364698 /nfs/dbraw/zinc/36/46/98/571364698.db2.gz OHYQWOAYRYBLST-SRZZPIQSSA-N 0 2 564.367 5.104 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000103850633 571364701 /nfs/dbraw/zinc/36/47/01/571364701.db2.gz NENUOPXVGNTXMS-LPYMAVHISA-N 0 2 553.359 5.701 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000103859487 571367067 /nfs/dbraw/zinc/36/70/67/571367067.db2.gz SRJDBKIAPXWNKP-OEAKJJBVSA-N 0 2 592.402 5.340 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OCc1cccc(F)c1 ZINC000103859467 571367075 /nfs/dbraw/zinc/36/70/75/571367075.db2.gz WXYGRFQOHBQOIP-OEAKJJBVSA-N 0 2 565.395 5.571 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OCc1ccccc1F ZINC000103859462 571367152 /nfs/dbraw/zinc/36/71/52/571367152.db2.gz XSDGUJZINZSREE-HYARGMPZSA-N 0 2 565.395 5.571 40 30 KKEBLN Oc1c(Cl)cc(Cl)cc1CN=Nc1nnc(N=NCc2cc(Cl)cc(Cl)c2O)c2ccccc21 ZINC000104079658 571372386 /nfs/dbraw/zinc/37/23/86/571372386.db2.gz WAQIATXYLWKENY-YEBYOEETSA-N 0 2 536.206 6.547 40 30 KKEBLN N#Cc1c(/N=C/c2cc(I)cc(I)c2O)sc2c1CCCC2 ZINC000105502171 571406774 /nfs/dbraw/zinc/40/67/74/571406774.db2.gz RDSIKEWCJXELLT-DNTJNYDQSA-N 0 2 534.160 5.164 40 30 KKEBLN Oc1cc(Br)c(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2O)c(Br)c1 ZINC000106000456 571410044 /nfs/dbraw/zinc/41/00/44/571410044.db2.gz VKUZDMLGZRPCBX-KIBLKLHPSA-N 0 2 574.494 7.380 40 30 KKEBLN O=[N+]([O-])c1cc(Cc2ccccc2)cc(/C=N/c2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)c1O ZINC000109503613 571429309 /nfs/dbraw/zinc/42/93/09/571429309.db2.gz JEUNXNDOFGDEJL-WKULSOCRSA-N 0 2 544.361 6.918 40 30 KKEBLN Oc1c(Br)cc(/C=N/c2ccc3nc(Sc4nc(Nc5ccccc5)nc(Nc5ccccc5)n4)sc3c2)cc1Br ZINC000150383251 571467715 /nfs/dbraw/zinc/46/77/15/571467715.db2.gz UYLLNCISUZNUPM-KPGMTVGESA-N 0 2 705.461 9.101 40 30 KKEBLN Cc1ccc(NC(=O)CSc2nc3ccc(/N=C/c4cc(I)c(O)c(I)c4)cc3s2)cc1Cl ZINC000150384275 571468230 /nfs/dbraw/zinc/46/82/30/571468230.db2.gz VYYNGKVCLPAKJN-YPXUMCKCSA-N 0 2 719.795 7.654 40 30 KKEBLN O=S1(=O)c2cc(/N=C/c3cc(Br)cc(Cl)c3O)ccc2-c2ccc(/N=C/c3cc(Br)cc(Cl)c3O)cc21 ZINC000150406365 571479560 /nfs/dbraw/zinc/47/95/60/571479560.db2.gz GMOZZHVEGZXHJO-PHBQLMGTSA-N 0 2 681.189 8.244 40 30 KKEBLN COc1ccc(C(=O)/C=C/c2ccc(OCCSCCCCCCCCCCSCCOc3ccc(/C=C\C(=O)c4ccc(OC)c(OC)c4)cc3)cc2)cc1OC ZINC000150441072 571498180 /nfs/dbraw/zinc/49/81/80/571498180.db2.gz CKRPKOUXYJQIJF-WTHRLWDASA-N 0 2 827.118 11.558 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000150477745 571511301 /nfs/dbraw/zinc/51/13/01/571511301.db2.gz XCNGRGZIZAQWRX-OEAKJJBVSA-N 0 2 626.301 6.194 40 30 KKEBLN CCCCCCCCCCCCCCCCCC[C@H]1CC(=O)N(c2ccc(Cl)c(Nc3[nH]n(-c4c(Cl)cc(Cl)cc4Cl)c(=O)c3N=Nc3ccc(O)cc3Cl)c2)C1=O ZINC000150560232 571521230 /nfs/dbraw/zinc/52/12/30/571521230.db2.gz MBZDNWOFYBFREC-QLITUVHASA-N 0 2 893.184 14.115 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000164316936 571545618 /nfs/dbraw/zinc/54/56/18/571545618.db2.gz MDXPELGKIBLDRY-KCSSXMTESA-N 0 2 698.601 7.733 40 30 KKEBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000164468755 571548580 /nfs/dbraw/zinc/54/85/80/571548580.db2.gz SFMZAIFDJQELAM-SRZZPIQSSA-N 0 2 672.273 5.569 40 30 KKEBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000164470721 571548670 /nfs/dbraw/zinc/54/86/70/571548670.db2.gz TYEINMAOJHBJOM-SRZZPIQSSA-N 0 2 625.273 5.727 40 30 KKEBLN O=C1/C(=C/c2cc(Cl)c(O)c(Cl)c2)S/C(=N\c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000408529433 572168276 /nfs/dbraw/zinc/16/82/76/572168276.db2.gz HGOBRBJPIWTXAP-PMCGIYOFSA-N 0 2 510.229 7.814 40 30 KKEBLN CCCCCCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OCC ZINC000408537162 572193795 /nfs/dbraw/zinc/19/37/95/572193795.db2.gz CIHLJGULHAIROX-NKFKGCMQSA-N 0 2 522.598 5.278 40 30 KKEBLN CCCCCCCCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408537961 572196576 /nfs/dbraw/zinc/19/65/76/572196576.db2.gz IPHBRZYJYREWFE-PGMHBOJBSA-N 0 2 533.850 6.508 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OCC ZINC000408538460 572198205 /nfs/dbraw/zinc/19/82/05/572198205.db2.gz NENBPLNFMKNHAB-RRAHZORUSA-N 0 2 605.131 7.723 40 30 KKEBLN CCCCCCCCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O ZINC000408538753 572199637 /nfs/dbraw/zinc/19/96/37/572199637.db2.gz QEWNWNLQIDLFIR-RCCKNPSSSA-N 0 2 503.426 6.708 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OCC ZINC000408539216 572201409 /nfs/dbraw/zinc/20/14/09/572201409.db2.gz FXCRVXSXMVHKAA-KGENOOAVSA-N 0 2 547.479 7.106 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000408539458 572202055 /nfs/dbraw/zinc/20/20/55/572202055.db2.gz WJJWQYAAESEAPO-ZHZULCJRSA-N 0 2 563.876 6.517 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OC ZINC000408539612 572202959 /nfs/dbraw/zinc/20/29/59/572202959.db2.gz IQSAQNHAFJMRMV-RGEXLXHISA-N 0 2 577.903 6.825 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCCC)c(OCC)c3)C2=O)cc1Cl ZINC000408539968 572204092 /nfs/dbraw/zinc/20/40/92/572204092.db2.gz LBNWJRVEZPPIQA-CJLVFECKSA-N 0 2 591.532 7.587 40 30 KKEBLN CCCCCCCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCCC)c(OCC)c3)C2=O)cc1OCC ZINC000408539996 572204181 /nfs/dbraw/zinc/20/41/81/572204181.db2.gz LNQIVGHCAAWNJT-LKUDQCMESA-N 0 2 566.695 6.679 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCCC)c(OCC)c3)C2=O)cc1OCC ZINC000408539964 572204213 /nfs/dbraw/zinc/20/42/13/572204213.db2.gz KZERTDCQGFWIMQ-HKOYGPOVSA-N 0 2 601.140 7.332 40 30 KKEBLN CCCCCCCCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OCCC)c(OCC)c2)C1=O ZINC000408540150 572204647 /nfs/dbraw/zinc/20/46/47/572204647.db2.gz NTKJTSSMQFIKAQ-LYBHJNIJSA-N 0 2 557.087 6.933 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OCC ZINC000408540903 572206920 /nfs/dbraw/zinc/20/69/20/572206920.db2.gz WVLMHYGLGIGMBA-PGMHBOJBSA-N 0 2 543.458 6.254 40 30 KKEBLN Cc1c(/N=C2\SC(CC(=O)Nc3ccc4ccccc4c3)C(=O)N2[C@@H]2CCCC[C@H]2C)c(=O)n(-c2ccccc2)n1C ZINC000255961509 572304160 /nfs/dbraw/zinc/30/41/60/572304160.db2.gz OHYOFOSSPAQIJU-ODJCODSKSA-N 0 2 581.742 6.177 40 30 KKEBLN Cc1c(/N=C2\S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2[C@@H]2CCCC[C@H]2C)c(=O)n(-c2ccccc2)n1C ZINC000255961509 572304161 /nfs/dbraw/zinc/30/41/61/572304161.db2.gz OHYOFOSSPAQIJU-ODJCODSKSA-N 0 2 581.742 6.177 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408776222 1069881844 /nfs/dbraw/zinc/88/18/44/1069881844.db2.gz VOAKRVILKRZOMU-HZHRSRAPSA-N 0 2 531.406 5.731 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OCc1ccc2ccccc2c1 ZINC000408774575 1069890301 /nfs/dbraw/zinc/89/03/01/1069890301.db2.gz MKIKYUOLDYHFCN-MTDXEUNCSA-N 0 2 532.596 6.131 40 30 KKEBLN C=CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1=O ZINC000408825870 1070001580 /nfs/dbraw/zinc/00/15/80/1070001580.db2.gz JVBJGYXZANVSLO-NLRVBDNBSA-N 0 2 538.987 6.303 40 30 KKEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1OC ZINC000408836365 1070026936 /nfs/dbraw/zinc/02/69/36/1070026936.db2.gz QNCQAQRDTRMABZ-LPYMAVHISA-N 0 2 553.398 5.812 40 30 KKEBLN C=CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)cc1OC ZINC000408833584 1070031737 /nfs/dbraw/zinc/03/17/37/1070031737.db2.gz RVTLGHBMZYZZMK-VSXUNDGWSA-N 0 2 751.621 7.409 40 30 KKEBLN O=C1/C(=C/c2cc(Br)c(O)c(Br)c2)S/C(=N\c2ccccc2F)N1C1CCCCC1 ZINC000408872435 1070097249 /nfs/dbraw/zinc/09/72/49/1070097249.db2.gz NIVGDZBCHNDPRE-RDMANLHCSA-N 0 2 554.279 6.993 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408982419 1070340503 /nfs/dbraw/zinc/34/05/03/1070340503.db2.gz GXGLITQAVWVRQF-HAHDFKILSA-N 0 2 535.427 6.530 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409064207 1070479670 /nfs/dbraw/zinc/47/96/70/1070479670.db2.gz CDODQRAAMYVBSV-HYARGMPZSA-N 0 2 631.888 5.274 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000409074315 1070500945 /nfs/dbraw/zinc/50/09/45/1070500945.db2.gz SZYLCFKDRYUXHW-LPYMAVHISA-N 0 2 551.426 6.284 40 30 KKEBLN CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cc(Br)c(O)c(I)c3)c2C(=O)NCc2ccco2)C1 ZINC000409079246 1070515089 /nfs/dbraw/zinc/51/50/89/1070515089.db2.gz KSFUPDPFDOCXGB-DBUPPGCOSA-N 0 2 641.369 7.245 40 30 KKEBLN Cc1ccc(/N=C2\S/C(=C/c3cc(Br)c(O)c(Br)c3)C(=O)N2c2ccc(C)c(Cl)c2)cc1Cl ZINC000409079361 1070515222 /nfs/dbraw/zinc/51/52/22/1070515222.db2.gz FNYUANVZGWMPID-BMCAMTEYSA-N 0 2 627.185 8.649 40 30 KKEBLN COc1cc(C=C2SC(=N)C(c3nccs3)=C2O)c(Br)cc1OCc1ccccc1C#N ZINC000409335627 1070855731 /nfs/dbraw/zinc/85/57/31/1070855731.db2.gz KUVUWDATJLGJER-CWWMFLHGSA-N 0 2 526.437 5.783 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000408909207 1070979388 /nfs/dbraw/zinc/97/93/88/1070979388.db2.gz FRCMZGAIQMJQOR-ZVHZXABRSA-N 0 2 579.422 5.961 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408915508 1071008041 /nfs/dbraw/zinc/00/80/41/1071008041.db2.gz WOQJXJBTANBCKI-ZVHZXABRSA-N 0 2 545.523 5.107 40 30 KKEBLN Cc1ccc(/N=C2\S/C(=C/c3cc(Br)c(O)c(Br)c3)C(=O)N2CC(C)C)cc1 ZINC000408914258 1071013764 /nfs/dbraw/zinc/01/37/64/1071013764.db2.gz UEZBIRXNYKRBNZ-BGGVIUSWSA-N 0 2 524.278 6.486 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000408951960 1071348202 /nfs/dbraw/zinc/34/82/02/1071348202.db2.gz NBGHBEYOHKMGMT-HNSNBQBZSA-N 0 2 616.758 7.527 40 30 KKEBLN C#CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OC ZINC000408950453 1071355870 /nfs/dbraw/zinc/35/58/70/1071355870.db2.gz KIEJMHLQMQNMJW-WYMPLXKRSA-N 0 2 589.486 5.604 40 30 KKEBLN C#CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Br ZINC000408948769 1071363995 /nfs/dbraw/zinc/36/39/95/1071363995.db2.gz GNPLPLFSUHYGQG-FOKLQQMPSA-N 0 2 638.356 6.358 40 30 KKEBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000408953984 1071393173 /nfs/dbraw/zinc/39/31/73/1071393173.db2.gz QSYIKUFJAYXVMB-AMVVHIIESA-N 0 2 680.599 7.433 40 30 KKEBLN C[NH+](C)c1ccc(-n2cccc2/C=C2\SC(=Nc3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000408959658 1071435937 /nfs/dbraw/zinc/43/59/37/1071435937.db2.gz CRMVRSSPJBWYPI-BOJSJVFISA-N 0 2 522.630 6.046 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccccc1C#N ZINC000408987244 1071481738 /nfs/dbraw/zinc/48/17/38/1071481738.db2.gz FHYBAYRWZPDLPU-QFEZKATASA-N 0 2 556.018 5.893 40 30 KKEBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000408986055 1071492340 /nfs/dbraw/zinc/49/23/40/1071492340.db2.gz ZFUJBJFREAPQDL-QRVIBDJDSA-N 0 2 529.980 5.418 40 30 KKEBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(OC)c(OCc4ccccc4C#N)cc3Br)C2=O)cc1 ZINC000408983989 1071513734 /nfs/dbraw/zinc/51/37/34/1071513734.db2.gz PDGUEVUAXNFXHM-UUYOSTAYSA-N 0 2 560.404 5.137 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000408981933 1071531404 /nfs/dbraw/zinc/53/14/04/1071531404.db2.gz FANUBFXZDNAOOE-ULJHMMPZSA-N 0 2 500.982 5.876 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 ZINC000408994735 1071556821 /nfs/dbraw/zinc/55/68/21/1071556821.db2.gz ZYNHBQZYADXITK-QRVIBDJDSA-N 0 2 589.442 5.714 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408991971 1071576626 /nfs/dbraw/zinc/57/66/26/1071576626.db2.gz RVKUOWUCDSYJJW-VEILYXNESA-N 0 2 595.493 7.139 40 30 KKEBLN C[C@@H](c1cc(Br)c(O)c(Br)c1)C1=C(c2c(N)ccc3ccccc32)CC(C)(C)CC1=O ZINC000408731067 1071584030 /nfs/dbraw/zinc/58/40/30/1071584030.db2.gz ISWDPRZTZYULQE-AWEZNQCLSA-N 0 2 543.299 7.599 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OCc1cccc(C)c1 ZINC000408990528 1071589101 /nfs/dbraw/zinc/58/91/01/1071589101.db2.gz NRVKNEYCBKBPNO-MYYYXRDXSA-N 0 2 545.035 6.329 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000408990543 1071589641 /nfs/dbraw/zinc/58/96/41/1071589641.db2.gz NXEFKCCHJYEJHS-ONUIUJJFSA-N 0 2 528.580 5.761 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OCc1ccccc1 ZINC000408988833 1071599920 /nfs/dbraw/zinc/59/99/20/1071599920.db2.gz RSOAYFHCUNVTJJ-UCQKPKSFSA-N 0 2 516.981 5.631 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1ccc2ccccc2c1 ZINC000408988126 1071607318 /nfs/dbraw/zinc/60/73/18/1071607318.db2.gz GYQRVQVYJWKDPC-CEUNXORHSA-N 0 2 546.623 6.385 40 30 KKEBLN O=C1NC(=Nc2cccc(Br)c2)S/C1=C\c1cc(Br)c(O)c(Br)c1 ZINC000408741877 1071623297 /nfs/dbraw/zinc/62/32/97/1071623297.db2.gz OGOGKEWISFMBOK-MLPAPPSSSA-N 0 2 533.039 5.571 40 30 KKEBLN O=C1NC(=Nc2ccc([N+](=O)[O-])cc2Br)S/C1=C/c1cc(Br)c(O)c(Br)c1 ZINC000408754553 1071651093 /nfs/dbraw/zinc/65/10/93/1071651093.db2.gz WHCVZPLUIHFKGH-WLRTZDKTSA-N 0 2 578.036 5.480 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OC)c1OCc1cccc(C)c1 ZINC000408753188 1071659263 /nfs/dbraw/zinc/65/92/63/1071659263.db2.gz FBCIEFQPQFNNKA-BUVRLJJBSA-N 0 2 575.459 6.048 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408752287 1071666021 /nfs/dbraw/zinc/66/60/21/1071666021.db2.gz CXCRCKXOTWVCMZ-OVVQPSECSA-N 0 2 581.466 6.885 40 30 KKEBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000408766395 1071714514 /nfs/dbraw/zinc/71/45/14/1071714514.db2.gz PXJHROPKNBQVFE-LQKURTRISA-N 0 2 609.480 6.282 40 30 KKEBLN N#Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)o2)cc1 ZINC000409022066 1071720482 /nfs/dbraw/zinc/72/04/82/1071720482.db2.gz DJEYLHLUPUXFIW-MZJWZYIUSA-N 0 2 517.585 5.952 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408766628 1071718288 /nfs/dbraw/zinc/71/82/88/1071718288.db2.gz WAMAPEPSPFREHP-OEAKJJBVSA-N 0 2 624.329 6.802 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408764504 1071728408 /nfs/dbraw/zinc/72/84/08/1071728408.db2.gz XDTBDFYGYSGMJJ-LPYMAVHISA-N 0 2 628.292 6.633 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408776776 1071748540 /nfs/dbraw/zinc/74/85/40/1071748540.db2.gz QPBAEMPSTANPFU-OEAKJJBVSA-N 0 2 549.396 5.871 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000408772710 1071772248 /nfs/dbraw/zinc/77/22/48/1071772248.db2.gz FICOEAVDHCERAR-PCLIKHOPSA-N 0 2 575.459 6.130 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408772728 1071772798 /nfs/dbraw/zinc/77/27/98/1071772798.db2.gz FKKKMWFJMFULFM-HZHRSRAPSA-N 0 2 598.824 5.919 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408771426 1071779564 /nfs/dbraw/zinc/77/95/64/1071779564.db2.gz HZRJOFDYGJJTPZ-WGOQTCKBSA-N 0 2 555.587 5.584 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000408770829 1071784941 /nfs/dbraw/zinc/78/49/41/1071784941.db2.gz AHAVTOJIWCDPKJ-WGOQTCKBSA-N 0 2 528.580 5.815 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408769337 1071794445 /nfs/dbraw/zinc/79/44/45/1071794445.db2.gz RKFJBTPAHSEPND-PCLIKHOPSA-N 0 2 511.534 5.186 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408782435 1071810666 /nfs/dbraw/zinc/81/06/66/1071810666.db2.gz HAPVCOWDGALSJP-FSJBWODESA-N 0 2 614.323 7.347 40 30 KKEBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000408782349 1071812491 /nfs/dbraw/zinc/81/24/91/1071812491.db2.gz FYODEEUTQBNDAW-KEBDBYFISA-N 0 2 566.795 5.228 40 30 KKEBLN N#Cc1ccccc1COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1I ZINC000408781453 1071818155 /nfs/dbraw/zinc/81/81/55/1071818155.db2.gz SMDAEKWASBWDOF-DJKKODMXSA-N 0 2 709.665 5.666 40 30 KKEBLN COCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)c(O)c(Cl)c2)C2=C1CC(C)(C)CC2=O ZINC000409045920 1071835922 /nfs/dbraw/zinc/83/59/22/1071835922.db2.gz PZRQCEFZTCMMSR-UHFFFAOYSA-N 0 2 506.470 6.421 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408786916 1071845915 /nfs/dbraw/zinc/84/59/15/1071845915.db2.gz XLEZOSGVEWXPHP-BUVRLJJBSA-N 0 2 545.433 6.040 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408786687 1071849081 /nfs/dbraw/zinc/84/90/81/1071849081.db2.gz URLLUZMATQZISD-LFVJCYFKSA-N 0 2 578.406 5.574 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000408784462 1071863984 /nfs/dbraw/zinc/86/39/84/1071863984.db2.gz SUWIHIFMDMPGJM-TURZUDJPSA-N 0 2 502.570 6.122 40 30 KKEBLN N#Cc1ccccc1COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br ZINC000408782885 1071874403 /nfs/dbraw/zinc/87/44/03/1071874403.db2.gz KHBWSHWFIARVTC-DJKKODMXSA-N 0 2 571.214 5.873 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408789040 1071897304 /nfs/dbraw/zinc/89/73/04/1071897304.db2.gz IMKIXLLDHOGEHJ-PCLIKHOPSA-N 0 2 500.982 5.931 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000409066447 1071994838 /nfs/dbraw/zinc/99/48/38/1071994838.db2.gz NDAZOYAOQIGBTL-ZVHZXABRSA-N 0 2 531.008 5.939 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409064297 1072016993 /nfs/dbraw/zinc/01/69/93/1072016993.db2.gz CZNCTPWRRSMZDY-UDWIEESQSA-N 0 2 621.882 5.818 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000409064129 1072018061 /nfs/dbraw/zinc/01/80/61/1072018061.db2.gz GKTKANIGTVAYIN-OEAKJJBVSA-N 0 2 563.404 5.137 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409074388 1072039926 /nfs/dbraw/zinc/03/99/26/1072039926.db2.gz QPZIPLWVXUDVPH-OEAKJJBVSA-N 0 2 547.951 5.231 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OC)c1OCc1cccc(F)c1 ZINC000409073830 1072071568 /nfs/dbraw/zinc/07/15/68/1072071568.db2.gz NPTIZEKJHBDDPD-NDZAJKAJSA-N 0 2 592.623 6.387 40 30 KKEBLN C=CCOc1c(CC=C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC ZINC000409073724 1072073314 /nfs/dbraw/zinc/07/33/14/1072073314.db2.gz XDTBYRCACCPEEE-LDADJPATSA-N 0 2 501.366 5.352 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409072767 1072081321 /nfs/dbraw/zinc/08/13/21/1072081321.db2.gz KWZGPXOHPSNOIC-BUVRLJJBSA-N 0 2 551.426 6.366 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000409071766 1072086196 /nfs/dbraw/zinc/08/61/96/1072086196.db2.gz LFLBGLOPXKLUIO-LFVJCYFKSA-N 0 2 516.981 5.713 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000409068327 1072112767 /nfs/dbraw/zinc/11/27/67/1072112767.db2.gz RXUXELXOWANJCP-XQNSMLJCSA-N 0 2 516.981 5.713 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409080090 1072125636 /nfs/dbraw/zinc/12/56/36/1072125636.db2.gz HQMWWHOFXUYYCS-CIAFOILYSA-N 0 2 606.975 6.051 40 30 KKEBLN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O)c(Br)c1 ZINC000409310737 1072180627 /nfs/dbraw/zinc/18/06/27/1072180627.db2.gz BOPRZGHLCDMXBI-SNVBAGLBSA-N 0 2 558.068 5.785 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409083123 1072205206 /nfs/dbraw/zinc/20/52/06/1072205206.db2.gz RXZQFYRUVFMIRT-UDWIEESQSA-N 0 2 585.466 5.949 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409082382 1072213950 /nfs/dbraw/zinc/21/39/50/1072213950.db2.gz JBYWXVKVVCUYKA-FYJGNVAPSA-N 0 2 660.399 6.962 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409082257 1072215912 /nfs/dbraw/zinc/21/59/12/1072215912.db2.gz RUAFGYCZWRVYQI-OEAKJJBVSA-N 0 2 609.557 6.816 40 30 KKEBLN Cc1ccc(/N=C2\S/C(=C/c3cc(Cl)c(O)c(Cl)c3)C(=O)N2c2ccc(C)c(Cl)c2)cc1Cl ZINC000409091794 1072267890 /nfs/dbraw/zinc/26/78/90/1072267890.db2.gz UUKRPIHUBBVNPP-BMCAMTEYSA-N 0 2 538.283 8.431 40 30 KKEBLN CCc1nnc(C2=C(O)C(=Cc3ccc(OCc4ccc(Br)cc4)cc3)SC2=N)s1 ZINC000409336150 1072334420 /nfs/dbraw/zinc/33/44/20/1072334420.db2.gz LYCADIHUIKRFHX-ANFUGJHOSA-N 0 2 500.443 5.860 40 30 KKEBLN CCc1nnc(C2=C(O)C(=Cc3ccc(OCc4ccc(Br)cc4)c(OC)c3)SC2=N)s1 ZINC000409335610 1072337134 /nfs/dbraw/zinc/33/71/34/1072337134.db2.gz KRWUTAHLKMDSHG-BAIFKEBXSA-N 0 2 530.469 5.868 40 30 KKEBLN CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)cc(I)c1OCc1ccc(Br)cc1 ZINC000409335637 1072337274 /nfs/dbraw/zinc/33/72/74/1072337274.db2.gz KZGMFDFUAPEINJ-WSAQVMDCSA-N 0 2 670.392 6.863 40 30 KKEBLN COc1cc(C=C2SC(=N)C(c3nccs3)=C2O)cc(Br)c1OCc1ccccc1 ZINC000409337000 1072406537 /nfs/dbraw/zinc/40/65/37/1072406537.db2.gz SFCBMRNPYUJIFC-IQHNMLNVSA-N 0 2 501.427 5.911 40 30 KKEBLN CCc1nnc(C2=C(O)C(=Cc3ccc(OCc4cccc5ccccc54)c(OC)c3)SC2=N)s1 ZINC000409337650 1072492318 /nfs/dbraw/zinc/49/23/18/1072492318.db2.gz XBPPZRJHFQXZNF-QNGHMQJGSA-N 0 2 501.633 6.259 40 30 KKEBLN CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)ccc1OCc1c(C)cc(C)cc1C ZINC000409337672 1072492897 /nfs/dbraw/zinc/49/28/97/1072492897.db2.gz XQWLLOOFLNIZPB-HXAXYJCOSA-N 0 2 507.681 6.421 40 30 KKEBLN CCc1nnc(C2=C(O)C(=Cc3ccc(OCc4cc(OC)ccc4OC)c(OC)c3)SC2=N)s1 ZINC000409337343 1072495097 /nfs/dbraw/zinc/49/50/97/1072495097.db2.gz UDDJCNZTXGNERD-PAWBPZTRSA-N 0 2 511.625 5.123 40 30 KKEBLN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)N[C@H](Cc2ccccc2)c2n[nH]c(=O)[nH]2)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547139076 1073184145 /nfs/dbraw/zinc/18/41/45/1073184145.db2.gz DKBSTBSSKJPASL-ODDURFKXSA-N 0 2 719.216 5.912 40 30 KKEBLN CCOC(=O)c1c(/N=C/c2cc(Br)c(O)c(Br)c2O)sc2c1CCCC2 ZINC000000690246 551527355 /nfs/dbraw/zinc/52/73/55/551527355.db2.gz PKJIWSJIPHXNDV-ODCIPOBUSA-N 0 2 503.212 5.490 40 30 KKEBLN N#Cc1nc(CC(=O)c2ccc(Cl)cc2Cl)c(CC(=O)c2ccc(Cl)cc2Cl)nc1C#N ZINC000001588976 551685557 /nfs/dbraw/zinc/68/55/57/551685557.db2.gz JOAZDGFIJLMFLI-UHFFFAOYSA-N 0 2 504.160 5.684 40 30 KKEBLN CCc1ccc2oc(-c3cc(/N=C/c4ccc(OC(=O)c5cc(Cl)ccc5Cl)cc4)ccc3O)nc2c1 ZINC000003032380 552268101 /nfs/dbraw/zinc/26/81/01/552268101.db2.gz IRJZDGDMJQLTLV-KPGMTVGESA-N 0 2 531.395 8.039 40 30 KKEBLN Oc1c(Br)cc(Cl)cc1/C=N/c1ccc(/N=C/c2cc(Cl)cc(Br)c2O)cc1 ZINC000003192595 552302368 /nfs/dbraw/zinc/30/23/68/552302368.db2.gz ZNRNMWMPPBHNIA-ZZULHHKVSA-N 0 2 543.042 7.431 40 30 KKEBLN Cc1ccccc1/N=C1\SC(CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000003251781 552322819 /nfs/dbraw/zinc/32/28/19/552322819.db2.gz DLGPUDZNSOQOLI-SQVRLAAPSA-N 0 2 509.534 5.162 40 30 KKEBLN Cc1ccccc1/N=C1\S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000003251781 552322824 /nfs/dbraw/zinc/32/28/24/552322824.db2.gz DLGPUDZNSOQOLI-SQVRLAAPSA-N 0 2 509.534 5.162 40 30 KKEBLN O=C(CC1S/C(=N\c2ccccc2)N(Cc2ccc(F)cc2)C1=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003262864 552327376 /nfs/dbraw/zinc/32/73/76/552327376.db2.gz CNRAMKJACNPTSW-LCOYAIQXSA-N 0 2 535.950 6.658 40 30 KKEBLN O=C(C[C@H]1S/C(=N\c2ccccc2)N(Cc2ccc(F)cc2)C1=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003262864 552327378 /nfs/dbraw/zinc/32/73/78/552327378.db2.gz CNRAMKJACNPTSW-LCOYAIQXSA-N 0 2 535.950 6.658 40 30 KKEBLN Cc1ccc(C)c(/N=C2/SC(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2C[C@H]2CCCO2)c1 ZINC000003349976 552366796 /nfs/dbraw/zinc/36/67/96/552366796.db2.gz SDJBEXBCXURJTL-GQBIXPTKSA-N 0 2 540.900 6.403 40 30 KKEBLN Cc1ccc(C)c(/N=C2/S[C@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2C[C@H]2CCCO2)c1 ZINC000003349976 552366798 /nfs/dbraw/zinc/36/67/98/552366798.db2.gz SDJBEXBCXURJTL-GQBIXPTKSA-N 0 2 540.900 6.403 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N/c3ccc(F)cc3)N([C@@H](C)CCC(C)C)C2=O)c([N+](=O)[O-])c1 ZINC000015911363 553541116 /nfs/dbraw/zinc/54/11/16/553541116.db2.gz AJOWCRSWERVZHS-ZRGIPMBISA-N 0 2 516.595 5.528 40 30 KKEBLN COc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(F)cc3)N([C@@H](C)CCC(C)C)C2=O)c([N+](=O)[O-])c1 ZINC000015911363 553541117 /nfs/dbraw/zinc/54/11/17/553541117.db2.gz AJOWCRSWERVZHS-ZRGIPMBISA-N 0 2 516.595 5.528 40 30 KKEBLN O=C(CC1S/C(=N\c2ccc(SC(F)F)cc2)N(C[C@@H]2CCCO2)C1=O)Nc1ccc(F)cc1 ZINC000015912916 553541771 /nfs/dbraw/zinc/54/17/71/553541771.db2.gz XCUXYOTXEBGERZ-SZEHXDGTSA-N 0 2 509.575 5.280 40 30 KKEBLN O=C(C[C@@H]1S/C(=N\c2ccc(SC(F)F)cc2)N(C[C@@H]2CCCO2)C1=O)Nc1ccc(F)cc1 ZINC000015912916 553541772 /nfs/dbraw/zinc/54/17/72/553541772.db2.gz XCUXYOTXEBGERZ-SZEHXDGTSA-N 0 2 509.575 5.280 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N/c3cccc4ccccc43)N(C[C@H]3CCCO3)C2=O)cc1Cl ZINC000015912907 553541832 /nfs/dbraw/zinc/54/18/32/553541832.db2.gz ZZVRZVXKPJVEQO-LSNQZGJCSA-N 0 2 524.042 5.641 40 30 KKEBLN COc1ccc(NC(=O)C[C@H]2S/C(=N/c3cccc4ccccc43)N(C[C@H]3CCCO3)C2=O)cc1Cl ZINC000015912907 553541834 /nfs/dbraw/zinc/54/18/34/553541834.db2.gz ZZVRZVXKPJVEQO-LSNQZGJCSA-N 0 2 524.042 5.641 40 30 KKEBLN O=C(CC1S/C(=N\c2ccc(OC(F)F)cc2)N(C[C@@H]2CCCO2)C1=O)Nc1ccc(Cl)cc1 ZINC000015913081 553541841 /nfs/dbraw/zinc/54/18/41/553541841.db2.gz SPUOMORIGMEDHS-RLIPEPSPSA-N 0 2 509.962 5.081 40 30 KKEBLN O=C(C[C@H]1S/C(=N\c2ccc(OC(F)F)cc2)N(C[C@@H]2CCCO2)C1=O)Nc1ccc(Cl)cc1 ZINC000015913081 553541844 /nfs/dbraw/zinc/54/18/44/553541844.db2.gz SPUOMORIGMEDHS-RLIPEPSPSA-N 0 2 509.962 5.081 40 30 KKEBLN Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(C)(C)C)cc3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000016268271 553557997 /nfs/dbraw/zinc/55/79/97/553557997.db2.gz VRGGZEBHGMFYOJ-HAHDFKILSA-N 0 2 526.662 5.870 40 30 KKEBLN O=[N+]([O-])c1cc(Cc2ccccc2Cl)cc(/C=N/c2ccc3oc(-c4ccc(F)cc4)nc3c2)c1O ZINC000016450165 553565378 /nfs/dbraw/zinc/56/53/78/553565378.db2.gz WSSHHYHOZABFTD-FJEPWZHXSA-N 0 2 501.901 7.243 40 30 KKEBLN O=C(CC1S/C(=N/c2ccc(SC(F)F)cc2)N(CCC2=CCCCC2)C1=O)Nc1ccccc1F ZINC000096022029 553718792 /nfs/dbraw/zinc/71/87/92/553718792.db2.gz PQQZXXNPCVXXDK-VACSUVPGSA-N 0 2 533.641 6.991 40 30 KKEBLN O=C(C[C@H]1S/C(=N/c2ccc(SC(F)F)cc2)N(CCC2=CCCCC2)C1=O)Nc1ccccc1F ZINC000096022029 553718796 /nfs/dbraw/zinc/71/87/96/553718796.db2.gz PQQZXXNPCVXXDK-VACSUVPGSA-N 0 2 533.641 6.991 40 30 KKEBLN O=C(/C=C\c1ccc(OC(=O)c2ccccc2)cc1)c1c(O)cc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 ZINC000097976247 553968924 /nfs/dbraw/zinc/96/89/24/553968924.db2.gz AZKRWNARJSVRQM-UZYVYHOESA-N 0 2 584.580 6.946 40 30 KKEBLN CC(/C=N/N=C1\SC(CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccco1)=C\c1ccccc1 ZINC000097981099 553992019 /nfs/dbraw/zinc/99/20/19/553992019.db2.gz ORPZPAHWSLOEKX-MHKPQOOKSA-N 0 2 540.567 6.217 40 30 KKEBLN COc1cc([N+](=O)[O-])ccc1NC(=O)CC1S/C(=N/c2ccc(OC(F)F)cc2)N(C2CCCC2)C1=O ZINC000097982037 553999279 /nfs/dbraw/zinc/99/92/79/553999279.db2.gz HYRVYJRQIPPWDU-QJOKQGFGSA-N 0 2 534.541 5.108 40 30 KKEBLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H]1S/C(=N/c2ccc(OC(F)F)cc2)N(C2CCCC2)C1=O ZINC000097982037 553999282 /nfs/dbraw/zinc/99/92/82/553999282.db2.gz HYRVYJRQIPPWDU-QJOKQGFGSA-N 0 2 534.541 5.108 40 30 KKEBLN COc1ccc(N=C2SC(CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000097982070 553999419 /nfs/dbraw/zinc/99/94/19/553999419.db2.gz LCDHALVKESFWQK-UPZCGWIOSA-N 0 2 561.660 5.118 40 30 KKEBLN COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000097982070 553999423 /nfs/dbraw/zinc/99/94/23/553999423.db2.gz LCDHALVKESFWQK-UPZCGWIOSA-N 0 2 561.660 5.118 40 30 KKEBLN O=C(C1=C(O)C(=O)N(c2ccc(S(=O)(=O)Nc3nccs3)cc2)[C@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000098002756 554054564 /nfs/dbraw/zinc/05/45/64/554054564.db2.gz CDRUCHHDQNAUMU-QFIPXVFZSA-N 0 2 630.929 6.143 40 30 KKEBLN CC(O)=CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100034200 554187680 /nfs/dbraw/zinc/18/76/80/554187680.db2.gz LOPUACNVJXKLKA-UHFFFAOYSA-N 0 2 504.136 5.544 40 30 KKEBLN CC(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100034200 554187682 /nfs/dbraw/zinc/18/76/82/554187682.db2.gz LOPUACNVJXKLKA-UHFFFAOYSA-N 0 2 504.136 5.544 40 30 KKEBLN O=C1c2ccccc2C(=O)N1c1ccc(/N=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2O)c(Cl)c1 ZINC000038162566 554273567 /nfs/dbraw/zinc/27/35/67/554273567.db2.gz ORWSIZOELMJWCS-OKCVXOCRSA-N 0 2 511.921 6.096 40 30 KKEBLN CC[C@@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Cc5ccccc5)cc([N+](=O)[O-])c4O)c3)nc2c1 ZINC000038180042 554273922 /nfs/dbraw/zinc/27/39/22/554273922.db2.gz HOAKWJOBGYLKFL-YDJQKXNPSA-N 0 2 505.574 7.964 40 30 KKEBLN Cc1cc(/N=C/c2cc(Cc3ccccc3Cl)cc([N+](=O)[O-])c2O)ccc1NC(=O)c1cc2ccccc2o1 ZINC000100299790 554290260 /nfs/dbraw/zinc/29/02/60/554290260.db2.gz IWRATRQPRCVKMZ-VTNSRFBWSA-N 0 2 539.975 7.602 40 30 KKEBLN COc1ccc(OC)c(NC(=O)CSc2nc3ccc(/N=C/c4ccc(O)c([N+](=O)[O-])c4)cc3s2)c1 ZINC000100331226 554314101 /nfs/dbraw/zinc/31/41/01/554314101.db2.gz HGHCZGZBFFODBI-BRJLIKDPSA-N 0 2 524.580 5.409 40 30 KKEBLN CCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000059102882 554378817 /nfs/dbraw/zinc/37/88/17/554378817.db2.gz YKWBRJPXMZZPIK-NDEPHWFRSA-N 0 2 535.681 6.981 40 30 KKEBLN C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OC)c1O ZINC000059104972 554380092 /nfs/dbraw/zinc/38/00/92/554380092.db2.gz SUUVYBTZITYFFX-DHRITJCHSA-N 0 2 512.606 6.104 40 30 KKEBLN C#CCOc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC ZINC000059198251 554384698 /nfs/dbraw/zinc/38/46/98/554384698.db2.gz CSOHSYCHFUUVOF-MHWRWJLKSA-N 0 2 503.736 5.020 40 30 KKEBLN CC(C)c1ccc(NC(=O)CSc2nc3ccc(/N=C/c4ccc(O)c([N+](=O)[O-])c4)cc3s2)cc1 ZINC000059459186 554396300 /nfs/dbraw/zinc/39/63/00/554396300.db2.gz FZZLUUKFEAJTGF-LGJNPRDNSA-N 0 2 506.609 6.515 40 30 KKEBLN O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc3nc(SCc4ccc5c(c4)Cc4ccccc4-5)sc3c2)c1 ZINC000059472557 554396638 /nfs/dbraw/zinc/39/66/38/554396638.db2.gz ZZVQOUKVOGMHMV-WKULSOCRSA-N 0 2 509.612 7.524 40 30 KKEBLN N#CC(C#N)[C@H](c1c(=O)n(-c2nc(-c3ccccc3)cs2)[nH]c1-c1ccccc1)c1ccc(Br)cc1 ZINC000100553808 554415827 /nfs/dbraw/zinc/41/58/27/554415827.db2.gz MUBJBPKFIQUDBL-XMMPIXPASA-N 0 2 552.457 6.926 40 30 KKEBLN Cc1ccccc1NC(=O)CC1S/C(=N/S(=O)(=O)c2ccc(Cl)s2)N(C2CCCCC2)C1=O ZINC000101043102 554567964 /nfs/dbraw/zinc/56/79/64/554567964.db2.gz SHFXJJAHUCSFDW-WAVOGARWSA-N 0 2 526.105 5.060 40 30 KKEBLN CCOC(=O)c1ccc(NC(=O)CC2S/C(=N/c3ccc(OC)cc3)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000101583113 554800950 /nfs/dbraw/zinc/80/09/50/554800950.db2.gz OCFCPCIYHJTTLX-GEZKDOSPSA-N 0 2 591.686 5.092 40 30 KKEBLN CCOC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(OC)cc3)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000101583113 554800952 /nfs/dbraw/zinc/80/09/52/554800952.db2.gz OCFCPCIYHJTTLX-GEZKDOSPSA-N 0 2 591.686 5.092 40 30 KKEBLN Cc1c(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c2ccccc2n1Cc1ccccc1C#N ZINC000101677476 554828130 /nfs/dbraw/zinc/82/81/30/554828130.db2.gz FOOXCUTWJMOKQW-ZVHZXABRSA-N 0 2 553.416 5.607 40 30 KKEBLN N#C[C@@H](C(N)=O)[C@H](c1c(-c2ccccc2)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O)c1ccc(Br)cc1 ZINC000102134773 554887553 /nfs/dbraw/zinc/88/75/53/554887553.db2.gz PNWGDFJSFHZKND-JRFVFWCSSA-N 0 2 570.472 5.349 40 30 KKEBLN COc1ccc(/N=C2\SC(CC(=O)Nc3ccccc3)C(=O)N2CCC(c2ccccc2)c2ccccc2)cc1 ZINC000102405958 554920632 /nfs/dbraw/zinc/92/06/32/554920632.db2.gz AJWZZKWGHHZQHF-GFYZFDERSA-N 0 2 549.696 6.878 40 30 KKEBLN COc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CCC(c2ccccc2)c2ccccc2)cc1 ZINC000102405958 554920634 /nfs/dbraw/zinc/92/06/34/554920634.db2.gz AJWZZKWGHHZQHF-GFYZFDERSA-N 0 2 549.696 6.878 40 30 KKEBLN CCOc1cccc(NC(=O)CC2S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(OC)c(OC)c3)C2=O)c1 ZINC000102406023 554920813 /nfs/dbraw/zinc/92/08/13/554920813.db2.gz RZXKQIKMHCMQPP-NFMXCSJRSA-N 0 2 549.649 5.272 40 30 KKEBLN CCOc1cccc(NC(=O)C[C@@H]2S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(OC)c(OC)c3)C2=O)c1 ZINC000102406023 554920816 /nfs/dbraw/zinc/92/08/16/554920816.db2.gz RZXKQIKMHCMQPP-NFMXCSJRSA-N 0 2 549.649 5.272 40 30 KKEBLN CCOc1ccc(/N=C2\SC(CC(=O)Nc3ccc(OCC)cc3)C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000102406338 554921108 /nfs/dbraw/zinc/92/11/08/554921108.db2.gz QGEDIPWSGITCPK-XDNZSQCXSA-N 0 2 547.633 5.373 40 30 KKEBLN CCOc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccc(OCC)cc3)C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000102406338 554921111 /nfs/dbraw/zinc/92/11/11/554921111.db2.gz QGEDIPWSGITCPK-XDNZSQCXSA-N 0 2 547.633 5.373 40 30 KKEBLN COc1ccc(/N=C2\SC(CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000102406473 554921162 /nfs/dbraw/zinc/92/11/62/554921162.db2.gz WDLTVULFAYMJTQ-FZWCJVCJSA-N 0 2 554.068 5.569 40 30 KKEBLN COc1ccc(/N=C2\S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000102406473 554921164 /nfs/dbraw/zinc/92/11/64/554921164.db2.gz WDLTVULFAYMJTQ-FZWCJVCJSA-N 0 2 554.068 5.569 40 30 KKEBLN CCCCc1ccc(NC(=O)CC2S/C(=N/c3ccc(C)c(C)c3)N(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000102926955 555151396 /nfs/dbraw/zinc/15/13/96/555151396.db2.gz JUERSSZUNSEKDA-RGTMHUHBSA-N 0 2 529.706 6.815 40 30 KKEBLN CCCCc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(C)c(C)c3)N(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000102926955 555151399 /nfs/dbraw/zinc/15/13/99/555151399.db2.gz JUERSSZUNSEKDA-RGTMHUHBSA-N 0 2 529.706 6.815 40 30 KKEBLN O=C(CC1S/C(=N/c2ccc(F)cc2F)N(CCc2ccccn2)C1=O)Nc1ccc(Br)cc1 ZINC000102928154 555153444 /nfs/dbraw/zinc/15/34/44/555153444.db2.gz KYMRORLYRVGAEC-UDLVZQBISA-N 0 2 545.409 5.325 40 30 KKEBLN O=C(C[C@H]1S/C(=N/c2ccc(F)cc2F)N(CCc2ccccn2)C1=O)Nc1ccc(Br)cc1 ZINC000102928154 555153448 /nfs/dbraw/zinc/15/34/48/555153448.db2.gz KYMRORLYRVGAEC-UDLVZQBISA-N 0 2 545.409 5.325 40 30 KKEBLN CC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1)c1ccc2ccccc2c1OC(F)F ZINC000102930946 555158101 /nfs/dbraw/zinc/15/81/01/555158101.db2.gz LAWRSSQDBJUXIC-WKULSOCRSA-N 0 2 560.966 6.640 40 30 KKEBLN CC(=O)c1ccc(NC(=O)CC2SC(=Nc3ccc(Cl)cc3)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000102961741 555177547 /nfs/dbraw/zinc/17/75/47/555177547.db2.gz IVZQQHIEHUATLX-IHMZUKPYSA-N 0 2 536.009 5.432 40 30 KKEBLN CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000102961741 555177550 /nfs/dbraw/zinc/17/75/50/555177550.db2.gz IVZQQHIEHUATLX-IHMZUKPYSA-N 0 2 536.009 5.432 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N\c3ccc(F)cc3)N([C@H](C)CCC(C)C)C2=O)c([N+](=O)[O-])c1 ZINC000102961849 555177741 /nfs/dbraw/zinc/17/77/41/555177741.db2.gz AJOWCRSWERVZHS-NXBLHBGRSA-N 0 2 516.595 5.528 40 30 KKEBLN COc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccc(F)cc3)N([C@H](C)CCC(C)C)C2=O)c([N+](=O)[O-])c1 ZINC000102961849 555177743 /nfs/dbraw/zinc/17/77/43/555177743.db2.gz AJOWCRSWERVZHS-NXBLHBGRSA-N 0 2 516.595 5.528 40 30 KKEBLN O=C(CC1S/C(=N\c2ccc(F)cc2)N(Cc2ccco2)C1=O)Nc1ccc(Br)cc1 ZINC000102961897 555178076 /nfs/dbraw/zinc/17/80/76/555178076.db2.gz PIKKCMJVSXLRJU-JEOADQEBSA-N 0 2 502.365 5.342 40 30 KKEBLN O=C(C[C@H]1S/C(=N\c2ccc(F)cc2)N(Cc2ccco2)C1=O)Nc1ccc(Br)cc1 ZINC000102961897 555178079 /nfs/dbraw/zinc/17/80/79/555178079.db2.gz PIKKCMJVSXLRJU-JEOADQEBSA-N 0 2 502.365 5.342 40 30 KKEBLN O=C(CC1S/C(=N/c2ccc(OC(F)F)cc2)N(C[C@@H]2CCCO2)C1=O)Nc1ccc(Cl)cc1 ZINC000102961906 555178081 /nfs/dbraw/zinc/17/80/81/555178081.db2.gz SPUOMORIGMEDHS-VNKHSONBSA-N 0 2 509.962 5.081 40 30 KKEBLN O=C(C[C@@H]1S/C(=N/c2ccc(OC(F)F)cc2)N(C[C@@H]2CCCO2)C1=O)Nc1ccc(Cl)cc1 ZINC000102961906 555178083 /nfs/dbraw/zinc/17/80/83/555178083.db2.gz SPUOMORIGMEDHS-VNKHSONBSA-N 0 2 509.962 5.081 40 30 KKEBLN Cc1ccc(C)c(/N=C2\SC(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2Cc2ccco2)c1 ZINC000102962329 555178464 /nfs/dbraw/zinc/17/84/64/555178464.db2.gz BHHVOLLTHVUNSL-FTFNENMSSA-N 0 2 536.868 7.017 40 30 KKEBLN Cc1ccc(C)c(/N=C2\S[C@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2Cc2ccco2)c1 ZINC000102962329 555178467 /nfs/dbraw/zinc/17/84/67/555178467.db2.gz BHHVOLLTHVUNSL-FTFNENMSSA-N 0 2 536.868 7.017 40 30 KKEBLN Cc1ccc(/N=C2\SC(CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2ccc3c(c2)OCO3)c(C)c1 ZINC000102962425 555178713 /nfs/dbraw/zinc/17/87/13/555178713.db2.gz LATNLQDSEMUUNI-QRFYQGEOSA-N 0 2 537.641 6.346 40 30 KKEBLN Cc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2ccc3c(c2)OCO3)c(C)c1 ZINC000102962425 555178715 /nfs/dbraw/zinc/17/87/15/555178715.db2.gz LATNLQDSEMUUNI-QRFYQGEOSA-N 0 2 537.641 6.346 40 30 KKEBLN CCCCCCCCOc1ccc(CN=Nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[N+](=O)[O-])cc1 ZINC000102971126 555181733 /nfs/dbraw/zinc/18/17/33/555181733.db2.gz OQBNHXSHHLEMPM-XHLNEMQHSA-N 0 2 554.669 6.590 40 30 KKEBLN O=[N+]([O-])c1ccc(N=NCc2cc(Br)c(O)c(Br)c2)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000102982728 555188977 /nfs/dbraw/zinc/18/89/77/555188977.db2.gz FKJGPXWIFSSCQJ-AUEPDCJTSA-N 0 2 604.664 5.726 40 30 KKEBLN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccc(Cl)cc2)cc(Br)c1O ZINC000102984222 555189865 /nfs/dbraw/zinc/18/98/65/555189865.db2.gz RXJYRBCHVLFRST-WYMPLXKRSA-N 0 2 569.821 5.362 40 30 KKEBLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1cccc(OCc2ccccc2)c1 ZINC000102984111 555189920 /nfs/dbraw/zinc/18/99/20/555189920.db2.gz KFOVZGZIIDLLND-MTDXEUNCSA-N 0 2 532.578 5.429 40 30 KKEBLN Cc1ccc(/N=C2\SC(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2C[C@H]2CCCO2)c(C)c1 ZINC000103001226 555201196 /nfs/dbraw/zinc/20/11/96/555201196.db2.gz LFEUYMFDDBOWLH-SSZSZLLRSA-N 0 2 540.900 6.403 40 30 KKEBLN Cc1ccc(/N=C2\S[C@@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2C[C@H]2CCCO2)c(C)c1 ZINC000103001226 555201198 /nfs/dbraw/zinc/20/11/98/555201198.db2.gz LFEUYMFDDBOWLH-SSZSZLLRSA-N 0 2 540.900 6.403 40 30 KKEBLN CC(C)c1ccc(NC(=O)CSc2nc3ccc(/N=C/c4cc(Br)c(O)c(Br)c4)cc3s2)cc1 ZINC000103745868 555466110 /nfs/dbraw/zinc/46/61/10/555466110.db2.gz LCHHUEFFFKMEDJ-KVSWJAHQSA-N 0 2 619.404 8.132 40 30 KKEBLN CCCCCCCCCCCCc1ccc(CSc2nc3ccc(/N=C/c4cc([N+](=O)[O-])ccc4O)cc3s2)cc1 ZINC000103746169 555466721 /nfs/dbraw/zinc/46/67/21/555466721.db2.gz DSQDXNLISMPTLD-PPFNPFNJSA-N 0 2 589.827 10.416 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000103850627 571364653 /nfs/dbraw/zinc/36/46/53/571364653.db2.gz KKVBTBLURMZGMU-LPYMAVHISA-N 0 2 614.265 6.325 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000103850621 571364709 /nfs/dbraw/zinc/36/47/09/571364709.db2.gz VFNKGNHYFXHFFI-SRZZPIQSSA-N 0 2 604.259 6.869 40 30 KKEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br ZINC000103858541 571366531 /nfs/dbraw/zinc/36/65/31/571366531.db2.gz URRRXXRJJNGRDK-RIYZIHGNSA-N 0 2 540.595 5.096 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OCc1ccccc1C#N ZINC000103859483 571367130 /nfs/dbraw/zinc/36/71/30/571367130.db2.gz JQBQSJBXMSOFLP-ZVHZXABRSA-N 0 2 572.415 5.303 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000103859526 571367244 /nfs/dbraw/zinc/36/72/44/571367244.db2.gz JJAYENRVCIDDNM-BUVRLJJBSA-N 0 2 579.422 5.961 40 30 KKEBLN Oc1c(Br)cc(Br)cc1/C=N\N=C/c1cc(Br)cc(Br)c1O ZINC000104140915 571374645 /nfs/dbraw/zinc/37/46/45/571374645.db2.gz KGBGZCIYGGUQKO-FDWQPRGYSA-N 0 2 555.846 5.601 40 30 KKEBLN O/N=C(\Cc1nc2cc(Cl)c(Cl)cc2nc1C/C(=N\O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000104241392 571377682 /nfs/dbraw/zinc/37/76/82/571377682.db2.gz XVSAUVSDAKPRKW-GKTLAHRSSA-N 0 2 534.230 7.085 40 30 KKEBLN Oc1cc(Br)c(/N=C/c2cc(Cc3ccccc3)cc(Br)c2O)c(Br)c1 ZINC000106000435 571410085 /nfs/dbraw/zinc/41/00/85/571410085.db2.gz QQTDCIFSGZNOGA-BHGWPJFGSA-N 0 2 540.049 6.727 40 30 KKEBLN Oc1ccc(-c2nc3cc(/N=C/c4cc(Cc5ccccc5)cc(Br)c4O)ccc3o2)cc1Br ZINC000109503606 571429259 /nfs/dbraw/zinc/42/92/59/571429259.db2.gz XPKVFEQVQICOKJ-FJEPWZHXSA-N 0 2 578.260 7.772 40 30 KKEBLN CC[C@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Cc5ccccc5Cl)cc([N+](=O)[O-])c4O)c3)nc2c1 ZINC000109546467 571429417 /nfs/dbraw/zinc/42/94/17/571429417.db2.gz MLDPMHVCMHDTSA-PELXQUCJSA-N 0 2 540.019 8.617 40 30 KKEBLN CCCOc1ccc(NC(=O)CC2S/C(=N\c3ccc(Cl)cc3)N(CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 ZINC000150416737 571485943 /nfs/dbraw/zinc/48/59/43/571485943.db2.gz ZDERGLLUFIUHJX-ZYNWCNCSSA-N 0 2 650.079 7.128 40 30 KKEBLN CCCOc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccc(Cl)cc3)N(CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 ZINC000150416737 571485944 /nfs/dbraw/zinc/48/59/44/571485944.db2.gz ZDERGLLUFIUHJX-ZYNWCNCSSA-N 0 2 650.079 7.128 40 30 KKEBLN CCCCCCCC1=NN2C(=NC(=O)/C(=C/c3cc(I)c(OCCOc4ccc(C)cc4)c(OC)c3)C2=N)S1 ZINC000150441066 571498231 /nfs/dbraw/zinc/49/82/31/571498231.db2.gz OEYPKUUNIFNVPV-JIDPLKBASA-N 0 2 660.578 7.046 40 30 KKEBLN COc1ccc(NC(=O)CSc2nc3ccc(/N=C/c4cc(I)c(O)c(I)c4)cc3s2)cc1 ZINC000150500256 571518459 /nfs/dbraw/zinc/51/84/59/571518459.db2.gz UTSOICQCHLPNQR-KBKYJPHKSA-N 0 2 701.349 6.701 40 30 KKEBLN Oc1c(Br)cc(Cl)cc1C=NN=c1nc2[nH]onc-2nc1Nc1cccc(Br)c1 ZINC000169616406 571553555 /nfs/dbraw/zinc/55/35/55/571553555.db2.gz AVQBUXWKFAMGRK-YXSASFKJSA-N 0 2 539.575 5.086 40 30 KKEBLN CCCCCCCCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000408537474 572194862 /nfs/dbraw/zinc/19/48/62/572194862.db2.gz FMGIZWUYFSCIJG-QNGOZBTKSA-N 0 2 544.402 5.763 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000408538300 572197444 /nfs/dbraw/zinc/19/74/44/572197444.db2.gz KOLWUTJBKLDHLZ-ZHZULCJRSA-N 0 2 529.977 5.663 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1OC ZINC000408538529 572198728 /nfs/dbraw/zinc/19/87/28/572198728.db2.gz OHXUDGVPMIXMOL-CJLVFECKSA-N 0 2 573.484 6.262 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OC ZINC000408538740 572199581 /nfs/dbraw/zinc/19/95/81/572199581.db2.gz QBGKKQANPJCJIJ-ZHZULCJRSA-N 0 2 500.979 5.460 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(OCCC)c(OC)c3)C2=O)cc1OC ZINC000408538780 572199702 /nfs/dbraw/zinc/19/97/02/572199702.db2.gz BQRSUPHIEWNYHP-JWGURIENSA-N 0 2 617.537 6.661 40 30 KKEBLN CCCCCCCCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(O)cc2)C1=O ZINC000408539256 572201557 /nfs/dbraw/zinc/20/15/57/572201557.db2.gz UTBYHGNCBPFTDN-PGMHBOJBSA-N 0 2 515.404 5.560 40 30 KKEBLN CCCCCCCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC ZINC000408539695 572202826 /nfs/dbraw/zinc/20/28/26/572202826.db2.gz YBLLGNXJIKHSTA-OQKWZONESA-N 0 2 543.458 6.254 40 30 KKEBLN CCCCCCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCCC)c(OC)c3)C2=O)cc1OCC ZINC000408541492 572208924 /nfs/dbraw/zinc/20/89/24/572208924.db2.gz ZSLHZKNDMOTKQY-CLCOLTQESA-N 0 2 552.668 6.288 40 30 KKEBLN C#CCOC(=O)c1cc(-c2ccc(C(c3c(C)[nH]n(-c4ccccc4)c3=O)c3c(C)[nH]n(-c4ccccc4)c3=O)o2)ccc1Cl ZINC000108423110 1069717285 /nfs/dbraw/zinc/71/72/85/1069717285.db2.gz QWZOBBVZTIUBHX-UHFFFAOYSA-N 0 2 619.077 6.970 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000408773373 1069886265 /nfs/dbraw/zinc/88/62/65/1069886265.db2.gz VBERARCUFATDNU-ZVHZXABRSA-N 0 2 556.416 5.603 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OCc1cccc(F)c1 ZINC000408775383 1069893037 /nfs/dbraw/zinc/89/30/37/1069893037.db2.gz PSRJKTBYJWEWBR-MFKUBSTISA-N 0 2 514.553 5.425 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OCc1ccc2c(c1)OCO2 ZINC000408779028 1069899314 /nfs/dbraw/zinc/89/93/14/1069899314.db2.gz PDZIRMGKGPHWEP-YDZHTSKRSA-N 0 2 560.990 5.441 40 30 KKEBLN C=CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O ZINC000408823091 1069986059 /nfs/dbraw/zinc/98/60/59/1069986059.db2.gz CMANCBULXXBKPX-YZSQISJMSA-N 0 2 573.432 6.957 40 30 KKEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1OCC ZINC000408826246 1070002857 /nfs/dbraw/zinc/00/28/57/1070002857.db2.gz LBABFMLZYADLEY-LFVJCYFKSA-N 0 2 577.431 5.658 40 30 KKEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1OC ZINC000408827813 1070007555 /nfs/dbraw/zinc/00/75/55/1070007555.db2.gz UZNMWWQVDDAEAH-PXLXIMEGSA-N 0 2 518.953 5.159 40 30 KKEBLN C=CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)C1=O ZINC000408831191 1070019773 /nfs/dbraw/zinc/01/97/73/1070019773.db2.gz OWLFBEOBTZPPOJ-WQXJDYIOSA-N 0 2 630.144 7.449 40 30 KKEBLN C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1OCC ZINC000408831944 1070021682 /nfs/dbraw/zinc/02/16/82/1070021682.db2.gz HVOJRMMAVVYFCD-WSDLNYQXSA-N 0 2 599.854 6.303 40 30 KKEBLN C=CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1OCC ZINC000408832038 1070022829 /nfs/dbraw/zinc/02/28/29/1070022829.db2.gz PTBZELBFGBUABC-OEAKJJBVSA-N 0 2 703.327 6.263 40 30 KKEBLN C=CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccc(Br)cc3)cc2)C1=O ZINC000408837080 1070029739 /nfs/dbraw/zinc/02/97/39/1070029739.db2.gz YRKLPRQKNYXSAB-HZHRSRAPSA-N 0 2 567.823 5.913 40 30 KKEBLN C=CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1OC ZINC000408834579 1070034381 /nfs/dbraw/zinc/03/43/81/1070034381.db2.gz WNYTZGALRBTCNJ-LPYMAVHISA-N 0 2 644.849 5.763 40 30 KKEBLN O=C1/C(=C\c2cc(Br)c(O)c(Br)c2)S/C(=N\c2ccccc2)N1Cc1ccccc1 ZINC000408906430 1070179721 /nfs/dbraw/zinc/17/97/21/1070179721.db2.gz JHIIKMLGPSBRCD-VOYPSTMSSA-N 0 2 544.268 6.721 40 30 KKEBLN CC[C@H](C)N1C(=O)/C(=C\c2cc(Br)c(O)c(Br)c2)S/C1=N\c1ccc(C)cc1 ZINC000408913253 1070191756 /nfs/dbraw/zinc/19/17/56/1070191756.db2.gz PQLFPELYKBHHLQ-IROLNFEJSA-N 0 2 524.278 6.628 40 30 KKEBLN C#CCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OC ZINC000408956974 1070324052 /nfs/dbraw/zinc/32/40/52/1070324052.db2.gz ZKLNPDLPXRRXQO-WYMPLXKRSA-N 0 2 589.486 5.604 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000408982867 1070341670 /nfs/dbraw/zinc/34/16/70/1070341670.db2.gz FQHSTHKRENSYBN-QRVIBDJDSA-N 0 2 551.426 6.284 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000408985777 1070346527 /nfs/dbraw/zinc/34/65/27/1070346527.db2.gz AWHCMBUXTJUKHD-FMCGGJTJSA-N 0 2 590.861 6.257 40 30 KKEBLN COCCCN1C2=C(C(=O)CCC2)C(c2cc(Br)c(O)c(Br)c2)C2=C1CCCC2=O ZINC000409037615 1070440341 /nfs/dbraw/zinc/44/03/41/1070440341.db2.gz TWLSQMZMUWSAIR-UHFFFAOYSA-N 0 2 539.264 5.367 40 30 KKEBLN C#CCOc1c(CC=C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OCC ZINC000409066432 1070483350 /nfs/dbraw/zinc/48/33/50/1070483350.db2.gz ASFFYDXBWUMHRD-ZXVVBBHZSA-N 0 2 536.584 5.071 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000409074993 1070487517 /nfs/dbraw/zinc/48/75/17/1070487517.db2.gz WGAAEBNWPXPDCI-OEAKJJBVSA-N 0 2 548.998 6.160 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000409074741 1070487653 /nfs/dbraw/zinc/48/76/53/1070487653.db2.gz RFBIRVVJXYNGNT-AJBULDERSA-N 0 2 606.650 6.777 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409069898 1070494745 /nfs/dbraw/zinc/49/47/45/1070494745.db2.gz BICPJTCKHGYULX-PXLXIMEGSA-N 0 2 615.491 5.863 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409073363 1070499705 /nfs/dbraw/zinc/49/97/05/1070499705.db2.gz MMFWQOHUJIQILK-BUVRLJJBSA-N 0 2 560.990 5.109 40 30 KKEBLN CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cc(Br)c(O)c(I)c3)c2C(=O)Nc2ccccc2)C1 ZINC000409081592 1070504763 /nfs/dbraw/zinc/50/47/63/1070504763.db2.gz QDLYUXYUKFAUNH-FFCNRAIOSA-N 0 2 637.381 7.975 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409083084 1070507652 /nfs/dbraw/zinc/50/76/52/1070507652.db2.gz NKUMCYIXNXBEFC-DEDYPNTBSA-N 0 2 629.975 7.161 40 30 KKEBLN CCc1nnc(C2=C(O)C(=Cc3cc(Br)c(OCc4ccc(Br)cc4)c(OC)c3)SC2=N)s1 ZINC000409333926 1070839887 /nfs/dbraw/zinc/83/98/87/1070839887.db2.gz FYGMNMUJGOKZJG-JBCBYVDOSA-N 0 2 609.365 6.631 40 30 KKEBLN CCc1nnc(C2=C(O)C(=Cc3ccccc3OCc3ccc(Br)cc3)SC2=N)s1 ZINC000409336567 1070857203 /nfs/dbraw/zinc/85/72/03/1070857203.db2.gz PSDYZLVTYBHTCI-FDKCTOBMSA-N 0 2 500.443 5.860 40 30 KKEBLN N#Cc1ccccc1COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Br ZINC000408947282 1071371657 /nfs/dbraw/zinc/37/16/57/1071371657.db2.gz BSXZZFHAGPUBDO-CNHKJKLMSA-N 0 2 625.229 5.057 40 30 KKEBLN Cc1c(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c2ccccc2n1Cc1ccccc1C#N ZINC000408956053 1071380771 /nfs/dbraw/zinc/38/07/71/1071380771.db2.gz VTKSRZAFFJMCIG-ATZGPIRCSA-N 0 2 594.715 7.004 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408955383 1071386241 /nfs/dbraw/zinc/38/62/41/1071386241.db2.gz UHWCZSKGNZKFPH-KEBDBYFISA-N 0 2 581.408 5.705 40 30 KKEBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCc4ccccc4C#N)c(I)c3)C2=O)cc1Cl ZINC000408985444 1071501252 /nfs/dbraw/zinc/50/12/52/1071501252.db2.gz WVTPDKVSOVCTPL-UWVJOHFNSA-N 0 2 723.692 5.975 40 30 KKEBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccccc4C#N)c(I)c3)C2=O)cc1Cl ZINC000408985126 1071503127 /nfs/dbraw/zinc/50/31/27/1071503127.db2.gz VOJYAOVRSVYXCH-JMIUGGIZSA-N 0 2 597.796 5.370 40 30 KKEBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCc4ccccc4C#N)c(I)c3)C2=O)cc1 ZINC000408984212 1071511601 /nfs/dbraw/zinc/51/16/01/1071511601.db2.gz QALNHAYVMFHGLB-NHDPSOOVSA-N 0 2 703.274 5.575 40 30 KKEBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000408983272 1071518174 /nfs/dbraw/zinc/51/81/74/1071518174.db2.gz LBJXQNXFOPFPIR-UKWGHVSLSA-N 0 2 580.822 5.537 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC ZINC000408982612 1071525257 /nfs/dbraw/zinc/52/52/57/1071525257.db2.gz IJDXQYTVOFKONG-YVLHZVERSA-N 0 2 503.780 5.205 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408982101 1071530192 /nfs/dbraw/zinc/53/01/92/1071530192.db2.gz FSEHCMSZFRFJOM-MTJSOVHGSA-N 0 2 600.296 7.038 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000408981784 1071532295 /nfs/dbraw/zinc/53/22/95/1071532295.db2.gz BTFAKJVCIGCBJG-OYKKKHCWSA-N 0 2 565.453 6.674 40 30 KKEBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000408981256 1071535531 /nfs/dbraw/zinc/53/55/31/1071535531.db2.gz AAVKMJHPKGSBJW-UKWGHVSLSA-N 0 2 580.822 5.537 40 30 KKEBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)[C@@H]1C=CC=C[C@@H]1OS(=O)(=O)c1ccccc1 ZINC000408736904 1071554386 /nfs/dbraw/zinc/55/43/86/1071554386.db2.gz CLYWVOZQHPKRBI-IZLXSDGUSA-N 0 2 594.693 5.734 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408992671 1071570587 /nfs/dbraw/zinc/57/05/87/1071570587.db2.gz UPDCFRFMDQOHEP-UCQKPKSFSA-N 0 2 565.453 6.538 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1ccccc1C#N ZINC000408992899 1071570045 /nfs/dbraw/zinc/57/00/45/1071570045.db2.gz UXOARZSBIMKAKI-QQXSKIMKSA-N 0 2 521.573 5.103 40 30 KKEBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccccc4C#N)c(Br)c3)C2=O)cc1 ZINC000408991377 1071581748 /nfs/dbraw/zinc/58/17/48/1071581748.db2.gz ZZRUNGSYMFBZLR-XKZIYDEJSA-N 0 2 530.378 5.129 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000408990859 1071587373 /nfs/dbraw/zinc/58/73/73/1071587373.db2.gz OORGWNTXKKERND-UQQQWYQISA-N 0 2 545.035 6.275 40 30 KKEBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCc4ccccc4C#N)c(Br)c3)C2=O)cc1 ZINC000408987410 1071612974 /nfs/dbraw/zinc/61/29/74/1071612974.db2.gz OOMAWPUPMUSAQK-NHDPSOOVSA-N 0 2 609.274 5.891 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000408756595 1071637220 /nfs/dbraw/zinc/63/72/20/1071637220.db2.gz WQPYPKOYCOMLOR-HZHRSRAPSA-N 0 2 609.904 6.784 40 30 KKEBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000408754854 1071648810 /nfs/dbraw/zinc/64/88/10/1071648810.db2.gz LNYVDIMOKFFLPN-KEBDBYFISA-N 0 2 625.273 5.646 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OC)c1OCc1cccc(F)c1 ZINC000408754332 1071652798 /nfs/dbraw/zinc/65/27/98/1071652798.db2.gz MSOUZCANOCNAHT-OEAKJJBVSA-N 0 2 579.422 5.879 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc2c(c1)OCO2 ZINC000408753402 1071658722 /nfs/dbraw/zinc/65/87/22/1071658722.db2.gz MMFZRHQXOWFAJS-LPYMAVHISA-N 0 2 575.415 5.460 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408752279 1071666011 /nfs/dbraw/zinc/66/60/11/1071666011.db2.gz HHZQYZGCJXNBAM-WGOQTCKBSA-N 0 2 660.362 7.647 40 30 KKEBLN C=CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1I ZINC000408760228 1071697982 /nfs/dbraw/zinc/69/79/82/1071697982.db2.gz UUMBBUALPUYQSU-RIYZIHGNSA-N 0 2 646.073 5.356 40 30 KKEBLN C=CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1I ZINC000408762204 1071737185 /nfs/dbraw/zinc/73/71/85/1071737185.db2.gz DFDCDDPXFAXEMX-RIYZIHGNSA-N 0 2 693.073 5.198 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000408775285 1071756411 /nfs/dbraw/zinc/75/64/11/1071756411.db2.gz SAQLZTPEVMCIRQ-WGOQTCKBSA-N 0 2 589.486 6.439 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408768464 1071801019 /nfs/dbraw/zinc/80/10/19/1071801019.db2.gz FXDMNQMHLXTZIE-HZHRSRAPSA-N 0 2 517.925 5.222 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408768171 1071803341 /nfs/dbraw/zinc/80/33/41/1071803341.db2.gz UMRDEBWEZCRJBF-MFKUBSTISA-N 0 2 541.560 5.194 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OCc1cccc(C)c1 ZINC000408780635 1071822512 /nfs/dbraw/zinc/82/25/12/1071822512.db2.gz GTIKDEBLVRLSBI-BUVRLJJBSA-N 0 2 516.981 5.631 40 30 KKEBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCc4ccccc4C#N)c(Br)c3)C2=O)c1 ZINC000408785910 1071853655 /nfs/dbraw/zinc/85/36/55/1071853655.db2.gz JQDBVCMFDCHFJN-UFFVCSGVSA-N 0 2 564.823 5.836 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000408785061 1071859346 /nfs/dbraw/zinc/85/93/46/1071859346.db2.gz XPZSHSXGAVGGNO-BUVRLJJBSA-N 0 2 551.426 6.366 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OCc1ccc(I)cc1 ZINC000408784951 1071860810 /nfs/dbraw/zinc/86/08/10/1071860810.db2.gz XCUAEQWLNOLTEG-OEAKJJBVSA-N 0 2 628.850 5.927 40 30 KKEBLN Cc1cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000408784663 1071863400 /nfs/dbraw/zinc/86/34/00/1071863400.db2.gz RKRIDDOJSBTODF-OCSSWDANSA-N 0 2 544.611 5.828 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408788677 1071897867 /nfs/dbraw/zinc/89/78/67/1071897867.db2.gz FYELJZJSDGFVNG-BUVRLJJBSA-N 0 2 545.433 6.040 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409067088 1071997544 /nfs/dbraw/zinc/99/75/44/1071997544.db2.gz NSDQSTSVVMIOTB-SSDVNMTOSA-N 0 2 582.396 5.884 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409066911 1072000856 /nfs/dbraw/zinc/00/08/56/1072000856.db2.gz DFANOBOQESZGHK-HZHRSRAPSA-N 0 2 502.954 5.323 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000409065759 1072008248 /nfs/dbraw/zinc/00/82/48/1072008248.db2.gz NAFUEIVGKLPZTF-HZHRSRAPSA-N 0 2 532.980 5.331 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OC)c1OCc1ccccc1 ZINC000409063953 1072018504 /nfs/dbraw/zinc/01/85/04/1072018504.db2.gz AXANCYFYZVTCNH-TWKHWXDSSA-N 0 2 574.633 6.248 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409076195 1072053738 /nfs/dbraw/zinc/05/37/38/1072053738.db2.gz ZJQTUFSBZYHKQZ-YZSQISJMSA-N 0 2 561.034 6.111 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000409075901 1072056327 /nfs/dbraw/zinc/05/63/27/1072056327.db2.gz VCQOXOIAGWIKFY-OEAKJJBVSA-N 0 2 545.523 5.107 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000409074840 1072064495 /nfs/dbraw/zinc/06/44/95/1072064495.db2.gz SLVUKHWXDNCEGE-TWKHWXDSSA-N 0 2 606.650 6.777 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409074837 1072064517 /nfs/dbraw/zinc/06/45/17/1072064517.db2.gz SJXBHTLHCJEMJL-TWKHWXDSSA-N 0 2 673.143 6.480 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409073283 1072076567 /nfs/dbraw/zinc/07/65/67/1072076567.db2.gz GSGNGSITTRJWFJ-LPYMAVHISA-N 0 2 537.399 5.976 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409073575 1072074375 /nfs/dbraw/zinc/07/43/75/1072074375.db2.gz WABLCAKTRGVJKM-LPYMAVHISA-N 0 2 601.464 5.473 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1OCc1ccccc1 ZINC000409073152 1072078080 /nfs/dbraw/zinc/07/80/80/1072078080.db2.gz XSDYSMTYNVVBLA-PXLXIMEGSA-N 0 2 516.981 5.631 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409071414 1072089871 /nfs/dbraw/zinc/08/98/71/1072089871.db2.gz ODIRJKYJQBBQEB-KGENOOAVSA-N 0 2 547.951 5.231 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409070816 1072093209 /nfs/dbraw/zinc/09/32/09/1072093209.db2.gz ZKUHVNDYOZZVKW-AJBULDERSA-N 0 2 633.657 6.546 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000409070584 1072093547 /nfs/dbraw/zinc/09/35/47/1072093547.db2.gz ZVPRIVNTUBBFRA-LPYMAVHISA-N 0 2 585.871 7.019 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409070174 1072096514 /nfs/dbraw/zinc/09/65/14/1072096514.db2.gz NGMDAYOORMJQIX-NDZAJKAJSA-N 0 2 609.078 6.902 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409069424 1072102121 /nfs/dbraw/zinc/10/21/21/1072102121.db2.gz XQNSWSACVQUPML-STBIYBPSSA-N 0 2 643.523 7.555 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000409069509 1072103181 /nfs/dbraw/zinc/10/31/81/1072103181.db2.gz LDARYHYNEPXZLS-MTDXEUNCSA-N 0 2 577.593 6.121 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409067828 1072114735 /nfs/dbraw/zinc/11/47/35/1072114735.db2.gz QCAZMYXRYFCGQF-LFVJCYFKSA-N 0 2 516.981 5.713 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000409068878 1072107840 /nfs/dbraw/zinc/10/78/40/1072107840.db2.gz JZBYKIAUCRXIAT-ZVHZXABRSA-N 0 2 609.462 6.153 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000409067869 1072115344 /nfs/dbraw/zinc/11/53/44/1072115344.db2.gz RNPILWCNIMPWDP-PCLIKHOPSA-N 0 2 530.552 5.207 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000409067749 1072116122 /nfs/dbraw/zinc/11/61/22/1072116122.db2.gz RBMOYCYWMFDEMP-OEAKJJBVSA-N 0 2 561.978 5.621 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1OCc1ccccc1F ZINC000409067769 1072116201 /nfs/dbraw/zinc/11/62/01/1072116201.db2.gz RDTYTIDFKOHDHF-KGENOOAVSA-N 0 2 534.971 5.770 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409085283 1072180463 /nfs/dbraw/zinc/18/04/63/1072180463.db2.gz ZDVMBNXFHRXAAB-FYJGNVAPSA-N 0 2 597.502 5.818 40 30 KKEBLN CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cc(I)c(O)c(I)c3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409084635 1072186451 /nfs/dbraw/zinc/18/64/51/1072186451.db2.gz PVKLLUWXHBPJPJ-YJDIGNJUSA-N 0 2 718.826 8.470 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409084304 1072189692 /nfs/dbraw/zinc/18/96/92/1072189692.db2.gz BDIPAUODVWDMRK-HYARGMPZSA-N 0 2 611.529 6.208 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409084368 1072190270 /nfs/dbraw/zinc/19/02/70/1072190270.db2.gz BJANOTQCRFDHHC-HYARGMPZSA-N 0 2 611.529 6.208 40 30 KKEBLN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3cc(I)cc(I)c3O)sc2C1 ZINC000409083350 1072201542 /nfs/dbraw/zinc/20/15/42/1072201542.db2.gz SNWZXEXNOVMIAW-ZCUUTASWSA-N 0 2 590.268 6.436 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409082180 1072214946 /nfs/dbraw/zinc/21/49/46/1072214946.db2.gz POHPMHVUNVOKMZ-FYJGNVAPSA-N 0 2 576.493 5.228 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409091665 1072269183 /nfs/dbraw/zinc/26/91/83/1072269183.db2.gz SVWXYWOXHNXNCN-UDWIEESQSA-N 0 2 612.473 5.718 40 30 KKEBLN CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409336576 1072331113 /nfs/dbraw/zinc/33/11/13/1072331113.db2.gz PTRLPPAWVCVFFS-TULHVXHQSA-N 0 2 510.597 5.404 40 30 KKEBLN CCc1nnc(C2=C(O)C(=Cc3ccccc3OCc3ccc(Br)cc3)SC2=N)s1 ZINC000409336566 1072331199 /nfs/dbraw/zinc/33/11/99/1072331199.db2.gz PSDYZLVTYBHTCI-ANFUGJHOSA-N 0 2 500.443 5.860 40 30 KKEBLN CCc1nnc(C2=C(O)C(=Cc3cc(OC)c(OCc4ccccc4C#N)cc3Br)SC2=N)s1 ZINC000409335670 1072337585 /nfs/dbraw/zinc/33/75/85/1072337585.db2.gz LHWSPDVEAAQSHT-FUMQATMRSA-N 0 2 555.479 5.740 40 30 KKEBLN CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)ccc1OCc1ccccc1Cl ZINC000409333063 1072356801 /nfs/dbraw/zinc/35/68/01/1072356801.db2.gz BPIGVXMIKCMGPM-XRSHBMEUSA-N 0 2 500.045 6.149 40 30 KKEBLN N#Cc1ccccc1COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br ZINC000409398799 1072751100 /nfs/dbraw/zinc/75/11/00/1072751100.db2.gz CVFZUFIQOPSIDT-GRSHGNNSSA-N 0 2 508.759 5.015 40 30 KKEBLN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)N[C@@H](Cc2ccccc2)c2n[nH]c(=O)[nH]2)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547139080 1073184326 /nfs/dbraw/zinc/18/43/26/1073184326.db2.gz DKBSTBSSKJPASL-ZMFOQMAESA-N 0 2 719.216 5.912 40 30 KKEBLN O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1cc(Br)c(O)c(Br)c1 ZINC000409282677 1073388738 /nfs/dbraw/zinc/38/87/38/1073388738.db2.gz QAIBZBOMYFBYJG-UHFFFAOYSA-N 0 2 539.183 5.923 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCC(=O)OCC ZINC000408852326 195492854 /nfs/dbraw/zinc/49/28/54/195492854.db2.gz SLBFCQROIJMSAO-LQKURTRISA-N 0 2 568.670 5.491 40 30 KKEBLN Cc1cccc(NS(=O)(=O)c2ccc3c(c2)C(=NO)c2cc(S(=O)(=O)Nc4cccc(C)c4C)ccc2-3)c1C ZINC000000843839 551547681 /nfs/dbraw/zinc/54/76/81/551547681.db2.gz DJANSNAGZOVZSW-UHFFFAOYSA-N 0 2 561.685 5.729 40 30 KKEBLN O=C(CC1S/C(=N\c2ccc(Cl)c(Cl)c2)N(CCC2=CCCCC2)C1=O)Nc1ccc(F)cc1 ZINC000003286207 552337649 /nfs/dbraw/zinc/33/76/49/552337649.db2.gz WNUIUDBDERIBQC-VXDNOLEKSA-N 0 2 520.457 6.983 40 30 KKEBLN O=C(C[C@H]1S/C(=N\c2ccc(Cl)c(Cl)c2)N(CCC2=CCCCC2)C1=O)Nc1ccc(F)cc1 ZINC000003286207 552337651 /nfs/dbraw/zinc/33/76/51/552337651.db2.gz WNUIUDBDERIBQC-VXDNOLEKSA-N 0 2 520.457 6.983 40 30 KKEBLN O=C(CC1S/C(=N/c2ccc(F)cc2F)N(CCc2ccccn2)C1=O)Nc1ccc(Br)cc1 ZINC000003298375 552344726 /nfs/dbraw/zinc/34/47/26/552344726.db2.gz KYMRORLYRVGAEC-CJFDVPSFSA-N 0 2 545.409 5.325 40 30 KKEBLN O=C(C[C@@H]1S/C(=N/c2ccc(F)cc2F)N(CCc2ccccn2)C1=O)Nc1ccc(Br)cc1 ZINC000003298375 552344729 /nfs/dbraw/zinc/34/47/29/552344729.db2.gz KYMRORLYRVGAEC-CJFDVPSFSA-N 0 2 545.409 5.325 40 30 KKEBLN O=S(=O)(Nc1ccnn1-c1ccccc1)c1ccc(/N=C/c2c3ccccc3nc3cc(Cl)ccc23)cc1 ZINC000005614325 552505436 /nfs/dbraw/zinc/50/54/36/552505436.db2.gz KCDUVDIRETUGLR-ZCTHSVRISA-N 0 2 538.032 6.779 40 30 KKEBLN O=C([O-])c1ccc(/[NH+]=C2/C=CC3=N[C@@]45CCCC[C@@H]4[C@H](c4ccccc4)C=C(c4ccccc4)N5C3=C2)cc1 ZINC000008926118 553191096 /nfs/dbraw/zinc/19/10/96/553191096.db2.gz JWJQKUXXLPEPJD-RQEQUKQFSA-N 0 2 511.625 7.393 40 30 KKEBLN Cc1cccc(C)c1NC(=O)CC1S/C(=N/c2ccc(Cl)c(Cl)c2)N(Cc2ccccn2)C1=O ZINC000013147600 553455452 /nfs/dbraw/zinc/45/54/52/553455452.db2.gz DOKWANJDTFUTMZ-PDKRQQHWSA-N 0 2 513.450 6.166 40 30 KKEBLN Cc1cccc(C)c1NC(=O)C[C@@H]1S/C(=N/c2ccc(Cl)c(Cl)c2)N(Cc2ccccn2)C1=O ZINC000013147600 553455453 /nfs/dbraw/zinc/45/54/53/553455453.db2.gz DOKWANJDTFUTMZ-PDKRQQHWSA-N 0 2 513.450 6.166 40 30 KKEBLN Cc1ccc(/N=C2\SC(CC(=O)Nc3ccc(Br)cc3)C(=O)N2C[C@@H]2CCCO2)cc1C ZINC000015912644 553541612 /nfs/dbraw/zinc/54/16/12/553541612.db2.gz WKCPRQQFUIUTHF-RKCXDLFGSA-N 0 2 516.461 5.205 40 30 KKEBLN Cc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccc(Br)cc3)C(=O)N2C[C@@H]2CCCO2)cc1C ZINC000015912644 553541616 /nfs/dbraw/zinc/54/16/16/553541616.db2.gz WKCPRQQFUIUTHF-RKCXDLFGSA-N 0 2 516.461 5.205 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N\c3cccc4ccccc43)N(C[C@@H]3CCCO3)C2=O)cc1Cl ZINC000015912901 553541812 /nfs/dbraw/zinc/54/18/12/553541812.db2.gz ZZVRZVXKPJVEQO-VDMRYMQUSA-N 0 2 524.042 5.641 40 30 KKEBLN COc1ccc(NC(=O)C[C@@H]2S/C(=N\c3cccc4ccccc43)N(C[C@@H]3CCCO3)C2=O)cc1Cl ZINC000015912901 553541815 /nfs/dbraw/zinc/54/18/15/553541815.db2.gz ZZVRZVXKPJVEQO-VDMRYMQUSA-N 0 2 524.042 5.641 40 30 KKEBLN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC(C)c2ccc(Cl)cc2Cl)c(C)c1 ZINC000015912973 553541839 /nfs/dbraw/zinc/54/18/39/553541839.db2.gz UTTHYQFZEZKQML-MFKUBSTISA-N 0 2 507.399 6.155 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N\c3cccc4ccccc43)N(C[C@@H]3CCCO3)C2=O)cc1Cl ZINC000015912903 553541847 /nfs/dbraw/zinc/54/18/47/553541847.db2.gz ZZVRZVXKPJVEQO-KLMUMINNSA-N 0 2 524.042 5.641 40 30 KKEBLN COc1ccc(NC(=O)C[C@H]2S/C(=N\c3cccc4ccccc43)N(C[C@@H]3CCCO3)C2=O)cc1Cl ZINC000015912903 553541848 /nfs/dbraw/zinc/54/18/48/553541848.db2.gz ZZVRZVXKPJVEQO-KLMUMINNSA-N 0 2 524.042 5.641 40 30 KKEBLN O=C(CC1S/C(=N\c2ccc(SC(F)F)cc2)N(C[C@@H]2CCCO2)C1=O)Nc1ccc(F)cc1 ZINC000015912918 553541865 /nfs/dbraw/zinc/54/18/65/553541865.db2.gz XCUXYOTXEBGERZ-WWPHTBBRSA-N 0 2 509.575 5.280 40 30 KKEBLN O=C(C[C@H]1S/C(=N\c2ccc(SC(F)F)cc2)N(C[C@@H]2CCCO2)C1=O)Nc1ccc(F)cc1 ZINC000015912918 553541867 /nfs/dbraw/zinc/54/18/67/553541867.db2.gz XCUXYOTXEBGERZ-WWPHTBBRSA-N 0 2 509.575 5.280 40 30 KKEBLN CC(=O)c1ccc(N=C2SC(CC(=O)Nc3ccc(Br)cc3)C(=O)N2CC(C)C)cc1 ZINC000015978463 553548015 /nfs/dbraw/zinc/54/80/15/553548015.db2.gz SBJQIRPBSJHLCP-UAPGPWSHSA-N 0 2 502.434 5.268 40 30 KKEBLN CC(=O)c1ccc(N=C2S[C@H](CC(=O)Nc3ccc(Br)cc3)C(=O)N2CC(C)C)cc1 ZINC000015978463 553548016 /nfs/dbraw/zinc/54/80/16/553548016.db2.gz SBJQIRPBSJHLCP-UAPGPWSHSA-N 0 2 502.434 5.268 40 30 KKEBLN COc1ccccc1NC(=O)CC1S/C(=N\c2ccc(Cl)cc2)N(CCc2ccc(F)cc2)C1=O ZINC000020274943 553630581 /nfs/dbraw/zinc/63/05/81/553630581.db2.gz ZKMAXTNWZXXNKF-PNJMJVHGSA-N 0 2 512.006 5.691 40 30 KKEBLN COc1ccccc1NC(=O)C[C@@H]1S/C(=N\c2ccc(Cl)cc2)N(CCc2ccc(F)cc2)C1=O ZINC000020274943 553630586 /nfs/dbraw/zinc/63/05/86/553630586.db2.gz ZKMAXTNWZXXNKF-PNJMJVHGSA-N 0 2 512.006 5.691 40 30 KKEBLN COc1ccc(N=C2SC(CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000096400507 553753689 /nfs/dbraw/zinc/75/36/89/553753689.db2.gz YPYMCUUNXAWPJW-IHMZUKPYSA-N 0 2 522.026 5.712 40 30 KKEBLN COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000096400507 553753691 /nfs/dbraw/zinc/75/36/91/553753691.db2.gz YPYMCUUNXAWPJW-IHMZUKPYSA-N 0 2 522.026 5.712 40 30 KKEBLN CCOc1ccccc1/N=C1/SC(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1C1CCCC1 ZINC000096400532 553753982 /nfs/dbraw/zinc/75/39/82/553753982.db2.gz VTBVUDPXOCOMAU-RTGZZVAKSA-N 0 2 517.007 5.550 40 30 KKEBLN CCOc1ccccc1/N=C1/S[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1C1CCCC1 ZINC000096400532 553753985 /nfs/dbraw/zinc/75/39/85/553753985.db2.gz VTBVUDPXOCOMAU-RTGZZVAKSA-N 0 2 517.007 5.550 40 30 KKEBLN Cc1cc(C)n(-c2nc(N=NCc3cc(Br)c(O)c(Br)c3)nc(Nc3ccc(C)cc3)n2)n1 ZINC000097948465 553794229 /nfs/dbraw/zinc/79/42/29/553794229.db2.gz XZQVALCKNXNUQX-OPEKNORGSA-N 0 2 572.265 5.403 40 30 KKEBLN CC(/C=N/N=C1/SC(CC(=O)Nc2ccc(Cl)cc2)C(=O)N1Cc1ccco1)=C\c1ccccc1 ZINC000027642024 553835832 /nfs/dbraw/zinc/83/58/32/553835832.db2.gz QXNVYNWECDKDQE-TUSWQLMXSA-N 0 2 507.015 5.851 40 30 KKEBLN Cc1c(/N=C2\SC(CC(=O)Nc3ccc4ccccc4c3)C(=O)N2[C@H]2CCCC[C@@H]2C)c(=O)n(-c2ccccc2)n1C ZINC000029503381 553846782 /nfs/dbraw/zinc/84/67/82/553846782.db2.gz OHYOFOSSPAQIJU-WGYYNFCESA-N 0 2 581.742 6.177 40 30 KKEBLN Cc1c(/N=C2\S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2[C@H]2CCCC[C@@H]2C)c(=O)n(-c2ccccc2)n1C ZINC000029503381 553846787 /nfs/dbraw/zinc/84/67/87/553846787.db2.gz OHYOFOSSPAQIJU-WGYYNFCESA-N 0 2 581.742 6.177 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N/c3ccccc3)N(Cc3ccccc3Cl)C2=O)c([N+](=O)[O-])c1 ZINC000097982017 553998791 /nfs/dbraw/zinc/99/87/91/553998791.db2.gz NNSSFPQGSWQGIX-SIHNDCSESA-N 0 2 524.986 5.417 40 30 KKEBLN COc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccccc3)N(Cc3ccccc3Cl)C2=O)c([N+](=O)[O-])c1 ZINC000097982017 553998794 /nfs/dbraw/zinc/99/87/94/553998794.db2.gz NNSSFPQGSWQGIX-SIHNDCSESA-N 0 2 524.986 5.417 40 30 KKEBLN Cc1ccc(/N=C2/SC(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2C[C@H]2CCCO2)c(C)c1 ZINC000097981998 553998862 /nfs/dbraw/zinc/99/88/62/553998862.db2.gz LFEUYMFDDBOWLH-GQBIXPTKSA-N 0 2 540.900 6.403 40 30 KKEBLN Cc1ccc(/N=C2/S[C@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2C[C@H]2CCCO2)c(C)c1 ZINC000097981998 553998864 /nfs/dbraw/zinc/99/88/64/553998864.db2.gz LFEUYMFDDBOWLH-GQBIXPTKSA-N 0 2 540.900 6.403 40 30 KKEBLN O=C(CC1S/C(=N/c2ccc(F)cc2)N(CCC2=CCCCC2)C1=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000097982055 553999437 /nfs/dbraw/zinc/99/94/37/553999437.db2.gz VMNWYBPWHKUWPP-VIRAWTEISA-N 0 2 554.009 7.349 40 30 KKEBLN O=C(C[C@H]1S/C(=N/c2ccc(F)cc2)N(CCC2=CCCCC2)C1=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000097982055 553999441 /nfs/dbraw/zinc/99/94/41/553999441.db2.gz VMNWYBPWHKUWPP-VIRAWTEISA-N 0 2 554.009 7.349 40 30 KKEBLN O=C(CC1S/C(=N\c2cccc(Cl)c2)N(Cc2ccccn2)C1=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000097982066 553999537 /nfs/dbraw/zinc/99/95/37/553999537.db2.gz RTUXPSKBSVTJAA-CQPUDKCISA-N 0 2 553.393 6.568 40 30 KKEBLN O=C(C[C@@H]1S/C(=N\c2cccc(Cl)c2)N(Cc2ccccn2)C1=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000097982066 553999540 /nfs/dbraw/zinc/99/95/40/553999540.db2.gz RTUXPSKBSVTJAA-CQPUDKCISA-N 0 2 553.393 6.568 40 30 KKEBLN Cc1c(Cl)cccc1NC(=O)CC1S/C(=N/c2ccc(SC(F)F)cc2)N(Cc2ccccn2)C1=O ZINC000097982092 553999817 /nfs/dbraw/zinc/99/98/17/553999817.db2.gz KNHBGRZMYQXFEP-UCQDIZFZSA-N 0 2 547.052 6.519 40 30 KKEBLN Cc1c(Cl)cccc1NC(=O)C[C@H]1S/C(=N/c2ccc(SC(F)F)cc2)N(Cc2ccccn2)C1=O ZINC000097982092 553999822 /nfs/dbraw/zinc/99/98/22/553999822.db2.gz KNHBGRZMYQXFEP-UCQDIZFZSA-N 0 2 547.052 6.519 40 30 KKEBLN COc1cc(Cl)c(C)cc1NC(=O)CC1S/C(=N\c2cccc3ccccc32)N(Cc2ccccn2)C1=O ZINC000097982110 553999881 /nfs/dbraw/zinc/99/98/81/553999881.db2.gz KGJOVDFVBFZMFY-SBBHXBDOSA-N 0 2 545.064 6.366 40 30 KKEBLN COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1S/C(=N\c2cccc3ccccc32)N(Cc2ccccn2)C1=O ZINC000097982110 553999882 /nfs/dbraw/zinc/99/98/82/553999882.db2.gz KGJOVDFVBFZMFY-SBBHXBDOSA-N 0 2 545.064 6.366 40 30 KKEBLN O=C(CC1S/C(=N/c2cccc3ccccc32)N(CCC2=CCCCC2)C1=O)Nc1ccc2ccccc2c1 ZINC000097982103 553999897 /nfs/dbraw/zinc/99/98/97/553999897.db2.gz PVZNQCMRWFHHNB-HUEIIMIESA-N 0 2 533.697 7.844 40 30 KKEBLN O=C(C[C@@H]1S/C(=N/c2cccc3ccccc32)N(CCC2=CCCCC2)C1=O)Nc1ccc2ccccc2c1 ZINC000097982103 553999898 /nfs/dbraw/zinc/99/98/98/553999898.db2.gz PVZNQCMRWFHHNB-HUEIIMIESA-N 0 2 533.697 7.844 40 30 KKEBLN Cc1ccc(/N=C2/SC(CC(=O)Nc3ccc(I)cc3)C(=O)N2C2CCCC2)cc1C ZINC000097982161 554000349 /nfs/dbraw/zinc/00/03/49/554000349.db2.gz GEKQJMOYQNJJRL-BPMVYWJCSA-N 0 2 547.462 5.811 40 30 KKEBLN Cc1ccc(/N=C2/S[C@@H](CC(=O)Nc3ccc(I)cc3)C(=O)N2C2CCCC2)cc1C ZINC000097982161 554000351 /nfs/dbraw/zinc/00/03/51/554000351.db2.gz GEKQJMOYQNJJRL-BPMVYWJCSA-N 0 2 547.462 5.811 40 30 KKEBLN COc1ccccc1NS(=O)(=O)c1cc(NN=C(C#N)C(=O)c2cc(C)n(-c3c(C)n(C)n(-c4ccccc4)c3=O)c2C)ccc1Cl ZINC000097982628 554003927 /nfs/dbraw/zinc/00/39/27/554003927.db2.gz CRPCZVNKSHOCKE-PNFNHJRFSA-N 0 2 672.167 5.529 40 30 KKEBLN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000035147529 554036059 /nfs/dbraw/zinc/03/60/59/554036059.db2.gz ULXXFXASJHLGHZ-AREMUKBSSA-N 0 2 511.534 5.296 40 30 KKEBLN C=CCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1Br ZINC000100110911 554221503 /nfs/dbraw/zinc/22/15/03/554221503.db2.gz JAKLJFWUINDAHI-SXGWCWSVSA-N 0 2 534.204 5.060 40 30 KKEBLN C=CCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)NN(c4cccc(Br)c4)C3=O)o2)ccc1Cl ZINC000100165208 554236482 /nfs/dbraw/zinc/23/64/82/554236482.db2.gz FYAIESQVWCHQBZ-UYRXBGFRSA-N 0 2 527.758 5.167 40 30 KKEBLN CCCCCCCCCCCCCCCCn1c2ccccc2nc1/N=C\c1cc(Cl)cc(Cl)c1O ZINC000100167110 554237423 /nfs/dbraw/zinc/23/74/23/554237423.db2.gz OBXWBUNTESSLRU-SNCSUOKWSA-N 0 2 530.584 10.281 40 30 KKEBLN Cc1ccc(-c2nc3cc(/N=C/c4cc(Cc5ccccc5Cl)cc([N+](=O)[O-])c4O)ccc3o2)cc1C ZINC000038182157 554273942 /nfs/dbraw/zinc/27/39/42/554273942.db2.gz WYUNZLOQPOAZLB-WCMJOSRZSA-N 0 2 511.965 7.720 40 30 KKEBLN O=[N+]([O-])c1cc(Cc2ccccc2)cc(/C=N/c2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1O ZINC000100300690 554291055 /nfs/dbraw/zinc/29/10/55/554291055.db2.gz BNMJNAWADYHURC-XAZZYMPDSA-N 0 2 519.891 7.382 40 30 KKEBLN CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCC#N ZINC000059105173 554380444 /nfs/dbraw/zinc/38/04/44/554380444.db2.gz RSJFDPNYBOEUMF-AFUMVMLFSA-N 0 2 525.605 5.962 40 30 KKEBLN C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000059135530 554381633 /nfs/dbraw/zinc/38/16/33/554381633.db2.gz YPEHMVPVRFAWDN-HZHRSRAPSA-N 0 2 501.470 5.548 40 30 KKEBLN C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1cccc(C)c1 ZINC000059135586 554381656 /nfs/dbraw/zinc/38/16/56/554381656.db2.gz FJJTYWGDNUFACV-BUVRLJJBSA-N 0 2 500.526 5.957 40 30 KKEBLN C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000059135582 554381664 /nfs/dbraw/zinc/38/16/64/554381664.db2.gz WUNSEGYEIOANGP-OEAKJJBVSA-N 0 2 504.489 5.788 40 30 KKEBLN C=CCOc1c(CC=C)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC ZINC000059198270 554384744 /nfs/dbraw/zinc/38/47/44/554384744.db2.gz BBYMIMNFIWEJOI-XSFVSMFZSA-N 0 2 511.372 5.648 40 30 KKEBLN CC(C)c1ccc(NC(=O)CSc2nc3ccc(/N=C/c4cc([N+](=O)[O-])ccc4O)cc3s2)cc1 ZINC000059459195 554396308 /nfs/dbraw/zinc/39/63/08/554396308.db2.gz OHWXQKQELKFUQG-LGJNPRDNSA-N 0 2 506.609 6.515 40 30 KKEBLN COC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC[C@@H]3[C@@]4(C)CCC(=NOC(=O)C[C@H]5SC(=O)NC5=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000059690867 554424916 /nfs/dbraw/zinc/42/49/16/554424916.db2.gz NAXBQOBKRFCYKY-LZEAVSSESA-N 0 2 640.887 7.602 40 30 KKEBLN COC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC[C@@H]3[C@@]4(C)CCC(=NOC(=O)C[C@@H]5SC(=O)NC5=O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000059690878 554424924 /nfs/dbraw/zinc/42/49/24/554424924.db2.gz NAXBQOBKRFCYKY-WULWJGJASA-N 0 2 640.887 7.602 40 30 KKEBLN O=C(CC1S/C(=N/N=C/c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)NC1=O)Nc1ccc(Br)cc1 ZINC000100864143 554496789 /nfs/dbraw/zinc/49/67/89/554496789.db2.gz WYVFNOVZOKHYFS-QIAFAXPKSA-N 0 2 616.881 5.540 40 30 KKEBLN O=C(C[C@@H]1S/C(=N/N=C/c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)NC1=O)Nc1ccc(Br)cc1 ZINC000100864143 554496791 /nfs/dbraw/zinc/49/67/91/554496791.db2.gz WYVFNOVZOKHYFS-QIAFAXPKSA-N 0 2 616.881 5.540 40 30 KKEBLN COc1cc(C=NN=C2NC(=O)C(CC(=O)Nc3ccc(Br)cc3)S2)ccc1OCc1ccccc1 ZINC000100956223 554539538 /nfs/dbraw/zinc/53/95/38/554539538.db2.gz DNSUYWSEUMXQNU-YJGSSNSBSA-N 0 2 567.465 5.827 40 30 KKEBLN COc1cc(C=NN=C2NC(=O)[C@H](CC(=O)Nc3ccc(Br)cc3)S2)ccc1OCc1ccccc1 ZINC000100956223 554539544 /nfs/dbraw/zinc/53/95/44/554539544.db2.gz DNSUYWSEUMXQNU-YJGSSNSBSA-N 0 2 567.465 5.827 40 30 KKEBLN O=[N+]([O-])c1cc(Cc2ccccc2Cl)cc(/C=N/c2ccc3oc(-c4c(F)c(F)c(F)c(F)c4F)nc3c2)c1O ZINC000100958267 554541129 /nfs/dbraw/zinc/54/11/29/554541129.db2.gz ROIDVCMFHKPZCQ-WHQPAHRZSA-N 0 2 573.861 7.799 40 30 KKEBLN COc1cc(/N=C/c2cc(Cc3ccccc3Cl)cc([N+](=O)[O-])c2O)ccc1NC(=O)c1cc2ccccc2o1 ZINC000100958275 554541189 /nfs/dbraw/zinc/54/11/89/554541189.db2.gz XUFIXPLUVZSMCH-VTNSRFBWSA-N 0 2 555.974 7.302 40 30 KKEBLN O=C1/C(=C\c2cc(Br)c(O)c(Br)c2)S/C(=N/c2ccccc2)N1c1ccccc1 ZINC000100971002 554543643 /nfs/dbraw/zinc/54/36/43/554543643.db2.gz YAMUEKACRHGQCZ-KZWMQRDFSA-N 0 2 530.241 6.726 40 30 KKEBLN O=C(CC1S/C(=N/S(=O)(=O)c2ccc(Br)cc2)N(C2CCCCC2)C1=O)Nc1ccc(Cl)cc1 ZINC000101042745 554568033 /nfs/dbraw/zinc/56/80/33/554568033.db2.gz IKKBOEREGXNTQH-NUIVBQGBSA-N 0 2 584.945 5.453 40 30 KKEBLN COc1ccc(/N=C2/SC(CC(=O)Nc3ccc(Cl)cc3)C(=O)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000101600244 554803873 /nfs/dbraw/zinc/80/38/73/554803873.db2.gz CHNTTWDOFORURU-IHMZUKPYSA-N 0 2 540.041 5.526 40 30 KKEBLN COc1ccc(/N=C2/S[C@H](CC(=O)Nc3ccc(Cl)cc3)C(=O)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000101600244 554803874 /nfs/dbraw/zinc/80/38/74/554803874.db2.gz CHNTTWDOFORURU-IHMZUKPYSA-N 0 2 540.041 5.526 40 30 KKEBLN CCOC(=O)c1ccc(NC(=O)CC2S/C(=N/c3ccc(OC)cc3)N(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000101600436 554803880 /nfs/dbraw/zinc/80/38/80/554803880.db2.gz GSHSRSCWYFQGHG-LUFWVTBTSA-N 0 2 547.633 5.041 40 30 KKEBLN CCOC(=O)c1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(OC)cc3)N(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000101600436 554803881 /nfs/dbraw/zinc/80/38/81/554803881.db2.gz GSHSRSCWYFQGHG-LUFWVTBTSA-N 0 2 547.633 5.041 40 30 KKEBLN N#C[C@@H](C(N)=O)[C@H](c1c(-c2ccccc2)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O)c1ccc(Br)cc1 ZINC000102071798 554873908 /nfs/dbraw/zinc/87/39/08/554873908.db2.gz PNWGDFJSFHZKND-GMKZXUHWSA-N 0 2 570.472 5.349 40 30 KKEBLN COc1ccc(/N=C2\SC(CC(=O)Nc3ccccc3)C(=O)N2CCC(c2ccccc2)c2ccccc2)cc1 ZINC000102405955 554920586 /nfs/dbraw/zinc/92/05/86/554920586.db2.gz AJWZZKWGHHZQHF-HJYNKWJXSA-N 0 2 549.696 6.878 40 30 KKEBLN COc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CCC(c2ccccc2)c2ccccc2)cc1 ZINC000102405955 554920588 /nfs/dbraw/zinc/92/05/88/554920588.db2.gz AJWZZKWGHHZQHF-HJYNKWJXSA-N 0 2 549.696 6.878 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3ccccc3Cl)C(=O)N2Cc2ccccc2Cl)cc1 ZINC000102406026 554920840 /nfs/dbraw/zinc/92/08/40/554920840.db2.gz DJDFPAHUJNWYJG-DQHMDIJASA-N 0 2 556.471 6.331 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccccc3Cl)C(=O)N2Cc2ccccc2Cl)cc1 ZINC000102406026 554920842 /nfs/dbraw/zinc/92/08/42/554920842.db2.gz DJDFPAHUJNWYJG-DQHMDIJASA-N 0 2 556.471 6.331 40 30 KKEBLN O=C(CC1S/C(=N\c2ccc(Cl)cc2)N(C(c2ccccc2)c2ccccc2)C1=O)Nc1ccccc1 ZINC000102408468 554922809 /nfs/dbraw/zinc/92/28/09/554922809.db2.gz NODJCYPVRYOXEV-VFPKNACXSA-N 0 2 526.061 7.090 40 30 KKEBLN O=C(C[C@H]1S/C(=N\c2ccc(Cl)cc2)N(C(c2ccccc2)c2ccccc2)C1=O)Nc1ccccc1 ZINC000102408468 554922811 /nfs/dbraw/zinc/92/28/11/554922811.db2.gz NODJCYPVRYOXEV-VFPKNACXSA-N 0 2 526.061 7.090 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N/c3cccc4ccccc43)N(C[C@@H]3CCCO3)C2=O)cc1Cl ZINC000102961320 555176837 /nfs/dbraw/zinc/17/68/37/555176837.db2.gz ZZVRZVXKPJVEQO-YVDXJEMHSA-N 0 2 524.042 5.641 40 30 KKEBLN COc1ccc(NC(=O)C[C@H]2S/C(=N/c3cccc4ccccc43)N(C[C@@H]3CCCO3)C2=O)cc1Cl ZINC000102961320 555176838 /nfs/dbraw/zinc/17/68/38/555176838.db2.gz ZZVRZVXKPJVEQO-YVDXJEMHSA-N 0 2 524.042 5.641 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N\c3cccc4ccccc43)N(CCC3=CCCCC3)C2=O)cc1OC ZINC000102961287 555176895 /nfs/dbraw/zinc/17/68/95/555176895.db2.gz YKIUHBUGRIRVSI-QRFYQGEOSA-N 0 2 543.689 6.708 40 30 KKEBLN COc1ccc(NC(=O)C[C@H]2S/C(=N\c3cccc4ccccc43)N(CCC3=CCCCC3)C2=O)cc1OC ZINC000102961287 555176898 /nfs/dbraw/zinc/17/68/98/555176898.db2.gz YKIUHBUGRIRVSI-QRFYQGEOSA-N 0 2 543.689 6.708 40 30 KKEBLN CCOc1ccc(/N=C2\SC(CC(=O)Nc3ccccc3Br)C(=O)N2Cc2ccco2)cc1 ZINC000102961559 555177290 /nfs/dbraw/zinc/17/72/90/555177290.db2.gz FTIVCTTZRRJARV-MONKAWABSA-N 0 2 528.428 5.601 40 30 KKEBLN CCOc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccccc3Br)C(=O)N2Cc2ccco2)cc1 ZINC000102961559 555177291 /nfs/dbraw/zinc/17/72/91/555177291.db2.gz FTIVCTTZRRJARV-MONKAWABSA-N 0 2 528.428 5.601 40 30 KKEBLN CCOc1ccccc1/N=C1\SC(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C(=O)N1[C@@H](C)CCC(C)C ZINC000102961508 555177298 /nfs/dbraw/zinc/17/72/98/555177298.db2.gz TZIIHMJTDLMWJV-XZTRCRQGSA-N 0 2 542.658 5.787 40 30 KKEBLN CCOc1ccccc1/N=C1\S[C@@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C(=O)N1[C@@H](C)CCC(C)C ZINC000102961508 555177301 /nfs/dbraw/zinc/17/73/01/555177301.db2.gz TZIIHMJTDLMWJV-XZTRCRQGSA-N 0 2 542.658 5.787 40 30 KKEBLN CC(=O)c1ccc(NC(=O)CC2SC(=Nc3ccc(C)cc3)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000102961703 555177590 /nfs/dbraw/zinc/17/75/90/555177590.db2.gz MZQROWPNGQAVTO-YWFCIECYSA-N 0 2 515.591 5.087 40 30 KKEBLN CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000102961703 555177592 /nfs/dbraw/zinc/17/75/92/555177592.db2.gz MZQROWPNGQAVTO-YWFCIECYSA-N 0 2 515.591 5.087 40 30 KKEBLN Cc1ccc(/N=C2\SC(CC(=O)Nc3ccc(C)cc3[N+](=O)[O-])C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000102961687 555177595 /nfs/dbraw/zinc/17/75/95/555177595.db2.gz NIYIHGQDUNFETO-CSGLMTGXSA-N 0 2 532.578 5.101 40 30 KKEBLN Cc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccc(C)cc3[N+](=O)[O-])C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000102961687 555177598 /nfs/dbraw/zinc/17/75/98/555177598.db2.gz NIYIHGQDUNFETO-CSGLMTGXSA-N 0 2 532.578 5.101 40 30 KKEBLN CCc1ccc(N=C2SC(CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2CCc2ccccn2)cc1 ZINC000102961669 555177631 /nfs/dbraw/zinc/17/76/31/555177631.db2.gz VXFDURZEJVZDNV-BGVLTHFVSA-N 0 2 500.624 5.050 40 30 KKEBLN CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2CCc2ccccn2)cc1 ZINC000102961669 555177635 /nfs/dbraw/zinc/17/76/35/555177635.db2.gz VXFDURZEJVZDNV-BGVLTHFVSA-N 0 2 500.624 5.050 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N/c3ccc(Cl)cc3)N(Cc3ccco3)C2=O)c([N+](=O)[O-])c1 ZINC000102961734 555177644 /nfs/dbraw/zinc/17/76/44/555177644.db2.gz XQSQKRCPTAPYIO-XMVGPFMNSA-N 0 2 514.947 5.010 40 30 KKEBLN COc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(Cl)cc3)N(Cc3ccco3)C2=O)c([N+](=O)[O-])c1 ZINC000102961734 555177647 /nfs/dbraw/zinc/17/76/47/555177647.db2.gz XQSQKRCPTAPYIO-XMVGPFMNSA-N 0 2 514.947 5.010 40 30 KKEBLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC=C(Br)Cc1ccccc1 ZINC000102971214 555181709 /nfs/dbraw/zinc/18/17/09/555181709.db2.gz CRTWZGIDMWGYMF-CIQDORQPSA-N 0 2 531.388 5.238 40 30 KKEBLN CCN(Cc1ccccc1)c1ccc(CN=Nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[N+](=O)[O-])cc1 ZINC000102983965 555189926 /nfs/dbraw/zinc/18/99/26/555189926.db2.gz BRHVZMFOLRATTM-TWKHWXDSSA-N 0 2 559.648 5.877 40 30 KKEBLN CCN(Cc1ccccc1)c1ccc(C=[NH+][N-]c2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[N+](=O)[O-])cc1 ZINC000102983965 555189930 /nfs/dbraw/zinc/18/99/30/555189930.db2.gz BRHVZMFOLRATTM-TWKHWXDSSA-N 0 2 559.648 5.877 40 30 KKEBLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC(C)c1ccc2c(c1)Nc1ccccc1S2 ZINC000102984116 555190011 /nfs/dbraw/zinc/19/00/11/555190011.db2.gz BYYVXQVOLQGLTF-STBIYBPSSA-N 0 2 561.645 6.449 40 30 KKEBLN CN1c2ccccc2C(C)(C)C1C=CN=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000102984342 555190240 /nfs/dbraw/zinc/19/02/40/555190240.db2.gz MSGARHUDLMEHOG-WBARSBDTSA-N 0 2 526.018 5.758 40 30 KKEBLN CCOc1ccccc1/N=C1\SC(CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1[C@H](C)CCC(C)C ZINC000102995319 555194967 /nfs/dbraw/zinc/19/49/67/555194967.db2.gz ONMJSXAPMVKMLL-RTCODJAQSA-N 0 2 535.632 6.889 40 30 KKEBLN CCOc1ccccc1/N=C1\S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1[C@H](C)CCC(C)C ZINC000102995319 555194969 /nfs/dbraw/zinc/19/49/69/555194969.db2.gz ONMJSXAPMVKMLL-RTCODJAQSA-N 0 2 535.632 6.889 40 30 KKEBLN Cc1ccc(/N=C2\SC(CC(=O)Nc3ccc(Br)cc3)C(=O)N2C[C@H]2CCCO2)cc1C ZINC000102997832 555197248 /nfs/dbraw/zinc/19/72/48/555197248.db2.gz WKCPRQQFUIUTHF-RSIBPKCYSA-N 0 2 516.461 5.205 40 30 KKEBLN Cc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccc(Br)cc3)C(=O)N2C[C@H]2CCCO2)cc1C ZINC000102997832 555197251 /nfs/dbraw/zinc/19/72/51/555197251.db2.gz WKCPRQQFUIUTHF-RSIBPKCYSA-N 0 2 516.461 5.205 40 30 KKEBLN CCCCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)OCC ZINC000103001422 555201203 /nfs/dbraw/zinc/20/12/03/555201203.db2.gz XWFHSBUIROKMJX-VWLOTQADSA-N 0 2 520.711 7.152 40 30 KKEBLN O=[N+]([O-])c1cc(/C=N/c2ccc3nc(Sc4nc(N5CCCCC5)nc(N5CCCCC5)n4)sc3c2)ccc1O ZINC000103762419 555471791 /nfs/dbraw/zinc/47/17/91/555471791.db2.gz JZHSCNSYTOHUFA-OGLMXYFKSA-N 0 2 576.708 5.978 40 30 KKEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Br ZINC000103842295 571362338 /nfs/dbraw/zinc/36/23/38/571362338.db2.gz DBVAUZQWXGAWHL-FOKLQQMPSA-N 0 2 595.921 6.802 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(OCC)ccc3OCC)C2=O)cc(Br)c1OCc1ccccc1F ZINC000103841805 571362412 /nfs/dbraw/zinc/36/24/12/571362412.db2.gz QSFCJZZQJCIOOI-HZHRSRAPSA-N 0 2 623.475 6.360 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000103850610 571364587 /nfs/dbraw/zinc/36/45/87/571364587.db2.gz ABSDZNLOPXZVKH-HYARGMPZSA-N 0 2 535.369 5.562 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000103850641 571364672 /nfs/dbraw/zinc/36/46/72/571364672.db2.gz NZIJUGGAXUVWFY-OEAKJJBVSA-N 0 2 549.396 5.871 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000103859454 571367086 /nfs/dbraw/zinc/36/70/86/571367086.db2.gz DZSWHIGBRUNMKU-CIAFOILYSA-N 0 2 616.295 6.738 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000103859491 571367104 /nfs/dbraw/zinc/36/71/04/571367104.db2.gz MWWWJGYRXMHRTD-OEAKJJBVSA-N 0 2 592.402 5.340 40 30 KKEBLN Cc1cccc(C)c1/N=C1\SC(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C(=O)N1C[C@H]1CCCO1 ZINC000112361945 571438478 /nfs/dbraw/zinc/43/84/78/571438478.db2.gz FEUDYXFFZJZTPN-GSPVBBINSA-N 0 2 540.007 6.115 40 30 KKEBLN Cc1cccc(C)c1/N=C1\S[C@@H](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C(=O)N1C[C@H]1CCCO1 ZINC000112361945 571438479 /nfs/dbraw/zinc/43/84/79/571438479.db2.gz FEUDYXFFZJZTPN-GSPVBBINSA-N 0 2 540.007 6.115 40 30 KKEBLN Cc1cccc(C)c1/N=C1\SC(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C(=O)N1C[C@H]1CCCO1 ZINC000112361947 571438487 /nfs/dbraw/zinc/43/84/87/571438487.db2.gz FEUDYXFFZJZTPN-ZHHGJNHMSA-N 0 2 540.007 6.115 40 30 KKEBLN Cc1cccc(C)c1/N=C1\S[C@H](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C(=O)N1C[C@H]1CCCO1 ZINC000112361947 571438489 /nfs/dbraw/zinc/43/84/89/571438489.db2.gz FEUDYXFFZJZTPN-ZHHGJNHMSA-N 0 2 540.007 6.115 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000164346015 571546286 /nfs/dbraw/zinc/54/62/86/571546286.db2.gz QNNULJDREUFVES-WCMJOSRZSA-N 0 2 777.497 8.495 40 30 KKEBLN N#Cc1ccccc1COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1I ZINC000164374301 571546492 /nfs/dbraw/zinc/54/64/92/571546492.db2.gz ZKFNUAFPNUCQJS-DJKKODMXSA-N 0 2 646.210 5.310 40 30 KKEBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCC#N ZINC000210824342 571575861 /nfs/dbraw/zinc/57/58/61/571575861.db2.gz HDNWGWWMEMYPJN-FOKLQQMPSA-N 0 2 590.474 5.494 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000408536618 572191552 /nfs/dbraw/zinc/19/15/52/572191552.db2.gz AEGWRDXOWHXVDK-JCMHNJIXSA-N 0 2 513.034 6.371 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000408538417 572198139 /nfs/dbraw/zinc/19/81/39/572198139.db2.gz MPDKIHJEXJIGTD-PDGQHHTCSA-N 0 2 598.321 7.170 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1Cl ZINC000408538387 572198162 /nfs/dbraw/zinc/19/81/62/572198162.db2.gz MBFQQCCZSIUTQJ-XSFVSMFZSA-N 0 2 519.425 6.408 40 30 KKEBLN CCCCCCCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000408538498 572198748 /nfs/dbraw/zinc/19/87/48/572198748.db2.gz NWMZZHGSVGNIHF-LTGZKZEYSA-N 0 2 578.301 6.617 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCCC)c(OCC)c3)C2=O)cc1OC ZINC000408538632 572199116 /nfs/dbraw/zinc/19/91/16/572199116.db2.gz ATQMIRURXWPQDH-HAVVHWLPSA-N 0 2 587.113 6.942 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1Cl ZINC000408538983 572200495 /nfs/dbraw/zinc/20/04/95/572200495.db2.gz SKKUHECWHGAEHV-ZHZULCJRSA-N 0 2 547.435 6.186 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Br ZINC000408539897 572203755 /nfs/dbraw/zinc/20/37/55/572203755.db2.gz ZVUZWRKJZPJFEQ-ITYLOYPMSA-N 0 2 684.425 8.196 40 30 KKEBLN CCCCCCCCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccc(OCCC)c(OC)c2)C1=O ZINC000408540244 572205089 /nfs/dbraw/zinc/20/50/89/572205089.db2.gz PAWCZYKDHZSSAK-NKFKGCMQSA-N 0 2 543.060 6.543 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OCC ZINC000408541216 572207861 /nfs/dbraw/zinc/20/78/61/572207861.db2.gz YKYFBSBRFIFGAX-HKWRFOASSA-N 0 2 547.479 7.106 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1Cl ZINC000408541127 572207892 /nfs/dbraw/zinc/20/78/92/572207892.db2.gz XXEBNISIWAUTQY-XDHOZWIPSA-N 0 2 537.871 7.361 40 30 KKEBLN N#Cc1ccccc1COc1c(Cl)cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1Cl ZINC000408565221 572252029 /nfs/dbraw/zinc/25/20/29/572252029.db2.gz IZEPNUGVZFYYME-CBZDIVBHSA-N 0 2 549.414 5.499 40 30 KKEBLN C#CCOC(=O)c1cccc(-c2ccc(C(c3c(C)[nH]n(-c4ccccc4)c3=O)c3c(C)[nH]n(-c4ccccc4)c3=O)o2)c1 ZINC000108423114 1069717683 /nfs/dbraw/zinc/71/76/83/1069717683.db2.gz RVNQQAWEWOYCDX-UHFFFAOYSA-N 0 2 584.632 6.316 40 30 KKEBLN COc1cc(C=C2SC(=N)C(c3nccs3)=C2O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409337471 1069805297 /nfs/dbraw/zinc/80/52/97/1069805297.db2.gz VFGUGSFBJULVLZ-CJFBKLJESA-N 0 2 580.323 6.674 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408783813 1069910749 /nfs/dbraw/zinc/91/07/49/1069910749.db2.gz NGTYEFHJIFSWTC-OEAKJJBVSA-N 0 2 565.453 6.674 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000408782759 1069908461 /nfs/dbraw/zinc/90/84/61/1069908461.db2.gz YWMCNCWFGQVSOY-MTDXEUNCSA-N 0 2 532.596 6.131 40 30 KKEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1OCC ZINC000408830738 1070018516 /nfs/dbraw/zinc/01/85/16/1070018516.db2.gz PVXXXQARSGDQHQ-OEAKJJBVSA-N 0 2 565.409 5.650 40 30 KKEBLN C#CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc1OC ZINC000408832093 1070022788 /nfs/dbraw/zinc/02/27/88/1070022788.db2.gz PWLWHQMQPKBZGV-PWRNKBSVSA-N 0 2 702.605 7.014 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408851967 1070058994 /nfs/dbraw/zinc/05/89/94/1070058994.db2.gz OJEXKXJZVUKZGJ-ZVHZXABRSA-N 0 2 624.329 6.802 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(OCC)ccc3OCC)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000408850036 1070063730 /nfs/dbraw/zinc/06/37/30/1070063730.db2.gz DGSZRRNYAYFBHZ-YZSQISJMSA-N 0 2 570.642 5.775 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000408909395 1070198086 /nfs/dbraw/zinc/19/80/86/1070198086.db2.gz GYDUWVVGVSNEBQ-JVWAILMASA-N 0 2 536.559 5.961 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OCc1cccc(F)c1 ZINC000408990886 1070357382 /nfs/dbraw/zinc/35/73/82/1070357382.db2.gz OSSIPWJKQTVFNK-QRVIBDJDSA-N 0 2 534.971 5.770 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000408991292 1070357661 /nfs/dbraw/zinc/35/76/61/1070357661.db2.gz QCEJKOGUJHJWEQ-UCQKPKSFSA-N 0 2 565.453 6.674 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409064906 1070481050 /nfs/dbraw/zinc/48/10/50/1070481050.db2.gz IZMTXJRBADEPJP-PCLIKHOPSA-N 0 2 575.017 5.499 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000409065913 1070482580 /nfs/dbraw/zinc/48/25/80/1070482580.db2.gz OAAQZGHCIVUVNX-XQNSMLJCSA-N 0 2 531.008 6.021 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000409067191 1070483326 /nfs/dbraw/zinc/48/33/26/1070483326.db2.gz OEAWUMPIUFLYKI-YZSQISJMSA-N 0 2 526.589 5.376 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409072575 1070499160 /nfs/dbraw/zinc/49/91/60/1070499160.db2.gz CSBQRDOGKVCOAT-KEBDBYFISA-N 0 2 606.289 7.283 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OCC)c1OS(=O)(=O)c1ccccc1 ZINC000409073425 1070500478 /nfs/dbraw/zinc/50/04/78/1070500478.db2.gz YSPQBQWBABQRFR-CJLVFECKSA-N 0 2 581.046 5.210 40 30 KKEBLN N#Cc1ccccc1COc1c(I)cc(I)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000408902010 1070914630 /nfs/dbraw/zinc/91/46/30/1070914630.db2.gz DMBXGYSAEINAOG-KEBDBYFISA-N 0 2 754.116 5.775 40 30 KKEBLN CCCC[Si]([C@@H]1CCC[C@@H](C(F)(F)F)C1)([C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000195766536 1071214739 /nfs/dbraw/zinc/21/47/39/1071214739.db2.gz XIMIMAOJORLRCL-IUVRRTPNSA-N 0 2 538.655 10.603 40 30 KKEBLN C#CCn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c2ccccc21 ZINC000408951577 1071350593 /nfs/dbraw/zinc/35/05/93/1071350593.db2.gz LXLRBCDTBBUICV-JFLMPSFJSA-N 0 2 503.602 5.409 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OC)c1OCc1ccccc1 ZINC000408948353 1071366275 /nfs/dbraw/zinc/36/62/75/1071366275.db2.gz FROBDMSEWKXOOA-KCSSXMTESA-N 0 2 602.731 7.137 40 30 KKEBLN N#Cc1ccccc1COc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408956452 1071377329 /nfs/dbraw/zinc/37/73/29/1071377329.db2.gz WVVYZJQKRSAQIW-FABQOPTDSA-N 0 2 607.710 7.425 40 30 KKEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Br ZINC000408956104 1071380636 /nfs/dbraw/zinc/38/06/36/1071380636.db2.gz WCVBXAWYZAFTIC-ZMOGYAJESA-N 0 2 561.476 6.148 40 30 KKEBLN C=CCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OCC ZINC000408985101 1071503386 /nfs/dbraw/zinc/50/33/86/1071503386.db2.gz VFZACSISMWZCSU-SXGWCWSVSA-N 0 2 519.779 5.041 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408983590 1071515148 /nfs/dbraw/zinc/51/51/48/1071515148.db2.gz MOPZHIBGCSMZGQ-JMIUGGIZSA-N 0 2 634.741 7.692 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408983449 1071516349 /nfs/dbraw/zinc/51/63/49/1071516349.db2.gz MEVPYTGGSOVPTA-IWIPYMOSSA-N 0 2 535.427 6.530 40 30 KKEBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000408983148 1071518803 /nfs/dbraw/zinc/51/88/03/1071518803.db2.gz KYZMJJMJWVJJRD-FBHDLOMBSA-N 0 2 550.398 5.818 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccccc1F ZINC000408982626 1071525087 /nfs/dbraw/zinc/52/50/87/1071525087.db2.gz INOZRWNLJCPRQX-HMAPJEAMSA-N 0 2 504.945 5.761 40 30 KKEBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000408982644 1071525281 /nfs/dbraw/zinc/52/52/81/1071525281.db2.gz ISVNSQDJCVYPSY-MBTHVWNTSA-N 0 2 565.029 6.173 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408982930 1071522408 /nfs/dbraw/zinc/52/24/08/1071522408.db2.gz IXOPJIWJLDYAEM-BRPDVVIDSA-N 0 2 516.597 6.376 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408992119 1071575208 /nfs/dbraw/zinc/57/52/08/1071575208.db2.gz SAMRQJUPZOSDIT-XYGWBWBKSA-N 0 2 559.460 6.294 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000408991908 1071576307 /nfs/dbraw/zinc/57/63/07/1071576307.db2.gz RLVVZFCVMZFTPW-CEUNXORHSA-N 0 2 546.623 6.385 40 30 KKEBLN C=CCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1I ZINC000408991044 1071583673 /nfs/dbraw/zinc/58/36/73/1071583673.db2.gz YSNFNXBLPOCOGD-AUWJEWJLSA-N 0 2 648.622 5.089 40 30 KKEBLN COc1ccc(-c2oc(/N=C/c3cc(I)cc(I)c3O)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000408728129 1071597427 /nfs/dbraw/zinc/59/74/27/1071597427.db2.gz HZVTWSQCGVIKJJ-AMVVHIIESA-N 0 2 676.248 7.168 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000408988663 1071604271 /nfs/dbraw/zinc/60/42/71/1071604271.db2.gz IUCIJKFGAQOJFM-OYKKKHCWSA-N 0 2 531.008 5.939 40 30 KKEBLN O=C1NC(=Nc2ccc(Cl)cc2[N+](=O)[O-])S/C1=C/c1cc(Br)c(O)c(Br)c1 ZINC000408755157 1071646581 /nfs/dbraw/zinc/64/65/81/1071646581.db2.gz YZUFXDUOKTTWSJ-WLRTZDKTSA-N 0 2 533.585 5.370 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408753377 1071657962 /nfs/dbraw/zinc/65/79/62/1071657962.db2.gz MHXNEMJXUKJIAC-LPYMAVHISA-N 0 2 628.292 6.633 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000408752133 1071667191 /nfs/dbraw/zinc/66/71/91/1071667191.db2.gz GAPQUMYBQCCJEP-MTDXEUNCSA-N 0 2 625.519 7.283 40 30 KKEBLN O=C1NC(=Nc2ccccc2Br)S/C1=C/c1cc(Br)c(O)c(Br)c1 ZINC000408750042 1071679895 /nfs/dbraw/zinc/67/98/95/1071679895.db2.gz WQEXYYIXJJHVRA-NTUHNPAUSA-N 0 2 533.039 5.571 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000408758886 1071703032 /nfs/dbraw/zinc/70/30/32/1071703032.db2.gz TZUQETCZFCKYEK-BUVRLJJBSA-N 0 2 593.449 6.269 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000408765805 1071722821 /nfs/dbraw/zinc/72/28/21/1071722821.db2.gz QKOUKDOOWXVOTE-PCLIKHOPSA-N 0 2 589.486 6.439 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000408764360 1071729232 /nfs/dbraw/zinc/72/92/32/1071729232.db2.gz MLDLHTLNKHSUEJ-YDZHTSKRSA-N 0 2 635.312 6.366 40 30 KKEBLN Cc1cc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCc4ccccc4C#N)c(I)c3)C2=O)ccc1Br ZINC000408764042 1071730078 /nfs/dbraw/zinc/73/00/78/1071730078.db2.gz VSDPFIJNBXPIKD-DJKKODMXSA-N 0 2 721.143 6.242 40 30 KKEBLN Cc1cc(N=C2NC(=O)/C(=C/c3cc(Br)c(O)c(Br)c3)S2)cc(C)c1Br ZINC000408762462 1071735921 /nfs/dbraw/zinc/73/59/21/1071735921.db2.gz KYMRKUMRELSNJE-AUWJEWJLSA-N 0 2 561.093 6.188 40 30 KKEBLN Oc1c(I)cc(I)cc1/C=N/c1ccc(-c2ccc(/N=C/c3cc(I)cc(I)c3O)cc2)cc1 ZINC000409018226 1071733124 /nfs/dbraw/zinc/73/31/24/1071733124.db2.gz ROJOFLWQVCERDF-GCFMLEDASA-N 0 2 896.042 8.684 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc2c(c1)OCO2 ZINC000408774060 1071762813 /nfs/dbraw/zinc/76/28/13/1071762813.db2.gz ACHRULDXKGONAW-LPYMAVHISA-N 0 2 516.937 5.043 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OCc1cccc(C)c1 ZINC000408773899 1071765743 /nfs/dbraw/zinc/76/57/43/1071765743.db2.gz UEPWCQDRYAZXRN-PCLIKHOPSA-N 0 2 531.008 6.021 40 30 KKEBLN N#Cc1ccccc1COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1I ZINC000408768762 1071798775 /nfs/dbraw/zinc/79/87/75/1071798775.db2.gz IYWFYDZJXOVHAX-DJKKODMXSA-N 0 2 662.665 5.824 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 ZINC000408767654 1071807025 /nfs/dbraw/zinc/80/70/25/1071807025.db2.gz ZLLGUNDXQJNODT-SRZZPIQSSA-N 0 2 654.311 6.223 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408781802 1071813718 /nfs/dbraw/zinc/81/37/18/1071813718.db2.gz DUGNJGGCLLUINR-LPYMAVHISA-N 0 2 541.818 6.621 40 30 KKEBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccccc4C#N)c(I)c3)C2=O)c1 ZINC000408780094 1071826069 /nfs/dbraw/zinc/82/60/69/1071826069.db2.gz RYEMPYHQYQNBFA-WSDLNYQXSA-N 0 2 577.378 5.025 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408779525 1071828749 /nfs/dbraw/zinc/82/87/49/1071828749.db2.gz XSJLAMWBYBUQFB-ZVHZXABRSA-N 0 2 535.427 6.584 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OCC)c1OCc1ccc(I)cc1 ZINC000408779718 1071828884 /nfs/dbraw/zinc/82/88/84/1071828884.db2.gz ITYQAHRECOZKFN-WGOQTCKBSA-N 0 2 636.486 6.281 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408778612 1071835334 /nfs/dbraw/zinc/83/53/34/1071835334.db2.gz INJFPEMWMLKLMB-TURZUDJPSA-N 0 2 502.570 6.122 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408787344 1071900783 /nfs/dbraw/zinc/90/07/83/1071900783.db2.gz YEWVAEIPGPOXFG-LPYMAVHISA-N 0 2 551.426 6.284 40 30 KKEBLN C=CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O ZINC000409056648 1071920360 /nfs/dbraw/zinc/92/03/60/1071920360.db2.gz NDUZXQKTINEWPV-OVCLIPMQSA-N 0 2 540.595 5.096 40 30 KKEBLN C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl ZINC000409048678 1071970453 /nfs/dbraw/zinc/97/04/53/1071970453.db2.gz UKIQYXBDALINAI-FYJGNVAPSA-N 0 2 521.356 5.251 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000409066998 1071999163 /nfs/dbraw/zinc/99/91/63/1071999163.db2.gz NENXXDMVYFROBX-PCLIKHOPSA-N 0 2 530.552 5.207 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409066978 1071999228 /nfs/dbraw/zinc/99/92/28/1071999228.db2.gz OIYUXYMSGKTTKT-YDZHTSKRSA-N 0 2 547.951 5.231 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409065587 1072009095 /nfs/dbraw/zinc/00/90/95/1072009095.db2.gz HUNJULAHFAZGAT-WGOQTCKBSA-N 0 2 545.035 6.329 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000409064453 1072014032 /nfs/dbraw/zinc/01/40/32/1072014032.db2.gz HDKIZHLTFUITAZ-TWKHWXDSSA-N 0 2 623.105 7.292 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000409063634 1072020202 /nfs/dbraw/zinc/02/02/02/1072020202.db2.gz DBCSFGQGELQDIO-VUTHCHCSSA-N 0 2 562.622 6.221 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409063385 1072021608 /nfs/dbraw/zinc/02/16/08/1072021608.db2.gz BASUFNLVHKCJNO-CIAFOILYSA-N 0 2 582.396 5.884 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409074494 1072040898 /nfs/dbraw/zinc/04/08/98/1072040898.db2.gz MCUWXIREDSVRHA-YDZHTSKRSA-N 0 2 551.426 6.284 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409076926 1072045307 /nfs/dbraw/zinc/04/53/07/1072045307.db2.gz CKTNBIYVTCPPFL-FYJGNVAPSA-N 0 2 637.399 5.851 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409076490 1072050911 /nfs/dbraw/zinc/05/09/11/1072050911.db2.gz AELHKHVWXBTYNH-LDADJPATSA-N 0 2 578.921 5.352 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409075528 1072060605 /nfs/dbraw/zinc/06/06/05/1072060605.db2.gz RJPITIOVTXJWHY-BUVRLJJBSA-N 0 2 532.980 5.331 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000409075122 1072062264 /nfs/dbraw/zinc/06/22/64/1072062264.db2.gz UTDXTJQHIULQCS-KOEQRZSOSA-N 0 2 512.562 5.068 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000409073959 1072070559 /nfs/dbraw/zinc/07/05/59/1072070559.db2.gz OLTQTUXNMBWBMG-ZVHZXABRSA-N 0 2 548.998 6.160 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000409073962 1072070657 /nfs/dbraw/zinc/07/06/57/1072070657.db2.gz ONMBYZCYIZVASN-BUVRLJJBSA-N 0 2 545.523 5.107 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409073556 1072074331 /nfs/dbraw/zinc/07/43/31/1072074331.db2.gz ZWWZNHJROJFYDX-HYARGMPZSA-N 0 2 615.491 5.863 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000409073630 1072075245 /nfs/dbraw/zinc/07/52/45/1072075245.db2.gz QSLOLWOXILNQIF-HZHRSRAPSA-N 0 2 560.990 5.109 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000409072817 1072079363 /nfs/dbraw/zinc/07/93/63/1072079363.db2.gz DSIOQXVPHXUEIM-ZVHZXABRSA-N 0 2 545.523 5.107 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OCc1cccc(F)c1 ZINC000409071305 1072091304 /nfs/dbraw/zinc/09/13/04/1072091304.db2.gz JFDOOMLJQAFKSC-YDZHTSKRSA-N 0 2 520.944 5.462 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000409070991 1072092881 /nfs/dbraw/zinc/09/28/81/1072092881.db2.gz PPYFRMHYMOFQSY-BUVRLJJBSA-N 0 2 577.431 5.527 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409069887 1072098759 /nfs/dbraw/zinc/09/87/59/1072098759.db2.gz YGYDLFPNUDZTJI-BUVRLJJBSA-N 0 2 560.990 5.109 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409070148 1072096556 /nfs/dbraw/zinc/09/65/56/1072096556.db2.gz NDCLZUJGQLMTLN-WSDLNYQXSA-N 0 2 553.398 5.682 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409070185 1072096733 /nfs/dbraw/zinc/09/67/33/1072096733.db2.gz DUCYXDBCIFDHQT-ZVHZXABRSA-N 0 2 576.005 5.929 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409069537 1072103094 /nfs/dbraw/zinc/10/30/94/1072103094.db2.gz DHLSDDTUXWPRRD-YDZHTSKRSA-N 0 2 537.399 5.976 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409069229 1072105367 /nfs/dbraw/zinc/10/53/67/1072105367.db2.gz VHNYWYMLXDCDCX-CIAFOILYSA-N 0 2 571.844 6.629 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000409068869 1072107325 /nfs/dbraw/zinc/10/73/25/1072107325.db2.gz JSFZPSIVLPINHM-YDZHTSKRSA-N 0 2 596.423 6.274 40 30 KKEBLN CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cc(Br)c(O)c(Br)c3)c2C(=O)NCc2ccco2)C1 ZINC000409080241 1072124105 /nfs/dbraw/zinc/12/41/05/1072124105.db2.gz MLPHWVQWDVUPDD-DBUPPGCOSA-N 0 2 594.369 7.403 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409079293 1072136779 /nfs/dbraw/zinc/13/67/79/1072136779.db2.gz JDQXGSLGPKTWPP-UDWIEESQSA-N 0 2 578.921 5.352 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409082624 1072209618 /nfs/dbraw/zinc/20/96/18/1072209618.db2.gz SBACHYFRBQFUFL-UDWIEESQSA-N 0 2 623.372 5.461 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409091944 1072266729 /nfs/dbraw/zinc/26/67/29/1072266729.db2.gz RTKGYSHOLFZPMG-CIAFOILYSA-N 0 2 606.975 6.051 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409088882 1072294661 /nfs/dbraw/zinc/29/46/61/1072294661.db2.gz KXBQQJSWGASFEV-VCHYOVAHSA-N 0 2 636.366 7.116 40 30 KKEBLN CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)ccc1OCc1ccc(Cl)cc1 ZINC000409337642 1072492163 /nfs/dbraw/zinc/49/21/63/1072492163.db2.gz WZLSVXCNUJPCKX-OZACXRCISA-N 0 2 500.045 6.149 40 30 KKEBLN CCc1nnc(C2=C(O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)SC2=N)s1 ZINC000409337725 1072492821 /nfs/dbraw/zinc/49/28/21/1072492821.db2.gz ZDPRYEIQLSMINM-HKDICLHKSA-N 0 2 520.463 6.413 40 30 KKEBLN Cc1cc(/C=C2\SC(=Nc3ccccc3)N(CCC[NH+]3CCOCC3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409386649 1072686057 /nfs/dbraw/zinc/68/60/57/1072686057.db2.gz QXJZGKJIJHJMKD-AWVZRPFUSA-N 0 2 604.798 6.059 40 30 KKEBLN N#Cc1ccccc1COc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br ZINC000409400151 1072746619 /nfs/dbraw/zinc/74/66/19/1072746619.db2.gz PKZYBNTZUCDTTH-GRSHGNNSSA-N 0 2 553.210 5.124 40 30 KKEBLN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1ccccc1C#N ZINC000409399230 1072750068 /nfs/dbraw/zinc/75/00/68/1072750068.db2.gz GRVGYWAAPVBKII-ODLFYWEKSA-N 0 2 583.236 5.132 40 30 KKEBLN COCc1nnc([C@@H](Cc2ccccc2)NC(=O)C[C@@H](c2ccc(SC)cc2)C2C(=O)C[C@@H](C)[C@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)C2=O)[nH]1 ZINC001547138727 1073180261 /nfs/dbraw/zinc/18/02/61/1073180261.db2.gz QSVTZVZBOIDRLS-DYOIAYFRSA-N 0 2 747.270 6.353 40 30 KKEBLN COCc1nnc([C@H](Cc2ccccc2)NC(=O)C[C@H](c2ccc(SC)cc2)C2C(=O)C[C@@H](C)[C@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)C2=O)[nH]1 ZINC001547138729 1073180269 /nfs/dbraw/zinc/18/02/69/1073180269.db2.gz QSVTZVZBOIDRLS-HTJYYYCSSA-N 0 2 747.270 6.353 40 30 KKEBLN O=C(CC1S/C(=N\N=C\c2c3ccccc3[nH]c2-c2ccccc2)NC1=O)Nc1ccc(Br)cc1 ZINC000001447450 551674274 /nfs/dbraw/zinc/67/42/74/551674274.db2.gz UJUDHMWSIMVIAN-SQEMJAKJSA-N 0 2 546.450 5.548 40 30 KKEBLN O=C(C[C@@H]1S/C(=N\N=C\c2c3ccccc3[nH]c2-c2ccccc2)NC1=O)Nc1ccc(Br)cc1 ZINC000001447450 551674277 /nfs/dbraw/zinc/67/42/77/551674277.db2.gz UJUDHMWSIMVIAN-SQEMJAKJSA-N 0 2 546.450 5.548 40 30 KKEBLN CCOc1ccc(N=C2SC(CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000003245748 552320499 /nfs/dbraw/zinc/32/04/99/552320499.db2.gz SMQYXBRAPJTKSA-RYRBQSRMSA-N 0 2 545.617 5.177 40 30 KKEBLN CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000003245748 552320503 /nfs/dbraw/zinc/32/05/03/552320503.db2.gz SMQYXBRAPJTKSA-RYRBQSRMSA-N 0 2 545.617 5.177 40 30 KKEBLN O=C(CC1S/C(=N\c2ccc(Cl)c(Cl)c2)N(CCC2=CCCCC2)C1=O)Nc1ccc(F)cc1 ZINC000003286204 552337639 /nfs/dbraw/zinc/33/76/39/552337639.db2.gz WNUIUDBDERIBQC-XNTIDICGSA-N 0 2 520.457 6.983 40 30 KKEBLN O=C(C[C@@H]1S/C(=N\c2ccc(Cl)c(Cl)c2)N(CCC2=CCCCC2)C1=O)Nc1ccc(F)cc1 ZINC000003286204 552337642 /nfs/dbraw/zinc/33/76/42/552337642.db2.gz WNUIUDBDERIBQC-XNTIDICGSA-N 0 2 520.457 6.983 40 30 KKEBLN C=CC/N=c1/scc(-c2ccc(OC)cc2)n1/N=C/c1cc(Br)c(O)c(Br)c1 ZINC000003287971 552338653 /nfs/dbraw/zinc/33/86/53/552338653.db2.gz NUOLUSIMZBTBJN-XATMHOQWSA-N 0 2 523.250 5.425 40 30 KKEBLN O=C(CC1S/C(=N/c2cccc3ccccc32)N(Cc2ccc3c(c2)OCO3)C1=O)Nc1ccc(Cl)cc1 ZINC000003350523 552367104 /nfs/dbraw/zinc/36/71/04/552367104.db2.gz LDFSNODJILTRPM-NVDYORLRSA-N 0 2 544.032 6.382 40 30 KKEBLN O=C(C[C@@H]1S/C(=N/c2cccc3ccccc32)N(Cc2ccc3c(c2)OCO3)C1=O)Nc1ccc(Cl)cc1 ZINC000003350523 552367106 /nfs/dbraw/zinc/36/71/06/552367106.db2.gz LDFSNODJILTRPM-NVDYORLRSA-N 0 2 544.032 6.382 40 30 KKEBLN CC/C(=N\N=C1/NC(=O)C(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)S1)c1ccc(OC)cc1 ZINC000012529285 553385375 /nfs/dbraw/zinc/38/53/75/553385375.db2.gz OZHHWAWBJMUCJC-OJPXDDBDSA-N 0 2 512.941 5.098 40 30 KKEBLN CC/C(=N\N=C1/NC(=O)[C@H](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)S1)c1ccc(OC)cc1 ZINC000012529285 553385376 /nfs/dbraw/zinc/38/53/76/553385376.db2.gz OZHHWAWBJMUCJC-OJPXDDBDSA-N 0 2 512.941 5.098 40 30 KKEBLN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC(C)c2ccc(OC(F)F)cc2)c(C)c1 ZINC000012660232 553411741 /nfs/dbraw/zinc/41/17/41/553411741.db2.gz QEYUAMOEHCQAOC-WGOQTCKBSA-N 0 2 504.515 5.450 40 30 KKEBLN Cc1ccc(/N=C2\SC(CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)C(=O)N2[C@H](C)C(C)C)c(C)c1 ZINC000015911356 553541094 /nfs/dbraw/zinc/54/10/94/553541094.db2.gz BDMSYDFLRBSLCP-JBWIOHFISA-N 0 2 503.024 5.870 40 30 KKEBLN Cc1ccc(/N=C2\S[C@@H](CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)C(=O)N2[C@H](C)C(C)C)c(C)c1 ZINC000015911356 553541096 /nfs/dbraw/zinc/54/10/96/553541096.db2.gz BDMSYDFLRBSLCP-JBWIOHFISA-N 0 2 503.024 5.870 40 30 KKEBLN O=C(CC1S/C(=N/c2ccc(OC(F)F)cc2)N([C@H]2CCCc3ccccc32)C1=O)Nc1ccccc1 ZINC000015911282 553541138 /nfs/dbraw/zinc/54/11/38/553541138.db2.gz GWCXNJWXRCEVQI-ZUMKWGFJSA-N 0 2 521.589 6.326 40 30 KKEBLN O=C(C[C@@H]1S/C(=N/c2ccc(OC(F)F)cc2)N([C@H]2CCCc3ccccc32)C1=O)Nc1ccccc1 ZINC000015911282 553541140 /nfs/dbraw/zinc/54/11/40/553541140.db2.gz GWCXNJWXRCEVQI-ZUMKWGFJSA-N 0 2 521.589 6.326 40 30 KKEBLN CC(=O)c1ccc(NC(=O)CC2SC(=Nc3ccc(C)c(C)c3)N(CCC3=CCCCC3)C2=O)cc1 ZINC000015911418 553541184 /nfs/dbraw/zinc/54/11/84/553541184.db2.gz KJQCDLYYEHTEIB-XDNZSQCXSA-N 0 2 503.668 6.357 40 30 KKEBLN CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(CCC3=CCCCC3)C2=O)cc1 ZINC000015911418 553541186 /nfs/dbraw/zinc/54/11/86/553541186.db2.gz KJQCDLYYEHTEIB-XDNZSQCXSA-N 0 2 503.668 6.357 40 30 KKEBLN Cc1cc(C)cc(/N=C2/SC(CC(=O)Nc3ccc(Br)cc3)C(=O)N2C[C@H]2CCCO2)c1 ZINC000015912913 553541776 /nfs/dbraw/zinc/54/17/76/553541776.db2.gz FKHCYKOGOVCWQO-CUASXCPESA-N 0 2 516.461 5.205 40 30 KKEBLN Cc1cc(C)cc(/N=C2/S[C@H](CC(=O)Nc3ccc(Br)cc3)C(=O)N2C[C@H]2CCCO2)c1 ZINC000015912913 553541777 /nfs/dbraw/zinc/54/17/77/553541777.db2.gz FKHCYKOGOVCWQO-CUASXCPESA-N 0 2 516.461 5.205 40 30 KKEBLN O=C(CC1S/C(=N\c2ccc(OC(F)F)cc2)N(C[C@H]2CCCO2)C1=O)Nc1ccc(Cl)cc1 ZINC000015913085 553541870 /nfs/dbraw/zinc/54/18/70/553541870.db2.gz SPUOMORIGMEDHS-ZBAWTOQESA-N 0 2 509.962 5.081 40 30 KKEBLN O=C(C[C@H]1S/C(=N\c2ccc(OC(F)F)cc2)N(C[C@H]2CCCO2)C1=O)Nc1ccc(Cl)cc1 ZINC000015913085 553541872 /nfs/dbraw/zinc/54/18/72/553541872.db2.gz SPUOMORIGMEDHS-ZBAWTOQESA-N 0 2 509.962 5.081 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N/N=C/C(C)=C/c3ccccc3)N(Cc3ccco3)C2=O)cc1 ZINC000016779526 553581925 /nfs/dbraw/zinc/58/19/25/553581925.db2.gz HLNFIDYRCQTQKG-KNTQSKNJSA-N 0 2 502.596 5.206 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3ccc(Cl)cc3)C(=O)N2Cc2ccccc2)cc1 ZINC000020168743 553601408 /nfs/dbraw/zinc/60/14/08/553601408.db2.gz UGLXGBQQOIHITG-DQHMDIJASA-N 0 2 522.026 5.677 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(Cl)cc3)C(=O)N2Cc2ccccc2)cc1 ZINC000020168743 553601410 /nfs/dbraw/zinc/60/14/10/553601410.db2.gz UGLXGBQQOIHITG-DQHMDIJASA-N 0 2 522.026 5.677 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N/c3ccc(OC(F)F)cc3)N(C[C@@H]3CCCO3)C2=O)cc1Cl ZINC000096022012 553718806 /nfs/dbraw/zinc/71/88/06/553718806.db2.gz SZEIRBUHWPUFNT-DURSQTARSA-N 0 2 539.988 5.089 40 30 KKEBLN COc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(OC(F)F)cc3)N(C[C@@H]3CCCO3)C2=O)cc1Cl ZINC000096022012 553718808 /nfs/dbraw/zinc/71/88/08/553718808.db2.gz SZEIRBUHWPUFNT-DURSQTARSA-N 0 2 539.988 5.089 40 30 KKEBLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC(C)c1ccc(C2CCCCC2)cc1 ZINC000096398876 553753303 /nfs/dbraw/zinc/75/33/03/553753303.db2.gz AULPIWXBOOZXKM-USHMODERSA-N 0 2 522.627 6.288 40 30 KKEBLN CCOc1ccc(/N=C2/SC(CC(=O)Nc3cccc4ccccc43)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000096400522 553753674 /nfs/dbraw/zinc/75/36/74/553753674.db2.gz CLBCQJMOECOEBO-GUZLXPFDSA-N 0 2 503.624 5.378 40 30 KKEBLN CCOc1ccc(/N=C2/S[C@H](CC(=O)Nc3cccc4ccccc43)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000096400522 553753677 /nfs/dbraw/zinc/75/36/77/553753677.db2.gz CLBCQJMOECOEBO-GUZLXPFDSA-N 0 2 503.624 5.378 40 30 KKEBLN CC(=O)c1ccc(NC(=O)CC2SC(=Nc3ccc(C)c(C)c3)N(CCC3=CCCCC3)C2=O)cc1 ZINC000096400537 553753962 /nfs/dbraw/zinc/75/39/62/553753962.db2.gz KJQCDLYYEHTEIB-LWPYMBBZSA-N 0 2 503.668 6.357 40 30 KKEBLN CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(CCC3=CCCCC3)C2=O)cc1 ZINC000096400537 553753966 /nfs/dbraw/zinc/75/39/66/553753966.db2.gz KJQCDLYYEHTEIB-LWPYMBBZSA-N 0 2 503.668 6.357 40 30 KKEBLN COc1cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000097958938 553859005 /nfs/dbraw/zinc/85/90/05/553859005.db2.gz MITDRGWNKLFDKZ-JAIQZWGSSA-N 0 2 593.377 5.566 40 30 KKEBLN CC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1)c1ccc(OC(F)F)cc1 ZINC000033685404 553967776 /nfs/dbraw/zinc/96/77/76/553967776.db2.gz ZRQREPVGJXZRIP-MXAYSNPKSA-N 0 2 510.906 5.487 40 30 KKEBLN COc1ccccc1NS(=O)(=O)c1ccc(N=NC(C)c2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000097980709 553990633 /nfs/dbraw/zinc/99/06/33/553990633.db2.gz FSZZFRRDMHNUFF-UCQKPKSFSA-N 0 2 519.377 5.003 40 30 KKEBLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC(C)c2cccc(Br)c2)cc1 ZINC000097980717 553990683 /nfs/dbraw/zinc/99/06/83/553990683.db2.gz CYVYRMWNCCOBBJ-UCQKPKSFSA-N 0 2 519.377 5.003 40 30 KKEBLN CC(/C=N/N=C1\SC(CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccco1)=C\c1ccccc1 ZINC000097981098 553991975 /nfs/dbraw/zinc/99/19/75/553991975.db2.gz ORPZPAHWSLOEKX-ZDSLEFGRSA-N 0 2 540.567 6.217 40 30 KKEBLN Cc1ccc(C)c(/N=C2/SC(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2Cc2ccco2)c1 ZINC000097982012 553998780 /nfs/dbraw/zinc/99/87/80/553998780.db2.gz BHHVOLLTHVUNSL-BMXSWSLJSA-N 0 2 536.868 7.017 40 30 KKEBLN Cc1ccc(C)c(/N=C2/S[C@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2Cc2ccco2)c1 ZINC000097982012 553998787 /nfs/dbraw/zinc/99/87/87/553998787.db2.gz BHHVOLLTHVUNSL-BMXSWSLJSA-N 0 2 536.868 7.017 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N/c3ccccc3)N(Cc3ccccc3Cl)C2=O)c([N+](=O)[O-])c1 ZINC000097982018 553998805 /nfs/dbraw/zinc/99/88/05/553998805.db2.gz NNSSFPQGSWQGIX-GOTSBPSXSA-N 0 2 524.986 5.417 40 30 KKEBLN COc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccccc3)N(Cc3ccccc3Cl)C2=O)c([N+](=O)[O-])c1 ZINC000097982018 553998810 /nfs/dbraw/zinc/99/88/10/553998810.db2.gz NNSSFPQGSWQGIX-GOTSBPSXSA-N 0 2 524.986 5.417 40 30 KKEBLN Cc1ccc(/N=C2/SC(CC(=O)Nc3cccc4ccccc43)C(=O)N2Cc2ccc3c(c2)OCO3)c(C)c1 ZINC000097982003 553998843 /nfs/dbraw/zinc/99/88/43/553998843.db2.gz SMVGXXHBNGQGDX-RGTMHUHBSA-N 0 2 537.641 6.346 40 30 KKEBLN Cc1ccc(/N=C2/S[C@H](CC(=O)Nc3cccc4ccccc43)C(=O)N2Cc2ccc3c(c2)OCO3)c(C)c1 ZINC000097982003 553998847 /nfs/dbraw/zinc/99/88/47/553998847.db2.gz SMVGXXHBNGQGDX-RGTMHUHBSA-N 0 2 537.641 6.346 40 30 KKEBLN O=C(CC1S/C(=N/c2ccc(OC(F)F)cc2)N(C2CCCC2)C1=O)Nc1ccccc1C(F)(F)F ZINC000097982042 553999191 /nfs/dbraw/zinc/99/91/91/553999191.db2.gz QEDNDSRRZNDSDS-CMQDVFKRSA-N 0 2 527.515 6.210 40 30 KKEBLN O=C(C[C@H]1S/C(=N/c2ccc(OC(F)F)cc2)N(C2CCCC2)C1=O)Nc1ccccc1C(F)(F)F ZINC000097982042 553999194 /nfs/dbraw/zinc/99/91/94/553999194.db2.gz QEDNDSRRZNDSDS-CMQDVFKRSA-N 0 2 527.515 6.210 40 30 KKEBLN Cc1cc(C)cc(/N=C2/SC(CC(=O)Nc3ccc(I)cc3)C(=O)N2C2CCCC2)c1 ZINC000097982027 553999238 /nfs/dbraw/zinc/99/92/38/553999238.db2.gz PUONHWYGYMEQJM-RTGZZVAKSA-N 0 2 547.462 5.811 40 30 KKEBLN Cc1cc(C)cc(/N=C2/S[C@H](CC(=O)Nc3ccc(I)cc3)C(=O)N2C2CCCC2)c1 ZINC000097982027 553999242 /nfs/dbraw/zinc/99/92/42/553999242.db2.gz PUONHWYGYMEQJM-RTGZZVAKSA-N 0 2 547.462 5.811 40 30 KKEBLN O=C(/N=C1\N=C2C=CC(Br)=CN2Cc2ccccc21)c1ccccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000097984218 554015054 /nfs/dbraw/zinc/01/50/54/554015054.db2.gz MMECIRZFAFFKGW-JVCXMKTPSA-N 0 2 626.876 5.656 40 30 KKEBLN C[C@@H](O[C@H]1CCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000100022593 554182219 /nfs/dbraw/zinc/18/22/19/554182219.db2.gz GLJSXTIFQNHMIV-XFPJRNFQSA-N 0 2 532.460 5.758 40 30 KKEBLN C=CCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br ZINC000100397094 554370851 /nfs/dbraw/zinc/37/08/51/554370851.db2.gz JMYCDZIEFZZVQS-ZSOIEALJSA-N 0 2 540.595 5.096 40 30 KKEBLN N#Cc1ccccc1COc1ccc2ccccc2c1C=C1C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O ZINC000059105180 554380285 /nfs/dbraw/zinc/38/02/85/554380285.db2.gz JMQCYBSJNRAGAC-ZVHZXABRSA-N 0 2 517.497 5.526 40 30 KKEBLN C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000059135541 554381545 /nfs/dbraw/zinc/38/15/45/554381545.db2.gz BWELXZVLDDYASU-OVVQPSECSA-N 0 2 506.533 6.157 40 30 KKEBLN C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1cccc(F)c1 ZINC000059135580 554381651 /nfs/dbraw/zinc/38/16/51/554381651.db2.gz FNSHEVILUDNRDO-OEAKJJBVSA-N 0 2 504.489 5.152 40 30 KKEBLN N#Cc1ccccc1COc1ccccc1C=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000059198281 554384615 /nfs/dbraw/zinc/38/46/15/554384615.db2.gz OPUQPIMNFOEXKM-FYJGNVAPSA-N 0 2 502.324 5.406 40 30 KKEBLN C=C(C)C(=O)OC(COc1ccc(C(=O)c2ccccc2)c(O)c1)COc1ccc(C(=O)c2ccccc2)c(O)c1 ZINC000059307005 554388095 /nfs/dbraw/zinc/38/80/95/554388095.db2.gz RXULRQCENNCUGC-UHFFFAOYSA-N 0 2 552.579 5.506 40 30 KKEBLN Oc1c(Br)cc(/C=N/c2ccc3nc(SC(c4ccccc4)c4ccccc4)sc3c2)cc1Br ZINC000100454736 554395616 /nfs/dbraw/zinc/39/56/16/554395616.db2.gz ISBGVXPRYYYUDZ-OKCVXOCRSA-N 0 2 610.396 9.159 40 30 KKEBLN O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc3nc(S[C@@H](c4ccccc4)c4ccc(Cl)cc4)sc3c2)c1 ZINC000100457369 554396660 /nfs/dbraw/zinc/39/66/60/554396660.db2.gz WCFYZDHVWHMYFU-SJHQEIOHSA-N 0 2 532.046 8.196 40 30 KKEBLN O=C(CSc1nc2ccc(/N=C/c3ccc(O)c([N+](=O)[O-])c3)cc2s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000059474809 554396727 /nfs/dbraw/zinc/39/67/27/554396727.db2.gz SFWJNDIRKFJFAG-FOKLQQMPSA-N 0 2 509.525 5.300 40 30 KKEBLN Cc1ccc(NC(=O)CSc2nc3ccc(/N=C/c4cc([N+](=O)[O-])ccc4O)cc3s2)cc1Cl ZINC000059483457 554397342 /nfs/dbraw/zinc/39/73/42/554397342.db2.gz BCGMGLKBSYUFMY-OPEKNORGSA-N 0 2 513.000 6.353 40 30 KKEBLN COc1cc(C=NN=C2NC(=O)C(CC(=O)Nc3ccc(Br)cc3)S2)ccc1OCc1ccccc1 ZINC000100956225 554539653 /nfs/dbraw/zinc/53/96/53/554539653.db2.gz DNSUYWSEUMXQNU-JSPCPOQUSA-N 0 2 567.465 5.827 40 30 KKEBLN COc1cc(C=NN=C2NC(=O)[C@@H](CC(=O)Nc3ccc(Br)cc3)S2)ccc1OCc1ccccc1 ZINC000100956225 554539655 /nfs/dbraw/zinc/53/96/55/554539655.db2.gz DNSUYWSEUMXQNU-JSPCPOQUSA-N 0 2 567.465 5.827 40 30 KKEBLN CCc1ccc(S(=O)(=O)/N=C2/S[C@@H](CC(=O)Nc3ccc(Cl)cc3)C(=O)N2c2ccccc2)cc1 ZINC000100973068 554544947 /nfs/dbraw/zinc/54/49/47/554544947.db2.gz DSGQNEKYYDCMCJ-FPCFPJRVSA-N 0 2 528.055 5.125 40 30 KKEBLN O=C(CC1S/C(=N/S(=O)(=O)c2ccc(Cl)s2)N(C2CCCCC2)C1=O)Nc1ccc(Cl)cc1 ZINC000101043106 554568198 /nfs/dbraw/zinc/56/81/98/554568198.db2.gz BKLAJKNLIKXVMD-VRCPTZKISA-N 0 2 546.523 5.405 40 30 KKEBLN Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/C[C@@H](C)/N=C/c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000101580724 554799857 /nfs/dbraw/zinc/79/98/57/554799857.db2.gz QDCATSRHVPHZFQ-LSKCBABVSA-N 0 2 588.755 5.832 40 30 KKEBLN CCOc1cccc(NC(=O)CC2S/C(=N/c3ccc(OC)cc3)N(Cc3ccccc3Cl)C2=O)c1 ZINC000102406046 554920821 /nfs/dbraw/zinc/92/08/21/554920821.db2.gz RMBFRYBUEFTVRA-IHMZUKPYSA-N 0 2 524.042 5.908 40 30 KKEBLN CCOc1cccc(NC(=O)C[C@H]2S/C(=N/c3ccc(OC)cc3)N(Cc3ccccc3Cl)C2=O)c1 ZINC000102406046 554920824 /nfs/dbraw/zinc/92/08/24/554920824.db2.gz RMBFRYBUEFTVRA-IHMZUKPYSA-N 0 2 524.042 5.908 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3ccccc3Cl)C(=O)N2Cc2ccccc2Cl)cc1 ZINC000102406032 554920908 /nfs/dbraw/zinc/92/09/08/554920908.db2.gz DJDFPAHUJNWYJG-JVEWKGNHSA-N 0 2 556.471 6.331 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@H](CC(=O)Nc3ccccc3Cl)C(=O)N2Cc2ccccc2Cl)cc1 ZINC000102406032 554920909 /nfs/dbraw/zinc/92/09/09/554920909.db2.gz DJDFPAHUJNWYJG-JVEWKGNHSA-N 0 2 556.471 6.331 40 30 KKEBLN O=C(CC1S/C(=N\c2ccc(C(F)(F)F)cc2)N(Cc2ccccc2)C1=O)Nc1ccc(I)cc1 ZINC000102406287 554921093 /nfs/dbraw/zinc/92/10/93/554921093.db2.gz QSFSGXZVIZWSAG-LCOYAIQXSA-N 0 2 609.411 6.471 40 30 KKEBLN O=C(C[C@H]1S/C(=N\c2ccc(C(F)(F)F)cc2)N(Cc2ccccc2)C1=O)Nc1ccc(I)cc1 ZINC000102406287 554921095 /nfs/dbraw/zinc/92/10/95/554921095.db2.gz QSFSGXZVIZWSAG-LCOYAIQXSA-N 0 2 609.411 6.471 40 30 KKEBLN CCOc1ccc(/N=C2\SC(CC(=O)Nc3ccc(OCC)cc3)C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000102406344 554921097 /nfs/dbraw/zinc/92/10/97/554921097.db2.gz QGEDIPWSGITCPK-NFMXCSJRSA-N 0 2 547.633 5.373 40 30 KKEBLN CCOc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(OCC)cc3)C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000102406344 554921100 /nfs/dbraw/zinc/92/11/00/554921100.db2.gz QGEDIPWSGITCPK-NFMXCSJRSA-N 0 2 547.633 5.373 40 30 KKEBLN CCOC(=O)c1ccc(NC(=O)CC2S/C(=N\c3ccc(OC(F)(F)Cl)cc3)N(CC)C2=O)cc1 ZINC000102406463 554921114 /nfs/dbraw/zinc/92/11/14/554921114.db2.gz ALCPJLTURJGOPX-VOPIUBJASA-N 0 2 525.961 5.011 40 30 KKEBLN CCOC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccc(OC(F)(F)Cl)cc3)N(CC)C2=O)cc1 ZINC000102406463 554921116 /nfs/dbraw/zinc/92/11/16/554921116.db2.gz ALCPJLTURJGOPX-VOPIUBJASA-N 0 2 525.961 5.011 40 30 KKEBLN CCOC(=O)c1ccc(NC(=O)CC2S/C(=N\c3ccc(OC(F)(F)Cl)cc3)N(CC)C2=O)cc1 ZINC000102406469 554921124 /nfs/dbraw/zinc/92/11/24/554921124.db2.gz ALCPJLTURJGOPX-NAEKRMDMSA-N 0 2 525.961 5.011 40 30 KKEBLN CCOC(=O)c1ccc(NC(=O)C[C@H]2S/C(=N\c3ccc(OC(F)(F)Cl)cc3)N(CC)C2=O)cc1 ZINC000102406469 554921126 /nfs/dbraw/zinc/92/11/26/554921126.db2.gz ALCPJLTURJGOPX-NAEKRMDMSA-N 0 2 525.961 5.011 40 30 KKEBLN CCOC(=O)c1ccc(NC(=O)CC2S/C(=N\c3ccc(OC(F)(F)Cl)cc3)N(Cc3ccccc3)C2=O)cc1 ZINC000102408167 554922558 /nfs/dbraw/zinc/92/25/58/554922558.db2.gz AJZNKAVPJSYNMD-SXKCLOSDSA-N 0 2 588.032 6.192 40 30 KKEBLN CCOC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccc(OC(F)(F)Cl)cc3)N(Cc3ccccc3)C2=O)cc1 ZINC000102408167 554922559 /nfs/dbraw/zinc/92/25/59/554922559.db2.gz AJZNKAVPJSYNMD-SXKCLOSDSA-N 0 2 588.032 6.192 40 30 KKEBLN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(Cl)cc2)cc1F ZINC000102454094 554933694 /nfs/dbraw/zinc/93/36/94/554933694.db2.gz ZTJSFCKCBAZFRG-SANMLTNESA-N 0 2 618.111 7.568 40 30 KKEBLN Cc1c(Cl)cccc1NC(=O)CC1S/C(=N\N=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)NC1=O ZINC000102923306 555147800 /nfs/dbraw/zinc/14/78/00/555147800.db2.gz UKHXUISTGUNJMC-BABAGQBZSA-N 0 2 583.073 6.198 40 30 KKEBLN Cc1c(Cl)cccc1NC(=O)C[C@H]1S/C(=N\N=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)NC1=O ZINC000102923306 555147804 /nfs/dbraw/zinc/14/78/04/555147804.db2.gz UKHXUISTGUNJMC-BABAGQBZSA-N 0 2 583.073 6.198 40 30 KKEBLN Cc1ccc(NC(=O)CC2S/C(=N\N=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)NC2=O)c(C)c1 ZINC000102923770 555148205 /nfs/dbraw/zinc/14/82/05/555148205.db2.gz PZDXNNNMKNNRAX-YGFNIOOWSA-N 0 2 525.974 5.075 40 30 KKEBLN Cc1ccc(NC(=O)C[C@@H]2S/C(=N\N=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)NC2=O)c(C)c1 ZINC000102923770 555148207 /nfs/dbraw/zinc/14/82/07/555148207.db2.gz PZDXNNNMKNNRAX-YGFNIOOWSA-N 0 2 525.974 5.075 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N\c3cccc4ccccc43)N(CCC3=CCCCC3)C2=O)cc1OC ZINC000102961293 555176778 /nfs/dbraw/zinc/17/67/78/555176778.db2.gz YKIUHBUGRIRVSI-MLOWHTBOSA-N 0 2 543.689 6.708 40 30 KKEBLN COc1ccc(NC(=O)C[C@@H]2S/C(=N\c3cccc4ccccc43)N(CCC3=CCCCC3)C2=O)cc1OC ZINC000102961293 555176780 /nfs/dbraw/zinc/17/67/80/555176780.db2.gz YKIUHBUGRIRVSI-MLOWHTBOSA-N 0 2 543.689 6.708 40 30 KKEBLN CCOc1ccc(/N=C2\SC(CC(=O)Nc3ccc(Oc4ccccc4)cc3)C(=O)N2Cc2ccccc2)cc1 ZINC000102961564 555177311 /nfs/dbraw/zinc/17/73/11/555177311.db2.gz MRKKSYIYDSWOPR-MWXLYHPQSA-N 0 2 551.668 7.038 40 30 KKEBLN CCOc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(Oc4ccccc4)cc3)C(=O)N2Cc2ccccc2)cc1 ZINC000102961564 555177314 /nfs/dbraw/zinc/17/73/14/555177314.db2.gz MRKKSYIYDSWOPR-MWXLYHPQSA-N 0 2 551.668 7.038 40 30 KKEBLN COc1cc([N+](=O)[O-])ccc1NC(=O)CC1S/C(=N\c2ccc(OC(F)F)cc2)N(C2CCCC2)C1=O ZINC000102961926 555178098 /nfs/dbraw/zinc/17/80/98/555178098.db2.gz HYRVYJRQIPPWDU-VUFATCQFSA-N 0 2 534.541 5.108 40 30 KKEBLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H]1S/C(=N\c2ccc(OC(F)F)cc2)N(C2CCCC2)C1=O ZINC000102961926 555178100 /nfs/dbraw/zinc/17/81/00/555178100.db2.gz HYRVYJRQIPPWDU-VUFATCQFSA-N 0 2 534.541 5.108 40 30 KKEBLN Cc1ccc(/N=C2/SC(CC(=O)Nc3ccc(Br)cc3)C(=O)N2C2CCCC2)cc1Cl ZINC000102962086 555178322 /nfs/dbraw/zinc/17/83/22/555178322.db2.gz KFWUDTUCLJLLHF-NUIVBQGBSA-N 0 2 520.880 6.314 40 30 KKEBLN Cc1ccc(/N=C2/S[C@H](CC(=O)Nc3ccc(Br)cc3)C(=O)N2C2CCCC2)cc1Cl ZINC000102962086 555178326 /nfs/dbraw/zinc/17/83/26/555178326.db2.gz KFWUDTUCLJLLHF-NUIVBQGBSA-N 0 2 520.880 6.314 40 30 KKEBLN COc1ccccc1NS(=O)(=O)c1ccc(N=NCc2c3ccccc3c(Cl)c3ccccc32)c([N+](=O)[O-])c1 ZINC000102966078 555180158 /nfs/dbraw/zinc/18/01/58/555180158.db2.gz GUTUDXTVEKYVCG-OCSSWDANSA-N 0 2 561.019 6.810 40 30 KKEBLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1N=NC1CCSc2ccc(F)cc21 ZINC000102983667 555189434 /nfs/dbraw/zinc/18/94/34/555189434.db2.gz AJWUCGREFUXRHE-MOHJPFBDSA-N 0 2 506.968 5.500 40 30 KKEBLN CC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000102984328 555190226 /nfs/dbraw/zinc/19/02/26/555190226.db2.gz UEXANLCMHOTNNY-YDZHTSKRSA-N 0 2 523.796 5.648 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000103842139 571362438 /nfs/dbraw/zinc/36/24/38/571362438.db2.gz SSZFQQDQAKUDON-DPNNOFEESA-N 0 2 634.748 7.666 40 30 KKEBLN CCc1ccc(N=C2SC(=Cc3c(O)n(-c4ccc(Cl)cc4)c(=S)[nH]c3=O)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000103846379 571363454 /nfs/dbraw/zinc/36/34/54/571363454.db2.gz NQPHRMMYWFEWQY-KDEGBSSESA-N 0 2 589.142 6.180 40 30 KKEBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000103850108 571364497 /nfs/dbraw/zinc/36/44/97/571364497.db2.gz HYLIJSOEHQDDIZ-LQKURTRISA-N 0 2 534.547 5.350 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1ccc2ccccc2c1 ZINC000103850735 571364601 /nfs/dbraw/zinc/36/46/01/571364601.db2.gz YYEVEQNZELKANG-WPWMEQJKSA-N 0 2 536.559 5.961 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000103850587 571364649 /nfs/dbraw/zinc/36/46/49/571364649.db2.gz JVEOWEGWSCMLIW-HZHRSRAPSA-N 0 2 582.369 5.404 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000103850575 571364656 /nfs/dbraw/zinc/36/46/56/571364656.db2.gz OSXPOAGSABAYDL-FYJGNVAPSA-N 0 2 525.363 6.106 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000103850783 571364874 /nfs/dbraw/zinc/36/48/74/571364874.db2.gz RPUYNWFYDZHFTR-BUVRLJJBSA-N 0 2 545.523 5.107 40 30 KKEBLN C=CCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br ZINC000103858144 571366462 /nfs/dbraw/zinc/36/64/62/571366462.db2.gz OZCFYHGUEIXYRA-ZSOIEALJSA-N 0 2 585.046 5.205 40 30 KKEBLN N#Cc1ccccc1COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl ZINC000103858604 571366800 /nfs/dbraw/zinc/36/68/00/571366800.db2.gz DKLGLZURPQBKNW-DJKKODMXSA-N 0 2 571.214 5.873 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OCc1ccc2ccccc2c1 ZINC000103859504 571367039 /nfs/dbraw/zinc/36/70/39/571367039.db2.gz QHCNWJXPFSXLGV-WPWMEQJKSA-N 0 2 597.465 6.585 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000103859477 571367134 /nfs/dbraw/zinc/36/71/34/571367134.db2.gz BOEGAHVXKWOGIZ-BUVRLJJBSA-N 0 2 561.432 5.740 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000103859516 571367200 /nfs/dbraw/zinc/36/72/00/571367200.db2.gz XDUCIVJOHSWGMT-HZHRSRAPSA-N 0 2 595.877 6.475 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000103859521 571367282 /nfs/dbraw/zinc/36/72/82/571367282.db2.gz VIMVBJSLISKHAX-HZHRSRAPSA-N 0 2 579.422 5.961 40 30 KKEBLN N#Cc1ccccc1COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1Br ZINC000103859845 571367284 /nfs/dbraw/zinc/36/72/84/571367284.db2.gz WXBBFWFQJKLECZ-KEBDBYFISA-N 0 2 581.220 5.329 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000103859539 571367298 /nfs/dbraw/zinc/36/72/98/571367298.db2.gz KGMLTGNTPLQLCB-BUVRLJJBSA-N 0 2 606.429 5.730 40 30 KKEBLN Cc1ccc(NC(=O)CC2S/C(=N/c3ccc(SC(F)F)cc3)N(C[C@H]3CCCO3)C2=O)c(C)c1 ZINC000105525347 571407289 /nfs/dbraw/zinc/40/72/89/571407289.db2.gz RPYHGHVDBXQOJF-YDFRDPLASA-N 0 2 519.639 5.757 40 30 KKEBLN Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(SC(F)F)cc3)N(C[C@H]3CCCO3)C2=O)c(C)c1 ZINC000105525347 571407291 /nfs/dbraw/zinc/40/72/91/571407291.db2.gz RPYHGHVDBXQOJF-YDFRDPLASA-N 0 2 519.639 5.757 40 30 KKEBLN O=[N+]([O-])c1cc(Cc2ccccc2Cl)cc(/C=N/c2c(Br)cc(O)cc2Br)c1O ZINC000106000465 571410110 /nfs/dbraw/zinc/41/01/10/571410110.db2.gz PTGNULNFJBJXIE-YSURURNPSA-N 0 2 540.595 6.526 40 30 KKEBLN O=C1c2ccccc2C(=O)N1c1ccc(/N=C/c2cc(Cc3ccccc3Cl)cc([N+](=O)[O-])c2O)c(Cl)c1 ZINC000106017424 571410489 /nfs/dbraw/zinc/41/04/89/571410489.db2.gz IWFOJINPPACMFS-IBBHUPRXSA-N 0 2 546.366 6.749 40 30 KKEBLN O=S(=O)(N=C(Nc1c(Br)c(Br)c(O)c(Br)c1Br)c1ccccc1)c1ccccc1 ZINC000150405426 571479362 /nfs/dbraw/zinc/47/93/62/571479362.db2.gz DCSYLRAAPWCKIZ-UHFFFAOYSA-N 0 2 667.999 6.690 40 30 KKEBLN COc1ccc(C(=O)/C=C\c2ccc(OCCCCCCCCCCOc3ccc(/C=C\C(=O)c4ccc(OC)c(OC)c4)cc3)cc2)c(OC)c1 ZINC000150441051 571498210 /nfs/dbraw/zinc/49/82/10/571498210.db2.gz VDLPOXWIQQDDGZ-HXNKFHKOSA-N 0 2 706.876 10.092 40 30 KKEBLN COc1ccc(C(=O)/C=C\c2ccc(OCCSCCCCCCCCCCSCCOc3ccc(/C=C\C(=O)c4ccc(OC)c(OC)c4)cc3)cc2)cc1OC ZINC000150441067 571498222 /nfs/dbraw/zinc/49/82/22/571498222.db2.gz CKRPKOUXYJQIJF-MFYXSQMNSA-N 0 2 827.118 11.558 40 30 KKEBLN Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1sc2c(c1C(=O)ONc1ccc(C)cc1)CCCC2 ZINC000150471016 571509532 /nfs/dbraw/zinc/50/95/32/571509532.db2.gz FGSJGDFNDFXLBN-MYYYXRDXSA-N 0 2 638.702 5.922 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1OCc1ccc(I)cc1 ZINC000164472194 571548572 /nfs/dbraw/zinc/54/85/72/571548572.db2.gz OXAWXHICTHHIDB-BUVRLJJBSA-N 0 2 687.328 6.426 40 30 KKEBLN CCCCCCCCCCCCCCCCCc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(c2c(C)[nH]n(-c3ccccc3)c2=O)C(=O)N(c2ccccc2)N=C1C ZINC000221965099 571604547 /nfs/dbraw/zinc/60/45/47/571604547.db2.gz AQPRQSHMCOYYFU-NGKHCYMSSA-N 0 2 743.009 10.715 40 30 KKEBLN O=C1/C(=C/c2cc(Br)c(O)c(Br)c2)S/C(=N\c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000408528477 572164649 /nfs/dbraw/zinc/16/46/49/572164649.db2.gz FEUSUAUMRNKDIS-PMCGIYOFSA-N 0 2 599.131 8.033 40 30 KKEBLN Cc1ccc(N=Nc2ccc(NC=C3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2)cc1 ZINC000408531946 572178051 /nfs/dbraw/zinc/17/80/51/572178051.db2.gz HPSONBCLHGNCTQ-DPKWMRNTSA-N 0 2 504.344 5.774 40 30 KKEBLN Cc1ccc(N=Nc2ccc(NC=C3C(=O)NC(=O)N(c4ccc(I)cc4)C3=O)cc2)cc1 ZINC000408535335 572188193 /nfs/dbraw/zinc/18/81/93/572188193.db2.gz NQHWWOUBWNTEKP-DPKWMRNTSA-N 0 2 551.344 5.617 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1OCC ZINC000408536851 572192828 /nfs/dbraw/zinc/19/28/28/572192828.db2.gz BJPBKFSXBWUYJW-HAVVHWLPSA-N 0 2 587.511 6.652 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Br ZINC000408537205 572193859 /nfs/dbraw/zinc/19/38/59/572193859.db2.gz CUQPSWSKYDMLPG-STZFKDTASA-N 0 2 606.355 7.234 40 30 KKEBLN CCCCCCCCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000408537394 572194264 /nfs/dbraw/zinc/19/42/64/572194264.db2.gz DLYKLYRCYXVLTI-HFTWOUSFSA-N 0 2 561.078 7.325 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC ZINC000408537836 572196218 /nfs/dbraw/zinc/19/62/18/572196218.db2.gz HLTJNQMFLFDFTC-RCCKNPSSSA-N 0 2 622.354 7.016 40 30 KKEBLN CCCCCCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OC ZINC000408537951 572196490 /nfs/dbraw/zinc/19/64/90/572196490.db2.gz ILPUPXDHZYUIEL-HFTWOUSFSA-N 0 2 556.659 6.680 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000408538185 572196925 /nfs/dbraw/zinc/19/69/25/572196925.db2.gz KACKWIFANDVQOE-XSFVSMFZSA-N 0 2 563.876 6.517 40 30 KKEBLN CCCCCCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC ZINC000408538393 572198039 /nfs/dbraw/zinc/19/80/39/572198039.db2.gz MENDDBGMGCPHTN-XLNRJJMWSA-N 0 2 509.559 5.399 40 30 KKEBLN CCCCCCCCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000408538767 572199482 /nfs/dbraw/zinc/19/94/82/572199482.db2.gz QMPNQTDASBNNEJ-RGEXLXHISA-N 0 2 568.295 7.162 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC ZINC000408539059 572200547 /nfs/dbraw/zinc/20/05/47/572200547.db2.gz FAKIAHCPOAGZBT-KGENOOAVSA-N 0 2 533.452 6.798 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1Br ZINC000408539650 572202788 /nfs/dbraw/zinc/20/27/88/572202788.db2.gz XVYZVDSIQQCKDZ-ZHZULCJRSA-N 0 2 636.337 6.404 40 30 KKEBLN CCCCCCCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OCC ZINC000408539599 572202940 /nfs/dbraw/zinc/20/29/40/572202940.db2.gz ILEFNJAFVZAETF-CJLVFECKSA-N 0 2 513.034 6.453 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OC ZINC000408540116 572204561 /nfs/dbraw/zinc/20/45/61/572204561.db2.gz NGRSDUPUQUSMJL-HKWRFOASSA-N 0 2 529.431 5.863 40 30 KKEBLN CCCCCCCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cc(Cl)ccc2C)C1=O ZINC000408540721 572206608 /nfs/dbraw/zinc/20/66/08/572206608.db2.gz VKYHPFUETPXAIL-RCCKNPSSSA-N 0 2 547.877 6.817 40 30 KKEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc4c5c(c3)[C@@H](c3ccccc3)CCN5CC[C@@H]4c3ccccc3)C2=O)cc1OCC ZINC000408826190 1069744209 /nfs/dbraw/zinc/74/42/09/1069744209.db2.gz BSYFINGJVXWKMA-AVXPXCAYSA-N 0 2 639.752 7.194 40 30 KKEBLN CCN1C(=O)/C(=C\c2cc(Br)c(O)c(Br)c2)S/C1=N\c1ccc(C(=O)OC)cc1 ZINC000408909990 1069753493 /nfs/dbraw/zinc/75/34/93/1069753493.db2.gz VMSPKQWKWYMQBB-XFNLHSONSA-N 0 2 540.233 5.328 40 30 KKEBLN Cc1cc(N=C2NC(=O)/C(=C/c3cc(Cl)c(O)c(Br)c3)S2)cc(C)c1Br ZINC000408758604 1069851198 /nfs/dbraw/zinc/85/11/98/1069851198.db2.gz NOEAMBLUSHGYEO-AUWJEWJLSA-N 0 2 516.642 6.079 40 30 KKEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1Cl ZINC000408761050 1069853594 /nfs/dbraw/zinc/85/35/94/1069853594.db2.gz GYPLWVJMEXLPEP-RIYZIHGNSA-N 0 2 510.171 5.296 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408771528 1069871503 /nfs/dbraw/zinc/87/15/03/1069871503.db2.gz ISQASSJUQSVVQP-MFKUBSTISA-N 0 2 559.460 6.348 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408773228 1069886350 /nfs/dbraw/zinc/88/63/50/1069886350.db2.gz JMIDKJPICROUFO-MFKUBSTISA-N 0 2 541.560 5.194 40 30 KKEBLN C=CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cc4c5c(c3)[C@H](c3ccccc3)CCN5CC[C@H]4c3ccccc3)C2=O)cc1OCC ZINC000408827495 1070007086 /nfs/dbraw/zinc/00/70/86/1070007086.db2.gz DCOOKPUYPFEAHB-IVOPWSSRSA-N 0 2 765.648 7.799 40 30 KKEBLN C#CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O ZINC000408832868 1070024619 /nfs/dbraw/zinc/02/46/19/1070024619.db2.gz SCLKJBUMKQNLRW-YDZHTSKRSA-N 0 2 551.382 5.259 40 30 KKEBLN O=C1/C(=C/c2cc(Br)c(O)c(Br)c2)S/C(=N\c2ccccc2)N1Cc1ccco1 ZINC000408917627 1070208777 /nfs/dbraw/zinc/20/87/77/1070208777.db2.gz YPUHMGWGHAGQBL-VJNSTGJUSA-N 0 2 534.229 6.314 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000408914812 1070214900 /nfs/dbraw/zinc/21/49/00/1070214900.db2.gz ZBGQNSMLTDVIBW-MFKUBSTISA-N 0 2 514.553 5.507 40 30 KKEBLN C=CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)c1 ZINC000408942330 1070302504 /nfs/dbraw/zinc/30/25/04/1070302504.db2.gz ZDSRGZUOUCYXBN-UCQKPKSFSA-N 0 2 523.372 5.804 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000408982108 1070339649 /nfs/dbraw/zinc/33/96/49/1070339649.db2.gz FULRUCXZIGTJLH-BRPDVVIDSA-N 0 2 516.597 6.376 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1ccccc1C#N ZINC000408990527 1070355983 /nfs/dbraw/zinc/35/59/83/1070355983.db2.gz NRTVSEULNWORQR-PKAZHMFMSA-N 0 2 535.600 5.493 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408994742 1070370982 /nfs/dbraw/zinc/37/09/82/1070370982.db2.gz ZZWHBKGIOPIYIW-QRVIBDJDSA-N 0 2 561.978 5.539 40 30 KKEBLN CCCN1C2=C(C(=O)CCC2)C(c2cc(Br)c(O)c(Br)c2)C2=C1CCCC2=O ZINC000409031290 1070416013 /nfs/dbraw/zinc/41/60/13/1070416013.db2.gz AIQVEBYPONCDDR-UHFFFAOYSA-N 0 2 509.238 5.741 40 30 KKEBLN COc1ccc(Br)c2c1-c1nc(/N=C/c3ccc(OCc4ccccc4Cl)cc3)sc1C2 ZINC000409044578 1070451771 /nfs/dbraw/zinc/45/17/71/1070451771.db2.gz VZPPNKANZSMPFG-XODNFHPESA-N 0 2 525.855 7.468 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000409070161 1070495635 /nfs/dbraw/zinc/49/56/35/1070495635.db2.gz NDYCEZGRXWQVSI-BUVRLJJBSA-N 0 2 516.981 5.713 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409070578 1070495726 /nfs/dbraw/zinc/49/57/26/1070495726.db2.gz ZSEFPLIYOBBPGQ-OEAKJJBVSA-N 0 2 518.953 5.028 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409073132 1070499601 /nfs/dbraw/zinc/49/96/01/1070499601.db2.gz VEPBBWVXKHSDPH-UDWIEESQSA-N 0 2 571.844 6.629 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409079032 1070514601 /nfs/dbraw/zinc/51/46/01/1070514601.db2.gz KHLSGQPZMQPATB-XDHOZWIPSA-N 0 2 592.948 5.661 40 30 KKEBLN O=C1/C(=C\c2cc(Br)c(O)c(Br)c2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 ZINC000409088789 1070522757 /nfs/dbraw/zinc/52/27/57/1070522757.db2.gz YEFHLGNBWUUNPL-CIFGJUBISA-N 0 2 558.295 6.590 40 30 KKEBLN CCc1nnc(C2=C(O)C(=Cc3ccc(OCC(=O)Nc4ccccc4Cl)c(OC)c3)SC2=N)s1 ZINC000409336957 1070857983 /nfs/dbraw/zinc/85/79/83/1070857983.db2.gz RMVMCVBYLSUQDY-CKRRQIFKSA-N 0 2 529.043 5.198 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000408899939 1070939440 /nfs/dbraw/zinc/93/94/40/1070939440.db2.gz QNRCZOGDUXSBKT-BUVRLJJBSA-N 0 2 595.877 6.475 40 30 KKEBLN C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2cc(Br)c(O)c(Br)c2)S/C1=N\c1ccccc1 ZINC000408907847 1070987848 /nfs/dbraw/zinc/98/78/48/1070987848.db2.gz PGJKHWWXTOQRFR-HEWDXIBNSA-N 0 2 558.295 7.282 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000408912022 1071058907 /nfs/dbraw/zinc/05/89/07/1071058907.db2.gz PNCXJFSSAZKHJW-OGLMXYFKSA-N 0 2 550.586 6.352 40 30 KKEBLN C#CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408955141 1071386760 /nfs/dbraw/zinc/38/67/60/1071386760.db2.gz SSEWCOATOCNFKY-STBIYBPSSA-N 0 2 530.624 5.986 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000408953961 1071393474 /nfs/dbraw/zinc/39/34/74/1071393474.db2.gz QRNBBYHJDXTTNR-WSDLNYQXSA-N 0 2 546.963 5.051 40 30 KKEBLN COc1ccc(N=C2S/C(=C\c3cccn3-c3ccc([NH+](C)C)cc3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000408960031 1071435190 /nfs/dbraw/zinc/43/51/90/1071435190.db2.gz IEMLCMWTLFWJGY-MRYWEKRUSA-N 0 2 552.656 6.054 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OCc1ccccc1F ZINC000408985190 1071501876 /nfs/dbraw/zinc/50/18/76/1071501876.db2.gz ADPHQUSPERMNID-XKZIYDEJSA-N 0 2 534.971 5.770 40 30 KKEBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCc4ccccc4C#N)c(Br)c3)C2=O)cc1Cl ZINC000408984058 1071512609 /nfs/dbraw/zinc/51/26/09/1071512609.db2.gz HVWXIUWBUMPNEF-UWVJOHFNSA-N 0 2 629.692 6.291 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000408983038 1071521104 /nfs/dbraw/zinc/52/11/04/1071521104.db2.gz JTXKTSONDRHIGJ-UCQKPKSFSA-N 0 2 504.945 5.761 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408982988 1071521201 /nfs/dbraw/zinc/52/12/01/1071521201.db2.gz JJIOCNSTADXLGP-UQQQWYQISA-N 0 2 511.534 5.131 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408982972 1071523112 /nfs/dbraw/zinc/52/31/12/1071523112.db2.gz JGDFZYPGSTZVTF-UUYOSTAYSA-N 0 2 555.845 6.929 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408982301 1071527186 /nfs/dbraw/zinc/52/71/86/1071527186.db2.gz GJMLXPIOUFECTQ-XKZIYDEJSA-N 0 2 614.323 7.292 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000408981860 1071530790 /nfs/dbraw/zinc/53/07/90/1071530790.db2.gz CKDSLRFNGDZZJQ-ONUIUJJFSA-N 0 2 589.486 6.384 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1cccc(C)c1 ZINC000408981363 1071536408 /nfs/dbraw/zinc/53/64/08/1071536408.db2.gz AQSTVUOYZFMKOW-IWIPYMOSSA-N 0 2 500.982 5.931 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000408994326 1071559250 /nfs/dbraw/zinc/55/92/50/1071559250.db2.gz YLUVNBKJGSZEOV-OYKKKHCWSA-N 0 2 548.998 6.160 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1ccc(I)cc1 ZINC000408992911 1071568225 /nfs/dbraw/zinc/56/82/25/1071568225.db2.gz UYUQAPMUQROZMR-XYGWBWBKSA-N 0 2 622.459 5.836 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OCc1ccc2ccccc2c1 ZINC000408991568 1071581139 /nfs/dbraw/zinc/58/11/39/1071581139.db2.gz QLBVJTBFPPQKTI-YUMHPJSZSA-N 0 2 567.041 6.784 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408991211 1071583013 /nfs/dbraw/zinc/58/30/13/1071583013.db2.gz PRNBCPDLNQZHRM-OYKKKHCWSA-N 0 2 576.005 5.929 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408990982 1071585574 /nfs/dbraw/zinc/58/55/74/1071585574.db2.gz PGURJYLGDRMABR-UUYOSTAYSA-N 0 2 583.841 6.524 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000408989817 1071595207 /nfs/dbraw/zinc/59/52/07/1071595207.db2.gz VETRYMKEUMKRTP-XYGWBWBKSA-N 0 2 531.008 5.885 40 30 KKEBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000408988882 1071600532 /nfs/dbraw/zinc/60/05/32/1071600532.db2.gz RXQNEPUABPBPGJ-JAIQZWGSSA-N 0 2 519.026 5.534 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000408987630 1071612416 /nfs/dbraw/zinc/61/24/16/1071612416.db2.gz GBXCXRWZCIEVQH-UQQQWYQISA-N 0 2 528.580 5.761 40 30 KKEBLN C=CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OCC ZINC000408755608 1071643810 /nfs/dbraw/zinc/64/38/10/1071643810.db2.gz OWFGWFXLKRGCNB-MHWRWJLKSA-N 0 2 564.230 5.150 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000408752107 1071667276 /nfs/dbraw/zinc/66/72/76/1071667276.db2.gz BUIREKNNKZSUIH-OVVQPSECSA-N 0 2 581.466 6.885 40 30 KKEBLN C=CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)c(C)c4)C3=O)c2C)cc1 ZINC000408759276 1071702526 /nfs/dbraw/zinc/70/25/26/1071702526.db2.gz BEVDKEHFJFDYMX-HZHRSRAPSA-N 0 2 534.410 5.396 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408766211 1071720215 /nfs/dbraw/zinc/72/02/15/1071720215.db2.gz AEWGNYQXVHILHG-MFKUBSTISA-N 0 2 559.460 6.348 40 30 KKEBLN Cc1cc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccccc4C#N)c(I)c3)C2=O)ccc1Br ZINC000408762127 1071736868 /nfs/dbraw/zinc/73/68/68/1071736868.db2.gz CWKJRSNCVZKOCN-RGVLZGJSSA-N 0 2 642.247 5.479 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OC)c1OCc1ccc2ccccc2c1 ZINC000408762996 1071733753 /nfs/dbraw/zinc/73/37/53/1071733753.db2.gz GSDYMVSPZKBERJ-WPWMEQJKSA-N 0 2 611.492 6.893 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408776969 1071747513 /nfs/dbraw/zinc/74/75/13/1071747513.db2.gz TYJLOKLYVKVEPG-HZHRSRAPSA-N 0 2 551.824 6.076 40 30 KKEBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000408776404 1071749520 /nfs/dbraw/zinc/74/95/20/1071749520.db2.gz NUZNLRSVEUVWSX-FSJBWODESA-N 0 2 574.431 5.582 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000408775917 1071753099 /nfs/dbraw/zinc/75/30/99/1071753099.db2.gz WSDPPTCZOSREEH-MTDXEUNCSA-N 0 2 567.041 6.866 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408775415 1071755193 /nfs/dbraw/zinc/75/51/93/1071755193.db2.gz GOADIVZXXRKWEC-FYJGNVAPSA-N 0 2 586.269 6.730 40 30 KKEBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000408772339 1071773981 /nfs/dbraw/zinc/77/39/81/1071773981.db2.gz KSLULOFSYHXVCI-WSDLNYQXSA-N 0 2 515.953 5.164 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408770909 1071783810 /nfs/dbraw/zinc/78/38/10/1071783810.db2.gz CHOPGMOZZSHFQA-PCLIKHOPSA-N 0 2 592.433 5.882 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000408769641 1071792286 /nfs/dbraw/zinc/79/22/86/1071792286.db2.gz YBXGJRSIISBPDY-HZHRSRAPSA-N 0 2 516.981 5.631 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408768199 1071804047 /nfs/dbraw/zinc/80/40/47/1071804047.db2.gz UUGDDNHBMCJZND-LPYMAVHISA-N 0 2 596.821 5.985 40 30 KKEBLN C=CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br ZINC000409045630 1071838989 /nfs/dbraw/zinc/83/89/89/1071838989.db2.gz ZWYIUPLSQNHLPG-WUXMJOGZSA-N 0 2 575.040 5.750 40 30 KKEBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000408785601 1071855734 /nfs/dbraw/zinc/85/57/34/1071855734.db2.gz HYWKZIIZSOLWIM-SRZZPIQSSA-N 0 2 580.822 5.618 40 30 KKEBLN CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)c(O)c(Br)c2)cc1C(C)C ZINC000409291398 1071876393 /nfs/dbraw/zinc/87/63/93/1071876393.db2.gz CIDOONSVHLNJCG-UHFFFAOYSA-N 0 2 599.323 7.007 40 30 KKEBLN CC1(C)CC(=O)C2=C(C1)N(CCc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(O)c([N+](=O)[O-])c1 ZINC000409041266 1071881082 /nfs/dbraw/zinc/88/10/82/1071881082.db2.gz ZYUJLGVFHGYFFE-UHFFFAOYSA-N 0 2 514.622 6.229 40 30 KKEBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000408788337 1071899640 /nfs/dbraw/zinc/89/96/40/1071899640.db2.gz DXCHBQPNYFPXJP-KEBDBYFISA-N 0 2 613.795 5.070 40 30 KKEBLN COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)c(O)c(Br)c2)C2=C1CC(C)(C)CC2=O ZINC000409039141 1071901874 /nfs/dbraw/zinc/90/18/74/1071901874.db2.gz QOWDIVCAIWBJFU-UHFFFAOYSA-N 0 2 581.345 6.249 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000409067236 1071996883 /nfs/dbraw/zinc/99/68/83/1071996883.db2.gz PVMMRAIIKKKSJY-PXLXIMEGSA-N 0 2 534.971 5.852 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000409065105 1071996010 /nfs/dbraw/zinc/99/60/10/1071996010.db2.gz HKNRCYNAMIMIKV-VUTHCHCSSA-N 0 2 562.622 6.221 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000409066651 1072000833 /nfs/dbraw/zinc/00/08/33/1072000833.db2.gz BDBFPNBIPLPKEL-HYARGMPZSA-N 0 2 551.426 6.366 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409066815 1072000367 /nfs/dbraw/zinc/00/03/67/1072000367.db2.gz BNXXFUOCMNYNQW-OEAKJJBVSA-N 0 2 520.944 5.462 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000409065619 1072007271 /nfs/dbraw/zinc/00/72/71/1072007271.db2.gz IDIKSKILZIZVFJ-OEAKJJBVSA-N 0 2 534.971 5.852 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000409065732 1072007990 /nfs/dbraw/zinc/00/79/90/1072007990.db2.gz JHNBSSPHYZWFKS-FSJBWODESA-N 0 2 599.898 7.328 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409065602 1072009599 /nfs/dbraw/zinc/00/95/99/1072009599.db2.gz JOYPCWCQTKMFJD-CIAFOILYSA-N 0 2 585.871 6.938 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409063422 1072022241 /nfs/dbraw/zinc/02/22/41/1072022241.db2.gz BNVDBYOGSQYOIO-HZHRSRAPSA-N 0 2 576.005 5.929 40 30 KKEBLN O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1cc(Br)c(O)c(Br)c1 ZINC000409304525 1072037014 /nfs/dbraw/zinc/03/70/14/1072037014.db2.gz LKTKHODYZLBSSY-UHFFFAOYSA-N 0 2 505.210 5.557 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409076691 1072049484 /nfs/dbraw/zinc/04/94/84/1072049484.db2.gz BUCUJLSTZAMKQJ-CIAFOILYSA-N 0 2 626.500 6.108 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409076081 1072055292 /nfs/dbraw/zinc/05/52/92/1072055292.db2.gz XNESCZFFTMHOGW-MFKUBSTISA-N 0 2 545.035 6.329 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000409075924 1072056793 /nfs/dbraw/zinc/05/67/93/1072056793.db2.gz VLJUUXUYNUQKIA-ZVHZXABRSA-N 0 2 534.971 5.852 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000409075764 1072057369 /nfs/dbraw/zinc/05/73/69/1072057369.db2.gz XUEXCRALMJEURT-PXLXIMEGSA-N 0 2 534.971 5.852 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000409075269 1072061145 /nfs/dbraw/zinc/06/11/45/1072061145.db2.gz QIFXWCAPDKRSMJ-NDZAJKAJSA-N 0 2 592.623 6.387 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409072922 1072078563 /nfs/dbraw/zinc/07/85/63/1072078563.db2.gz WKSGRMHETCAIEZ-LFVJCYFKSA-N 0 2 545.035 6.329 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409072963 1072078598 /nfs/dbraw/zinc/07/85/98/1072078598.db2.gz UJRSWFGXAFDLBV-PCLIKHOPSA-N 0 2 512.562 5.073 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OC)c1OCc1ccccc1 ZINC000409072969 1072078617 /nfs/dbraw/zinc/07/86/17/1072078617.db2.gz ODWFLSWZWUDZRI-OEAKJJBVSA-N 0 2 516.981 5.631 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(OC)c1OCc1ccccc1F ZINC000409072845 1072079816 /nfs/dbraw/zinc/07/98/16/1072079816.db2.gz DXVGNIIVEODRMA-XSFVSMFZSA-N 0 2 520.944 5.462 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000409071935 1072085629 /nfs/dbraw/zinc/08/56/29/1072085629.db2.gz QTVPCWOVSMQGOK-NJZRLIGZSA-N 0 2 588.660 6.638 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409071522 1072088700 /nfs/dbraw/zinc/08/87/00/1072088700.db2.gz GRDPIMSKYBHHJL-OEAKJJBVSA-N 0 2 601.464 5.555 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409071212 1072090233 /nfs/dbraw/zinc/09/02/33/1072090233.db2.gz IQAWXUKJHRMKQN-MFKUBSTISA-N 0 2 531.008 6.021 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000409070906 1072091976 /nfs/dbraw/zinc/09/19/76/1072091976.db2.gz HHTZKAALWDHLFU-LFVJCYFKSA-N 0 2 547.007 5.721 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000409070678 1072094545 /nfs/dbraw/zinc/09/45/45/1072094545.db2.gz DNMGSHHKGUWLIU-OGLMXYFKSA-N 0 2 577.593 6.121 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409069829 1072100424 /nfs/dbraw/zinc/10/04/24/1072100424.db2.gz XBJJXAHXJIPHFD-KGENOOAVSA-N 0 2 537.399 5.976 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000409069289 1072103624 /nfs/dbraw/zinc/10/36/24/1072103624.db2.gz IHQFWIBPMDJBMF-PXLXIMEGSA-N 0 2 595.877 6.475 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000409068760 1072108836 /nfs/dbraw/zinc/10/88/36/1072108836.db2.gz HWDDLOJDYPHVMH-HZHRSRAPSA-N 0 2 548.998 6.160 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000409067860 1072115314 /nfs/dbraw/zinc/11/53/14/1072115314.db2.gz DJAUGKFUPAOLIE-KGENOOAVSA-N 0 2 520.944 5.462 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409079412 1072134517 /nfs/dbraw/zinc/13/45/17/1072134517.db2.gz FTIKLURBGVOEPV-HZHRSRAPSA-N 0 2 602.556 5.488 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409087151 1072158784 /nfs/dbraw/zinc/15/87/84/1072158784.db2.gz GNTRFWDSLXVZLA-OEAKJJBVSA-N 0 2 586.557 5.706 40 30 KKEBLN CCCN1C(=O)/C(=C/c2cc(Br)c(O)c(Br)c2)S/C1=N/c1ccc(Cl)cc1 ZINC000409082698 1072207143 /nfs/dbraw/zinc/20/71/43/1072207143.db2.gz SJPOSFSVMKDWAM-WVAULHCUSA-N 0 2 530.669 6.585 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409083248 1072203787 /nfs/dbraw/zinc/20/37/87/1072203787.db2.gz NVQOLIPRZZGGOA-CPNJWEJPSA-N 0 2 592.948 5.742 40 30 KKEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409081392 1072222649 /nfs/dbraw/zinc/22/26/49/1072222649.db2.gz OABNOVSYSKZXKN-KGENOOAVSA-N 0 2 581.503 6.200 40 30 KKEBLN CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)ccc1OCc1ccc(Br)cc1 ZINC000409336574 1072331336 /nfs/dbraw/zinc/33/13/36/1072331336.db2.gz PTKZSALZKRZKLB-XRSHBMEUSA-N 0 2 544.496 6.259 40 30 KKEBLN N=C1SC(=Cc2cc(I)c(OCc3ccccc3)c(I)c2)C(O)=C1c1nccs1 ZINC000409336226 1072332608 /nfs/dbraw/zinc/33/26/08/1072332608.db2.gz MQBLBJKFPAQPKD-RBTZALBQSA-N 0 2 644.297 6.349 40 30 KKEBLN N=C1SC(=Cc2ccc(OCc3cccc4ccccc43)c(Br)c2)C(O)=C1c1nccs1 ZINC000409335514 1072338601 /nfs/dbraw/zinc/33/86/01/1072338601.db2.gz JFTMPLHCBGBCNW-KWQJMZPGSA-N 0 2 521.461 7.056 40 30 KKEBLN CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409334717 1072343552 /nfs/dbraw/zinc/34/35/52/1072343552.db2.gz IEOCXZMIOFWIGE-BGSLBXMQSA-N 0 2 534.490 6.803 40 30 KKEBLN N=C1SC(=Cc2cc(I)c(OCc3cccc4ccccc43)c(I)c2)C(O)=C1c1nccs1 ZINC000409333913 1072350239 /nfs/dbraw/zinc/35/02/39/1072350239.db2.gz FWMPACGNTZWCEY-CUJWHMTGSA-N 0 2 694.357 7.502 40 30 KKEBLN COCc1nnc([C@H](Cc2ccccc2)NC(=O)C[C@@H](c2ccc(SC)cc2)C2C(=O)C[C@@H](C)[C@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)C2=O)[nH]1 ZINC001547138730 1073180847 /nfs/dbraw/zinc/18/08/47/1073180847.db2.gz QSVTZVZBOIDRLS-PCSBWRCASA-N 0 2 747.270 6.353 40 30 KKEBLN CCc1ccc2oc(-c3cc(/N=C/c4cc(Br)cc(Br)c4O)ccc3O)nc2c1 ZINC000003032409 552268123 /nfs/dbraw/zinc/26/81/23/552268123.db2.gz WEXUENQDAWWVFW-OPEKNORGSA-N 0 2 516.189 6.744 40 30 KKEBLN O=C(CC1S/C(=N\c2ccc(OC(F)F)cc2)N([C@@H]2CCCc3ccccc32)C1=O)Nc1ccccc1 ZINC000003251025 552322115 /nfs/dbraw/zinc/32/21/15/552322115.db2.gz GWCXNJWXRCEVQI-QHZWIXGQSA-N 0 2 521.589 6.326 40 30 KKEBLN O=C(C[C@H]1S/C(=N\c2ccc(OC(F)F)cc2)N([C@@H]2CCCc3ccccc32)C1=O)Nc1ccccc1 ZINC000003251025 552322118 /nfs/dbraw/zinc/32/21/18/552322118.db2.gz GWCXNJWXRCEVQI-QHZWIXGQSA-N 0 2 521.589 6.326 40 30 KKEBLN Cc1cc(C)cc(/N=C2\SC(CC(=O)Nc3c(C)cccc3C)C(=O)N2Cc2ccc3c(c2)OCO3)c1 ZINC000003252394 552322909 /nfs/dbraw/zinc/32/29/09/552322909.db2.gz ODBAJGZDSADGAM-RKHTVNCQSA-N 0 2 515.635 5.809 40 30 KKEBLN Cc1cc(C)cc(/N=C2\S[C@@H](CC(=O)Nc3c(C)cccc3C)C(=O)N2Cc2ccc3c(c2)OCO3)c1 ZINC000003252394 552322912 /nfs/dbraw/zinc/32/29/12/552322912.db2.gz ODBAJGZDSADGAM-RKHTVNCQSA-N 0 2 515.635 5.809 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N\c3ccc(F)cc3)N([C@@H](C)CCC(C)C)C2=O)c([N+](=O)[O-])c1 ZINC000015911365 553541070 /nfs/dbraw/zinc/54/10/70/553541070.db2.gz AJOWCRSWERVZHS-PEIXWMAYSA-N 0 2 516.595 5.528 40 30 KKEBLN COc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccc(F)cc3)N([C@@H](C)CCC(C)C)C2=O)c([N+](=O)[O-])c1 ZINC000015911365 553541072 /nfs/dbraw/zinc/54/10/72/553541072.db2.gz AJOWCRSWERVZHS-PEIXWMAYSA-N 0 2 516.595 5.528 40 30 KKEBLN Cc1c(Cl)cccc1NC(=O)CC1S/C(=N/c2cccc3ccccc32)N(C[C@H]2CCCO2)C1=O ZINC000015911467 553541196 /nfs/dbraw/zinc/54/11/96/553541196.db2.gz PERCQBCSDLQIGM-XMMWWVHMSA-N 0 2 508.043 5.941 40 30 KKEBLN Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N/c2cccc3ccccc32)N(C[C@H]2CCCO2)C1=O ZINC000015911467 553541198 /nfs/dbraw/zinc/54/11/98/553541198.db2.gz PERCQBCSDLQIGM-XMMWWVHMSA-N 0 2 508.043 5.941 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N\c3ccc(F)cc3)N([C@H](C)CCC(C)C)C2=O)c([N+](=O)[O-])c1 ZINC000015911369 553541205 /nfs/dbraw/zinc/54/12/05/553541205.db2.gz AJOWCRSWERVZHS-GDUDGAMGSA-N 0 2 516.595 5.528 40 30 KKEBLN COc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccc(F)cc3)N([C@H](C)CCC(C)C)C2=O)c([N+](=O)[O-])c1 ZINC000015911369 553541206 /nfs/dbraw/zinc/54/12/06/553541206.db2.gz AJOWCRSWERVZHS-GDUDGAMGSA-N 0 2 516.595 5.528 40 30 KKEBLN CC(=O)c1ccc(NC(=O)CC2SC(=Nc3ccc(C)c(C)c3)N(CCC3=CCCCC3)C2=O)cc1 ZINC000015911416 553541240 /nfs/dbraw/zinc/54/12/40/553541240.db2.gz KJQCDLYYEHTEIB-NFMXCSJRSA-N 0 2 503.668 6.357 40 30 KKEBLN CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(CCC3=CCCCC3)C2=O)cc1 ZINC000015911416 553541243 /nfs/dbraw/zinc/54/12/43/553541243.db2.gz KJQCDLYYEHTEIB-NFMXCSJRSA-N 0 2 503.668 6.357 40 30 KKEBLN O=C(CC1S/C(=N\c2ccc(SC(F)F)cc2)N(C[C@H]2CCCO2)C1=O)Nc1ccc(F)cc1 ZINC000015912921 553541854 /nfs/dbraw/zinc/54/18/54/553541854.db2.gz XCUXYOTXEBGERZ-UKKYWGJNSA-N 0 2 509.575 5.280 40 30 KKEBLN O=C(C[C@H]1S/C(=N\c2ccc(SC(F)F)cc2)N(C[C@H]2CCCO2)C1=O)Nc1ccc(F)cc1 ZINC000015912921 553541857 /nfs/dbraw/zinc/54/18/57/553541857.db2.gz XCUXYOTXEBGERZ-UKKYWGJNSA-N 0 2 509.575 5.280 40 30 KKEBLN COC(=O)C(=C(O)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)c1csc(-n2nc(C3=CCCCC3)cc2-c2ccccc2)n1 ZINC000082175272 553674557 /nfs/dbraw/zinc/67/45/57/553674557.db2.gz UIBISCTXYRHCFE-DEOSSOPVSA-N 0 2 640.505 7.282 40 30 KKEBLN COc1ccccc1NS(=O)(=O)c1ccc(N=NC(C)c2ccccc2Br)c([N+](=O)[O-])c1 ZINC000095593247 553705273 /nfs/dbraw/zinc/70/52/73/553705273.db2.gz XCXBZMQZXKZSPX-OEAKJJBVSA-N 0 2 519.377 5.003 40 30 KKEBLN O=C(CC1S/C(=N/c2ccc(SC(F)F)cc2)N(CCC2=CCCCC2)C1=O)Nc1ccccc1F ZINC000096022030 553718919 /nfs/dbraw/zinc/71/89/19/553718919.db2.gz PQQZXXNPCVXXDK-UKSQQKGKSA-N 0 2 533.641 6.991 40 30 KKEBLN O=C(C[C@@H]1S/C(=N/c2ccc(SC(F)F)cc2)N(CCC2=CCCCC2)C1=O)Nc1ccccc1F ZINC000096022030 553718920 /nfs/dbraw/zinc/71/89/20/553718920.db2.gz PQQZXXNPCVXXDK-UKSQQKGKSA-N 0 2 533.641 6.991 40 30 KKEBLN CCOc1ccc(/N=C2/SC(CC(=O)Nc3ccc(Oc4ccccc4)cc3)C(=O)N2C2CC2)cc1 ZINC000096400519 553753706 /nfs/dbraw/zinc/75/37/06/553753706.db2.gz UIGLNSXGZKQCSX-AGZANAATSA-N 0 2 501.608 6.000 40 30 KKEBLN CCOc1ccccc1/N=C1/SC(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1C1CCCC1 ZINC000096400531 553753954 /nfs/dbraw/zinc/75/39/54/553753954.db2.gz VTBVUDPXOCOMAU-BPMVYWJCSA-N 0 2 517.007 5.550 40 30 KKEBLN CCOc1ccccc1/N=C1/S[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1C1CCCC1 ZINC000096400531 553753956 /nfs/dbraw/zinc/75/39/56/553753956.db2.gz VTBVUDPXOCOMAU-BPMVYWJCSA-N 0 2 517.007 5.550 40 30 KKEBLN Cc1ccc(Nc2nc(N=NCc3cc(Br)c(O)c(Br)c3)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000097966198 553907340 /nfs/dbraw/zinc/90/73/40/553907340.db2.gz XSACYUPQAXRMID-KCSSXMTESA-N 0 2 651.407 7.059 40 30 KKEBLN Cc1cccc(/N=C2/SC(CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2CCc2ccc(Cl)cc2Cl)c1C ZINC000097981990 553998882 /nfs/dbraw/zinc/99/88/82/553998882.db2.gz SJDPWTMZWUBIKN-UVRGUWNBSA-N 0 2 594.486 7.832 40 30 KKEBLN Cc1cccc(/N=C2/S[C@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2CCc2ccc(Cl)cc2Cl)c1C ZINC000097981990 553998884 /nfs/dbraw/zinc/99/88/84/553998884.db2.gz SJDPWTMZWUBIKN-UVRGUWNBSA-N 0 2 594.486 7.832 40 30 KKEBLN COc1ccc(Cl)cc1NC(=O)CC1S/C(=N\c2ccc(OC(F)F)cc2)N(Cc2ccccn2)C1=O ZINC000097982032 553999213 /nfs/dbraw/zinc/99/92/13/553999213.db2.gz AXNNGQUSBJHCJC-WQWDCVMQSA-N 0 2 546.983 5.506 40 30 KKEBLN COc1ccc(Cl)cc1NC(=O)C[C@H]1S/C(=N\c2ccc(OC(F)F)cc2)N(Cc2ccccn2)C1=O ZINC000097982032 553999220 /nfs/dbraw/zinc/99/92/20/553999220.db2.gz AXNNGQUSBJHCJC-WQWDCVMQSA-N 0 2 546.983 5.506 40 30 KKEBLN O=C(CC1S/C(=N/c2ccc(OC(F)F)cc2)N(C2CCCC2)C1=O)Nc1ccccc1C(F)(F)F ZINC000097982043 553999294 /nfs/dbraw/zinc/99/92/94/553999294.db2.gz QEDNDSRRZNDSDS-QTYBDBPSSA-N 0 2 527.515 6.210 40 30 KKEBLN O=C(C[C@@H]1S/C(=N/c2ccc(OC(F)F)cc2)N(C2CCCC2)C1=O)Nc1ccccc1C(F)(F)F ZINC000097982043 553999295 /nfs/dbraw/zinc/99/92/95/553999295.db2.gz QEDNDSRRZNDSDS-QTYBDBPSSA-N 0 2 527.515 6.210 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N/c3ccc(SC(F)F)cc3)N(C3CCCC3)C2=O)c(OC)c1 ZINC000097982098 553999873 /nfs/dbraw/zinc/99/98/73/553999873.db2.gz RPCYDQUPNIWZSK-NHUUCQDUSA-N 0 2 535.638 5.921 40 30 KKEBLN COc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(SC(F)F)cc3)N(C3CCCC3)C2=O)c(OC)c1 ZINC000097982098 553999876 /nfs/dbraw/zinc/99/98/76/553999876.db2.gz RPCYDQUPNIWZSK-NHUUCQDUSA-N 0 2 535.638 5.921 40 30 KKEBLN Cc1cccc(C)c1/N=C1/SC(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C(=O)N1C[C@@H]1CCCO1 ZINC000097982116 553999978 /nfs/dbraw/zinc/99/99/78/553999978.db2.gz FEUDYXFFZJZTPN-YSSUSSFPSA-N 0 2 540.007 6.115 40 30 KKEBLN Cc1cccc(C)c1/N=C1/S[C@@H](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C(=O)N1C[C@@H]1CCCO1 ZINC000097982116 553999983 /nfs/dbraw/zinc/99/99/83/553999983.db2.gz FEUDYXFFZJZTPN-YSSUSSFPSA-N 0 2 540.007 6.115 40 30 KKEBLN C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccccc1C#N ZINC000059104188 554379463 /nfs/dbraw/zinc/37/94/63/554379463.db2.gz XLPPDUVIYBQCJX-YDZHTSKRSA-N 0 2 507.502 5.101 40 30 KKEBLN Cc1cc(/C=[NH+]/Cc2ccc(C(=O)[O-])cc2)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000059303352 554388123 /nfs/dbraw/zinc/38/81/23/554388123.db2.gz FYNHLWNNUYSWKE-KCSSXMTESA-N 0 2 525.674 6.912 40 30 KKEBLN O=C(CSc1nc2ccc(/N=C/c3ccc(O)c([N+](=O)[O-])c3)cc2s1)Nc1cccc(C(F)(F)F)c1 ZINC000100455388 554395918 /nfs/dbraw/zinc/39/59/18/554395918.db2.gz GHSLEFVHCVDTKR-LUOAPIJWSA-N 0 2 532.525 6.410 40 30 KKEBLN O=C(C[C@H]1S/C(=N\N=C\c2ccc(Br)cc2)N(c2ccc(O)cc2)C1=O)Nc1ccc(Br)cc1 ZINC000100849917 554492605 /nfs/dbraw/zinc/49/26/05/554492605.db2.gz CYEPQYVROKRGFV-RGIOCJBNSA-N 0 2 602.308 5.785 40 30 KKEBLN Cc1cc2nc(-c3cccc(/N=C/c4cc(Cc5ccccc5Cl)cc(Br)c4O)c3O)oc2cc1C ZINC000100936353 554530426 /nfs/dbraw/zinc/53/04/26/554530426.db2.gz LMJDRVKERSBBGS-VWJSQJICSA-N 0 2 561.863 8.280 40 30 KKEBLN CC(/C=N/N=C1/SC(CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccco1)=C\c1ccccc1 ZINC000101025484 554563588 /nfs/dbraw/zinc/56/35/88/554563588.db2.gz ORPZPAHWSLOEKX-OLSNUHIQSA-N 0 2 540.567 6.217 40 30 KKEBLN O=C(CC1S/C(=N/S(=O)(=O)c2ccc(Cl)cc2)N(C2CCCCC2)C1=O)Nc1ccc(Cl)cc1 ZINC000101042501 554567793 /nfs/dbraw/zinc/56/77/93/554567793.db2.gz LOBUSZDETCLTLO-LGADCTONSA-N 0 2 540.494 5.344 40 30 KKEBLN Cc1ccccc1NC(=O)CC1S/C(=N/S(=O)(=O)c2ccc(Cl)s2)N(C2CCCCC2)C1=O ZINC000101043101 554567967 /nfs/dbraw/zinc/56/79/67/554567967.db2.gz SHFXJJAHUCSFDW-RXYYWTOOSA-N 0 2 526.105 5.060 40 30 KKEBLN COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CCC(=NOC(=O)C[C@@H]5SC(=O)NC5=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000101262644 554697638 /nfs/dbraw/zinc/69/76/38/554697638.db2.gz NAXBQOBKRFCYKY-BDNSCSJBSA-N 0 2 640.887 7.602 40 30 KKEBLN CCOC(=O)c1ccc(NC(=O)CC2S/C(=N/c3ccc(OC)cc3)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000101583108 554800982 /nfs/dbraw/zinc/80/09/82/554800982.db2.gz OCFCPCIYHJTTLX-INISNGJDSA-N 0 2 591.686 5.092 40 30 KKEBLN CCOC(=O)c1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(OC)cc3)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000101583108 554800984 /nfs/dbraw/zinc/80/09/84/554800984.db2.gz OCFCPCIYHJTTLX-INISNGJDSA-N 0 2 591.686 5.092 40 30 KKEBLN CCCCCCOc1ccc(NC(=O)CC2S/C(=N/c3ccc(Cl)cc3)N(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000101597955 554803659 /nfs/dbraw/zinc/80/36/59/554803659.db2.gz PXULHBLLPZWLMQ-FZYZOHACSA-N 0 2 580.150 7.468 40 30 KKEBLN CCCCCCOc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(Cl)cc3)N(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000101597955 554803662 /nfs/dbraw/zinc/80/36/62/554803662.db2.gz PXULHBLLPZWLMQ-FZYZOHACSA-N 0 2 580.150 7.468 40 30 KKEBLN COc1ccc(/N=C2/SC(CC(=O)Nc3ccc(Cl)cc3)C(=O)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000101600239 554803939 /nfs/dbraw/zinc/80/39/39/554803939.db2.gz CHNTTWDOFORURU-ZSUDGOGXSA-N 0 2 540.041 5.526 40 30 KKEBLN COc1ccc(/N=C2/S[C@@H](CC(=O)Nc3ccc(Cl)cc3)C(=O)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000101600239 554803940 /nfs/dbraw/zinc/80/39/40/554803940.db2.gz CHNTTWDOFORURU-ZSUDGOGXSA-N 0 2 540.041 5.526 40 30 KKEBLN CCOc1ccc(NC(=O)CC2S/C(=N/c3ccc(OC(F)(F)Cl)cc3)N(Cc3ccccc3)C2=O)cc1 ZINC000101662833 554822120 /nfs/dbraw/zinc/82/21/20/554822120.db2.gz ZUCLNYBEBGIRDS-TUAZGVTNSA-N 0 2 560.022 6.414 40 30 KKEBLN CCOc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(OC(F)(F)Cl)cc3)N(Cc3ccccc3)C2=O)cc1 ZINC000101662833 554822122 /nfs/dbraw/zinc/82/21/22/554822122.db2.gz ZUCLNYBEBGIRDS-TUAZGVTNSA-N 0 2 560.022 6.414 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000102406137 554920805 /nfs/dbraw/zinc/92/08/05/554920805.db2.gz KLAMQNUOMIPDMR-XMWFGAJLSA-N 0 2 552.052 5.686 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000102406137 554920809 /nfs/dbraw/zinc/92/08/09/554920809.db2.gz KLAMQNUOMIPDMR-XMWFGAJLSA-N 0 2 552.052 5.686 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3cccc(C)c3)C(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000102406094 554920857 /nfs/dbraw/zinc/92/08/57/554920857.db2.gz PQHYGCLKWQEIAL-SKCJHTIKSA-N 0 2 545.661 5.383 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@H](CC(=O)Nc3cccc(C)c3)C(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000102406094 554920859 /nfs/dbraw/zinc/92/08/59/554920859.db2.gz PQHYGCLKWQEIAL-SKCJHTIKSA-N 0 2 545.661 5.383 40 30 KKEBLN CCOc1cccc(NC(=O)CC2S/C(=N\c3ccc(C(F)(F)F)cc3)N(Cc3ccccc3)C2=O)c1 ZINC000102406293 554921152 /nfs/dbraw/zinc/92/11/52/554921152.db2.gz VZPVOKGSOIKGEZ-HFJFZZAHSA-N 0 2 527.568 6.265 40 30 KKEBLN CCOc1cccc(NC(=O)C[C@H]2S/C(=N\c3ccc(C(F)(F)F)cc3)N(Cc3ccccc3)C2=O)c1 ZINC000102406293 554921154 /nfs/dbraw/zinc/92/11/54/554921154.db2.gz VZPVOKGSOIKGEZ-HFJFZZAHSA-N 0 2 527.568 6.265 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3ccc(OC)cc3)C(=O)N2CCc2ccccc2F)cc1 ZINC000102406565 554921156 /nfs/dbraw/zinc/92/11/56/554921156.db2.gz XILQVWXZKZAKRX-MEXAFARESA-N 0 2 549.624 5.214 40 30 KKEBLN CCOC(=O)c1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(OC)cc3)C(=O)N2CCc2ccccc2F)cc1 ZINC000102406565 554921157 /nfs/dbraw/zinc/92/11/57/554921157.db2.gz XILQVWXZKZAKRX-MEXAFARESA-N 0 2 549.624 5.214 40 30 KKEBLN O=C(CC1S/C(=N\c2ccc(Cl)cc2)N(C(c2ccccc2)c2ccccc2)C1=O)Nc1ccc(F)cc1 ZINC000102406841 554921343 /nfs/dbraw/zinc/92/13/43/554921343.db2.gz IJWPIOCAHRXVON-JASJMPGSSA-N 0 2 544.051 7.229 40 30 KKEBLN O=C(C[C@H]1S/C(=N\c2ccc(Cl)cc2)N(C(c2ccccc2)c2ccccc2)C1=O)Nc1ccc(F)cc1 ZINC000102406841 554921345 /nfs/dbraw/zinc/92/13/45/554921345.db2.gz IJWPIOCAHRXVON-JASJMPGSSA-N 0 2 544.051 7.229 40 30 KKEBLN CCCOc1ccc(NC(=O)CC2S/C(=N\c3cccc(C(F)(F)F)c3)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000102408388 554922832 /nfs/dbraw/zinc/92/28/32/554922832.db2.gz VVFRCUFAXWBHHV-ODUZYHDNSA-N 0 2 615.674 6.714 40 30 KKEBLN CCCOc1ccc(NC(=O)C[C@H]2S/C(=N\c3cccc(C(F)(F)F)c3)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000102408388 554922834 /nfs/dbraw/zinc/92/28/34/554922834.db2.gz VVFRCUFAXWBHHV-ODUZYHDNSA-N 0 2 615.674 6.714 40 30 KKEBLN O=C(CC1S/C(=N\c2ccc(Cl)cc2)N(C(c2ccccc2)c2ccccc2)C1=O)Nc1ccccc1 ZINC000102408465 554922865 /nfs/dbraw/zinc/92/28/65/554922865.db2.gz NODJCYPVRYOXEV-YICFVICHSA-N 0 2 526.061 7.090 40 30 KKEBLN O=C(C[C@@H]1S/C(=N\c2ccc(Cl)cc2)N(C(c2ccccc2)c2ccccc2)C1=O)Nc1ccccc1 ZINC000102408465 554922868 /nfs/dbraw/zinc/92/28/68/554922868.db2.gz NODJCYPVRYOXEV-YICFVICHSA-N 0 2 526.061 7.090 40 30 KKEBLN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1/C=N\N=C1/NC(=O)C(CC(=O)Nc2ccc(C)cc2)S1 ZINC000102923751 555148267 /nfs/dbraw/zinc/14/82/67/555148267.db2.gz DQPRKGYXDXYBLE-APTYXWLQSA-N 0 2 556.623 5.371 40 30 KKEBLN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1/C=N\N=C1/NC(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)S1 ZINC000102923751 555148269 /nfs/dbraw/zinc/14/82/69/555148269.db2.gz DQPRKGYXDXYBLE-APTYXWLQSA-N 0 2 556.623 5.371 40 30 KKEBLN CC(=O)c1ccc(N=C2SC(CC(=O)Nc3c(C)cccc3C)C(=O)N2CCC2=CCCCC2)cc1 ZINC000102925011 555149063 /nfs/dbraw/zinc/14/90/63/555149063.db2.gz FLSLFGFSPBUJDA-CHJUCYJUSA-N 0 2 503.668 6.357 40 30 KKEBLN CC(=O)c1ccc(N=C2S[C@H](CC(=O)Nc3c(C)cccc3C)C(=O)N2CCC2=CCCCC2)cc1 ZINC000102925011 555149066 /nfs/dbraw/zinc/14/90/66/555149066.db2.gz FLSLFGFSPBUJDA-CHJUCYJUSA-N 0 2 503.668 6.357 40 30 KKEBLN CCCCc1ccc(NC(=O)CC2S/C(=N/c3ccc(C)c(C)c3)N(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000102926961 555151731 /nfs/dbraw/zinc/15/17/31/555151731.db2.gz JUERSSZUNSEKDA-MFQHLKQYSA-N 0 2 529.706 6.815 40 30 KKEBLN CCCCc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(C)c(C)c3)N(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000102926961 555151733 /nfs/dbraw/zinc/15/17/33/555151733.db2.gz JUERSSZUNSEKDA-MFQHLKQYSA-N 0 2 529.706 6.815 40 30 KKEBLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=C(C(=O)c1ccccc1)c1ccccc1 ZINC000102937538 555165492 /nfs/dbraw/zinc/16/54/92/555165492.db2.gz GOZKRJRYFNGLFZ-PBBVDAKRSA-N 0 2 530.562 5.103 40 30 KKEBLN CCOc1ccc(/N=C2\SC(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)C(=O)N2C2CCCC2)cc1 ZINC000102961555 555177235 /nfs/dbraw/zinc/17/72/35/555177235.db2.gz YABGLTJIYPHOKO-PLHZELPKSA-N 0 2 540.007 6.660 40 30 KKEBLN CCOc1ccc(/N=C2\S[C@H](CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)C(=O)N2C2CCCC2)cc1 ZINC000102961555 555177236 /nfs/dbraw/zinc/17/72/36/555177236.db2.gz YABGLTJIYPHOKO-PLHZELPKSA-N 0 2 540.007 6.660 40 30 KKEBLN CCOc1ccccc1/N=C1\SC(CC(=O)Nc2ccccc2Br)C(=O)N1Cc1ccccn1 ZINC000102961522 555177281 /nfs/dbraw/zinc/17/72/81/555177281.db2.gz FMUUHARLPQOXIL-YRUIYKTESA-N 0 2 539.455 5.403 40 30 KKEBLN CCOc1ccccc1/N=C1\S[C@H](CC(=O)Nc2ccccc2Br)C(=O)N1Cc1ccccn1 ZINC000102961522 555177284 /nfs/dbraw/zinc/17/72/84/555177284.db2.gz FMUUHARLPQOXIL-YRUIYKTESA-N 0 2 539.455 5.403 40 30 KKEBLN CCOc1ccccc1/N=C1\SC(CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000102961527 555177317 /nfs/dbraw/zinc/17/73/17/555177317.db2.gz CREAZIMLOXVTHB-FJOMVMCCSA-N 0 2 538.025 5.628 40 30 KKEBLN CCOc1ccccc1/N=C1\S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000102961527 555177321 /nfs/dbraw/zinc/17/73/21/555177321.db2.gz CREAZIMLOXVTHB-FJOMVMCCSA-N 0 2 538.025 5.628 40 30 KKEBLN COc1ccc(NC(=O)CC2S/C(=N/c3ccc(Cl)cc3)N(Cc3ccco3)C2=O)c([N+](=O)[O-])c1 ZINC000102961737 555177584 /nfs/dbraw/zinc/17/75/84/555177584.db2.gz XQSQKRCPTAPYIO-XUKXGFMLSA-N 0 2 514.947 5.010 40 30 KKEBLN COc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(Cl)cc3)N(Cc3ccco3)C2=O)c([N+](=O)[O-])c1 ZINC000102961737 555177587 /nfs/dbraw/zinc/17/75/87/555177587.db2.gz XQSQKRCPTAPYIO-XUKXGFMLSA-N 0 2 514.947 5.010 40 30 KKEBLN COc1ccc(Cl)cc1NC(=O)CC1S/C(=N/c2ccc(OC(F)F)cc2)N(Cc2ccccn2)C1=O ZINC000102961930 555178033 /nfs/dbraw/zinc/17/80/33/555178033.db2.gz AXNNGQUSBJHCJC-UCQDIZFZSA-N 0 2 546.983 5.506 40 30 KKEBLN COc1ccc(Cl)cc1NC(=O)C[C@H]1S/C(=N/c2ccc(OC(F)F)cc2)N(Cc2ccccn2)C1=O ZINC000102961930 555178035 /nfs/dbraw/zinc/17/80/35/555178035.db2.gz AXNNGQUSBJHCJC-UCQDIZFZSA-N 0 2 546.983 5.506 40 30 KKEBLN COc1ccc(Cl)cc1NC(=O)CC1S/C(=N/c2ccc(OC(F)F)cc2)N(Cc2ccccn2)C1=O ZINC000102961932 555178072 /nfs/dbraw/zinc/17/80/72/555178072.db2.gz AXNNGQUSBJHCJC-ODXZCNLHSA-N 0 2 546.983 5.506 40 30 KKEBLN COc1ccc(Cl)cc1NC(=O)C[C@@H]1S/C(=N/c2ccc(OC(F)F)cc2)N(Cc2ccccn2)C1=O ZINC000102961932 555178074 /nfs/dbraw/zinc/17/80/74/555178074.db2.gz AXNNGQUSBJHCJC-ODXZCNLHSA-N 0 2 546.983 5.506 40 30 KKEBLN Cc1ccc(C)c(/N=C2\SC(CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2Cc2ccc3c(c2)OCO3)c1 ZINC000102962290 555178474 /nfs/dbraw/zinc/17/84/74/555178474.db2.gz YUHCSDHXLFZPQX-TXBHVNISSA-N 0 2 555.578 6.211 40 30 KKEBLN Cc1ccc(C)c(/N=C2\S[C@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2Cc2ccc3c(c2)OCO3)c1 ZINC000102962290 555178476 /nfs/dbraw/zinc/17/84/76/555178476.db2.gz YUHCSDHXLFZPQX-TXBHVNISSA-N 0 2 555.578 6.211 40 30 KKEBLN Cc1ccc(C)c(/N=C2\SC(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000102962315 555178487 /nfs/dbraw/zinc/17/84/87/555178487.db2.gz SDJBEXBCXURJTL-PBVXLHRXSA-N 0 2 540.900 6.403 40 30 KKEBLN Cc1ccc(C)c(/N=C2\S[C@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000102962315 555178490 /nfs/dbraw/zinc/17/84/90/555178490.db2.gz SDJBEXBCXURJTL-PBVXLHRXSA-N 0 2 540.900 6.403 40 30 KKEBLN Cc1ccc(/N=C2\SC(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C(=O)N2Cc2ccccn2)c(C)c1 ZINC000102962340 555178503 /nfs/dbraw/zinc/17/85/03/555178503.db2.gz VMRFECRBAYCJEZ-WIQWWSRHSA-N 0 2 547.002 6.531 40 30 KKEBLN Cc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C(=O)N2Cc2ccccn2)c(C)c1 ZINC000102962340 555178506 /nfs/dbraw/zinc/17/85/06/555178506.db2.gz VMRFECRBAYCJEZ-WIQWWSRHSA-N 0 2 547.002 6.531 40 30 KKEBLN Cc1ccc(C)c(/N=C2/SC(CC(=O)Nc3c(C)cccc3C)C(=O)N2Cc2ccc3c(c2)OCO3)c1 ZINC000102962293 555178514 /nfs/dbraw/zinc/17/85/14/555178514.db2.gz WBGJCSVHAWSHQP-FEIADIGBSA-N 0 2 515.635 5.809 40 30 KKEBLN Cc1ccc(C)c(/N=C2/S[C@@H](CC(=O)Nc3c(C)cccc3C)C(=O)N2Cc2ccc3c(c2)OCO3)c1 ZINC000102962293 555178518 /nfs/dbraw/zinc/17/85/18/555178518.db2.gz WBGJCSVHAWSHQP-FEIADIGBSA-N 0 2 515.635 5.809 40 30 KKEBLN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)c(C)c1 ZINC000102980371 555187405 /nfs/dbraw/zinc/18/74/05/555187405.db2.gz VKIFYQPDHRHCME-HNSNBQBZSA-N 0 2 606.664 7.057 40 30 KKEBLN COc1ccc(-c2nn(-c3ccccc3)cc2CN=Nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[N+](=O)[O-])cc1 ZINC000102983890 555189646 /nfs/dbraw/zinc/18/96/46/555189646.db2.gz GBGDHPSRJMHKEF-ZCTHSVRISA-N 0 2 598.641 5.712 40 30 KKEBLN O=[N+]([O-])c1ccc(N=NCc2ccc(OC(F)F)cc2OC(F)F)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000102984230 555189880 /nfs/dbraw/zinc/18/98/80/555189880.db2.gz PKBSTTIUVHUPAN-LUOAPIJWSA-N 0 2 562.885 5.698 40 30 KKEBLN COc1ccccc1NS(=O)(=O)c1ccc(N=NCc2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000102983935 555190014 /nfs/dbraw/zinc/19/00/14/555190014.db2.gz SMLPMDYPZGYHRU-MTDXEUNCSA-N 0 2 532.578 5.429 40 30 KKEBLN COc1ccc(-c2csc(-n3[nH]c(C)c([C@@H](c4ccc(Br)cc4)C(C#N)C#N)c3=O)n2)cc1 ZINC000103621363 555456584 /nfs/dbraw/zinc/45/65/84/555456584.db2.gz HJLPUCHWIKSBPK-QFIPXVFZSA-N 0 2 520.412 5.576 40 30 KKEBLN N#Cc1c(=O)[nH]c(SCSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)nc1-c1ccc(Cl)cc1 ZINC000103692631 555463279 /nfs/dbraw/zinc/46/32/79/555463279.db2.gz KGQZZGKFUQHZJF-UHFFFAOYSA-N 0 2 539.429 5.079 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OC)c1OCC(=O)OC ZINC000103842740 571362549 /nfs/dbraw/zinc/36/25/49/571362549.db2.gz YPFBQKLEMZDYHT-MZJWZYIUSA-N 0 2 584.669 5.110 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000103843121 571362653 /nfs/dbraw/zinc/36/26/53/571362653.db2.gz IBJASBZURJXIEP-RGVLZGJSSA-N 0 2 551.382 5.696 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000103844465 571362944 /nfs/dbraw/zinc/36/29/44/571362944.db2.gz QYYKJUZLWJANRJ-SRZZPIQSSA-N 0 2 595.435 6.095 40 30 KKEBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1ccccc1C#N ZINC000103845429 571363154 /nfs/dbraw/zinc/36/31/54/571363154.db2.gz XBTDTHZNKHFYFA-FJEPWZHXSA-N 0 2 587.676 6.280 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(OCC)ccc3OCC)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000103846063 571363329 /nfs/dbraw/zinc/36/33/29/571363329.db2.gz RQGRYKCMGXOFRP-KOEQRZSOSA-N 0 2 571.586 5.366 40 30 KKEBLN CCc1ccc(N=C2SC(=Cc3c(O)n(-c4ccc(Cl)cc4)c(=S)[nH]c3=O)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000103846373 571363404 /nfs/dbraw/zinc/36/34/04/571363404.db2.gz NQPHRMMYWFEWQY-QPKPTYEASA-N 0 2 589.142 6.180 40 30 KKEBLN N#Cc1ccccc1COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br ZINC000103849510 571364187 /nfs/dbraw/zinc/36/41/87/571364187.db2.gz RPRPBTTWULNTGZ-DJKKODMXSA-N 0 2 554.759 5.359 40 30 KKEBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000103858743 571366724 /nfs/dbraw/zinc/36/67/24/571366724.db2.gz DUOSZIQVQKMOEB-KEBDBYFISA-N 0 2 566.795 5.228 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000103859470 571367050 /nfs/dbraw/zinc/36/70/50/571367050.db2.gz SAJDVGKLQOLOIO-OEAKJJBVSA-N 0 2 565.395 5.571 40 30 KKEBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000103859253 571367082 /nfs/dbraw/zinc/36/70/82/571367082.db2.gz ATDMWJQBOONOHW-SRZZPIQSSA-N 0 2 580.822 5.618 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000103859544 571367250 /nfs/dbraw/zinc/36/72/50/571367250.db2.gz YOGPYODHFRQRDK-BUVRLJJBSA-N 0 2 606.429 5.730 40 30 KKEBLN CO[C@H](C(=O)C1=C2Oc3c4c(cc(O)c3C(=O)[C@@H]2C2=C(CCCC2)C1=O)OC(C)(C)C=C4)[C@H](C)CCC=C(C)C ZINC000104194999 571376586 /nfs/dbraw/zinc/37/65/86/571376586.db2.gz MMYDZXDNKCPDCM-RWVMMXNJSA-N 0 2 546.660 6.442 40 30 KKEBLN CO[C@H](C(=O)c1c(=O)c2c(c3c(O)c4c(O)cc5c(c4oc1-3)C=CC(C)(C)O5)CCCC2)[C@H](C)CCC=C(C)C ZINC000104194999 571376587 /nfs/dbraw/zinc/37/65/87/571376587.db2.gz MMYDZXDNKCPDCM-RWVMMXNJSA-N 0 2 546.660 6.442 40 30 KKEBLN Cc1ccc(NC(=O)CC2S/C(=N/c3ccc(SC(F)F)cc3)N(C[C@H]3CCCO3)C2=O)c(C)c1 ZINC000105525344 571407205 /nfs/dbraw/zinc/40/72/05/571407205.db2.gz RPYHGHVDBXQOJF-LJMNCYNLSA-N 0 2 519.639 5.757 40 30 KKEBLN Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(SC(F)F)cc3)N(C[C@H]3CCCO3)C2=O)c(C)c1 ZINC000105525344 571407207 /nfs/dbraw/zinc/40/72/07/571407207.db2.gz RPYHGHVDBXQOJF-LJMNCYNLSA-N 0 2 519.639 5.757 40 30 KKEBLN CCOc1ccc(/N=C2\SC(CC(=O)Nc3cccc4ccccc43)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000112361666 571438578 /nfs/dbraw/zinc/43/85/78/571438578.db2.gz CLBCQJMOECOEBO-MWZIAHRJSA-N 0 2 503.624 5.378 40 30 KKEBLN CCOc1ccc(/N=C2\S[C@@H](CC(=O)Nc3cccc4ccccc43)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000112361666 571438579 /nfs/dbraw/zinc/43/85/79/571438579.db2.gz CLBCQJMOECOEBO-MWZIAHRJSA-N 0 2 503.624 5.378 40 30 KKEBLN Cc1c(Cl)cccc1NC(=O)CC1S/C(=N\c2cccc3ccccc32)N(C[C@H]2CCCO2)C1=O ZINC000112361751 571438583 /nfs/dbraw/zinc/43/85/83/571438583.db2.gz PERCQBCSDLQIGM-YAQZSPHSSA-N 0 2 508.043 5.941 40 30 KKEBLN Cc1c(Cl)cccc1NC(=O)C[C@H]1S/C(=N\c2cccc3ccccc32)N(C[C@H]2CCCO2)C1=O ZINC000112361751 571438584 /nfs/dbraw/zinc/43/85/84/571438584.db2.gz PERCQBCSDLQIGM-YAQZSPHSSA-N 0 2 508.043 5.941 40 30 KKEBLN COC(=O)[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)CO/N=C1/C=C2CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000118918271 571444554 /nfs/dbraw/zinc/44/45/54/571444554.db2.gz QEJFEIOBCOMMKR-QEIZHCBASA-N 0 2 609.720 5.041 40 30 KKEBLN Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C\c2cc(I)cc(I)c2O)cc1 ZINC000150380363 571466895 /nfs/dbraw/zinc/46/68/95/571466895.db2.gz BTVJFOFHYDRJCH-FMCGGJTJSA-N 0 2 618.234 5.461 40 30 KKEBLN CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C(=O)[C@H](Sc2nc3ccccc3s2)C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1 ZINC000150382471 571467176 /nfs/dbraw/zinc/46/71/76/571467176.db2.gz GULZKOHYUFAIPP-FAIXQHPJSA-N 0 2 802.072 11.052 40 30 KKEBLN CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C(O)=C(Sc2nc3ccccc3s2)C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1 ZINC000150382471 571467178 /nfs/dbraw/zinc/46/71/78/571467178.db2.gz GULZKOHYUFAIPP-FAIXQHPJSA-N 0 2 802.072 11.052 40 30 KKEBLN Cc1ccc(NC(=O)CSc2nc3ccc(/N=C/c4cc(Br)c(O)c(Br)c4)cc3s2)cc1Cl ZINC000150384271 571468248 /nfs/dbraw/zinc/46/82/48/571468248.db2.gz SRGYYCUOCRGVCY-YPXUMCKCSA-N 0 2 625.795 7.970 40 30 KKEBLN CCc1nnc(NS(=O)(=O)c2ccc(/N=C/c3ccc(/C=N/c4ccc(S(=O)(=O)Nc5nnc(CC)s5)cc4)cc3)cc2)s1 ZINC000150406623 571479851 /nfs/dbraw/zinc/47/98/51/571479851.db2.gz SVEGJPTYWPJDQF-YAGSLNJISA-N 0 2 666.836 5.617 40 30 KKEBLN Cc1ccc(NC(=O)[C@H](CCCNC(=NC(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)cc1C ZINC000150456799 571504754 /nfs/dbraw/zinc/50/47/54/571504754.db2.gz VGFWJXGFOBSZKY-XIFFEERXSA-N 0 2 679.774 6.526 40 30 KKEBLN Oc1c(I)cc(I)cc1C=Nn1c(=S)[nH]nc1-c1ccc(Cl)cc1Cl ZINC000150598923 571522509 /nfs/dbraw/zinc/52/25/09/571522509.db2.gz KXZSJAMIOUAYPJ-IOXNKQMXSA-N 0 2 617.037 5.711 40 30 KKEBLN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1F ZINC000150599252 571522557 /nfs/dbraw/zinc/52/25/57/571522557.db2.gz NXVZHDGIVLJFKD-AREMUKBSSA-N 0 2 628.663 6.822 40 30 KKEBLN C#CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OCC ZINC000164332742 571545914 /nfs/dbraw/zinc/54/59/14/571545914.db2.gz SJKBUZOOICZODI-DHRITJCHSA-N 0 2 650.513 5.836 40 30 KKEBLN N#Cc1ccccc1COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br ZINC000164448143 571547684 /nfs/dbraw/zinc/54/76/84/571547684.db2.gz YDDFSGHZHLQBDM-DJKKODMXSA-N 0 2 615.665 5.982 40 30 KKEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000164472021 571548560 /nfs/dbraw/zinc/54/85/60/571548560.db2.gz QIQZAUHMDNOBHW-LPYMAVHISA-N 0 2 630.322 7.129 40 30 KKEBLN Oc1c(I)cc(/C=N/c2ccc3nc(SCc4c(Cl)cccc4Cl)sc3c2)cc1I ZINC000164521664 571549321 /nfs/dbraw/zinc/54/93/21/571549321.db2.gz PGKPIMCFRORMCM-JQAMDZJQSA-N 0 2 697.188 8.561 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000408536839 572192743 /nfs/dbraw/zinc/19/27/43/572192743.db2.gz BILQLYMJNGQFKO-ZHZULCJRSA-N 0 2 574.428 5.772 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000408537208 572193757 /nfs/dbraw/zinc/19/37/57/572193757.db2.gz CVIZJGIFXHIPMX-MOSHPQCFSA-N 0 2 574.428 5.772 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OC ZINC000408537210 572193817 /nfs/dbraw/zinc/19/38/17/572193817.db2.gz CXRIIQSUADCVLN-QNGOZBTKSA-N 0 2 543.016 5.541 40 30 KKEBLN CCCCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC ZINC000408537425 572194104 /nfs/dbraw/zinc/19/41/04/572194104.db2.gz DYOLSLRGZUXIJK-QNGOZBTKSA-N 0 2 533.452 6.798 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br ZINC000408537385 572194132 /nfs/dbraw/zinc/19/41/32/572194132.db2.gz DIHYREZGANKSJT-CPNJWEJPSA-N 0 2 657.197 7.380 40 30 KKEBLN CCCCCCCCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000408537421 572194446 /nfs/dbraw/zinc/19/44/46/572194446.db2.gz DWPKAGBOVWBHGJ-HFTWOUSFSA-N 0 2 605.529 7.434 40 30 KKEBLN CCCCCCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000408538504 572198626 /nfs/dbraw/zinc/19/86/26/572198626.db2.gz NYHDYDYSJJVFAX-IADYIPOJSA-N 0 2 526.633 6.671 40 30 KKEBLN CCCCCCCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O ZINC000408538544 572198700 /nfs/dbraw/zinc/19/87/00/572198700.db2.gz OPAWUIKMHVSODU-RCCKNPSSSA-N 0 2 547.877 6.817 40 30 KKEBLN CCCCCCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000408538726 572199631 /nfs/dbraw/zinc/19/96/31/572199631.db2.gz PTYXZDJPMOFXPS-RGEXLXHISA-N 0 2 519.425 6.408 40 30 KKEBLN CCCCCCCCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000408539070 572200573 /nfs/dbraw/zinc/20/05/73/572200573.db2.gz SKZJOIGHPPOMCT-RGEXLXHISA-N 0 2 523.844 7.053 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCCC)c(OCC)c3)C2=O)cc1Br ZINC000408539602 572202886 /nfs/dbraw/zinc/20/28/86/572202886.db2.gz INKZCCISLORYJC-CJLVFECKSA-N 0 2 680.434 7.805 40 30 KKEBLN CCCCCCCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1OCC ZINC000408539700 572203385 /nfs/dbraw/zinc/20/33/85/572203385.db2.gz YBRRZQAPRXIHFE-LYBHJNIJSA-N 0 2 508.615 5.890 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC ZINC000408539908 572203713 /nfs/dbraw/zinc/20/37/13/572203713.db2.gz ZXGYUOLTMOUYBN-UYRXBGFRSA-N 0 2 612.348 7.560 40 30 KKEBLN CCCCCCCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Br ZINC000408541192 572207935 /nfs/dbraw/zinc/20/79/35/572207935.db2.gz YHNQSZORBRPSTL-RGEXLXHISA-N 0 2 578.301 6.617 40 30 KKEBLN N#Cc1ccccc1COc1c(Cl)cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc1Cl ZINC000408565223 572252087 /nfs/dbraw/zinc/25/20/87/572252087.db2.gz IZEPNUGVZFYYME-ONRXEWETSA-N 0 2 549.414 5.499 40 30 KKEBLN