smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](NC(=O)N1CCC[C@H]1Cc1ccccc1Cl)c1ccncc1 ZINC000056552290 1032087314 /nfs/dbraw/zinc/08/73/14/1032087314.db2.gz KFAWZYDRUKFMSJ-YOEHRIQHSA-N 0 0 343.858 4.213 10 0 EIAERN Cc1cc(C(=O)N[C@H](c2ccccc2)c2ccncc2)c(C)n1C1CC1 ZINC000060927075 1032132756 /nfs/dbraw/zinc/13/27/56/1032132756.db2.gz FBVPAVOPNKIWLN-OAQYLSRUSA-N 0 0 345.446 4.354 10 0 EIAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Nc1cc(Cl)ccc1C ZINC000114566114 1022174104 /nfs/dbraw/zinc/17/41/04/1022174104.db2.gz YIEWVAQXRXMZOB-INIZCTEOSA-N 0 0 346.862 4.368 10 0 EIAERN CC(=O)Nc1ccc(NC(=O)N2CC[C@H](C)C[C@@H](C)C2)c(Cl)c1 ZINC000121428456 1025219755 /nfs/dbraw/zinc/21/97/55/1025219755.db2.gz NHJYKGQSYBAQDE-NWDGAFQWSA-N 0 0 337.851 4.198 10 0 EIAERN C[C@@H](c1ccco1)N(C)C(=O)CCc1ncc(-c2ccc(F)cc2)o1 ZINC000074521004 1027005836 /nfs/dbraw/zinc/00/58/36/1027005836.db2.gz BLFLNQSUASYWKZ-ZDUSSCGKSA-N 0 0 342.370 4.226 10 0 EIAERN O=C(Nc1nc2ccccc2s1)N1CCC[C@@H](c2nccs2)C1 ZINC000114777505 1029516263 /nfs/dbraw/zinc/51/62/63/1029516263.db2.gz SLFFTOSWTYATMV-LLVKDONJSA-N 0 0 344.465 4.164 10 0 EIAERN CC(C)Oc1ccc(NC(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000114809717 1029621196 /nfs/dbraw/zinc/62/11/96/1029621196.db2.gz KJGPOYMPDHYHQA-AWEZNQCLSA-N 0 0 345.468 4.342 10 0 EIAERN COc1ccc(CCCC(=O)N2CC=C(c3cccs3)CC2)cc1 ZINC000117719919 1031207750 /nfs/dbraw/zinc/20/77/50/1031207750.db2.gz XUVKDOMEQUKOSQ-UHFFFAOYSA-N 0 0 341.476 4.395 10 0 EIAERN CC(C)(C)c1nc(CC(=O)N2CC=C(c3cccs3)CC2)cs1 ZINC000117720607 1031208300 /nfs/dbraw/zinc/20/83/00/1031208300.db2.gz NGLLFMVRPNENIF-UHFFFAOYSA-N 0 0 346.521 4.361 10 0 EIAERN O=C(CCC(=O)N1CC=C(c2cccs2)CC1)c1ccc(F)cc1 ZINC000117857660 1031261768 /nfs/dbraw/zinc/26/17/68/1031261768.db2.gz YZWIROCUFAAIMK-UHFFFAOYSA-N 0 0 343.423 4.166 10 0 EIAERN Cc1csc(C2CCN(C(=O)[C@H](C)Cc3ccccc3)CC2)n1 ZINC000112045700 1031339390 /nfs/dbraw/zinc/33/93/90/1031339390.db2.gz NSPBUFOQHMUBCY-CQSZACIVSA-N 0 0 328.481 4.036 10 0 EIAERN CCC[C@H](C)C(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218896 1031359004 /nfs/dbraw/zinc/35/90/04/1031359004.db2.gz HWVXWWTZJZTKQW-RDJZCZTQSA-N 0 0 325.456 4.219 10 0 EIAERN CC(C)[C@@H](C)NC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113578126 1031360367 /nfs/dbraw/zinc/36/03/67/1031360367.db2.gz IQXQKCYFYJKMFV-WBVHZDCISA-N 0 0 340.471 4.010 10 0 EIAERN O=C(Nc1cccc(C(F)F)c1)N1CCC[C@H](c2nccs2)C1 ZINC000114813695 1031373726 /nfs/dbraw/zinc/37/37/26/1031373726.db2.gz QXHCKWKHVJIZLO-LBPRGKRZSA-N 0 0 337.395 4.492 10 0 EIAERN Cc1cccc([C@@H](C)NC(=O)N2CCC[C@H](c3nccs3)C2)c1C ZINC000115858709 1031382158 /nfs/dbraw/zinc/38/21/58/1031382158.db2.gz JWXRPARCRXVUIP-CVEARBPZSA-N 0 0 343.496 4.410 10 0 EIAERN CCc1c(C(=O)N2CC=C(c3cccs3)CC2)[nH]c(C)c1C(C)=O ZINC000117724212 1031395587 /nfs/dbraw/zinc/39/55/87/1031395587.db2.gz OJKVXFKOIQGZMN-UHFFFAOYSA-N 0 0 342.464 4.079 10 0 EIAERN CCc1nc([C@@H](C)NC(=O)N2CC=C(c3cccs3)CC2)cs1 ZINC000117966917 1031399188 /nfs/dbraw/zinc/39/91/88/1031399188.db2.gz RHVICBKLPJRGDL-GFCCVEGCSA-N 0 0 347.509 4.327 10 0 EIAERN Cc1noc(C2CC2)c1NC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000129447802 1031796997 /nfs/dbraw/zinc/79/69/97/1031796997.db2.gz UYSFCDKMUSRFLJ-UHFFFAOYSA-N 0 0 341.386 4.321 10 0 EIAERN CC[C@H](NC(=O)Cc1coc(-c2ccc(F)cc2)n1)c1cccs1 ZINC000113034079 1034149327 /nfs/dbraw/zinc/14/93/27/1034149327.db2.gz AWIWACNJPTWXFE-HNNXBMFYSA-N 0 0 344.411 4.352 10 0 EIAERN Cc1ccc(-c2ccncc2)cc1NC(=O)C[C@@H](O)c1ccccc1 ZINC000091437263 1039369710 /nfs/dbraw/zinc/36/97/10/1039369710.db2.gz PITQXEGZVZHTDF-HXUWFJFHSA-N 0 0 332.403 4.119 10 0 EIAERN O=C(C[C@H]1C=CCC1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113219095 1043287864 /nfs/dbraw/zinc/28/78/64/1043287864.db2.gz UHSDLFUMKVMPBF-WMZOPIPTSA-N 0 0 335.451 4.139 10 0 EIAERN Cc1ccccc1C(C)(C)C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000067046811 1045737350 /nfs/dbraw/zinc/73/73/50/1045737350.db2.gz NYNVTPTYRSDXSK-OAHLLOKOSA-N 0 0 328.481 4.135 10 0 EIAERN C[C@H](CC(=O)N1CCC[C@H](c2nccs2)C1)c1ccccc1F ZINC000067046735 1045737391 /nfs/dbraw/zinc/73/73/91/1045737391.db2.gz BEOYOHMRYRYKHI-KGLIPLIRSA-N 0 0 332.444 4.182 10 0 EIAERN CCOc1ccc([C@@H]2CCCN2C(=O)[C@@]2(C)CC2(Cl)Cl)cc1 ZINC000071054051 1045776123 /nfs/dbraw/zinc/77/61/23/1045776123.db2.gz SVTBLXZFFFEPAO-GOEBONIOSA-N 0 0 342.266 4.333 10 0 EIAERN O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1nccs1 ZINC000074909316 1045821065 /nfs/dbraw/zinc/82/10/65/1045821065.db2.gz UFDCRXLXAJESGN-GFCCVEGCSA-N 0 0 326.343 4.139 10 0 EIAERN C[C@H](Oc1cccc(C=O)c1)C(=O)N1CCCCC[C@H]1c1ccco1 ZINC000076651415 1045900441 /nfs/dbraw/zinc/90/04/41/1045900441.db2.gz PLHVLCOJLVQTGO-YJBOKZPZSA-N 0 0 341.407 4.003 10 0 EIAERN COC(=O)c1ccc(CNc2cc(Br)ccc2Cl)o1 ZINC000061690930 214671328 /nfs/dbraw/zinc/67/13/28/214671328.db2.gz HYGDJXCYTGEWPC-UHFFFAOYSA-N 0 0 344.592 4.094 10 0 EIAERN C[C@H](Cc1cc(C(=O)NC2CCCCCC2)on1)c1ccccc1 ZINC000011782839 201815434 /nfs/dbraw/zinc/81/54/34/201815434.db2.gz YMZTXIMTBCPHLM-OAHLLOKOSA-N 0 0 326.440 4.473 10 0 EIAERN Cc1ccc2c(c1)[nH]c(=S)n2Cc1ccccc1Br ZINC000104166637 219354893 /nfs/dbraw/zinc/35/48/93/219354893.db2.gz DMLLDGVQUJCUBA-UHFFFAOYSA-N 0 0 333.254 4.444 10 0 EIAERN COc1cc(Br)cc(C)c1N[C@@H](C)CC(C)(C)OC ZINC000037776839 202036644 /nfs/dbraw/zinc/03/66/44/202036644.db2.gz NYBBAWBQEBXEBA-NSHDSACASA-N 0 0 330.266 4.382 10 0 EIAERN Nc1ncc(C(F)(F)F)cc1Nc1ccccc1Br ZINC000020318301 202037503 /nfs/dbraw/zinc/03/75/03/202037503.db2.gz LXINNXNROMHJBN-UHFFFAOYSA-N 0 0 332.123 4.189 10 0 EIAERN CCOc1c(Br)cc(Cl)cc1N[C@@H](C)c1cc[nH]n1 ZINC000037907513 202060488 /nfs/dbraw/zinc/06/04/88/202060488.db2.gz MFPVJHLCTVJHIB-QMMMGPOBSA-N 0 0 344.640 4.397 10 0 EIAERN COc1cccc([C@@H](CC(=O)N2CCc3ccccc32)n2cccc2)c1 ZINC000020998385 202060617 /nfs/dbraw/zinc/06/06/17/202060617.db2.gz SUHROYWIGYDSEU-OAQYLSRUSA-N 0 0 346.430 4.066 10 0 EIAERN Cc1ccc(Nc2c3[nH]cccc-3c(=O)n2Cc2ccccc2)c(C)c1 ZINC000021107680 202062268 /nfs/dbraw/zinc/06/22/68/202062268.db2.gz JAPGAGKSEZJAED-NRFANRHFSA-N 0 0 343.430 4.465 10 0 EIAERN Cc1cc(Cl)cc2c3c([nH]c21)CC[C@H](NC(=O)C[C@H]1C=CCC1)C3 ZINC000022336942 202083448 /nfs/dbraw/zinc/08/34/48/202083448.db2.gz SXJARINCQACJNL-ZFWWWQNUSA-N 0 0 342.870 4.460 10 0 EIAERN Fc1ccc(Br)c(CN[C@H]2CCOc3ccccc32)c1 ZINC000038039018 202092614 /nfs/dbraw/zinc/09/26/14/202092614.db2.gz OKMRVAJGBQAIFE-HNNXBMFYSA-N 0 0 336.204 4.202 10 0 EIAERN C[C@H](NC(=O)[C@H](C)Oc1ccccc1)c1ccccc1Br ZINC000023526112 202106054 /nfs/dbraw/zinc/10/60/54/202106054.db2.gz KYIDJCPKSXKUHD-STQMWFEESA-N 0 0 348.240 4.094 10 0 EIAERN COc1cccc(C(=O)N[C@@](C)(C(=O)c2ccccc2)C(C)C)c1C ZINC000027524748 202156349 /nfs/dbraw/zinc/15/63/49/202156349.db2.gz YMOLKXDZLSSLGZ-OAQYLSRUSA-N 0 0 339.435 4.031 10 0 EIAERN COc1cc2c(cc1OC)[C@@H](CC(=O)Nc1ccc(C)cc1)CC2 ZINC000028826644 202177740 /nfs/dbraw/zinc/17/77/40/202177740.db2.gz LNGZONZMVAZXNS-OAHLLOKOSA-N 0 0 325.408 4.071 10 0 EIAERN COc1ccc2c(c1)nc(C(F)(F)F)nc2N(C)C1CCCCC1 ZINC000032545301 202227088 /nfs/dbraw/zinc/22/70/88/202227088.db2.gz MFTZYXIDQWTZLT-UHFFFAOYSA-N 0 0 339.361 4.426 10 0 EIAERN COc1ccc2c(c1)ncnc2Nc1ccc(Cc2ccncc2)cc1 ZINC000032544542 202227779 /nfs/dbraw/zinc/22/77/79/202227779.db2.gz KOVDAYYDPUSDEC-UHFFFAOYSA-N 0 0 342.402 4.368 10 0 EIAERN Nc1nc(NCc2ccccc2)nc(-c2cccc(Cl)c2Cl)n1 ZINC000032558406 202227896 /nfs/dbraw/zinc/22/78/96/202227896.db2.gz VYUZYSPOGYKLGE-UHFFFAOYSA-N 0 0 346.221 4.040 10 0 EIAERN Cc1ccc(C)c(OCC(=O)Nc2cc(C)nc3ccc(F)cc32)c1 ZINC000032607107 202228364 /nfs/dbraw/zinc/22/83/64/202228364.db2.gz PZEHCUVGYFNBRA-UHFFFAOYSA-N 0 0 338.382 4.317 10 0 EIAERN CCn1c(C)cc(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccc21 ZINC000032605757 202229293 /nfs/dbraw/zinc/22/92/93/202229293.db2.gz KOQWBKGPWZFKBG-UHFFFAOYSA-N 0 0 340.810 4.236 10 0 EIAERN COc1cc2c(c(OC)c1)C(=O)O[C@H](C)CCCC(=O)CCC/C=C/2 ZINC000032251939 202222691 /nfs/dbraw/zinc/22/26/91/202222691.db2.gz MYILAUURZUNHGP-VZUFXWRPSA-N 0 0 346.423 4.186 10 0 EIAERN Cc1ccc(Nc2c3[nH]cccc-3c(=O)n2Cc2ccccc2)cc1C ZINC000033072282 202249136 /nfs/dbraw/zinc/24/91/36/202249136.db2.gz SKWIGPGBBYPBCF-OAQYLSRUSA-N 0 0 343.430 4.465 10 0 EIAERN Oc1ccccc1-c1nnc(C=Cc2ccc(Br)cc2)[nH]1 ZINC000033249015 202253175 /nfs/dbraw/zinc/25/31/75/202253175.db2.gz YTXGMWJOVHBVPJ-YFHOEESVSA-N 0 0 342.196 4.110 10 0 EIAERN CCc1ccc(OCC(=O)c2ccc(Br)s2)cc1 ZINC000035182916 213013292 /nfs/dbraw/zinc/01/32/92/213013292.db2.gz NUXBDYYBNYFGJQ-UHFFFAOYSA-N 0 0 325.227 4.335 10 0 EIAERN COC(=O)c1cc(Br)cc(Cl)c1NCCC(C)C ZINC000033494798 202262569 /nfs/dbraw/zinc/26/25/69/202262569.db2.gz STLMZIHOYNWDHT-UHFFFAOYSA-N 0 0 334.641 4.347 10 0 EIAERN CN(C)c1cccc(OCc2noc(-c3cccc(Cl)c3)n2)c1 ZINC000034907064 202280021 /nfs/dbraw/zinc/28/00/21/202280021.db2.gz ZZABKZNBDFKWRF-UHFFFAOYSA-N 0 0 329.787 4.035 10 0 EIAERN Cn1cc(CNc2c(Cl)cc(Br)cc2Cl)cn1 ZINC000034958066 202282507 /nfs/dbraw/zinc/28/25/07/202282507.db2.gz OJAPIGZOIZZZPH-UHFFFAOYSA-N 0 0 335.032 4.102 10 0 EIAERN Cc1ccc(NCc2ccccc2F)cc1I ZINC000035041810 202284485 /nfs/dbraw/zinc/28/44/85/202284485.db2.gz OLPKSTWJOAQECF-UHFFFAOYSA-N 0 0 341.167 4.351 10 0 EIAERN CCCCCCn1c(CCCCCNC(C)=O)nc2ccccc21 ZINC000035146600 202288759 /nfs/dbraw/zinc/28/87/59/202288759.db2.gz QTFGWIZQPUBMNL-UHFFFAOYSA-N 0 0 329.488 4.466 10 0 EIAERN CN[C@H](c1ccco1)c1cc(Cl)cc(Br)c1OC ZINC000035457942 202304359 /nfs/dbraw/zinc/30/43/59/202304359.db2.gz KBNPYXBCEJWNPF-LBPRGKRZSA-N 0 0 330.609 4.013 10 0 EIAERN CN[C@@H](c1ccco1)c1cc(Cl)cc(Br)c1OC ZINC000035457938 202304774 /nfs/dbraw/zinc/30/47/74/202304774.db2.gz KBNPYXBCEJWNPF-GFCCVEGCSA-N 0 0 330.609 4.013 10 0 EIAERN CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)c1ccc(Br)s1)C2 ZINC000070134461 202308052 /nfs/dbraw/zinc/30/80/52/202308052.db2.gz VSGAWKPLISMOEQ-OSQNNJELSA-N 0 0 342.302 4.455 10 0 EIAERN CCCc1nc2ccccc2n1CC(=O)Nc1ccccc1Cl ZINC000040295722 202309404 /nfs/dbraw/zinc/30/94/04/202309404.db2.gz CYNAGGZHXGDIAV-UHFFFAOYSA-N 0 0 327.815 4.281 10 0 EIAERN CC(C)C(=O)N(Cc1csc(COc2ccccc2)n1)C(C)C ZINC000035741748 202309919 /nfs/dbraw/zinc/30/99/19/202309919.db2.gz KMUQFXURDJGXDH-UHFFFAOYSA-N 0 0 332.469 4.115 10 0 EIAERN CCOc1ccc([C@@H]2c3cccn3CCCN2Cc2ccccn2)cc1 ZINC000037523521 202345440 /nfs/dbraw/zinc/34/54/40/202345440.db2.gz RXPLJJKKWJUJKD-JOCHJYFZSA-N 0 0 347.462 4.277 10 0 EIAERN COc1cccc(-c2nc(Br)c(Br)s2)c1 ZINC000072192872 202365260 /nfs/dbraw/zinc/36/52/60/202365260.db2.gz FNGRLACUFHLALJ-UHFFFAOYSA-N 0 0 349.047 4.344 10 0 EIAERN COc1ccc(C(=O)c2cc(C)sc2C)cc1Br ZINC000038073984 202391468 /nfs/dbraw/zinc/39/14/68/202391468.db2.gz VQWSCKHSKZQFTP-UHFFFAOYSA-N 0 0 325.227 4.367 10 0 EIAERN CCc1ccccc1NC(=O)c1cn(C)c2c(Cl)cccc2c1=O ZINC000039962959 202417239 /nfs/dbraw/zinc/41/72/39/202417239.db2.gz RJOGDEQXNFAWMR-UHFFFAOYSA-N 0 0 340.810 4.007 10 0 EIAERN CCCC(=O)NCc1nc2ccccc2n1Cc1c(C)cc(C)cc1C ZINC000040189162 202428659 /nfs/dbraw/zinc/42/86/59/202428659.db2.gz TYNZYNICDVLGGY-UHFFFAOYSA-N 0 0 349.478 4.426 10 0 EIAERN Cc1ccc(Nc2ncnc(Sc3ccc(Cl)cc3)c2N)nc1 ZINC000040723101 202459916 /nfs/dbraw/zinc/45/99/16/202459916.db2.gz WNCFTKXFGVJKSU-UHFFFAOYSA-N 0 0 343.843 4.310 10 0 EIAERN Cc1nc(Nc2ncnc(Nc3ccc(Cl)cc3)c2N)sc1C ZINC000040782138 202463986 /nfs/dbraw/zinc/46/39/86/202463986.db2.gz BZLOKMXCTKQIHM-UHFFFAOYSA-N 0 0 346.847 4.273 10 0 EIAERN Cc1ccc(Oc2ncnc(NCc3ccc(Cl)cc3)c2N)cc1 ZINC000040784046 202464018 /nfs/dbraw/zinc/46/40/18/202464018.db2.gz MVPANMGTNYXFPI-UHFFFAOYSA-N 0 0 340.814 4.425 10 0 EIAERN COc1ccc(Br)cc1/C=C/C(=O)Oc1ccccc1 ZINC000040948797 202468867 /nfs/dbraw/zinc/46/88/67/202468867.db2.gz KPVRMCLAXDOFGM-JXMROGBWSA-N 0 0 333.181 4.077 10 0 EIAERN COc1cccc(Nc2ncnc(Nc3ccc(Cl)cc3)c2N)c1 ZINC000040688049 202458282 /nfs/dbraw/zinc/45/82/82/202458282.db2.gz OMOASSVTUSFQPH-UHFFFAOYSA-N 0 0 341.802 4.208 10 0 EIAERN Nc1c(NCCC2=CCCCC2)ncnc1N1CCc2ccccc21 ZINC000040687330 202458557 /nfs/dbraw/zinc/45/85/57/202458557.db2.gz CQTLQGPDHZUDSX-UHFFFAOYSA-N 0 0 335.455 4.055 10 0 EIAERN CCOC(=O)c1ccc(NC(=O)Oc2cccc3cccnc32)cc1 ZINC000027745832 212576525 /nfs/dbraw/zinc/57/65/25/212576525.db2.gz YVWFJERVWOOKKT-UHFFFAOYSA-N 0 0 336.347 4.022 10 0 EIAERN CN(C(=O)C(F)(F)F)c1ccc(-c2nc3ccccc3s2)cc1 ZINC000226280913 201037208 /nfs/dbraw/zinc/03/72/08/201037208.db2.gz VEYWTBYJQDRLSW-UHFFFAOYSA-N 0 0 336.338 4.488 10 0 EIAERN Cc1ccc(-c2nc3cc(N(C)C(=O)C(F)(F)F)ccc3o2)cc1 ZINC000226269303 201037638 /nfs/dbraw/zinc/03/76/38/201037638.db2.gz ZJCSHHVMGGPWFW-UHFFFAOYSA-N 0 0 334.297 4.328 10 0 EIAERN CCCCN1C(=O)[C@@H](c2ccccc2)N(c2ccc(OC)cc2)C1=O ZINC000090442261 201371301 /nfs/dbraw/zinc/37/13/01/201371301.db2.gz DKAYNDKVSOKOKV-GOSISDBHSA-N 0 0 338.407 4.005 10 0 EIAERN O=C(NCCc1coc2ccccc12)c1ccccc1C(F)(F)F ZINC000090624377 201371328 /nfs/dbraw/zinc/37/13/28/201371328.db2.gz MVNBQGBBRJUMLV-UHFFFAOYSA-N 0 0 333.309 4.424 10 0 EIAERN COc1ccc([C@H]2CC(=O)c3ccc(Br)cc3N2)cc1 ZINC000090547402 201371435 /nfs/dbraw/zinc/37/14/35/201371435.db2.gz RDOPFTYMEFUCGU-CQSZACIVSA-N 0 0 332.197 4.197 10 0 EIAERN C[C@H](c1cc(=O)[nH]c(SC2CCCC2)n1)c1c(F)cccc1F ZINC000000024485 201357509 /nfs/dbraw/zinc/35/75/09/201357509.db2.gz CHBMGMAGCOPBHF-SNVBAGLBSA-N 0 0 336.407 4.235 10 0 EIAERN c1ccc(CNc2nnc(Cc3ccncc3)c3ccccc32)cc1 ZINC000000017389 201358091 /nfs/dbraw/zinc/35/80/91/201358091.db2.gz FOZIFOSSSDWNSN-UHFFFAOYSA-N 0 0 326.403 4.228 10 0 EIAERN CCCN(CCC)C(=O)c1ccc(NC(=O)N[C@H](C)C(C)C)cc1 ZINC000047599113 202583502 /nfs/dbraw/zinc/58/35/02/202583502.db2.gz IYJZWDJCZFKCRK-OAHLLOKOSA-N 0 0 333.476 4.115 10 0 EIAERN Cc1cc([C@@H](CO)Nc2ccccc2Br)c(C)s1 ZINC000049688052 202626768 /nfs/dbraw/zinc/62/67/68/202626768.db2.gz UTUHZXOCZYSATF-CQSZACIVSA-N 0 0 326.259 4.273 10 0 EIAERN COC[C@H](C)Nc1cc(Cl)cc(Br)c1OC(F)F ZINC000053173437 202655672 /nfs/dbraw/zinc/65/56/72/202655672.db2.gz AHNXAVWDTLFVNO-LURJTMIESA-N 0 0 344.583 4.151 10 0 EIAERN COc1ccc(C=C2SC(=O)N=C2Nc2ccccc2)c(OC)c1 ZINC000000084124 201431767 /nfs/dbraw/zinc/43/17/67/201431767.db2.gz SEVJZOXAYATVDK-MHWRWJLKSA-N 0 0 340.404 4.422 10 0 EIAERN O=c1c(Cc2ccccc2)cn(C2CC2)c2c(F)c(F)c(F)cc12 ZINC000211701578 241083594 /nfs/dbraw/zinc/08/35/94/241083594.db2.gz QQNHXOVIPAUFKV-UHFFFAOYSA-N 0 0 329.321 4.345 10 0 EIAERN O=[S@](Cc1nnsc1Cl)C(c1ccccc1)c1ccccc1 ZINC000066298028 202883877 /nfs/dbraw/zinc/88/38/77/202883877.db2.gz GBKRTXBVVINPFJ-QFIPXVFZSA-N 0 0 348.880 4.230 10 0 EIAERN O=Cc1c(Cl)n(Cc2ccc(Br)cc2)nc1C(F)F ZINC000071194250 203087619 /nfs/dbraw/zinc/08/76/19/203087619.db2.gz AQMWWMLWSGDUHM-UHFFFAOYSA-N 0 0 349.562 4.097 10 0 EIAERN O=C(NCC12CC3CC(CC(C3)C1)C2)Nc1ccc(F)c(F)c1F ZINC000072114615 203163601 /nfs/dbraw/zinc/16/36/01/203163601.db2.gz RXPJZNUJTIRQRD-UHFFFAOYSA-N 0 0 338.373 4.442 10 0 EIAERN O=C(c1ccccc1CCc1ccccc1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000071933775 203153713 /nfs/dbraw/zinc/15/37/13/203153713.db2.gz UEPSEVKUAWKLEM-VXKWHMMOSA-N 0 0 349.474 4.255 10 0 EIAERN Cc1cc2c(nc(-c3cccnc3)nc2NCCCOC(C)C)s1 ZINC000072260786 203185075 /nfs/dbraw/zinc/18/50/75/203185075.db2.gz FIFQOEKSBAZUNX-UHFFFAOYSA-N 0 0 342.468 4.289 10 0 EIAERN Cc1cc(C)cc(NC(=O)c2ccc(-c3ccc(F)cc3)[nH]c2=O)c1 ZINC000072450944 203226675 /nfs/dbraw/zinc/22/66/75/203226675.db2.gz KLILQWCAFORLPH-UHFFFAOYSA-N 0 0 336.366 4.050 10 0 EIAERN COCc1nn2c(ncc3c2CCCC3)c1-c1cccc(Cl)c1 ZINC000072451762 203227242 /nfs/dbraw/zinc/22/72/42/203227242.db2.gz GJLKRGOUTIWNSL-UHFFFAOYSA-N 0 0 327.815 4.075 10 0 EIAERN O=C(NCc1c[nH]nc1-c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000075344393 203312468 /nfs/dbraw/zinc/31/24/68/203312468.db2.gz NFGFHIBJUXAUGK-UHFFFAOYSA-N 0 0 345.324 4.026 10 0 EIAERN COc1ccc(CNc2ccc(C)cc2Br)c(OC)c1 ZINC000019901556 212080885 /nfs/dbraw/zinc/08/08/85/212080885.db2.gz KWBLMUPORUPHHO-UHFFFAOYSA-N 0 0 336.229 4.387 10 0 EIAERN Cc1nc([C@H](C)N(C)C(=O)c2cc(-c3ccccc3)on2)c(C)s1 ZINC000077454065 203389643 /nfs/dbraw/zinc/38/96/43/203389643.db2.gz VXZZFJATOIUDAF-NSHDSACASA-N 0 0 341.436 4.248 10 0 EIAERN CC(C)(C)OC(=O)N1CCC[C@H](CSCc2cncs2)C1 ZINC000085333370 203542982 /nfs/dbraw/zinc/54/29/82/203542982.db2.gz JDSFWJCVYXLGHW-LBPRGKRZSA-N 0 0 328.503 4.023 10 0 EIAERN O=C(c1ccc(I)cc1)c1cccc2cc[nH]c21 ZINC000089209205 203570242 /nfs/dbraw/zinc/57/02/42/203570242.db2.gz WAPOHGFWTYQPNX-UHFFFAOYSA-N 0 0 347.155 4.004 10 0 EIAERN Nc1ccc(Cl)cc1NC(=O)c1cc(Br)ccc1F ZINC000019478497 212031525 /nfs/dbraw/zinc/03/15/25/212031525.db2.gz UJOSNTGXTUKRDT-UHFFFAOYSA-N 0 0 343.583 4.076 10 0 EIAERN CC(C)(C)OC(=O)N1CCC[C@@H]1COc1nc2ccccc2s1 ZINC000095085919 203711710 /nfs/dbraw/zinc/71/17/10/203711710.db2.gz CUAHWBZSGRWBRK-GFCCVEGCSA-N 0 0 334.441 4.075 10 0 EIAERN CSc1nnc(S[C@@H](C)C(=O)c2cccc(Cl)c2)s1 ZINC000095080857 203711948 /nfs/dbraw/zinc/71/19/48/203711948.db2.gz JSQQHYLFVGECNC-ZETCQYMHSA-N 0 0 330.887 4.277 10 0 EIAERN CC(C)c1nnc(Cl)n1-c1ccc(Br)cc1Cl ZINC000103919697 204089093 /nfs/dbraw/zinc/08/90/93/204089093.db2.gz GYEYNIPRRPVBTF-UHFFFAOYSA-N 0 0 335.032 4.460 10 0 EIAERN C[C@@H](NC(=O)CCc1ccccc1)c1cccc(Br)c1 ZINC000042353097 204090970 /nfs/dbraw/zinc/09/09/70/204090970.db2.gz QKWLAIQMAAGPAN-CYBMUJFWSA-N 0 0 332.241 4.259 10 0 EIAERN COc1cc(/C=C(/C)[C@@H](C)Cc2ccc(O)c(OC)c2)ccc1O ZINC000049181298 204372165 /nfs/dbraw/zinc/37/21/65/204372165.db2.gz OPAORDVBZRVVNQ-XXYUJHKVSA-N 0 0 328.408 4.397 10 0 EIAERN CC(C)N(c1ccc(N)cc1C(=O)N1C[C@H](C)C[C@H](C)C1)C(C)C ZINC000226323556 205129414 /nfs/dbraw/zinc/12/94/14/205129414.db2.gz CNRIYIYOCYWCKV-IYBDPMFKSA-N 0 0 331.504 4.010 10 0 EIAERN Cc1cc(N)c(NC(=O)c2ccccc2F)cc1N1CCC(C)CC1 ZINC000226329963 205129573 /nfs/dbraw/zinc/12/95/73/205129573.db2.gz LIHSEYTVHVWSHY-UHFFFAOYSA-N 0 0 341.430 4.205 10 0 EIAERN CN(C(=O)c1ccc(-c2ccc(Cl)c(N)c2)o1)c1ccccc1 ZINC000226304111 205123894 /nfs/dbraw/zinc/12/38/94/205123894.db2.gz JRVCCGNVWWZOSO-UHFFFAOYSA-N 0 0 326.783 4.459 10 0 EIAERN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(-c3ccc(N)cc3Cl)o2)C1 ZINC000226301640 205125015 /nfs/dbraw/zinc/12/50/15/205125015.db2.gz CVCZAYSILQJSHN-TXEJJXNPSA-N 0 0 332.831 4.300 10 0 EIAERN C[C@H]1CCCCN1c1c(Br)cc(N)cc1Br ZINC000226316521 205125892 /nfs/dbraw/zinc/12/58/92/205125892.db2.gz XGNRYEQEUDGFAI-QMMMGPOBSA-N 0 0 348.082 4.173 10 0 EIAERN Cc1cc(N)c(NC(=O)c2ccc(F)cc2)cc1N1CCCC[C@@H]1C ZINC000226330373 205128983 /nfs/dbraw/zinc/12/89/83/205128983.db2.gz ALRAXQBCTNEBDX-AWEZNQCLSA-N 0 0 341.430 4.347 10 0 EIAERN COc1ccc(Cl)cc1C(=O)Nc1c(C)cc(N)cc1Cl ZINC000226763096 205153650 /nfs/dbraw/zinc/15/36/50/205153650.db2.gz AJNKHOOEWBILBF-UHFFFAOYSA-N 0 0 325.195 4.145 10 0 EIAERN O=C(CSc1ccc(Cl)cc1)n1nnc2cccc(Cl)c21 ZINC000226359697 205132401 /nfs/dbraw/zinc/13/24/01/205132401.db2.gz AVTXNVSDJBRKBL-UHFFFAOYSA-N 0 0 338.219 4.171 10 0 EIAERN Cc1cccc(NS(=O)(=O)c2ccc3c4c(cccc42)CC3)c1C ZINC000226861704 205161342 /nfs/dbraw/zinc/16/13/42/205161342.db2.gz WIJGOBNNQIHNPO-UHFFFAOYSA-N 0 0 337.444 4.356 10 0 EIAERN Cc1ccc(C)c(NS(=O)(=O)c2ccc3c4c(cccc42)CC3)c1 ZINC000226861366 205161940 /nfs/dbraw/zinc/16/19/40/205161940.db2.gz SGYCIUSIAOKVRM-UHFFFAOYSA-N 0 0 337.444 4.356 10 0 EIAERN O=P(Oc1ccccc1)(Oc1ccccc1)c1cc(O)ccc1O ZINC000169467278 206555040 /nfs/dbraw/zinc/55/50/40/206555040.db2.gz WFMPRKNGEWHZAK-UHFFFAOYSA-N 0 0 342.287 4.074 10 0 EIAERN Cc1cccnc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000005936201 210562906 /nfs/dbraw/zinc/56/29/06/210562906.db2.gz UAAQGAKKVNKKGI-SNVBAGLBSA-N 0 0 325.195 4.103 10 0 EIAERN C[C@@H](NC(=O)c1cnc(Cl)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000014575512 207771520 /nfs/dbraw/zinc/77/15/20/207771520.db2.gz NGOOHEHWNCIUAM-SSDOTTSWSA-N 0 0 331.149 4.158 10 0 EIAERN Nc1ccc2c(c1)N(C(=O)c1cc(Cl)ccc1Cl)CCS2 ZINC000038051172 132396624 /nfs/dbraw/zinc/39/66/24/132396624.db2.gz AVDKHXVZXMJKOL-UHFFFAOYSA-N 0 0 339.247 4.328 10 0 EIAERN C[C@H]1CCCCN1c1ccc(NC(=O)c2ccccc2F)cc1N ZINC000226266064 135593150 /nfs/dbraw/zinc/59/31/50/135593150.db2.gz CQZYIAAIGUNXPK-ZDUSSCGKSA-N 0 0 327.403 4.039 10 0 EIAERN Oc1ccc(N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000035080364 526351384 /nfs/dbraw/zinc/35/13/84/526351384.db2.gz DAQZDTIIIPKVFW-UHFFFAOYSA-N 0 0 337.341 4.459 10 0 EIAERN COc1ccc(NC(=O)/C=C/c2cc(Cl)c(OC)c(OC)c2)cc1 ZINC000007652215 563609075 /nfs/dbraw/zinc/60/90/75/563609075.db2.gz FUAHYCRAEGHVTA-RUDMXATFSA-N 0 0 347.798 4.018 10 0 EIAERN Cc1noc(C)c1CNC(=O)Nc1c(Cl)cc(C)c2ncccc21 ZINC000072290967 563909100 /nfs/dbraw/zinc/90/91/00/563909100.db2.gz SRKSSBCMDPLRKA-UHFFFAOYSA-N 0 0 344.802 4.123 10 0 EIAERN CC(C)c1csc(-c2ccc(CNC(=O)c3cccnc3)cc2)n1 ZINC000097938131 563922866 /nfs/dbraw/zinc/92/28/66/563922866.db2.gz RXAJHXKISHMPLL-UHFFFAOYSA-N 0 0 337.448 4.259 10 0 EIAERN O=C([O-])c1c(-c2ccc(C(F)(F)F)cc2)coc1C1CC[NH2+]CC1 ZINC000725246820 563976157 /nfs/dbraw/zinc/97/61/57/563976157.db2.gz XZCZRZUASJEJFT-UHFFFAOYSA-N 0 0 339.313 4.131 10 0 EIAERN CC(C)(C)OC(=O)c1cc(Br)cc(Br)c1 ZINC000095080628 563976646 /nfs/dbraw/zinc/97/66/46/563976646.db2.gz HXZQNXYGSNXKBQ-UHFFFAOYSA-N 0 0 336.023 4.167 10 0 EIAERN CC(C)(C)OC(=O)N1CCc2[nH]c3ccc(C(F)(F)F)cc3c2C1 ZINC000097673610 563981786 /nfs/dbraw/zinc/98/17/86/563981786.db2.gz QOBCVKPDFCTKJD-UHFFFAOYSA-N 0 0 340.345 4.480 10 0 EIAERN CC(C)(C)OC(=O)N1CC2(CC2)Oc2c(Br)cccc21 ZINC000725260562 563984058 /nfs/dbraw/zinc/98/40/58/563984058.db2.gz SLDZBGUXYPLHSS-UHFFFAOYSA-N 0 0 340.217 4.116 10 0 EIAERN CC(C)(C)OC(=O)c1sc(C(C)(C)C)c(Br)c1N ZINC000725263711 563986457 /nfs/dbraw/zinc/98/64/57/563986457.db2.gz CBTCEJKUPFCAHF-UHFFFAOYSA-N 0 0 334.279 4.346 10 0 EIAERN CCc1ccc(-n2c(C)nc3cc(C(=O)N[C@@H](C)CC)ccc32)cc1 ZINC000000216232 563988683 /nfs/dbraw/zinc/98/86/83/563988683.db2.gz JSQIUZVWGJJARA-AWEZNQCLSA-N 0 0 335.451 4.425 10 0 EIAERN Cc1nccn1Cc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC000048546977 564031862 /nfs/dbraw/zinc/03/18/62/564031862.db2.gz UTSDSMGXZRWRRY-UHFFFAOYSA-N 0 0 325.799 4.146 10 0 EIAERN O=C(Nc1cnc(Oc2ccccc2F)nc1)Nc1ccccc1F ZINC000224291018 564042333 /nfs/dbraw/zinc/04/23/33/564042333.db2.gz JELLKJWZBSOAFE-UHFFFAOYSA-N 0 0 342.305 4.191 10 0 EIAERN Fc1cccc(-c2c(I)n[nH]c2C2CCC2)c1 ZINC000675076571 564113382 /nfs/dbraw/zinc/11/33/82/564113382.db2.gz PBSQZEQSCIUUAP-UHFFFAOYSA-N 0 0 342.155 4.088 10 0 EIAERN C[C@H]1CCCCN1c1ccc(N(C)C(=O)C(F)(F)F)cc1Cl ZINC000226275710 564117304 /nfs/dbraw/zinc/11/73/04/564117304.db2.gz AMGJUJPKMABJBZ-JTQLQIEISA-N 0 0 334.769 4.244 10 0 EIAERN COC(=O)c1ccc2c(c1)CC[C@@H]1CC(=O)CC[C@@]21Cc1ccccc1 ZINC000116898126 564129529 /nfs/dbraw/zinc/12/95/29/564129529.db2.gz OFQGKPKRSFOCKB-XXBNENTESA-N 0 0 348.442 4.269 10 0 EIAERN Cc1noc(C)c1[C@H](C)c1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1 ZINC000299744315 564150583 /nfs/dbraw/zinc/15/05/83/564150583.db2.gz OEOXQALBJZJIHR-XNJJOIOASA-N 0 0 339.395 4.071 10 0 EIAERN CCCCSCC(=O)c1ccc(I)cc1 ZINC000037351741 564177618 /nfs/dbraw/zinc/17/76/18/564177618.db2.gz VLFGHQBVXGCJEP-UHFFFAOYSA-N 0 0 334.222 4.007 10 0 EIAERN Cc1coc(-c2ccc(C)c(NC(=O)N[C@@H](C)c3ccncc3)c2)n1 ZINC000120864184 1032452422 /nfs/dbraw/zinc/45/24/22/1032452422.db2.gz QMNHYOVKMPCAOA-AWEZNQCLSA-N 0 0 336.395 4.236 10 0 EIAERN Cc1csc(C2CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)n1 ZINC000102646715 1022595905 /nfs/dbraw/zinc/59/59/05/1022595905.db2.gz JMFZDDUMHDTTGP-CQSZACIVSA-N 0 0 328.481 4.351 10 0 EIAERN CCOc1ccc([C@H]2CCCN2C(=O)N[C@H](C)c2nccs2)cc1 ZINC000106278833 1022858794 /nfs/dbraw/zinc/85/87/94/1022858794.db2.gz NCMSFLDTXNZXRH-CZUORRHYSA-N 0 0 345.468 4.150 10 0 EIAERN C[C@@H](CC1CC1)NC(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000112721322 1026699851 /nfs/dbraw/zinc/69/98/51/1026699851.db2.gz OVCXCRPOSJBICG-ZDUSSCGKSA-N 0 0 348.874 4.133 10 0 EIAERN O=C(Nc1ccc(Cl)cc1F)N1CCC[C@H](c2nccs2)C1 ZINC000114805122 1029613918 /nfs/dbraw/zinc/61/39/18/1029613918.db2.gz WPZLECBKRKBQAZ-JTQLQIEISA-N 0 0 339.823 4.347 10 0 EIAERN O=C([C@@H]1C[C@@H]1c1c(F)cccc1F)N1CC=C(c2cccs2)CC1 ZINC000117723946 1031210027 /nfs/dbraw/zinc/21/00/27/1031210027.db2.gz QXVWRIJOTWZHGQ-UONOGXRCSA-N 0 0 345.414 4.446 10 0 EIAERN COc1cc(C(=O)N2CC=C(c3cccs3)CC2)cc(OC)c1C ZINC000117723156 1031210614 /nfs/dbraw/zinc/21/06/14/1031210614.db2.gz HUHAYBMUBVRYIP-UHFFFAOYSA-N 0 0 343.448 4.003 10 0 EIAERN CSc1ccc(C)c(C(=O)Nc2cccc(-c3ncon3)c2)c1 ZINC000101525553 1031252934 /nfs/dbraw/zinc/25/29/34/1031252934.db2.gz ODGXTXWJKFLJRT-UHFFFAOYSA-N 0 0 325.393 4.019 10 0 EIAERN O=C(NCc1cccc2cccnc21)N1CC=C(c2cccs2)CC1 ZINC000117962822 1031398450 /nfs/dbraw/zinc/39/84/50/1031398450.db2.gz BOWKBUFHQZDMMC-UHFFFAOYSA-N 0 0 349.459 4.295 10 0 EIAERN O=C(Nc1cccc(NC(=O)[C@H]2C[C@@H]2c2ccco2)c1)c1ccccc1 ZINC000121794450 1031439445 /nfs/dbraw/zinc/43/94/45/1031439445.db2.gz FOSBGEOGXXZBNQ-ROUUACIJSA-N 0 0 346.386 4.274 10 0 EIAERN CCc1noc(C)c1NC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000127296266 1031686703 /nfs/dbraw/zinc/68/67/03/1031686703.db2.gz NVMKHUGAQCHZLP-UHFFFAOYSA-N 0 0 329.375 4.006 10 0 EIAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCC[C@H]2C2CCCC2)n1 ZINC000119303939 1031869024 /nfs/dbraw/zinc/86/90/24/1031869024.db2.gz ALVAVENRNMXYIL-HNNXBMFYSA-N 0 0 339.430 4.272 10 0 EIAERN CCc1ccc(CN[C@@H](c2ncon2)c2ccc(Cl)cc2)cc1 ZINC000090202250 1039201248 /nfs/dbraw/zinc/20/12/48/1039201248.db2.gz YWQRKPLDELXBGY-QGZVFWFLSA-N 0 0 327.815 4.165 10 0 EIAERN CCc1ccc(CN[C@H](c2ncon2)c2ccc(Cl)cc2)cc1 ZINC000090202249 1039201470 /nfs/dbraw/zinc/20/14/70/1039201470.db2.gz YWQRKPLDELXBGY-KRWDZBQOSA-N 0 0 327.815 4.165 10 0 EIAERN CCCC(=CC(=O)N[C@@H](c1noc(C)n1)c1ccccc1F)CCC ZINC000092392133 1039538840 /nfs/dbraw/zinc/53/88/40/1039538840.db2.gz NACGZOXDACIBRD-GOSISDBHSA-N 0 0 345.418 4.249 10 0 EIAERN O=C(Nc1ccc2c(c1)COC2)N[C@H]1CCCc2cc(F)ccc21 ZINC000092169073 1042832355 /nfs/dbraw/zinc/83/23/55/1042832355.db2.gz VDMFDPIMXYFSIU-SFHVURJKSA-N 0 0 326.371 4.055 10 0 EIAERN O=C(C[C@H]1C=CCC1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113219093 1043286631 /nfs/dbraw/zinc/28/66/31/1043286631.db2.gz UHSDLFUMKVMPBF-FUHWJXTLSA-N 0 0 335.451 4.139 10 0 EIAERN O=C(N1CCC[C@H](c2nccs2)C1)C1(c2cccc(Cl)c2)CC1 ZINC000067047568 1045735579 /nfs/dbraw/zinc/73/55/79/1045735579.db2.gz DTZYCINORYUEEO-ZDUSSCGKSA-N 0 0 346.883 4.234 10 0 EIAERN CC(C)(CC(=O)N1CCC[C@H](c2nccs2)C1)c1ccccc1 ZINC000067047426 1045736765 /nfs/dbraw/zinc/73/67/65/1045736765.db2.gz ATEOQRXLAISSET-HNNXBMFYSA-N 0 0 328.481 4.217 10 0 EIAERN Cc1cnc([C@H](C)NC(=O)N2CC=C(c3cccs3)CC2)s1 ZINC000078350600 1046029478 /nfs/dbraw/zinc/02/94/78/1046029478.db2.gz GLWNFVYLBYSWIY-LBPRGKRZSA-N 0 0 333.482 4.073 10 0 EIAERN CCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C)cc2)c1 ZINC000006740305 201693812 /nfs/dbraw/zinc/69/38/12/201693812.db2.gz PUSITAATBLSJLR-LJQANCHMSA-N 0 0 340.448 4.122 10 0 EIAERN Cc1cc(C)n(Cc2cccc(C(F)(F)F)c2)c1C(=O)NC1CC1 ZINC000006774199 201696870 /nfs/dbraw/zinc/69/68/70/201696870.db2.gz UJEMSUIMSFFDSY-UHFFFAOYSA-N 0 0 336.357 4.064 10 0 EIAERN CCc1c(C)c(C(=O)NCC(C)C)n(Cc2cccc(F)c2)c1C ZINC000006801659 201698865 /nfs/dbraw/zinc/69/88/65/201698865.db2.gz FOFFDIYWOBKFDU-UHFFFAOYSA-N 0 0 330.447 4.241 10 0 EIAERN CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)cc1 ZINC000007028239 201709513 /nfs/dbraw/zinc/70/95/13/201709513.db2.gz CWIREUOYRDTFPL-MMQJMDILSA-N 0 0 348.512 4.067 10 0 EIAERN Oc1ccc(CNCc2nc3ccccc3s2)cc1Br ZINC000058402308 214574951 /nfs/dbraw/zinc/57/49/51/214574951.db2.gz QOWMXRGBBXMODF-UHFFFAOYSA-N 0 0 349.253 4.054 10 0 EIAERN Nc1ccc(Cl)c(NC(=O)c2ccc(F)cc2Br)c1 ZINC000036737686 201789501 /nfs/dbraw/zinc/78/95/01/201789501.db2.gz LZCUAKRZINXKJU-UHFFFAOYSA-N 0 0 343.583 4.076 10 0 EIAERN CCOc1ccc(/C=C/C(=O)Nc2ccccc2Cl)cc1OC ZINC000001934784 209807142 /nfs/dbraw/zinc/80/71/42/209807142.db2.gz MZUVUMMFEJLALV-PKNBQFBNSA-N 0 0 331.799 4.399 10 0 EIAERN Cc1cccc(C(=O)NCc2nc3ccccc3n2CCC(C)C)c1 ZINC000040276873 213287393 /nfs/dbraw/zinc/28/73/93/213287393.db2.gz QVXIQXVENKAGOT-UHFFFAOYSA-N 0 0 335.451 4.321 10 0 EIAERN COc1cccc(CON2C(=O)CS[C@H]2c2ccc(Cl)cc2)c1 ZINC000038149949 213203312 /nfs/dbraw/zinc/20/33/12/213203312.db2.gz PAAWKESIUZNRHE-KRWDZBQOSA-N 0 0 349.839 4.054 10 0 EIAERN Brc1csc(CNCc2nc3ccccc3s2)c1 ZINC000020307093 202038260 /nfs/dbraw/zinc/03/82/60/202038260.db2.gz CUUQXIFHLBLNAY-UHFFFAOYSA-N 0 0 339.283 4.410 10 0 EIAERN Cc1ccccc1Nc1c2[nH]cccc-2c(=O)n1Cc1ccccc1 ZINC000021107671 202062215 /nfs/dbraw/zinc/06/22/15/202062215.db2.gz VHKICKNJRPOGHV-FQEVSTJZSA-N 0 0 329.403 4.157 10 0 EIAERN Cc1ccc(Nc2c3[nH]cccc-3c(=O)n2Cc2ccco2)cc1C ZINC000021105130 202062444 /nfs/dbraw/zinc/06/24/44/202062444.db2.gz SZZNCGIGCVPFMV-IBGZPJMESA-N 0 0 333.391 4.058 10 0 EIAERN Cc1ccccc1Nc1c2[nH]cccc-2c(=O)n1Cc1ccccc1 ZINC000021107665 202062518 /nfs/dbraw/zinc/06/25/18/202062518.db2.gz VHKICKNJRPOGHV-HXUWFJFHSA-N 0 0 329.403 4.157 10 0 EIAERN COC(=O)[C@@](C)(NC1CCCC1)c1cc(F)c(Cl)cc1Cl ZINC000037970390 202070573 /nfs/dbraw/zinc/07/05/73/202070573.db2.gz RNIDBPQWZUGWND-HNNXBMFYSA-N 0 0 334.218 4.053 10 0 EIAERN O=C([O-])[C@@H]([NH2+]C1CCCCCC1)c1cc(Br)ccc1F ZINC000037972440 202071294 /nfs/dbraw/zinc/07/12/94/202071294.db2.gz RIFGHTTYRRKBJL-AWEZNQCLSA-N 0 0 344.224 4.026 10 0 EIAERN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cnc(Cl)c(Cl)c1 ZINC000037981473 202074589 /nfs/dbraw/zinc/07/45/89/202074589.db2.gz HYQRLJVSPROJEG-BDAKNGLRSA-N 0 0 341.160 4.239 10 0 EIAERN C[C@H](NC(=O)c1cc(Cl)nc(Cl)c1)c1cc(F)ccc1F ZINC000037983487 202077979 /nfs/dbraw/zinc/07/79/79/202077979.db2.gz LFXZHXAVTLMBEU-ZETCQYMHSA-N 0 0 331.149 4.158 10 0 EIAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000022621092 202088785 /nfs/dbraw/zinc/08/87/85/202088785.db2.gz QUSCUEDXOXAWGT-CXAGYDPISA-N 0 0 344.842 4.123 10 0 EIAERN CCCN(CC)C(=O)c1cc2c(s1)-c1cc(OC)ccc1CC2 ZINC000022625793 202088800 /nfs/dbraw/zinc/08/88/00/202088800.db2.gz NASAZOUUAMYTHW-UHFFFAOYSA-N 0 0 329.465 4.394 10 0 EIAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(Cl)c1 ZINC000022620300 202088965 /nfs/dbraw/zinc/08/89/65/202088965.db2.gz MJJLKMGJIIGJMB-DYVFJYSZSA-N 0 0 344.842 4.123 10 0 EIAERN Cc1cccc(NC(=O)CCn2c(=O)cc(C)c3cccc(C)c32)c1C ZINC000032526919 202226496 /nfs/dbraw/zinc/22/64/96/202226496.db2.gz SXHKVQCCJSCKOL-UHFFFAOYSA-N 0 0 348.446 4.264 10 0 EIAERN CCn1c(C)cc(=O)c2cc(C(=O)Nc3cccc(C)c3C)ccc21 ZINC000032605719 202228511 /nfs/dbraw/zinc/22/85/11/202228511.db2.gz QTEASNPOOMYKRZ-UHFFFAOYSA-N 0 0 334.419 4.199 10 0 EIAERN Cc1cc(=O)c2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)ccc2[nH]1 ZINC000032605910 202228717 /nfs/dbraw/zinc/22/87/17/202228717.db2.gz VJIIQDZNZQEQDJ-UHFFFAOYSA-N 0 0 346.308 4.108 10 0 EIAERN CCn1c(C)cc(=O)c2cc(C(=O)Nc3ccccc3Cl)ccc21 ZINC000032605917 202228760 /nfs/dbraw/zinc/22/87/60/202228760.db2.gz VHMVNQBTDJWSGN-UHFFFAOYSA-N 0 0 340.810 4.236 10 0 EIAERN CCn1cc(C(=O)Nc2cccc(Cl)c2)c(=O)c2cc(F)ccc21 ZINC000032607327 202229133 /nfs/dbraw/zinc/22/91/33/202229133.db2.gz GJEZKPWGWVOPRH-UHFFFAOYSA-N 0 0 344.773 4.066 10 0 EIAERN O=C(/C=C\c1ccc(OCCCF)cc1)NCc1cccc(Cl)c1 ZINC000033705869 202268500 /nfs/dbraw/zinc/26/85/00/202268500.db2.gz IGAJFINVVBTZTE-YFHOEESVSA-N 0 0 347.817 4.408 10 0 EIAERN CCn1nc(-c2ccc(OC)cc2)cc1C(=O)N[C@H](C)c1ccccc1 ZINC000034902996 202280228 /nfs/dbraw/zinc/28/02/28/202280228.db2.gz UCJXYSQIPMHCSP-OAHLLOKOSA-N 0 0 349.434 4.070 10 0 EIAERN CCn1nc(C(=O)Nc2cccc(C)c2)cc1-c1ccc(F)c(F)c1 ZINC000034901847 202280311 /nfs/dbraw/zinc/28/03/11/202280311.db2.gz CPWDLNOEMPKDME-UHFFFAOYSA-N 0 0 341.361 4.409 10 0 EIAERN C[C@@H](Nc1nc2cc(Br)ccc2s1)[C@@H]1CCCO1 ZINC000035736360 202309936 /nfs/dbraw/zinc/30/99/36/202309936.db2.gz QNLZRVGGNKIVQQ-KCJUWKMLSA-N 0 0 327.247 4.038 10 0 EIAERN O=C(c1cccs1)N1CCn2cccc2[C@@H]1c1cccc(Cl)c1 ZINC000035818531 202310227 /nfs/dbraw/zinc/31/02/27/202310227.db2.gz GFIUYXYPBBRUSK-KRWDZBQOSA-N 0 0 342.851 4.448 10 0 EIAERN O=C(c1cccs1)N1CCn2cccc2[C@H]1c1cccc(Cl)c1 ZINC000035818528 202310438 /nfs/dbraw/zinc/31/04/38/202310438.db2.gz GFIUYXYPBBRUSK-QGZVFWFLSA-N 0 0 342.851 4.448 10 0 EIAERN C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000036039776 202312861 /nfs/dbraw/zinc/31/28/61/202312861.db2.gz HGIVBARZLRINNV-GVXVVHGQSA-N 0 0 349.780 4.345 10 0 EIAERN CC[C@H](C)NC(=O)c1csc(COc2ccc(Cl)c(C)c2)n1 ZINC000036084326 202313211 /nfs/dbraw/zinc/31/32/11/202313211.db2.gz BMWGZRPYGMIHEO-NSHDSACASA-N 0 0 338.860 4.212 10 0 EIAERN COc1ccc(C(=O)c2c(F)cccc2Cl)cc1Br ZINC000036944651 202334835 /nfs/dbraw/zinc/33/48/35/202334835.db2.gz FYLDJBQRCSCYRU-UHFFFAOYSA-N 0 0 343.579 4.481 10 0 EIAERN Nc1cc(Cl)cc(Br)c1OCc1cccc(F)c1 ZINC000037115709 202335274 /nfs/dbraw/zinc/33/52/74/202335274.db2.gz UBHDBSRSMCBWBI-UHFFFAOYSA-N 0 0 330.584 4.403 10 0 EIAERN COc1c(Br)cc(Cl)cc1N[C@@H]1C[C@@H]2CC=C[C@H]12 ZINC000037283410 202339297 /nfs/dbraw/zinc/33/92/97/202339297.db2.gz DZLIKNAYBRVTAS-PTOFAABTSA-N 0 0 328.637 4.488 10 0 EIAERN CC(=O)Nc1ncc(Cc2ccc(Br)c(Cl)c2)s1 ZINC000036639164 202328036 /nfs/dbraw/zinc/32/80/36/202328036.db2.gz JJQZMWQXAQLJTI-UHFFFAOYSA-N 0 0 345.649 4.108 10 0 EIAERN CCCCc1ccc(-n2nnc(C(=O)Oc3ccccc3)c2C)cc1 ZINC000036638974 202328237 /nfs/dbraw/zinc/32/82/37/202328237.db2.gz KZHBBLPFNSVRLP-UHFFFAOYSA-N 0 0 335.407 4.138 10 0 EIAERN CCc1ccc(COc2ccccc2I)s1 ZINC000071136790 202339156 /nfs/dbraw/zinc/33/91/56/202339156.db2.gz LTOXNGOTFDTFGN-UHFFFAOYSA-N 0 0 344.217 4.494 10 0 EIAERN COC(=O)c1sc(Nc2ccccc2Br)nc1Cl ZINC000037579122 202348228 /nfs/dbraw/zinc/34/82/28/202348228.db2.gz TYARCUJVERTNIJ-UHFFFAOYSA-N 0 0 347.621 4.089 10 0 EIAERN Cc1ccc([C@H](C)NC(=O)c2cc(Br)ccc2Cl)o1 ZINC000037976459 202383150 /nfs/dbraw/zinc/38/31/50/202383150.db2.gz HQEHGVVSAHLKPB-VIFPVBQESA-N 0 0 342.620 4.495 10 0 EIAERN C[C@H](Nc1ccc(N(C)C)nc1)c1ccc(Br)s1 ZINC000038002667 202383996 /nfs/dbraw/zinc/38/39/96/202383996.db2.gz WDCDFWBYACWAMG-VIFPVBQESA-N 0 0 326.263 4.145 10 0 EIAERN CC(=O)NCc1nc2ccccc2n1Cc1c(Cl)cccc1Cl ZINC000040274083 202431843 /nfs/dbraw/zinc/43/18/43/202431843.db2.gz SVEKHCOMKVJKGP-UHFFFAOYSA-N 0 0 348.233 4.028 10 0 EIAERN Cc1ccc(Nc2ncnc(Oc3ccc(C(C)C)cc3)c2N)nc1 ZINC000040727533 202461198 /nfs/dbraw/zinc/46/11/98/202461198.db2.gz RZPZGBOTWCETCG-UHFFFAOYSA-N 0 0 335.411 4.422 10 0 EIAERN Cc1cc(Oc2ncnc(Oc3cccnc3)c2N)cc(C)c1Cl ZINC000040797934 202463981 /nfs/dbraw/zinc/46/39/81/202463981.db2.gz JDPWPCAQXGTISE-UHFFFAOYSA-N 0 0 342.786 4.309 10 0 EIAERN Cc1ccc(Nc2ncnc(Oc3ccc(Cl)c(C)c3)c2N)nc1 ZINC000040798094 202464241 /nfs/dbraw/zinc/46/42/41/202464241.db2.gz CGIZIHAFYXETNS-UHFFFAOYSA-N 0 0 341.802 4.260 10 0 EIAERN CCOc1ccc(CCC(=O)Nc2ccc(CC)cc2)cc1OC ZINC000040999909 202470572 /nfs/dbraw/zinc/47/05/72/202470572.db2.gz NHTZXMHQOWGJOK-UHFFFAOYSA-N 0 0 327.424 4.228 10 0 EIAERN Cc1cccc(N(C(=O)CC(C)C)S(=O)(=O)c2ccccc2)c1C ZINC000040994000 202470603 /nfs/dbraw/zinc/47/06/03/202470603.db2.gz MCSRUVMXMIQDKB-UHFFFAOYSA-N 0 0 345.464 4.071 10 0 EIAERN CCN(c1ccccc1)c1ncnc(Nc2ccc(C(C)=O)cc2)c1N ZINC000040679650 202458800 /nfs/dbraw/zinc/45/88/00/202458800.db2.gz LFWVTWOHDCTGOL-UHFFFAOYSA-N 0 0 347.422 4.163 10 0 EIAERN Cc1cc(C)cc(Nc2ncnc(N3CCc4ccccc43)c2N)c1 ZINC000040681700 202458981 /nfs/dbraw/zinc/45/89/81/202458981.db2.gz AEAAYDKVZYXVNE-UHFFFAOYSA-N 0 0 331.423 4.113 10 0 EIAERN CC(C)(C)C(=O)Nc1ccc(N2Cc3ccccc3C2=O)cc1Cl ZINC000226287388 201037411 /nfs/dbraw/zinc/03/74/11/201037411.db2.gz ZIYSHUFQPWTBLQ-UHFFFAOYSA-N 0 0 342.826 4.485 10 0 EIAERN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc([C@H](C)O)c1 ZINC000226274404 201037951 /nfs/dbraw/zinc/03/79/51/201037951.db2.gz PORMLTLMZGGHQK-VIFPVBQESA-N 0 0 340.206 4.308 10 0 EIAERN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(N)cc2Cl)c1 ZINC000227158490 201038772 /nfs/dbraw/zinc/03/87/72/201038772.db2.gz FFHVXILNNIGNGX-UHFFFAOYSA-N 0 0 332.831 4.372 10 0 EIAERN C[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc(-n2cccc2)cc1 ZINC000226630306 201039147 /nfs/dbraw/zinc/03/91/47/201039147.db2.gz LMCMPZKWGQMQBI-NDXORKPFSA-N 0 0 330.431 4.458 10 0 EIAERN CC(C)C(=O)Nc1sc(Br)nc1-c1cccs1 ZINC000032500045 201070027 /nfs/dbraw/zinc/07/00/27/201070027.db2.gz YTZXUZGITZKCNU-UHFFFAOYSA-N 0 0 331.260 4.229 10 0 EIAERN O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccc2ccccc2c1 ZINC000008288219 201057915 /nfs/dbraw/zinc/05/79/15/201057915.db2.gz IDDVKZUQUSWANI-GOSISDBHSA-N 0 0 348.427 4.281 10 0 EIAERN COc1cccc([C@H]2CCCN2C(=O)Nc2ccccc2N(C)C)c1 ZINC000044081490 201101709 /nfs/dbraw/zinc/10/17/09/201101709.db2.gz NQFIWYIXMNVRDZ-GOSISDBHSA-N 0 0 339.439 4.130 10 0 EIAERN Cc1ccc(-c2cc(=O)[nH]c(Nc3cccc(Cl)c3F)n2)cc1 ZINC000057342111 201138401 /nfs/dbraw/zinc/13/84/01/201138401.db2.gz BFYJKQKXWRUFDP-UHFFFAOYSA-N 0 0 329.762 4.281 10 0 EIAERN Cc1ccc(Nc2nc(C(F)(F)F)cc(=O)[nH]2)c(Br)c1 ZINC000057342346 201138567 /nfs/dbraw/zinc/13/85/67/201138567.db2.gz BYNCAAYXZYMBED-UHFFFAOYSA-N 0 0 348.122 4.016 10 0 EIAERN FC(F)(F)c1cccc(CNc2nc3c(c(Cl)n2)CCC3)c1 ZINC000057343350 201139089 /nfs/dbraw/zinc/13/90/89/201139089.db2.gz WEEXMAYXOLULCC-UHFFFAOYSA-N 0 0 327.737 4.250 10 0 EIAERN Cc1ccc(-c2cc(=O)[nH]c(NCc3ccc(F)c(Cl)c3)n2)cc1 ZINC000057342132 201139532 /nfs/dbraw/zinc/13/95/32/201139532.db2.gz VWNGMFGNEWUGNM-UHFFFAOYSA-N 0 0 343.789 4.150 10 0 EIAERN CN1C[C@@H](c2ccc(Cl)cc2)C(=O)[C@@H](c2cccc(Cl)c2)C1 ZINC000255995043 201189620 /nfs/dbraw/zinc/18/96/20/201189620.db2.gz POXOWTWAYFMUDK-DLBZAZTESA-N 0 0 334.246 4.375 10 0 EIAERN COc1c2c(c(NC(=O)OC(C)(C)C)cc1Cl)OCC2(C)C ZINC000261508513 201193466 /nfs/dbraw/zinc/19/34/66/201193466.db2.gz UCLJRXKYKCJUFA-UHFFFAOYSA-N 0 0 327.808 4.366 10 0 EIAERN CC(C)(Oc1ccc(F)cc1)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000042850669 202503030 /nfs/dbraw/zinc/50/30/30/202503030.db2.gz WSOQRWHMLPJWSW-WCQYABFASA-N 0 0 347.352 4.220 10 0 EIAERN CN(C)c1ccc(NC(=O)Nc2ccnc3c(F)ccc(F)c23)cc1 ZINC000042889358 202503194 /nfs/dbraw/zinc/50/31/94/202503194.db2.gz AZFKSWSBVCFBCG-UHFFFAOYSA-N 0 0 342.349 4.223 10 0 in-vitro EIAERN CN(C)C(=O)O[C@@H](c1nc2ccccc2o1)c1c(F)cccc1Cl ZINC000005599646 201362115 /nfs/dbraw/zinc/36/21/15/201362115.db2.gz GYKOHPYMEGFDGR-OAHLLOKOSA-N 0 0 348.761 4.408 10 0 EIAERN Cc1ccc(-n2nc(-c3ccc(O)cc3O)c3ccc(O)cc32)cc1 ZINC000013586328 201365993 /nfs/dbraw/zinc/36/59/93/201365993.db2.gz FNMXQCQMYOCDSW-UHFFFAOYSA-N 0 0 332.359 4.118 10 0 EIAERN COc1ccc(C[C@H](C)[C@@H](C)Cc2ccc3c(c2)OCO3)cc1OC ZINC000014760159 201366064 /nfs/dbraw/zinc/36/60/64/201366064.db2.gz ZANBLNRUVUOABN-GJZGRUSLSA-N 0 0 342.435 4.490 10 0 EIAERN CNc1nccn2c(-c3ccc(OCc4ccccc4)cc3)cnc12 ZINC000090505616 201371880 /nfs/dbraw/zinc/37/18/80/201371880.db2.gz LEQKPRILJHNUIV-UHFFFAOYSA-N 0 0 330.391 4.017 10 0 EIAERN O=C(Nc1ccc(C2=NN[C@@H](c3ccccc3)C2)cc1)c1ccccc1 ZINC000090624303 201372123 /nfs/dbraw/zinc/37/21/23/201372123.db2.gz XXZHUXYCHRSTCG-HXUWFJFHSA-N 0 0 341.414 4.378 10 0 EIAERN CSc1nc(N)c2nc(-c3ccccc3)c(-c3ccccc3)nc2n1 ZINC000004522464 201360072 /nfs/dbraw/zinc/36/00/72/201360072.db2.gz BPYYFYLFWDJZQW-UHFFFAOYSA-N 0 0 345.431 4.058 10 0 EIAERN O[C@H](Cc1ccc(Cl)s1)Cc1ccccc1Br ZINC000055335053 202689485 /nfs/dbraw/zinc/68/94/85/202689485.db2.gz OLPWJOWHRJIPFR-JTQLQIEISA-N 0 0 331.662 4.310 10 0 EIAERN CCOC(=O)c1sc2ncnc(Nc3ccc(F)cc3F)c2c1C ZINC000000215348 201448850 /nfs/dbraw/zinc/44/88/50/201448850.db2.gz OWXLYFGZLCNNEF-UHFFFAOYSA-N 0 0 349.362 4.198 10 0 EIAERN Nc1cc2cc(Br)ccc2c(OCCc2ccccc2)n1 ZINC000211697749 241083171 /nfs/dbraw/zinc/08/31/71/241083171.db2.gz MREKSGWCXKPSDY-UHFFFAOYSA-N 0 0 343.224 4.201 10 0 EIAERN Cc1cccc(C(=O)Nc2cccc(C(=O)Nc3cc(C)ccn3)c2)c1 ZINC000000365539 201464675 /nfs/dbraw/zinc/46/46/75/201464675.db2.gz GDAMAIINXAJGDC-UHFFFAOYSA-N 0 0 345.402 4.203 10 0 EIAERN CC(C)(C)OC(=O)N(Cc1ccc(Br)cc1)[C@H]1C[C@H]1F ZINC000230550299 242261724 /nfs/dbraw/zinc/26/17/24/242261724.db2.gz HETJQERBQANULE-OLZOCXBDSA-N 0 0 344.224 4.297 10 0 EIAERN CCCCOc1ccc(-c2csc(NC(=O)C(F)(F)F)n2)cc1 ZINC000001790994 201520743 /nfs/dbraw/zinc/52/07/43/201520743.db2.gz ATVXKPQQAHPDCI-UHFFFAOYSA-N 0 0 344.358 4.490 10 0 EIAERN Cc1ncc(-c2ccc(S(=O)(=O)NC3CCCCCCC3)cc2)o1 ZINC000021031747 212202270 /nfs/dbraw/zinc/20/22/70/212202270.db2.gz CPHIRXYGJQWDKR-UHFFFAOYSA-N 0 0 348.468 4.041 10 0 EIAERN C[C@H]1CCCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCC4)C1 ZINC000005034911 201634874 /nfs/dbraw/zinc/63/48/74/201634874.db2.gz RQDCTWJEIJVNCU-LBPRGKRZSA-N 0 0 328.843 4.249 10 0 EIAERN CC(C)COC(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000005380625 201649530 /nfs/dbraw/zinc/64/95/30/201649530.db2.gz BYCVWNQGGZZGSO-UHFFFAOYSA-N 0 0 331.799 4.405 10 0 EIAERN CCCOC(=O)c1cccc(NC(=O)c2c(C)cc(C)cc2C)c1 ZINC000005714023 201661160 /nfs/dbraw/zinc/66/11/60/201661160.db2.gz AZMCMTXEFDFGOC-UHFFFAOYSA-N 0 0 325.408 4.431 10 0 EIAERN O=C(Cc1cc(Br)cs1)c1ccc2ccccc2n1 ZINC000063075516 202803827 /nfs/dbraw/zinc/80/38/27/202803827.db2.gz RJQXWKIKEYCDAF-UHFFFAOYSA-N 0 0 332.222 4.484 10 0 EIAERN S=c1[nH]c2cc(Br)ccc2n1CCc1nccs1 ZINC000063134717 202804917 /nfs/dbraw/zinc/80/49/17/202804917.db2.gz PNCGQORVBBHYGO-UHFFFAOYSA-N 0 0 340.271 4.161 10 0 EIAERN CCCNC(=O)c1ccc(-c2cc(NC3CCCCC3)ncn2)cc1 ZINC000064989484 202822174 /nfs/dbraw/zinc/82/21/74/202822174.db2.gz GLXAQBKZMRGIJE-UHFFFAOYSA-N 0 0 338.455 4.028 10 0 EIAERN Cc1nnc(-c2cc(NC(=O)c3ccc(Cl)cc3)c(C)s2)o1 ZINC000065149197 202825495 /nfs/dbraw/zinc/82/54/95/202825495.db2.gz IUFFJAUFGFHTSX-UHFFFAOYSA-N 0 0 333.800 4.321 10 0 EIAERN Cc1ccc(C)c(COc2ccc(I)cc2)c1 ZINC000070133809 203073469 /nfs/dbraw/zinc/07/34/69/203073469.db2.gz QEKABDRKXFVQQH-UHFFFAOYSA-N 0 0 338.188 4.487 10 0 EIAERN CNc1ccc(Br)cc1C(=O)N1c2ccccc2C[C@H]1C ZINC000255187280 244046175 /nfs/dbraw/zinc/04/61/75/244046175.db2.gz CLYGVQHWMMVPOT-LLVKDONJSA-N 0 0 345.240 4.082 10 0 EIAERN C[C@H]1CCCCN1c1nc(Br)c(Br)s1 ZINC000072192932 203183490 /nfs/dbraw/zinc/18/34/90/203183490.db2.gz ZPBGEQNREZYWQG-LURJTMIESA-N 0 0 340.084 4.047 10 0 EIAERN Brc1ccc(-c2cnn3c2ncc2c3CCCC2)cc1 ZINC000072451870 203227327 /nfs/dbraw/zinc/22/73/27/203227327.db2.gz JJBWITAVZFRRCE-UHFFFAOYSA-N 0 0 328.213 4.038 10 0 EIAERN COc1c(C)cnc(CNc2ccc(Br)cc2F)c1C ZINC000020045367 212096954 /nfs/dbraw/zinc/09/69/54/212096954.db2.gz FETOHROLGNWHII-UHFFFAOYSA-N 0 0 339.208 4.221 10 0 EIAERN CC(C)NC(=O)c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1 ZINC000075351520 203312749 /nfs/dbraw/zinc/31/27/49/203312749.db2.gz VBMGKVBXRBECRA-UHFFFAOYSA-N 0 0 332.407 4.025 10 0 EIAERN O=C(Nc1ccccc1C(F)(F)F)N[C@@H]1CCN(c2ccccc2)C1 ZINC000078544179 203421334 /nfs/dbraw/zinc/42/13/34/203421334.db2.gz BRNKIVHRCJJBFF-CYBMUJFWSA-N 0 0 349.356 4.106 10 0 EIAERN CC(C)(C)OC(=O)N1CCCC[C@H]1CSc1nc2ccccc2[nH]1 ZINC000085332689 203542892 /nfs/dbraw/zinc/54/28/92/203542892.db2.gz MNAOPJQTZMRYBS-ZDUSSCGKSA-N 0 0 347.484 4.445 10 0 EIAERN CN(c1nsc2ccccc21)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095074094 203711027 /nfs/dbraw/zinc/71/10/27/203711027.db2.gz LCUFWRWZGDPSDJ-CYBMUJFWSA-N 0 0 347.484 4.132 10 0 EIAERN Cc1cc(C)cc(-n2ccnc2SCC(=O)N(C)C2=CCCC2)c1 ZINC000095348938 203714392 /nfs/dbraw/zinc/71/43/92/203714392.db2.gz MNZWJPUJQOJGLT-UHFFFAOYSA-N 0 0 341.480 4.107 10 0 EIAERN Cc1ccccc1N1C(=O)C[C@@H](Nc2cccc(Cl)c2Cl)C1=O ZINC000101275259 204003185 /nfs/dbraw/zinc/00/31/85/204003185.db2.gz ZPIQRTNCEABFFY-CYBMUJFWSA-N 0 0 349.217 4.046 10 0 EIAERN CCNc1nc(-c2ccc(Br)s2)nc(C)c1CC ZINC000103990287 204092426 /nfs/dbraw/zinc/09/24/26/204092426.db2.gz IDBFRZGFEXNBKL-UHFFFAOYSA-N 0 0 326.263 4.270 10 0 EIAERN CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]5C[C@@H]5[C@H](O)[C@]4(C)[C@H]3CC[C@]12C ZINC000118912679 204614689 /nfs/dbraw/zinc/61/46/89/204614689.db2.gz ITUMQEGPSUTXQQ-ZPPLHWNLSA-N 0 0 346.511 4.178 10 0 EIAERN Cc1cc(NC(=O)c2ccc(Cl)cc2)cc(Br)c1O ZINC000226242876 205121579 /nfs/dbraw/zinc/12/15/79/205121579.db2.gz PTRVXGIXHWNBQK-UHFFFAOYSA-N 0 0 340.604 4.369 10 0 EIAERN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(-c3ccc(Cl)cc3N)o2)C1 ZINC000226301378 205124043 /nfs/dbraw/zinc/12/40/43/205124043.db2.gz DGOYBGXXWSKNPS-VXGBXAGGSA-N 0 0 332.831 4.300 10 0 EIAERN C[C@H]1C[C@H](C)CN(C(=O)c2ccc(-c3ccc(N)cc3Cl)o2)C1 ZINC000226301647 205124198 /nfs/dbraw/zinc/12/41/98/205124198.db2.gz CVCZAYSILQJSHN-RYUDHWBXSA-N 0 0 332.831 4.300 10 0 EIAERN NC(=O)c1cc(Cl)c(OCc2ccc(F)cc2Cl)c(Cl)c1 ZINC000226322054 205129600 /nfs/dbraw/zinc/12/96/00/205129600.db2.gz SYJBNENLJOZMHQ-UHFFFAOYSA-N 0 0 348.588 4.464 10 0 EIAERN Cc1cc(N)c(NC(=O)c2cccc(Cl)c2)cc1N1CCCC1 ZINC000226330598 205128585 /nfs/dbraw/zinc/12/85/85/205128585.db2.gz YFUOIHZFKNFORY-UHFFFAOYSA-N 0 0 329.831 4.083 10 0 EIAERN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Cl)cc1N ZINC000226349751 205130814 /nfs/dbraw/zinc/13/08/14/205130814.db2.gz VMCKRALUXTUYRC-UHFFFAOYSA-N 0 0 345.613 4.490 10 0 EIAERN COc1c(Cl)cc(C(=O)Nc2c(C)cc(C)cc2N)cc1Cl ZINC000226349862 205131031 /nfs/dbraw/zinc/13/10/31/205131031.db2.gz NJJKPJORNMTSAA-UHFFFAOYSA-N 0 0 339.222 4.453 10 0 EIAERN Cc1cc(N)c(NC(=O)COc2ccc(Cl)c(C)c2)cc1Cl ZINC000226359227 205132051 /nfs/dbraw/zinc/13/20/51/205132051.db2.gz IPXWRNALNZEKOM-UHFFFAOYSA-N 0 0 339.222 4.210 10 0 EIAERN O=S(=O)(Nc1cccc(Cl)c1)c1ccc2c3c(cccc31)CC2 ZINC000226862249 205161288 /nfs/dbraw/zinc/16/12/88/205161288.db2.gz ZTCWDJUQWALMDM-UHFFFAOYSA-N 0 0 343.835 4.393 10 0 EIAERN Cc1cc(OCC(=O)Nc2c(C)cc(N)cc2Cl)ccc1Cl ZINC000227145465 205173265 /nfs/dbraw/zinc/17/32/65/205173265.db2.gz LVIXCNNEOUUYMM-UHFFFAOYSA-N 0 0 339.222 4.210 10 0 EIAERN NC(=O)[C@@H](Nc1ccccc1Cl)c1c(Cl)cccc1Cl ZINC000006567954 206516578 /nfs/dbraw/zinc/51/65/78/206516578.db2.gz CFHOQWJSPLGOOG-ZDUSSCGKSA-N 0 0 329.614 4.285 10 0 EIAERN CC(C)N(CCNc1ccc(Br)cc1)CC(F)(F)F ZINC000053389963 207109528 /nfs/dbraw/zinc/10/95/28/207109528.db2.gz XWGJCSNFZCMABH-UHFFFAOYSA-N 0 0 339.199 4.134 10 0 EIAERN C[C@H]1CCCCN1c1ccc(NC(=O)c2cccc(F)c2)cc1N ZINC000226266446 135593489 /nfs/dbraw/zinc/59/34/89/135593489.db2.gz RUCQVYCCMYYPDY-ZDUSSCGKSA-N 0 0 327.403 4.039 10 0 EIAERN Cc1ccc(Cl)cc1N1CCN(C(=O)/C=C\c2ccccc2)CC1 ZINC000035225353 524731362 /nfs/dbraw/zinc/73/13/62/524731362.db2.gz BWSXVIILXWADLL-NTMALXAHSA-N 0 0 340.854 4.010 10 0 EIAERN CCc1ccccc1Nc1ncnc(N2CCCc3ccccc32)c1N ZINC000040688261 535964658 /nfs/dbraw/zinc/96/46/58/535964658.db2.gz ZNQFNWBIBOFBPH-UHFFFAOYSA-N 0 0 345.450 4.449 10 0 EIAERN Cc1ccc(OC(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1C ZINC000045221729 563928974 /nfs/dbraw/zinc/92/89/74/563928974.db2.gz RILUMQTTWGJFCI-UHFFFAOYSA-N 0 0 331.799 4.281 10 0 EIAERN O=C1/C(=C/c2c(F)cccc2Cl)S[C@@H]2Nc3ccccc3N12 ZINC000048513008 563930467 /nfs/dbraw/zinc/93/04/67/563930467.db2.gz QEOLFWOUDVSPIM-WPMUKRGUSA-N 0 0 332.787 4.309 10 0 EIAERN O=C(Nc1ccccc1OC1CCCC1)N[C@H]1COc2ccccc21 ZINC000058629314 563946916 /nfs/dbraw/zinc/94/69/16/563946916.db2.gz JNUBADSNLPWRMD-KRWDZBQOSA-N 0 0 338.407 4.263 10 0 EIAERN Cc1nn(C(C)C)cc1NCc1ccc(F)c(Br)c1 ZINC000725242716 563975094 /nfs/dbraw/zinc/97/50/94/563975094.db2.gz WWKOXFRMSAHDBV-UHFFFAOYSA-N 0 0 326.213 4.286 10 0 EIAERN Cc1ccc2[nH]c(=O)c3cc(C(=O)N4CCCCCC4)sc3c2c1 ZINC000000269904 563989957 /nfs/dbraw/zinc/98/99/57/563989957.db2.gz YFRNVUWYZGTZJO-UHFFFAOYSA-N 0 0 340.448 4.067 10 0 EIAERN CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC=C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C ZINC000077271570 564064468 /nfs/dbraw/zinc/06/44/68/564064468.db2.gz DKRVGISYZLHNHZ-KFEVXASFSA-N 0 0 332.484 4.098 10 0 in-vitro EIAERN C[C@@H]1CC[C@@](O)(c2cc(Br)cc(Br)c2)C1 ZINC000521401872 564073865 /nfs/dbraw/zinc/07/38/65/564073865.db2.gz SASAETDFIRJKOL-PELKAZGASA-N 0 0 334.051 4.219 10 0 EIAERN O=C(CC1CCCC1)N1CCC(CCOCc2ccccc2)CC1 ZINC000065180334 564102328 /nfs/dbraw/zinc/10/23/28/564102328.db2.gz NAVBATWRSBFEJR-UHFFFAOYSA-N 0 0 329.484 4.412 10 0 EIAERN Fc1ccc(-c2c(I)n[nH]c2C2CCC2)cc1 ZINC000675076243 564113321 /nfs/dbraw/zinc/11/33/21/564113321.db2.gz LYALLOZYABRMES-UHFFFAOYSA-N 0 0 342.155 4.088 10 0 EIAERN CC1CCN(c2ccc(N(C)C(=O)C(F)(F)F)cc2Cl)CC1 ZINC000226275653 564117289 /nfs/dbraw/zinc/11/72/89/564117289.db2.gz IRGHHNYXQXCYJS-UHFFFAOYSA-N 0 0 334.769 4.101 10 0 EIAERN CCOc1ccccc1NC(=O)N1C[C@H]2CCCN2c2ccccc21 ZINC000020597605 564141689 /nfs/dbraw/zinc/14/16/89/564141689.db2.gz OQNAWJGDSRQRLS-OAHLLOKOSA-N 0 0 337.423 4.106 10 0 EIAERN C[C@H](C(=O)C[C@H](C)COCc1ccccc1)N(C)C(=O)OC(C)(C)C ZINC000685962859 564177268 /nfs/dbraw/zinc/17/72/68/564177268.db2.gz XPPXOEIWKQTAKI-JKSUJKDBSA-N 0 0 349.471 4.054 10 0 EIAERN COc1cc(-c2nc3cccc4cccc([nH]2)c43)cc(OC)c1OC ZINC000169961797 564177397 /nfs/dbraw/zinc/17/73/97/564177397.db2.gz QZDIOXUIJSMUBH-UHFFFAOYSA-N 0 0 334.375 4.409 10 0 EIAERN CC(C)(C)OC(=O)NCC(C)(C)C(=O)CCCOCc1ccccc1 ZINC000406077741 564177624 /nfs/dbraw/zinc/17/76/24/564177624.db2.gz GWCOJWGIBGXIDG-UHFFFAOYSA-N 0 0 349.471 4.103 10 0 EIAERN Cc1cccc([C@@H](C)CNC(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000121078443 1032514535 /nfs/dbraw/zinc/51/45/35/1032514535.db2.gz HHOSAOMOSCZGET-RDJZCZTQSA-N 0 0 343.496 4.144 10 0 EIAERN C[C@H]1CC(C(=O)Nc2ccc3c(c2)nc(C(C)(C)C)n3C)C[C@H](C)O1 ZINC000091697772 1023147218 /nfs/dbraw/zinc/14/72/18/1023147218.db2.gz ILHNTAFLGOVJGX-STQMWFEESA-N 0 0 343.471 4.013 10 0 EIAERN CO[C@H](C)c1cccc(NC(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000114813913 1027839515 /nfs/dbraw/zinc/83/95/15/1027839515.db2.gz NBRIZWOHVKHUOY-HIFRSBDPSA-N 0 0 345.468 4.262 10 0 EIAERN Cc1cc([C@@H](C)NC(=O)N2CCC[C@@H](c3nccs3)C2)c(C)o1 ZINC000114826643 1027841911 /nfs/dbraw/zinc/84/19/11/1027841911.db2.gz FXAAQDXAZXMPRW-TZMCWYRMSA-N 0 0 333.457 4.003 10 0 EIAERN CSc1cccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000114804399 1029613876 /nfs/dbraw/zinc/61/38/76/1029613876.db2.gz HHXCLDXKZWAHLM-GFCCVEGCSA-N 0 0 333.482 4.277 10 0 EIAERN CC(C)(C)[C@H](NC(=O)C[C@@H]1C(=O)Nc2ccccc21)c1cccs1 ZINC000122394583 1030813552 /nfs/dbraw/zinc/81/35/52/1030813552.db2.gz GQICCJXZZVONFY-SUMWQHHRSA-N 0 0 342.464 4.078 10 0 EIAERN CCc1ncsc1C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000124800086 1031090907 /nfs/dbraw/zinc/09/09/07/1031090907.db2.gz LTDLGXVNAXYVJO-OAHLLOKOSA-N 0 0 342.464 4.272 10 0 EIAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000117649458 1031168658 /nfs/dbraw/zinc/16/86/58/1031168658.db2.gz KNDOCLKLKPXFAF-RFAUZJTJSA-N 0 0 339.288 4.348 10 0 EIAERN C[C@H](Cc1cccc(F)c1)C(=O)N1CC=C(c2cccs2)CC1 ZINC000117720662 1031207070 /nfs/dbraw/zinc/20/70/70/1031207070.db2.gz XZBCHXYPUUSXSR-CQSZACIVSA-N 0 0 329.440 4.382 10 0 EIAERN COc1cccc([C@H](C)C(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000117721302 1031208447 /nfs/dbraw/zinc/20/84/47/1031208447.db2.gz MLIWPLWQCYHXLV-AWEZNQCLSA-N 0 0 327.449 4.176 10 0 EIAERN c1csc([C@H]2CCCN(Cc3csc(-c4ccoc4)n3)C2)n1 ZINC000108362551 1031289165 /nfs/dbraw/zinc/28/91/65/1031289165.db2.gz UGPCRHSOQHSFSY-LBPRGKRZSA-N 0 0 331.466 4.239 10 0 EIAERN COCc1cccc(NC(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000118011306 1031339846 /nfs/dbraw/zinc/33/98/46/1031339846.db2.gz RPBUGXUNDYRMJF-UHFFFAOYSA-N 0 0 328.437 4.216 10 0 EIAERN O=C([C@H]1CC=CCC1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218299 1031357451 /nfs/dbraw/zinc/35/74/51/1031357451.db2.gz NLROAPGNRJVALA-ZWKOTPCHSA-N 0 0 335.451 4.139 10 0 EIAERN O=C(CCc1c[nH]c2ccccc12)N1CC=C(c2cccs2)CC1 ZINC000117724433 1031394691 /nfs/dbraw/zinc/39/46/91/1031394691.db2.gz WUOJVDICNMANDT-UHFFFAOYSA-N 0 0 336.460 4.478 10 0 EIAERN Cc1csc([C@H](C)NC(=O)N2CC=C(c3cccs3)CC2)n1 ZINC000117964690 1031397638 /nfs/dbraw/zinc/39/76/38/1031397638.db2.gz CGAJFDYNQBZRFT-LBPRGKRZSA-N 0 0 333.482 4.073 10 0 EIAERN O=C(Nc1cc(F)c(F)cc1F)N1CC=C(c2cccs2)CC1 ZINC000118020298 1031398418 /nfs/dbraw/zinc/39/84/18/1031398418.db2.gz BDLQQBHKQPWQPK-UHFFFAOYSA-N 0 0 338.354 4.487 10 0 EIAERN Cc1cc(Cl)cc2c1OCCC[C@H]2NCc1nccn1C(F)F ZINC000122107703 1031444728 /nfs/dbraw/zinc/44/47/28/1031444728.db2.gz ZARLVJYEGGPYBK-CYBMUJFWSA-N 0 0 341.789 4.244 10 0 EIAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)OCc1cnc(-c2cccs2)o1 ZINC000124702874 1031548488 /nfs/dbraw/zinc/54/84/88/1031548488.db2.gz WFDZCOAIANRYQT-BDJLRTHQSA-N 0 0 341.388 4.011 10 0 EIAERN Cc1cccc(C(N)=O)c1NCc1ncc(-c2ccccc2Cl)o1 ZINC000085280008 1038808088 /nfs/dbraw/zinc/80/80/88/1038808088.db2.gz WSZCXSRGNZOCHH-UHFFFAOYSA-N 0 0 341.798 4.014 10 0 EIAERN Cc1cc(O)c(C(C)C)cc1NC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000088464973 1038959223 /nfs/dbraw/zinc/95/92/23/1038959223.db2.gz SJFCMQUPPVTHNY-DJJJIMSYSA-N 0 0 325.408 4.327 10 0 EIAERN Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCc2c3ccccc3[nH]c2C1 ZINC000089915529 1039140791 /nfs/dbraw/zinc/14/07/91/1039140791.db2.gz VZKGJKQHVZLEGI-MOPGFXCFSA-N 0 0 330.431 4.165 10 0 EIAERN Cc1cccc(CN[C@@H](c2ncon2)c2ccc(Cl)cc2)c1C ZINC000090202111 1039202043 /nfs/dbraw/zinc/20/20/43/1039202043.db2.gz FZTZPDCBEBWDQK-QGZVFWFLSA-N 0 0 327.815 4.219 10 0 EIAERN Cc1cn2c(CN3CCC[C@H]3c3cccc(C)n3)c(C)nc2s1 ZINC000093453545 1039698253 /nfs/dbraw/zinc/69/82/53/1039698253.db2.gz NIPOSNZIYQLQSP-INIZCTEOSA-N 0 0 326.469 4.053 10 0 EIAERN Cc1ccc([C@@H]2CN(Cc3ccc(CSC(F)F)o3)CCO2)o1 ZINC000093865023 1039762664 /nfs/dbraw/zinc/76/26/64/1039762664.db2.gz ZPRGGHIPGLMESJ-HNNXBMFYSA-N 0 0 343.395 4.210 10 0 EIAERN Cc1ccc([C@@H]2CN(Cc3cccn3Cc3cccs3)CCO2)o1 ZINC000093864615 1039763056 /nfs/dbraw/zinc/76/30/56/1039763056.db2.gz ZKSDAKBSXSNZEZ-IBGZPJMESA-N 0 0 342.464 4.073 10 0 EIAERN O=C(N[C@@H]1CCOc2ccccc21)N[C@H]1CCCc2ccc(F)cc21 ZINC000093120482 1042842045 /nfs/dbraw/zinc/84/20/45/1042842045.db2.gz UMPMUCOKDDNLJO-ZWKOTPCHSA-N 0 0 340.398 4.026 10 0 EIAERN C[C@H]1CCN(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)C[C@H](C)C1 ZINC000093352383 1042844099 /nfs/dbraw/zinc/84/40/99/1042844099.db2.gz MQVKIQUQXSRWSO-WDEREUQCSA-N 0 0 336.386 4.400 10 0 EIAERN C[C@@]1(C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)CC1(Cl)Cl ZINC000073558488 1045807020 /nfs/dbraw/zinc/80/70/20/1045807020.db2.gz QRUNBRRWHQKDEP-KRWDZBQOSA-N 0 0 349.261 4.368 10 0 EIAERN Cc1csc(C2CCN(C(=O)C/C=C/c3ccc(F)cc3)CC2)n1 ZINC000080639300 1046740075 /nfs/dbraw/zinc/74/00/75/1046740075.db2.gz IEEVJYAOWBIWSX-NSCUHMNNSA-N 0 0 344.455 4.400 10 0 EIAERN CCCn1c(CCC(=O)Nc2ccc(C)c(C)c2)nc2cccnc21 ZINC000006737585 201693518 /nfs/dbraw/zinc/69/35/18/201693518.db2.gz BVLAEJMXWGINFT-UHFFFAOYSA-N 0 0 336.439 4.029 10 0 EIAERN CCOC(=O)c1cnc(C(C)C)nc1-c1ccccc1Br ZINC000008700211 201757189 /nfs/dbraw/zinc/75/71/89/201757189.db2.gz BDTNYIBEZVILLZ-UHFFFAOYSA-N 0 0 349.228 4.206 10 0 EIAERN Nc1cc(-c2ccc(Br)o2)nn1-c1ccccc1Cl ZINC000037295338 201936975 /nfs/dbraw/zinc/93/69/75/201936975.db2.gz AQCOIRMHESTSGR-UHFFFAOYSA-N 0 0 338.592 4.130 10 0 EIAERN CCOc1ccc(/C=C/C(=O)Nc2cc(F)ccc2F)cc1OC ZINC000015564219 201958366 /nfs/dbraw/zinc/95/83/66/201958366.db2.gz JXWYHQWTGSBNQY-WEVVVXLNSA-N 0 0 333.334 4.024 10 0 EIAERN Cc1ccc(C(N)=S)c(Oc2ccc(Br)cc2C)c1 ZINC000104180292 219355703 /nfs/dbraw/zinc/35/57/03/219355703.db2.gz VNPCBBXBHKCAQI-UHFFFAOYSA-N 0 0 336.254 4.492 10 0 EIAERN CC(C)CCn1c(CNC(=O)c2ccccc2F)nc2ccccc21 ZINC000040277855 213286842 /nfs/dbraw/zinc/28/68/42/213286842.db2.gz UHXOLAJPVXDFLS-UHFFFAOYSA-N 0 0 339.414 4.152 10 0 EIAERN Nc1ccc(OCc2cc(F)ccc2Br)c(Cl)c1 ZINC000019430095 202006581 /nfs/dbraw/zinc/00/65/81/202006581.db2.gz KPOCBVAYHDIZNT-UHFFFAOYSA-N 0 0 330.584 4.403 10 0 EIAERN Nc1ccc(OCc2cc(Br)ccc2F)c(Cl)c1 ZINC000019432458 202007223 /nfs/dbraw/zinc/00/72/23/202007223.db2.gz YXUYXWRVUNECMW-UHFFFAOYSA-N 0 0 330.584 4.403 10 0 EIAERN Cc1ccc(-c2nc(CN3CCC[C@@H]3c3nccs3)c(C)o2)o1 ZINC000019770968 202018832 /nfs/dbraw/zinc/01/88/32/202018832.db2.gz MCCGUPVDSQMNCQ-CQSZACIVSA-N 0 0 329.425 4.345 10 0 EIAERN CCOC(=O)c1sc2ncnc(Nc3cccc(F)c3)c2c1C ZINC000019956113 202028057 /nfs/dbraw/zinc/02/80/57/202028057.db2.gz KWXHOAHRYUKMCO-UHFFFAOYSA-N 0 0 331.372 4.059 10 0 EIAERN Cc1sc2ncnc(N(C)CCO)c2c1-c1ccc(C(C)C)cc1 ZINC000020318669 202037461 /nfs/dbraw/zinc/03/74/61/202037461.db2.gz DNNMCPOEXRPRFC-UHFFFAOYSA-N 0 0 341.480 4.219 10 0 EIAERN NC(=S)c1ccccc1Oc1ccc(F)cc1Br ZINC000020077398 202031367 /nfs/dbraw/zinc/03/13/67/202031367.db2.gz AQEKMBZTYFMOLL-UHFFFAOYSA-N 0 0 326.190 4.015 10 0 EIAERN Ic1ccc(N[C@H]2CCc3ccccc32)cc1 ZINC000020477662 202044118 /nfs/dbraw/zinc/04/41/18/202044118.db2.gz GHQUQQHPZSQFQE-HNNXBMFYSA-N 0 0 335.188 4.391 10 0 EIAERN CC(C)C(=O)Nc1ccc(-c2nc3ccc(Cl)cc3c(=O)o2)cc1 ZINC000021145378 202061936 /nfs/dbraw/zinc/06/19/36/202061936.db2.gz BHTAWWUXTHHNDE-UHFFFAOYSA-N 0 0 342.782 4.103 10 0 EIAERN CCC[C@@H](C)C(=O)Nc1ccc(NC(=O)c2ccccc2)c(O)c1 ZINC000021145215 202062552 /nfs/dbraw/zinc/06/25/52/202062552.db2.gz GVHZBOZWYOAUGC-CYBMUJFWSA-N 0 0 326.396 4.019 10 0 EIAERN C[C@@H](Nc1ccccc1-n1ccnn1)c1ccc(Br)s1 ZINC000038002484 202081918 /nfs/dbraw/zinc/08/19/18/202081918.db2.gz IRUGGZMLAGTNHB-SNVBAGLBSA-N 0 0 349.257 4.264 10 0 EIAERN O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)c1cnc(Cl)c(Cl)c1 ZINC000037981250 202074256 /nfs/dbraw/zinc/07/42/56/202074256.db2.gz KOBBFOFYTCAVGR-WCBMZHEXSA-N 0 0 341.160 4.239 10 0 EIAERN C[C@H](C1CC1)N(CC(F)(F)F)C(=O)c1cnc(Cl)c(Cl)c1 ZINC000037980226 202076042 /nfs/dbraw/zinc/07/60/42/202076042.db2.gz ILTYXWMFIKJQBQ-SSDOTTSWSA-N 0 0 341.160 4.191 10 0 EIAERN C[C@H](NC(=O)c1nc(Cl)ccc1Cl)c1cc(F)ccc1F ZINC000037983485 202077627 /nfs/dbraw/zinc/07/76/27/202077627.db2.gz ZFFGJYXOUZAWPW-ZETCQYMHSA-N 0 0 331.149 4.158 10 0 EIAERN C[C@@H](NC(=O)[C@H](C)Oc1ccccc1)c1ccccc1Br ZINC000023526109 202106050 /nfs/dbraw/zinc/10/60/50/202106050.db2.gz KYIDJCPKSXKUHD-OLZOCXBDSA-N 0 0 348.240 4.094 10 0 EIAERN CC(C)CNC(=O)Cn1c2ccccc2nc1-c1ccccc1Cl ZINC000025706631 202135456 /nfs/dbraw/zinc/13/54/56/202135456.db2.gz JYUOUFOXJGMJJQ-UHFFFAOYSA-N 0 0 341.842 4.129 10 0 EIAERN COc1cccc(C(=O)N[C@](C)(C(=O)c2ccccc2)C(C)C)c1C ZINC000027524747 202156503 /nfs/dbraw/zinc/15/65/03/202156503.db2.gz YMOLKXDZLSSLGZ-NRFANRHFSA-N 0 0 339.435 4.031 10 0 EIAERN Cc1cc(=O)n(CC(=O)Nc2cccc3ccccc32)c2ccccc12 ZINC000032530291 202226130 /nfs/dbraw/zinc/22/61/30/202226130.db2.gz QDCVLTHPYZKOEM-UHFFFAOYSA-N 0 0 342.398 4.102 10 0 EIAERN Cc1cccc2c(C)cc(=O)n(CCOc3ccccc3Cl)c12 ZINC000032530596 202226191 /nfs/dbraw/zinc/22/61/91/202226191.db2.gz ZDHTWAGVXORGBV-UHFFFAOYSA-N 0 0 327.811 4.351 10 0 EIAERN COc1cc2nc(C(F)(F)F)nc(NC3CCCC3)c2cc1OC ZINC000032544806 202227283 /nfs/dbraw/zinc/22/72/83/202227283.db2.gz JFPPQOWOGISUOX-UHFFFAOYSA-N 0 0 341.333 4.020 10 0 EIAERN Cc1ccc(-c2nccc(Oc3cccc(C(=O)NC(C)C)c3)n2)cc1 ZINC000033139149 202250761 /nfs/dbraw/zinc/25/07/61/202250761.db2.gz CCOWDWNIMJOWLG-UHFFFAOYSA-N 0 0 347.418 4.383 10 0 EIAERN O=C(NCC(=O)c1ccccc1)C(=Cc1cccs1)c1ccccc1 ZINC000033337121 202258881 /nfs/dbraw/zinc/25/88/81/202258881.db2.gz DAUGIDZPPQOTAK-RGEXLXHISA-N 0 0 347.439 4.288 10 0 EIAERN Clc1ccc(/C=C\c2nn3c(nnc3-c3cccnc3)s2)cc1 ZINC000033558832 202267071 /nfs/dbraw/zinc/26/70/71/202267071.db2.gz NHQJDAVTGBKRFJ-YVMONPNESA-N 0 0 339.811 4.072 10 0 EIAERN CCc1nc(-c2cccs2)c(-c2ccnc(NC(C)=O)c2)s1 ZINC000034005581 202271375 /nfs/dbraw/zinc/27/13/75/202271375.db2.gz KQCKEDKQAVGPMZ-UHFFFAOYSA-N 0 0 329.450 4.454 10 0 EIAERN Cc1[nH]nc(-c2cccc(F)c2)c1NC(=O)c1ccccc1Cl ZINC000034796806 202278244 /nfs/dbraw/zinc/27/82/44/202278244.db2.gz DKZLUNLTHWWFAM-UHFFFAOYSA-N 0 0 329.762 4.430 10 0 EIAERN CCn1nc(-c2ccc(OC)cc2)cc1C(=O)N[C@@H](C)c1ccccc1 ZINC000034902994 202280044 /nfs/dbraw/zinc/28/00/44/202280044.db2.gz UCJXYSQIPMHCSP-HNNXBMFYSA-N 0 0 349.434 4.070 10 0 EIAERN O=C(CN1CC[C@H]2CCCC[C@@H]2C1)c1ccc(Br)s1 ZINC000035037575 202285072 /nfs/dbraw/zinc/28/50/72/202285072.db2.gz NLEVHFKQCNBYAH-VXGBXAGGSA-N 0 0 342.302 4.205 10 0 EIAERN CCCc1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1 ZINC000040295742 202309673 /nfs/dbraw/zinc/30/96/73/202309673.db2.gz NBCGGLCGNXMEDL-UHFFFAOYSA-N 0 0 327.815 4.281 10 0 EIAERN Cc1ccc(C)c(-c2cc(CN(C(=O)c3ccco3)C3CC3)no2)c1 ZINC000036005611 202311447 /nfs/dbraw/zinc/31/14/47/202311447.db2.gz SCFKSKFJTXDURA-UHFFFAOYSA-N 0 0 336.391 4.356 10 0 EIAERN CCCn1cccc1C(=O)Nc1ccc(Br)cc1F ZINC000036855911 202333585 /nfs/dbraw/zinc/33/35/85/202333585.db2.gz FZGFEWLDFWXAGT-UHFFFAOYSA-N 0 0 325.181 4.052 10 0 EIAERN O[C@H](Cc1ccc(Cl)cc1)Cc1cccc(Br)c1 ZINC000037532649 202344754 /nfs/dbraw/zinc/34/47/54/202344754.db2.gz COIFMDFXSMELAN-OAHLLOKOSA-N 0 0 325.633 4.249 10 0 EIAERN CC(C)n1cc(Br)cc1C(=O)Nc1cccnc1Cl ZINC000037843681 202371328 /nfs/dbraw/zinc/37/13/28/202371328.db2.gz XQOTWYCQWDKVJL-UHFFFAOYSA-N 0 0 342.624 4.132 10 0 EIAERN COc1c(Br)cc(Cl)cc1N[C@@H](C)c1cc[nH]n1 ZINC000037907495 202374386 /nfs/dbraw/zinc/37/43/86/202374386.db2.gz GYWGQGFDWKICFW-ZETCQYMHSA-N 0 0 330.613 4.007 10 0 EIAERN CCc1cc(Cl)nc(-c2ccc(OC)c(Br)c2)n1 ZINC000038052454 202390341 /nfs/dbraw/zinc/39/03/41/202390341.db2.gz YQLRSMKVHRCMOC-UHFFFAOYSA-N 0 0 327.609 4.131 10 0 EIAERN Cc1cccc(Cn2c(CNC(=O)C(C)(C)C)nc3ccccc32)c1 ZINC000040190237 202428102 /nfs/dbraw/zinc/42/81/02/202428102.db2.gz WIWNREPHCQOJPR-UHFFFAOYSA-N 0 0 335.451 4.055 10 0 EIAERN Cc1cc2nc(CO)n(CCOc3ccc(C(C)C)cc3)c2cc1C ZINC000040308973 202433650 /nfs/dbraw/zinc/43/36/50/202433650.db2.gz ZZCNUDAUTJGUCP-UHFFFAOYSA-N 0 0 338.451 4.348 10 0 EIAERN CCc1ccc(NC(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)cc1 ZINC000040311939 202434385 /nfs/dbraw/zinc/43/43/85/202434385.db2.gz HKHQAZXCDSEBDW-UHFFFAOYSA-N 0 0 333.313 4.396 10 0 EIAERN Nc1c(Sc2ccc(Cl)cc2)ncnc1N1CCCCCC1 ZINC000040722958 202460365 /nfs/dbraw/zinc/46/03/65/202460365.db2.gz OOIWZRSJYXGAGN-UHFFFAOYSA-N 0 0 334.876 4.244 10 0 EIAERN Nc1c(NC2CCCCC2)ncnc1Oc1cccc2cccnc21 ZINC000040708473 202460700 /nfs/dbraw/zinc/46/07/00/202460700.db2.gz ZFUSPINEPBKNKS-UHFFFAOYSA-N 0 0 335.411 4.144 10 0 EIAERN CCCCCCNC(=O)COc1ccc(CC)cc1Br ZINC000040942238 202468290 /nfs/dbraw/zinc/46/82/90/202468290.db2.gz OKBKPNQZLXBQIX-UHFFFAOYSA-N 0 0 342.277 4.087 10 0 EIAERN CCCSc1nnc(NC(=O)/C=C/c2ccc(OCC)cc2)s1 ZINC000040970901 202468676 /nfs/dbraw/zinc/46/86/76/202468676.db2.gz CEOYGFRXPSATEA-JXMROGBWSA-N 0 0 349.481 4.091 10 0 EIAERN COc1ccccc1Oc1ncnc(Nc2cc(C)cc(C)c2)c1N ZINC000040682270 202458909 /nfs/dbraw/zinc/45/89/09/202458909.db2.gz IGWUHYTVKWEUHN-UHFFFAOYSA-N 0 0 336.395 4.220 10 0 EIAERN CN(C(=O)C(F)(F)F)c1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000226270349 201037119 /nfs/dbraw/zinc/03/71/19/201037119.db2.gz ILQQKWWKDFRQCG-UHFFFAOYSA-N 0 0 338.260 4.159 10 0 EIAERN Cc1ccc([C@@H](C)NC(=O)N2CCCCC[C@@H]2c2ccncc2)o1 ZINC000043723091 201100989 /nfs/dbraw/zinc/10/09/89/201100989.db2.gz NFNIKEYIRYDAHD-NVXWUHKLSA-N 0 0 327.428 4.371 10 0 EIAERN C[C@H](NC(=O)c1cc(-c2cccnc2)on1)c1ccc(F)c(Cl)c1 ZINC000055743542 201136075 /nfs/dbraw/zinc/13/60/75/201136075.db2.gz CVMOAFXXMRBQOQ-JTQLQIEISA-N 0 0 345.761 4.020 10 0 EIAERN Cc1ccc(-c2cc(=O)[nH]c(Nc3ccc(Cl)c(F)c3)n2)cc1 ZINC000057342129 201139202 /nfs/dbraw/zinc/13/92/02/201139202.db2.gz FMYVEEVWRJQFDW-UHFFFAOYSA-N 0 0 329.762 4.281 10 0 EIAERN Cc1cccc(-c2cc(=O)[nH]c(Nc3ccc(Cl)c(F)c3)n2)c1 ZINC000057342006 201139430 /nfs/dbraw/zinc/13/94/30/201139430.db2.gz XPGXNUQFRZSOEH-UHFFFAOYSA-N 0 0 329.762 4.281 10 0 EIAERN CC(C)[C@@H]1C(=O)Nc2ccc(Cl)cc2CN1C(=O)OC(C)(C)C ZINC000005963194 201362329 /nfs/dbraw/zinc/36/23/29/201362329.db2.gz HEECRYHEYZRIPN-CQSZACIVSA-N 0 0 338.835 4.054 10 0 EIAERN CC(C)Oc1cccc(NCC(=O)Nc2ccc3cnccc3c2)c1 ZINC000090636090 201371985 /nfs/dbraw/zinc/37/19/85/201371985.db2.gz LCFIMWLHGSGDKX-UHFFFAOYSA-N 0 0 335.407 4.073 10 0 EIAERN O=Cc1cc(-c2cccc(-c3ccccn3)n2)nc(-c2ccccc2)n1 ZINC000090668910 201372983 /nfs/dbraw/zinc/37/29/83/201372983.db2.gz PYMQDGBLKRFVJC-UHFFFAOYSA-N 0 0 338.370 4.080 10 0 EIAERN CCCCn1c(SCC(=O)c2cccs2)nnc1-c1ccco1 ZINC000004882048 201360211 /nfs/dbraw/zinc/36/02/11/201360211.db2.gz GNZJPAPDJGMBOW-UHFFFAOYSA-N 0 0 347.465 4.375 10 0 EIAERN CC1CCN(C(=O)c2ccc(Nc3ccc(Cl)cc3)nc2)CC1 ZINC000045394353 202551089 /nfs/dbraw/zinc/55/10/89/202551089.db2.gz ARKOFPWBWBXGLK-UHFFFAOYSA-N 0 0 329.831 4.351 10 0 EIAERN COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1cccc2ccccc21 ZINC000054618275 202672768 /nfs/dbraw/zinc/67/27/68/202672768.db2.gz ZJVLBAVQDJUKKU-UHFFFAOYSA-N 0 0 349.386 4.092 10 0 EIAERN O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)c1nc(Cl)ccc1Cl ZINC000022763088 212321912 /nfs/dbraw/zinc/32/19/12/212321912.db2.gz AWEYIQHYEQZWLS-IONNQARKSA-N 0 0 341.160 4.239 10 0 EIAERN O=C1c2ccccc2CC[C@@]12O[C@H]2c1ccc(Br)cc1 ZINC000000163829 201443188 /nfs/dbraw/zinc/44/31/88/201443188.db2.gz KCIJKKMJZDOIQE-DLBZAZTESA-N 0 0 329.193 4.088 10 0 EIAERN CC(C)Sc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2 ZINC000000213979 201448889 /nfs/dbraw/zinc/44/88/89/201448889.db2.gz VIGVURILUQUNSA-UHFFFAOYSA-N 0 0 338.885 4.035 10 0 EIAERN Nc1ccc(Cl)cc1NC(=O)c1ccc(F)cc1Br ZINC000021956829 212266417 /nfs/dbraw/zinc/26/64/17/212266417.db2.gz RLMOMZRIZMKIAQ-UHFFFAOYSA-N 0 0 343.583 4.076 10 0 EIAERN NC1=C(c2nc3ccccc3s2)CC(=O)N1c1ccc(Cl)cc1 ZINC000003885584 201583074 /nfs/dbraw/zinc/58/30/74/201583074.db2.gz SXDATDJWOZPUJP-UHFFFAOYSA-N 0 0 341.823 4.014 10 0 EIAERN NC(=S)c1ccc(Nc2cc(Cl)c(Cl)cc2Cl)nc1 ZINC000021030896 212202089 /nfs/dbraw/zinc/20/20/89/212202089.db2.gz FPMSFGAHLXYSAS-UHFFFAOYSA-N 0 0 332.643 4.420 10 0 EIAERN CC(C)(C)OC(=O)N1CCC(C(=O)c2cnc3ccccc3c2)CC1 ZINC000066354470 202884836 /nfs/dbraw/zinc/88/48/36/202884836.db2.gz QQHGUKHUOFGSJW-UHFFFAOYSA-N 0 0 340.423 4.065 10 0 EIAERN c1cc2c(nc(NCc3cccnc3)cc2-c2ccc3n[nH]cc3c2)[nH]1 ZINC000072145444 203169741 /nfs/dbraw/zinc/16/97/41/203169741.db2.gz MHUIYMPGDUQADE-UHFFFAOYSA-N 0 0 340.390 4.113 10 0 EIAERN CCOC(=O)C=C(Nc1ccc(C)cc1N)c1ccccc1Cl ZINC000072236447 203184668 /nfs/dbraw/zinc/18/46/68/203184668.db2.gz TYIOIJIZDUUOES-GZTJUZNOSA-N 0 0 330.815 4.247 10 0 EIAERN O=c1[nH]c(Nc2ccccc2)nc2nccc(-c3ccccc3Cl)c21 ZINC000072441117 203225830 /nfs/dbraw/zinc/22/58/30/203225830.db2.gz BPHMBRRGMSIKCY-UHFFFAOYSA-N 0 0 348.793 4.382 10 0 EIAERN Fc1ccc(/C=C/c2ccnc(N3CCc4ccccc4C3)n2)cc1 ZINC000072443615 203225835 /nfs/dbraw/zinc/22/58/35/203225835.db2.gz KNRUWEAFUHJCTE-JXMROGBWSA-N 0 0 331.394 4.349 10 0 EIAERN Cc1ccc(Nc2nc3nccc(-c4cccs4)c3c(=O)[nH]2)cc1 ZINC000072441135 203226116 /nfs/dbraw/zinc/22/61/16/203226116.db2.gz OYSOAIYWYYUPLB-UHFFFAOYSA-N 0 0 334.404 4.099 10 0 EIAERN N#CNc1nccc(-c2ccc(OCc3ccc(Cl)cc3)cc2)n1 ZINC000072448771 203227475 /nfs/dbraw/zinc/22/74/75/203227475.db2.gz MRCBDGSFHCFXHS-UHFFFAOYSA-N 0 0 336.782 4.269 10 0 EIAERN Cc1nn(-c2ccc(F)cc2)cc1-c1ccnc(-c2ccccc2)n1 ZINC000072462058 203227768 /nfs/dbraw/zinc/22/77/68/203227768.db2.gz WUMPAYLUWPKJLY-UHFFFAOYSA-N 0 0 330.366 4.444 10 0 EIAERN S=C(Nc1ccccc1Cl)N1CCCn2c3ccccc3nc21 ZINC000072465404 203229613 /nfs/dbraw/zinc/22/96/13/203229613.db2.gz ILRRFZNBNJUMHL-UHFFFAOYSA-N 0 0 342.855 4.297 10 0 EIAERN Cc1cccc(C(=O)Nc2c(C)cc(Br)cc2C)c1O ZINC000020045909 212097678 /nfs/dbraw/zinc/09/76/78/212097678.db2.gz GEQVJNBYMNROPO-UHFFFAOYSA-N 0 0 334.213 4.332 10 0 EIAERN COc1cc([C@H](C)Nc2ccc(Br)cc2F)ccc1O ZINC000019908034 212082068 /nfs/dbraw/zinc/08/20/68/212082068.db2.gz FLMCKQJAMDNTCN-VIFPVBQESA-N 0 0 340.192 4.476 10 0 EIAERN CC(=O)Nc1ccc(Sc2ccc(Br)cc2N)cc1 ZINC000019845647 212075249 /nfs/dbraw/zinc/07/52/49/212075249.db2.gz NPARYCISPZNXGR-UHFFFAOYSA-N 0 0 337.242 4.141 10 0 EIAERN CC(C)(C)OC(=O)N1CCC[C@H](SCc2cnc(Cl)s2)C1 ZINC000085333360 203542840 /nfs/dbraw/zinc/54/28/40/203542840.db2.gz LAMHFOWKTFRECB-JTQLQIEISA-N 0 0 348.921 4.429 10 0 EIAERN CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(Cl)nc1 ZINC000098213260 203987181 /nfs/dbraw/zinc/98/71/81/203987181.db2.gz UVYQZSSGENAJPJ-UHFFFAOYSA-N 0 0 328.796 4.412 10 0 EIAERN Ic1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000098178737 203987385 /nfs/dbraw/zinc/98/73/85/203987385.db2.gz RYDQEOCERXSKNN-UHFFFAOYSA-N 0 0 346.171 4.144 10 0 EIAERN CO[C@@H](CNC(=O)/C=C\c1ccc(SC)cc1)c1ccccc1C ZINC000101322464 204003824 /nfs/dbraw/zinc/00/38/24/204003824.db2.gz KTHZRHZTMSWSRV-XGCMIMOYSA-N 0 0 341.476 4.234 10 0 EIAERN O=C1OC2(CCCCC2)CN(Cc2ccccc2)[C@H]1Cc1ccccc1 ZINC000103283910 204071281 /nfs/dbraw/zinc/07/12/81/204071281.db2.gz LAILGRMGOOTHNT-NRFANRHFSA-N 0 0 349.474 4.360 10 0 EIAERN CC(C)c1nnc(Cl)n1[C@H](C)c1ccc(Br)cc1 ZINC000103928205 204089295 /nfs/dbraw/zinc/08/92/95/204089295.db2.gz QZBQRTADHUCSTI-SECBINFHSA-N 0 0 328.641 4.427 10 0 EIAERN Nc1cc(Br)cnc1Nc1cc(Cl)ccc1Cl ZINC000103941706 204090594 /nfs/dbraw/zinc/09/05/94/204090594.db2.gz XBDHQBCTGYJYBB-UHFFFAOYSA-N 0 0 333.016 4.477 10 0 EIAERN CCc1c(Cl)ncnc1N(C)Cc1ccc(Br)cc1 ZINC000104219891 204101306 /nfs/dbraw/zinc/10/13/06/204101306.db2.gz NIEMYGRFZGXTPC-UHFFFAOYSA-N 0 0 340.652 4.091 10 0 EIAERN Cc1c(Cl)ncnc1N[C@H](C)c1cccc(Br)c1 ZINC000104221401 204102190 /nfs/dbraw/zinc/10/21/90/204102190.db2.gz UYXQRGXZIXAPFJ-SECBINFHSA-N 0 0 326.625 4.374 10 0 EIAERN CN[C@@H](c1sccc1Br)c1c(F)cc(F)cc1F ZINC000104302279 204104812 /nfs/dbraw/zinc/10/48/12/204104812.db2.gz SQROLRCYTWAKAX-LLVKDONJSA-N 0 0 336.176 4.237 10 0 EIAERN OCc1ccc(Br)cc1Sc1cc(F)ccc1F ZINC000104301974 204105208 /nfs/dbraw/zinc/10/52/08/204105208.db2.gz OSQWSMHXHARKCG-UHFFFAOYSA-N 0 0 331.181 4.371 10 0 EIAERN Nc1cc(C(=O)Nc2ccc(Br)cc2F)ccc1Cl ZINC000019266715 212009986 /nfs/dbraw/zinc/00/99/86/212009986.db2.gz UZCBKSYNSSYTKC-UHFFFAOYSA-N 0 0 343.583 4.076 10 0 EIAERN Nc1ccc(N2CCCCC2)c(NC(=O)c2cccc(Cl)c2)c1 ZINC000226254956 205121638 /nfs/dbraw/zinc/12/16/38/205121638.db2.gz IRMLCBUQLACUBX-UHFFFAOYSA-N 0 0 329.831 4.165 10 0 EIAERN COc1cc(NC(=O)c2ccc(C(C)C)cc2)cc2sc(N)nc21 ZINC000226309694 205126190 /nfs/dbraw/zinc/12/61/90/205126190.db2.gz KNVGQUNGGWEUKW-UHFFFAOYSA-N 0 0 341.436 4.263 10 0 EIAERN Nc1ccc2nn(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)nc2c1 ZINC000226305364 205126420 /nfs/dbraw/zinc/12/64/20/205126420.db2.gz BYVDBGGNUJRJPJ-UHFFFAOYSA-N 0 0 344.462 4.471 10 0 EIAERN COc1ccc(N)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000226365405 205134299 /nfs/dbraw/zinc/13/42/99/205134299.db2.gz PDHJNWLFMLCXOH-UHFFFAOYSA-N 0 0 342.782 4.443 10 0 EIAERN COc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c(N)c1 ZINC000226348088 205130253 /nfs/dbraw/zinc/13/02/53/205130253.db2.gz KFWHMTMICWOWDY-UHFFFAOYSA-N 0 0 342.782 4.443 10 0 EIAERN CC1(C)[C@H]2CC[C@]1(C)C(=O)N(Cc1c(Cl)cccc1Cl)C2=O ZINC000226864076 205161704 /nfs/dbraw/zinc/16/17/04/205161704.db2.gz QSGVHWVYJSSOHR-APPDUMDISA-N 0 0 340.250 4.305 10 0 EIAERN O=c1c2ccccc2c(Cc2ccccc2)nn1Cc1ccccc1F ZINC000226864398 205161880 /nfs/dbraw/zinc/16/18/80/205161880.db2.gz GNSRIIRIOSIRRL-UHFFFAOYSA-N 0 0 344.389 4.175 10 0 EIAERN CC1(C)Cc2cc([C@@H](O)c3ccc(Br)s3)ccc2O1 ZINC000051755823 205564337 /nfs/dbraw/zinc/56/43/37/205564337.db2.gz WJWVVEJXWAOUFW-CQSZACIVSA-N 0 0 339.254 4.306 10 0 EIAERN CCOC(=O)c1c(C)c(C)sc1NC(=O)/C=C/c1ccc(F)cc1 ZINC000001948328 206354324 /nfs/dbraw/zinc/35/43/24/206354324.db2.gz WFGVKMSMBHXDLV-JXMROGBWSA-N 0 0 347.411 4.333 10 0 EIAERN Cc1ccc([C@H](C)NC(=O)N[C@H]2CCSc3c(F)cccc32)o1 ZINC000119440333 221321452 /nfs/dbraw/zinc/32/14/52/221321452.db2.gz YXAULBKKZWNJIW-FZMZJTMJSA-N 0 0 334.416 4.324 10 0 EIAERN Nc1ccc2c(c1)N(C(=O)c1ccc(Cl)cc1Cl)CCS2 ZINC000038051216 132396457 /nfs/dbraw/zinc/39/64/57/132396457.db2.gz MGZUOPYOXBEURW-UHFFFAOYSA-N 0 0 339.247 4.328 10 0 EIAERN Nc1ccc2c(c1)N(C(=O)c1cc(Cl)cc(Cl)c1)CCS2 ZINC000038051228 132396501 /nfs/dbraw/zinc/39/65/01/132396501.db2.gz VNWSWFMZORHMQB-UHFFFAOYSA-N 0 0 339.247 4.328 10 0 EIAERN C[C@H]1c2ccsc2CCN1c1cc(Br)ccc1C=O ZINC000042770262 132412504 /nfs/dbraw/zinc/41/25/04/132412504.db2.gz YIIJCTKARHZVDE-JTQLQIEISA-N 0 0 336.254 4.447 10 0 EIAERN O=C1CCN(c2nc(Cl)nc3cc(-c4ccccc4)sc32)CC1 ZINC000073737385 135620654 /nfs/dbraw/zinc/62/06/54/135620654.db2.gz JPIOYCCNURZMTE-UHFFFAOYSA-N 0 0 343.839 4.181 10 0 EIAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCC[C@@H]1c1ccncc1 ZINC000045438966 526907526 /nfs/dbraw/zinc/90/75/26/526907526.db2.gz ZQOKCKDQTAZOMZ-RRFJBIMHSA-N 0 0 341.377 4.049 10 0 EIAERN COc1cccc(NC(=O)Nc2c(C)[nH]nc2-c2ccsc2)c1 ZINC000034796772 563481164 /nfs/dbraw/zinc/48/11/64/563481164.db2.gz PYMDWABIZJHNRK-UHFFFAOYSA-N 0 0 328.397 4.099 10 0 EIAERN CC[C@@H](C)OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(C)cc1C ZINC000005909319 563553942 /nfs/dbraw/zinc/55/39/42/563553942.db2.gz CGBCRBYNAHLMOW-IXDOHACOSA-N 0 0 329.440 4.166 10 0 EIAERN Cc1c(Cl)c(=O)oc2cc(O[P@@](C)(=O)OC(C)C)ccc12 ZINC000038248375 563921728 /nfs/dbraw/zinc/92/17/28/563921728.db2.gz YZGZZWMODWINHA-NRFANRHFSA-N 0 0 330.704 4.382 10 0 EIAERN Cc1ccc(C=O)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 ZINC000040435156 563923101 /nfs/dbraw/zinc/92/31/01/563923101.db2.gz OFTIVOLVGWAZCP-UHFFFAOYSA-N 0 0 346.386 4.034 10 0 EIAERN Cc1nn(C(C)C)cc1NCc1cc(F)ccc1Br ZINC000725242437 563975060 /nfs/dbraw/zinc/97/50/60/563975060.db2.gz FDHHDLOYMWOKNH-UHFFFAOYSA-N 0 0 326.213 4.286 10 0 EIAERN CC(C)(C)OC(=O)NCc1ccc(Oc2ccc(C=O)cc2)cc1 ZINC000098095996 563982238 /nfs/dbraw/zinc/98/22/38/563982238.db2.gz UTZOIUSLOLWAFO-UHFFFAOYSA-N 0 0 327.380 4.316 10 0 EIAERN CCCCO[C@H](C)OCCC(F)(F)C(F)(F)Br ZINC000098210589 563982256 /nfs/dbraw/zinc/98/22/56/563982256.db2.gz QMEXHUCZGDTTAM-QMMMGPOBSA-N 0 0 325.140 4.179 10 0 EIAERN CC[C@@H]1CN(Cc2cccc(C)c2Br)C[C@@H](CC)O1 ZINC000725262829 563986391 /nfs/dbraw/zinc/98/63/91/563986391.db2.gz WPPJNDLJGIAVMH-HUUCEWRRSA-N 0 0 326.278 4.147 10 0 EIAERN O=COc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000197381191 564028497 /nfs/dbraw/zinc/02/84/97/564028497.db2.gz NPTJCHCMEQXFNC-UHFFFAOYSA-N 0 0 334.371 4.380 10 0 EIAERN COc1ccc(NC(=O)c2cccc3[nH]cc(C[NH+]4CCCC4)c32)cc1 ZINC000075483511 564086701 /nfs/dbraw/zinc/08/67/01/564086701.db2.gz CVEWRYAAUABIHD-UHFFFAOYSA-N 0 0 349.434 4.025 10 0 EIAERN Cc1nc2snc(Br)c2c(C)c1C(=O)OC(C)(C)C ZINC000536953912 564091739 /nfs/dbraw/zinc/09/17/39/564091739.db2.gz JWJXQIBDEFIFBV-UHFFFAOYSA-N 0 0 343.246 4.026 10 0 EIAERN CSc1ncc(C(=O)Nc2ccc(C)c(C)c2)c(C(F)(F)F)n1 ZINC000006938336 564101878 /nfs/dbraw/zinc/10/18/78/564101878.db2.gz SSDBGEDXBAPGEI-UHFFFAOYSA-N 0 0 341.358 4.086 10 0 EIAERN CCc1nc2c(-c3ccccc3)noc2c(NCCc2ccco2)n1 ZINC000065329958 564105276 /nfs/dbraw/zinc/10/52/76/564105276.db2.gz GRCQHSAONIEFOQ-UHFFFAOYSA-N 0 0 334.379 4.095 10 0 EIAERN CCOC(=O)c1sc(Br)cc1CC(F)(F)CC ZINC000675058128 564112181 /nfs/dbraw/zinc/11/21/81/564112181.db2.gz TXJXLWNFGXUTAS-UHFFFAOYSA-N 0 0 327.190 4.275 10 0 EIAERN CCC1(C)CC[NH+](Cc2cc(C(=O)[O-])ccc2Br)CC1 ZINC000675072764 564112764 /nfs/dbraw/zinc/11/27/64/564112764.db2.gz HIIIZXAIQBRKCZ-UHFFFAOYSA-N 0 0 340.261 4.159 10 0 EIAERN C[C@H]1CCC[C@]1(O)c1cc(Br)cc(Br)c1 ZINC000521401885 564118275 /nfs/dbraw/zinc/11/82/75/564118275.db2.gz SEBOYSIJLAZHOC-QPUJVOFHSA-N 0 0 334.051 4.219 10 0 EIAERN O=C(N[C@H](c1cc2ccccc2o1)c1cccnc1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000253370365 564130336 /nfs/dbraw/zinc/13/03/36/564130336.db2.gz PYDLKGUXYSJLST-FIYPYCPBSA-N 0 0 332.403 4.080 10 0 EIAERN COc1ccc(NC(=O)Nc2c(C3=CCCCC3)c(C)nn2C)cc1 ZINC000013365684 564136283 /nfs/dbraw/zinc/13/62/83/564136283.db2.gz QQNQZUYUHWPMFH-UHFFFAOYSA-N 0 0 340.427 4.339 10 0 EIAERN CC(C)CC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 ZINC000685961457 564177177 /nfs/dbraw/zinc/17/71/77/564177177.db2.gz IUJSHXRHBDEPHZ-CRAIPNDOSA-N 0 0 349.471 4.100 10 0 EIAERN C[C@@H](COCc1ccccc1)CC(=O)C[C@H](C)NC(=O)OC(C)(C)C ZINC000685962158 564177248 /nfs/dbraw/zinc/17/72/48/564177248.db2.gz WRVAETOGVNSBME-CVEARBPZSA-N 0 0 349.471 4.102 10 0 EIAERN CCN(CC(=O)C[C@@H](C)COCc1ccccc1)C(=O)OC(C)(C)C ZINC000685962739 564177260 /nfs/dbraw/zinc/17/72/60/564177260.db2.gz RTAZIIPYSMYKGO-MRXNPFEDSA-N 0 0 349.471 4.056 10 0 EIAERN C[C@@H](C(=O)CCCOCc1ccccc1)[C@H](C)NC(=O)OC(C)(C)C ZINC000405806569 564177602 /nfs/dbraw/zinc/17/76/02/564177602.db2.gz CPXFIEJLUATLCV-CVEARBPZSA-N 0 0 349.471 4.102 10 0 EIAERN CCCN(CC(=O)CCCOCc1ccccc1)C(=O)OC(C)(C)C ZINC000405525168 564177614 /nfs/dbraw/zinc/17/76/14/564177614.db2.gz XCJISSSRFUOEMI-UHFFFAOYSA-N 0 0 349.471 4.200 10 0 EIAERN Cc1cc(C)n(CC2CCN(C(=O)c3cccc4ccccc43)CC2)n1 ZINC000062130877 1032142638 /nfs/dbraw/zinc/14/26/38/1032142638.db2.gz GOPKYSVFPQCOST-UHFFFAOYSA-N 0 0 347.462 4.206 10 0 EIAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3ccccc3F)C2)cc1 ZINC000120801818 1032443583 /nfs/dbraw/zinc/44/35/83/1032443583.db2.gz OIMJUVGHHKTHMO-DZGCQCFKSA-N 0 0 328.387 4.244 10 0 EIAERN O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113895571 1021165008 /nfs/dbraw/zinc/16/50/08/1021165008.db2.gz MCNZXBDBSGGEOP-FQEVSTJZSA-N 0 0 348.450 4.137 10 0 EIAERN CCOc1ccc([C@@H]2CCCN2C(=O)N[C@H](C)c2nccs2)cc1 ZINC000106278830 1022859184 /nfs/dbraw/zinc/85/91/84/1022859184.db2.gz NCMSFLDTXNZXRH-CJNGLKHVSA-N 0 0 345.468 4.150 10 0 EIAERN CCN(Cc1ncc(-c2ccccc2Cl)o1)Cc1ccccn1 ZINC000119778882 1026492617 /nfs/dbraw/zinc/49/26/17/1026492617.db2.gz AMDKAEAMBXUOEP-UHFFFAOYSA-N 0 0 327.815 4.412 10 0 EIAERN O=C(Nc1ccc2c(c1)CCC2)N1CCC[C@H](c2nccs2)C1 ZINC000114805814 1029615025 /nfs/dbraw/zinc/61/50/25/1029615025.db2.gz GJIGPFCBYHQTHT-HNNXBMFYSA-N 0 0 327.453 4.043 10 0 EIAERN CCOc1ccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)c(C)c1 ZINC000114810858 1029620845 /nfs/dbraw/zinc/62/08/45/1029620845.db2.gz XBQNKYYRXBQAOH-CQSZACIVSA-N 0 0 345.468 4.262 10 0 EIAERN Cc1cc2cc(NC(=O)N3CCC[C@H](c4nccs4)C3)ccc2[nH]1 ZINC000114814810 1029625445 /nfs/dbraw/zinc/62/54/45/1029625445.db2.gz KRHZEIOPVWUGAH-ZDUSSCGKSA-N 0 0 340.452 4.344 10 0 EIAERN O=C(Nc1cccc(-c2ncon2)c1)c1ccc(Cl)cc1Cl ZINC000101526389 1030697091 /nfs/dbraw/zinc/69/70/91/1030697091.db2.gz UMAWXECBKHMDRC-UHFFFAOYSA-N 0 0 334.162 4.296 10 0 EIAERN O=C(c1csc(-c2ccsc2)n1)N1CCC[C@@H]1c1ccco1 ZINC000116046502 1030752373 /nfs/dbraw/zinc/75/23/73/1030752373.db2.gz FHCDXYCIYKFSKQ-CYBMUJFWSA-N 0 0 330.434 4.442 10 0 EIAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cccc4ncccc43)C2)cc1 ZINC000122291761 1030753911 /nfs/dbraw/zinc/75/39/11/1030753911.db2.gz SXXNUNFGDZLXFK-WBVHZDCISA-N 0 0 346.430 4.262 10 0 EIAERN COc1cccc([C@@H]2C[C@H]2C(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000117719882 1031208574 /nfs/dbraw/zinc/20/85/74/1031208574.db2.gz JDLXYECDFOZIBF-ZWKOTPCHSA-N 0 0 339.460 4.176 10 0 EIAERN CC(C)(C)[C@@H](NC(=O)N1CCCC[C@@H]1c1ncc[nH]1)c1cccs1 ZINC000106537353 1031276393 /nfs/dbraw/zinc/27/63/93/1031276393.db2.gz JBWLVSMZFMRASH-HIFRSBDPSA-N 0 0 346.500 4.495 10 0 EIAERN Cc1cccc([C@H](C)NC(=O)N2CCC[C@H](c3nccs3)C2)c1C ZINC000115858713 1031382864 /nfs/dbraw/zinc/38/28/64/1031382864.db2.gz JWXRPARCRXVUIP-HOTGVXAUSA-N 0 0 343.496 4.410 10 0 EIAERN CN(C)c1ccc(NC(=O)N2CC=C(c3ccccc3F)CC2)cc1 ZINC000119439274 1031413401 /nfs/dbraw/zinc/41/34/01/1031413401.db2.gz OCCWCJOIFGHESK-UHFFFAOYSA-N 0 0 339.414 4.213 10 0 EIAERN O=C(Cc1cnc2ccccc2c1)N1CC=C(c2ccccc2)CC1 ZINC000118757576 1031576109 /nfs/dbraw/zinc/57/61/09/1031576109.db2.gz FTLBAPWNXSQTEZ-UHFFFAOYSA-N 0 0 328.415 4.093 10 0 EIAERN CC(C)(C)[C@@H](NC(=O)N1CCO[C@H](c2ccco2)C1)c1cccs1 ZINC000128846713 1031762471 /nfs/dbraw/zinc/76/24/71/1031762471.db2.gz SEAQGWYBGZBYOY-HOCLYGCPSA-N 0 0 348.468 4.211 10 0 EIAERN CCCCc1noc([C@@H](C)N2CCC(Nc3ccccc3F)CC2)n1 ZINC000128950394 1031768174 /nfs/dbraw/zinc/76/81/74/1031768174.db2.gz MYSDYQBMXHNDAL-CQSZACIVSA-N 0 0 346.450 4.189 10 0 EIAERN O=C(c1cccc(-c2ccoc2)c1)N1CCC[C@H](c2nccs2)C1 ZINC000089815751 1039121968 /nfs/dbraw/zinc/12/19/68/1039121968.db2.gz CFMPEMSJBYPBSL-INIZCTEOSA-N 0 0 338.432 4.423 10 0 EIAERN CCOc1ccc(CN[C@H](c2ncon2)c2ccc(Cl)cc2)cc1 ZINC000090202707 1039200913 /nfs/dbraw/zinc/20/09/13/1039200913.db2.gz GAVCDPKOKUJTNT-KRWDZBQOSA-N 0 0 343.814 4.001 10 0 EIAERN COc1ccc(F)cc1NC(=O)N1CC=C(c2cccs2)CC1 ZINC000092107178 1039477545 /nfs/dbraw/zinc/47/75/45/1039477545.db2.gz RHDHQQNNGNRLBB-UHFFFAOYSA-N 0 0 332.400 4.217 10 0 EIAERN O=C(CCc1ccc(Cl)s1)N1CCC[C@H](c2nccs2)C1 ZINC000067047492 1045735644 /nfs/dbraw/zinc/73/56/44/1045735644.db2.gz MHVQETMYOJFGNQ-NSHDSACASA-N 0 0 340.901 4.197 10 0 EIAERN CC(C)CO[C@H](C)c1noc(CN2CC=C(c3ccccc3)CC2)n1 ZINC000074981516 1045821361 /nfs/dbraw/zinc/82/13/61/1045821361.db2.gz SQAYEHYTTVCTHI-MRXNPFEDSA-N 0 0 341.455 4.093 10 0 EIAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3csc(C(C)C)n3)C2)cc1 ZINC000078187979 1046009596 /nfs/dbraw/zinc/00/95/96/1046009596.db2.gz CIKCWHYAKHOQBS-ZFWWWQNUSA-N 0 0 344.480 4.293 10 0 EIAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc4ncccc4c3)C2)cc1 ZINC000078187052 1046010241 /nfs/dbraw/zinc/01/02/41/1046010241.db2.gz ZLYUIJGQZSMEBO-DNVCBOLYSA-N 0 0 346.430 4.262 10 0 EIAERN Cc1cnc([C@@H](C)NC(=O)N2CC=C(c3cccs3)CC2)s1 ZINC000078350598 1046027665 /nfs/dbraw/zinc/02/76/65/1046027665.db2.gz GLWNFVYLBYSWIY-GFCCVEGCSA-N 0 0 333.482 4.073 10 0 EIAERN O=C(CSCCOc1ccccc1)N1CCC[C@H]1c1cccs1 ZINC000078349904 1046029533 /nfs/dbraw/zinc/02/95/33/1046029533.db2.gz IICNPDXQZBISNF-INIZCTEOSA-N 0 0 347.505 4.224 10 0 EIAERN COc1cccc([S@@](=O)Cc2ncc(-c3ccccc3Cl)o2)c1 ZINC000080140056 1046454747 /nfs/dbraw/zinc/45/47/47/1046454747.db2.gz YDGJWAYYLHQMHP-HSZRJFAPSA-N 0 0 347.823 4.311 10 0 EIAERN COc1cccc([S@](=O)Cc2ncc(-c3ccccc3Cl)o2)c1 ZINC000080140057 1046455600 /nfs/dbraw/zinc/45/56/00/1046455600.db2.gz YDGJWAYYLHQMHP-QHCPKHFHSA-N 0 0 347.823 4.311 10 0 EIAERN O=C(Nc1cccc(Oc2ccccc2)c1)[C@@H]1CCCn2ccnc21 ZINC000081106474 1046907027 /nfs/dbraw/zinc/90/70/27/1046907027.db2.gz WEYPMTQSINCMIP-GOSISDBHSA-N 0 0 333.391 4.192 10 0 EIAERN Cc1cc([C@@H](O)Cc2ccc(Br)cc2F)ccc1F ZINC000053785196 214197710 /nfs/dbraw/zinc/19/77/10/214197710.db2.gz FQYZKYOBWKDFHC-HNNXBMFYSA-N 0 0 327.168 4.312 10 0 EIAERN O[C@H](Cc1ccc(Br)cc1F)Cc1ccccc1Cl ZINC000053786858 214198927 /nfs/dbraw/zinc/19/89/27/214198927.db2.gz YULYBGRSPHQMTB-ZDUSSCGKSA-N 0 0 343.623 4.388 10 0 EIAERN Cc1ccc(-c2c(N)n[nH]c2-c2ccc(Br)s2)cc1 ZINC000055332631 214308733 /nfs/dbraw/zinc/30/87/33/214308733.db2.gz UCPMJVUJXRNKQY-UHFFFAOYSA-N 0 0 334.242 4.458 10 0 EIAERN Cc1ccc([C@H](C)NC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)o1 ZINC000056799068 214388691 /nfs/dbraw/zinc/38/86/91/214388691.db2.gz BLMVVTAURTZJKS-GUYCJALGSA-N 0 0 348.830 4.086 10 0 EIAERN CCC(=O)Oc1c(CC)s/c(=N\c2cccc(C)c2)n1C(=O)CC ZINC000011638135 201810589 /nfs/dbraw/zinc/81/05/89/201810589.db2.gz OTSAJKHMSODSGY-HNENSFHCSA-N 0 0 346.452 4.018 10 0 EIAERN Cc1nc([C@H](C)Nc2nncc(-c3cccc(Cl)c3)n2)c(C)s1 ZINC000012192228 201830599 /nfs/dbraw/zinc/83/05/99/201830599.db2.gz MCDZOLMWAKXCGW-VIFPVBQESA-N 0 0 345.859 4.438 10 0 EIAERN COc1cc(O)cc(CCc2ccc(OC)c(O)c2CC=C(C)C)c1 ZINC000013383072 201893614 /nfs/dbraw/zinc/89/36/14/201893614.db2.gz NGQFSSVGVDXEOE-UHFFFAOYSA-N 0 0 342.435 4.409 10 0 biogenic EIAERN Cc1sc2ncnc(NCCCO)c2c1-c1ccc(Cl)cc1 ZINC000020321544 202038027 /nfs/dbraw/zinc/03/80/27/202038027.db2.gz RFTDQIUUDQKXSS-UHFFFAOYSA-N 0 0 333.844 4.114 10 0 EIAERN Cc1nc2scc(-c3ccc(C(C)C)cc3)c2c(N(C)CCO)n1 ZINC000020318693 202038265 /nfs/dbraw/zinc/03/82/65/202038265.db2.gz LVMGIBOURSYXHB-UHFFFAOYSA-N 0 0 341.480 4.219 10 0 EIAERN CCc1ccc(CNc2ccc(I)cc2)cc1 ZINC000020477919 202043686 /nfs/dbraw/zinc/04/36/86/202043686.db2.gz OUSFHKMTKBACLT-UHFFFAOYSA-N 0 0 337.204 4.466 10 0 EIAERN O[C@@H](CNc1cc(Br)ccc1F)c1ccc(Cl)cc1 ZINC000037891765 202052191 /nfs/dbraw/zinc/05/21/91/202052191.db2.gz ZCGRJTPAIUEAGS-AWEZNQCLSA-N 0 0 344.611 4.387 10 0 EIAERN O[C@H](CNc1cc(Br)ccc1F)c1ccc(Cl)cc1 ZINC000037891764 202052199 /nfs/dbraw/zinc/05/21/99/202052199.db2.gz ZCGRJTPAIUEAGS-CQSZACIVSA-N 0 0 344.611 4.387 10 0 EIAERN CC[C@H](C)NC(=O)c1ccc(-c2noc(-c3ccc(C)cc3)n2)s1 ZINC000021713295 202068326 /nfs/dbraw/zinc/06/83/26/202068326.db2.gz BMPJECJLPITFNN-LBPRGKRZSA-N 0 0 341.436 4.302 10 0 EIAERN COc1ccc([C@@H](CC(=O)Nc2ccccc2F)n2cccc2)cc1 ZINC000020997489 202060998 /nfs/dbraw/zinc/06/09/98/202060998.db2.gz QUCNMSNSQGQYAX-LJQANCHMSA-N 0 0 338.382 4.254 10 0 EIAERN CCOC(=O)c1cccnc1N[C@H](C)c1cccc(Br)c1 ZINC000038012652 202084039 /nfs/dbraw/zinc/08/40/39/202084039.db2.gz YALQECYWUHTUKZ-LLVKDONJSA-N 0 0 349.228 4.194 10 0 EIAERN O=C(N[C@H]1CCCC[C@H]1C(F)(F)F)c1cnc(Cl)c(Cl)c1 ZINC000037981253 202074683 /nfs/dbraw/zinc/07/46/83/202074683.db2.gz KOBBFOFYTCAVGR-SCZZXKLOSA-N 0 0 341.160 4.239 10 0 EIAERN CCc1noc(C)c1C(=O)N(CC)c1nc2c(cccc2C)s1 ZINC000024635463 202117945 /nfs/dbraw/zinc/11/79/45/202117945.db2.gz VVVZFLARTYQGAY-UHFFFAOYSA-N 0 0 329.425 4.130 10 0 EIAERN COc1cc2c(cc1OC)[C@@H](CC(=O)Nc1cccc(C)c1)CC2 ZINC000028826642 202177875 /nfs/dbraw/zinc/17/78/75/202177875.db2.gz WDUQVSVFAYHYJZ-OAHLLOKOSA-N 0 0 325.408 4.071 10 0 EIAERN CCc1ccccc1NC(=O)CCn1c(=O)cc(C)c2cccc(C)c21 ZINC000032526914 202226586 /nfs/dbraw/zinc/22/65/86/202226586.db2.gz SXNWCOPYHGFSSF-UHFFFAOYSA-N 0 0 348.446 4.210 10 0 EIAERN Cc1cc(C)cc(NC(=O)CCn2c(=O)cc(C)c3cccc(C)c32)c1 ZINC000032526925 202226674 /nfs/dbraw/zinc/22/66/74/202226674.db2.gz MTDRQVCUHRORNN-UHFFFAOYSA-N 0 0 348.446 4.264 10 0 EIAERN COc1cc(C(=O)Nc2ccnc3ccc(Cl)cc32)ccc1C ZINC000032605142 202229297 /nfs/dbraw/zinc/22/92/97/202229297.db2.gz OROQOCFURNFYFD-UHFFFAOYSA-N 0 0 326.783 4.458 10 0 EIAERN C/C(=C/c1ccccc1)C(=O)Nc1nnc(CCc2ccccc2)s1 ZINC000033864191 202269872 /nfs/dbraw/zinc/26/98/72/202269872.db2.gz JMENYQWNHJBTRM-PFONDFGASA-N 0 0 349.459 4.365 10 0 EIAERN COC(=O)c1nc(N2CCCC2)c2ccccc2c1-c1ccccc1 ZINC000033876277 202269986 /nfs/dbraw/zinc/26/99/86/202269986.db2.gz FEGQKTJLDMNHCC-UHFFFAOYSA-N 0 0 332.403 4.289 10 0 EIAERN CCn1nc(-c2ccccc2OC)cc1C(=O)Nc1cccc(C)c1 ZINC000034903287 202279865 /nfs/dbraw/zinc/27/98/65/202279865.db2.gz MDFASTSDVRTDNA-UHFFFAOYSA-N 0 0 335.407 4.139 10 0 EIAERN Oc1cccc(-c2noc(-c3cc(F)ccc3Br)n2)c1 ZINC000034956199 202281922 /nfs/dbraw/zinc/28/19/22/202281922.db2.gz RREYVFMULYJKQY-UHFFFAOYSA-N 0 0 335.132 4.011 10 0 EIAERN Cc1nc2ccccc2n1CC(=O)c1ccc(Br)s1 ZINC000034979812 202282653 /nfs/dbraw/zinc/28/26/53/202282653.db2.gz NOHHWRAFTGNVIV-UHFFFAOYSA-N 0 0 335.226 4.052 10 0 EIAERN O=C(CN1CC[C@@H]2CCCC[C@@H]2C1)c1ccc(Br)s1 ZINC000035037573 202285278 /nfs/dbraw/zinc/28/52/78/202285278.db2.gz NLEVHFKQCNBYAH-NWDGAFQWSA-N 0 0 342.302 4.205 10 0 EIAERN C[C@@H](CCc1ccco1)Nc1ccc(I)cc1 ZINC000035451937 202303115 /nfs/dbraw/zinc/30/31/15/202303115.db2.gz AJRMJTMUKKXSRE-NSHDSACASA-N 0 0 341.192 4.317 10 0 EIAERN Cc1c2ccccc2oc1-c1nnc(C(=O)Nc2ccc(F)cc2)o1 ZINC000035503516 202304927 /nfs/dbraw/zinc/30/49/27/202304927.db2.gz WFWBGXQZLYZXLH-UHFFFAOYSA-N 0 0 337.310 4.183 10 0 EIAERN CCN[C@@H](c1ccc(Br)cc1)C(F)(F)C(F)(F)F ZINC000035538838 202306030 /nfs/dbraw/zinc/30/60/30/202306030.db2.gz RBEZPPLIMVUTPS-VIFPVBQESA-N 0 0 332.110 4.297 10 0 EIAERN CCCN(Cc1cc(-c2ccccc2)on1)C(=O)c1cccs1 ZINC000036005984 202312124 /nfs/dbraw/zinc/31/21/24/202312124.db2.gz IIHDCLFFHUWAKP-UHFFFAOYSA-N 0 0 326.421 4.456 10 0 EIAERN Cc1ccc(C(=O)N2CCC[C@H](OCc3cccc(F)c3F)C2)cc1 ZINC000036315298 202322104 /nfs/dbraw/zinc/32/21/04/202322104.db2.gz IDADHPIAOBOMTE-KRWDZBQOSA-N 0 0 345.389 4.095 10 0 EIAERN Cc1cccc(C(=O)N2CCC[C@@H](OCc3cccc(F)c3F)C2)c1 ZINC000036315331 202322230 /nfs/dbraw/zinc/32/22/30/202322230.db2.gz MPUSBAUFCOSMOH-QGZVFWFLSA-N 0 0 345.389 4.095 10 0 EIAERN COC(=O)c1cc(-c2ccccc2O)nc2onc(-c3ccccc3)c21 ZINC000036617358 202327545 /nfs/dbraw/zinc/32/75/45/202327545.db2.gz OOGHFGDLFTUYAW-UHFFFAOYSA-N 0 0 346.342 4.049 10 0 EIAERN COc1ccc(C(=O)c2ccc(Br)s2)c(Cl)c1 ZINC000036767287 202331492 /nfs/dbraw/zinc/33/14/92/202331492.db2.gz XCBXRUQMLNCLMC-UHFFFAOYSA-N 0 0 331.618 4.404 10 0 EIAERN COc1c(Br)cc(Cl)cc1N[C@H](C)c1cc[nH]n1 ZINC000037907496 202374671 /nfs/dbraw/zinc/37/46/71/202374671.db2.gz GYWGQGFDWKICFW-SSDOTTSWSA-N 0 0 330.613 4.007 10 0 EIAERN CCN(Cc1ccco1)C(=O)c1cc(Br)ccc1Cl ZINC000037983639 202382697 /nfs/dbraw/zinc/38/26/97/202382697.db2.gz GHCZGSRQZSEWLK-UHFFFAOYSA-N 0 0 342.620 4.358 10 0 EIAERN C[C@H](C(=O)c1ccc(Cl)cc1Cl)n1cc(Br)cn1 ZINC000038054575 202390158 /nfs/dbraw/zinc/39/01/58/202390158.db2.gz XNCNPZJZPWVYBD-SSDOTTSWSA-N 0 0 348.027 4.396 10 0 EIAERN O=C(Nc1ccnc2ccc(Br)cc21)c1ccccc1F ZINC000041057909 202471328 /nfs/dbraw/zinc/47/13/28/202471328.db2.gz NUIIALRJZCEZCT-UHFFFAOYSA-N 0 0 345.171 4.389 10 0 EIAERN Cc1cc(C)c2nccc(NC(=O)c3ccc(Br)o3)c2c1 ZINC000041057048 202471766 /nfs/dbraw/zinc/47/17/66/202471766.db2.gz UZOCCNJMPWFBKR-UHFFFAOYSA-N 0 0 345.196 4.459 10 0 EIAERN CN(C(=O)C(F)(F)F)c1ccc2oc(-c3ccccc3F)nc2c1 ZINC000226270362 201037286 /nfs/dbraw/zinc/03/72/86/201037286.db2.gz MVFMVPZWZCODGY-UHFFFAOYSA-N 0 0 338.260 4.159 10 0 EIAERN CCN(CC)c1ccc(N)cc1NC(=O)c1ccc(OC(C)C)cc1 ZINC000226261670 201037789 /nfs/dbraw/zinc/03/77/89/201037789.db2.gz KYDCSRZBJFFMNV-UHFFFAOYSA-N 0 0 341.455 4.155 10 0 EIAERN COc1c(Cl)cc(C(=O)Nc2cccc([C@@H](C)O)c2)cc1Cl ZINC000226274632 201037804 /nfs/dbraw/zinc/03/78/04/201037804.db2.gz WTEMCHYBYUEQHG-SECBINFHSA-N 0 0 340.206 4.308 10 0 EIAERN Cc1cc(N(C)C(=O)C(F)(F)F)cc2nc(Cc3ccccc3)oc21 ZINC000226271293 201037847 /nfs/dbraw/zinc/03/78/47/201037847.db2.gz JPVMKXPBVXBGAP-UHFFFAOYSA-N 0 0 348.324 4.252 10 0 EIAERN Cc1nnc2sc(-c3ccc(OCc4ccc(C)cc4)cc3)nn12 ZINC000226298445 201038551 /nfs/dbraw/zinc/03/85/51/201038551.db2.gz NDSVYKWLOAKLDJ-UHFFFAOYSA-N 0 0 336.420 4.049 10 0 EIAERN CCCC(=O)Nc1sc(Br)nc1-c1cccs1 ZINC000032500043 201070073 /nfs/dbraw/zinc/07/00/73/201070073.db2.gz QBNMGZXMSNEBIK-UHFFFAOYSA-N 0 0 331.260 4.373 10 0 EIAERN Cn1ccc2ncnc(Oc3ccc(C(=O)Nc4ccccc4)cc3)c21 ZINC000064413864 201053464 /nfs/dbraw/zinc/05/34/64/201053464.db2.gz CESRDTYIWAIHRI-UHFFFAOYSA-N 0 0 344.374 4.013 10 0 EIAERN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cnn(-c2ccccc2)c1 ZINC000031333283 201068022 /nfs/dbraw/zinc/06/80/22/201068022.db2.gz MGYGFZUBVRAFNR-AWEZNQCLSA-N 0 0 339.826 4.359 10 0 EIAERN OCc1cc(Cc2cccc3ccccc32)cc(Br)c1O ZINC000040542257 201088870 /nfs/dbraw/zinc/08/88/70/201088870.db2.gz RWLHZXRMIJHHMO-UHFFFAOYSA-N 0 0 343.220 4.391 10 0 EIAERN COc1cccc([C@@H]2CCCN2C(=O)Nc2ccccc2N(C)C)c1 ZINC000044081492 201101315 /nfs/dbraw/zinc/10/13/15/201101315.db2.gz NQFIWYIXMNVRDZ-SFHVURJKSA-N 0 0 339.439 4.130 10 0 EIAERN CCc1ccc2ncc(S(=O)(=O)c3ccccc3)c(Cl)c2c1 ZINC000085345592 202614399 /nfs/dbraw/zinc/61/43/99/202614399.db2.gz VQOPCSSJQGVDTE-UHFFFAOYSA-N 0 0 331.824 4.283 10 0 EIAERN O[C@@H](Cc1cc(Br)cs1)Cc1ccc(Cl)cc1 ZINC000053783445 202662441 /nfs/dbraw/zinc/66/24/41/202662441.db2.gz IXHXQKQLDCJEJA-GFCCVEGCSA-N 0 0 331.662 4.310 10 0 EIAERN Nc1cc(NC(=O)c2cc(F)ccc2Br)ccc1Cl ZINC000022146002 212279373 /nfs/dbraw/zinc/27/93/73/212279373.db2.gz DVKWXNPMQIGEMA-UHFFFAOYSA-N 0 0 343.583 4.076 10 0 EIAERN O=C1CS[C@H](c2ccccn2)N1c1ccc(Cl)c(Cl)c1 ZINC000000431378 201472888 /nfs/dbraw/zinc/47/28/88/201472888.db2.gz LAMSNXASONJHIQ-CQSZACIVSA-N 0 0 325.220 4.167 10 0 EIAERN COc1cccc(Oc2ccc(I)cc2)c1 ZINC000021999344 212268737 /nfs/dbraw/zinc/26/87/37/212268737.db2.gz XYNHNVFSMCSYAM-UHFFFAOYSA-N 0 0 326.133 4.092 10 0 EIAERN Nc1cc(Cl)ccc1C(=O)Nc1ccc(F)cc1Br ZINC000020430043 212127759 /nfs/dbraw/zinc/12/77/59/212127759.db2.gz XCCAEQJHHWMIDJ-UHFFFAOYSA-N 0 0 343.583 4.076 10 0 EIAERN C[C@@H](NC(=O)c1cc(C(C)(C)C)nn1C)c1ccc2ccccc2c1 ZINC000071944818 203154111 /nfs/dbraw/zinc/15/41/11/203154111.db2.gz ANCBGTOTUCRWIV-CQSZACIVSA-N 0 0 335.451 4.362 10 0 EIAERN COc1ccc(CNc2nc(N3CCCCC3)nc3ccccc32)cc1 ZINC000072260750 203184978 /nfs/dbraw/zinc/18/49/78/203184978.db2.gz ABURKSYYJWEUCN-UHFFFAOYSA-N 0 0 348.450 4.241 10 0 EIAERN Cc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)[nH]c2=O)cc1C ZINC000072450936 203227454 /nfs/dbraw/zinc/22/74/54/203227454.db2.gz GKAANWCXPMODGB-UHFFFAOYSA-N 0 0 336.366 4.050 10 0 EIAERN O=C(/C=C/c1ccc(Cl)cc1)N1CCCn2c3ccccc3nc21 ZINC000072465441 203229076 /nfs/dbraw/zinc/22/90/76/203229076.db2.gz TVQJMMUQAVHAJK-DHZHZOJOSA-N 0 0 337.810 4.140 10 0 EIAERN NC(=S)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1cccs1 ZINC000072413982 203218343 /nfs/dbraw/zinc/21/83/43/203218343.db2.gz FIYGRHFEKJOISL-MRXNPFEDSA-N 0 0 337.473 4.296 10 0 EIAERN C=Cc1c(CN(C)CC(C)=O)c2ccccc2n1Cc1ccccc1 ZINC000075567693 203318464 /nfs/dbraw/zinc/31/84/64/203318464.db2.gz VFVKOQBBRXVQNT-UHFFFAOYSA-N 0 0 332.447 4.353 10 0 EIAERN CC(=O)Nc1ccc(CNc2ccc(Br)cc2F)cc1 ZINC000019907963 212082125 /nfs/dbraw/zinc/08/21/25/212082125.db2.gz PPQIWYZLONYABX-UHFFFAOYSA-N 0 0 337.192 4.159 10 0 EIAERN Cc1ccc(C)c(CC(=O)N2C[C@H](c3ccccc3)OCC2(C)C)c1 ZINC000078463746 203418370 /nfs/dbraw/zinc/41/83/70/203418370.db2.gz VTECLJKBUXMKSM-HXUWFJFHSA-N 0 0 337.463 4.225 10 0 EIAERN CC(C)[C@@H](C)NC(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000078802123 203430010 /nfs/dbraw/zinc/43/00/10/203430010.db2.gz ZPGLXHLCWXJIIZ-LLVKDONJSA-N 0 0 340.349 4.057 10 0 EIAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CCCOCc1ccccn1 ZINC000095086294 203712540 /nfs/dbraw/zinc/71/25/40/203712540.db2.gz VHXFXUQBFADAGF-QGZVFWFLSA-N 0 0 334.460 4.168 10 0 EIAERN Nc1ccc(NC(=O)c2cc(Br)ccc2F)c(Cl)c1 ZINC000019422772 212027557 /nfs/dbraw/zinc/02/75/57/212027557.db2.gz SMBXPLLTCDBQIY-UHFFFAOYSA-N 0 0 343.583 4.076 10 0 EIAERN O=C(Cn1ccc2cc(F)ccc21)c1ccc(Br)s1 ZINC000104427526 204109857 /nfs/dbraw/zinc/10/98/57/204109857.db2.gz LJGCGAMUTWLFTQ-UHFFFAOYSA-N 0 0 338.201 4.487 10 0 EIAERN CCN(C(=O)c1sccc1Br)c1cc(O)ccc1C ZINC000104302308 204104704 /nfs/dbraw/zinc/10/47/04/204104704.db2.gz YDVRSJYOVYPOSE-UHFFFAOYSA-N 0 0 340.242 4.191 10 0 EIAERN COc1cc(F)c(C(=O)c2sccc2Br)c(F)c1 ZINC000104295265 204105123 /nfs/dbraw/zinc/10/51/23/204105123.db2.gz FZOKYACYLJVRNT-UHFFFAOYSA-N 0 0 333.153 4.028 10 0 EIAERN Cc1ccc([C@H](C)O)c(OCc2cc(Br)cs2)c1 ZINC000104332248 204105477 /nfs/dbraw/zinc/10/54/77/204105477.db2.gz PPCYOTRNIWQFQO-JTQLQIEISA-N 0 0 327.243 4.451 10 0 EIAERN CC(C)N(c1ccc(N)cc1C(=O)N1C[C@H](C)C[C@@H](C)C1)C(C)C ZINC000226323561 205129660 /nfs/dbraw/zinc/12/96/60/205129660.db2.gz CNRIYIYOCYWCKV-HZPDHXFCSA-N 0 0 331.504 4.010 10 0 EIAERN C[C@H]1CCCN(c2c(Br)cc(N)cc2Br)C1 ZINC000226316546 205125399 /nfs/dbraw/zinc/12/53/99/205125399.db2.gz GPXXELZRHFTZPQ-QMMMGPOBSA-N 0 0 348.082 4.030 10 0 EIAERN CCc1ccc(C(=O)Nc2cc3sc(N)nc3c(Cl)c2)cc1 ZINC000226309427 205126181 /nfs/dbraw/zinc/12/61/81/205126181.db2.gz XOQIMYJMCXVOHP-UHFFFAOYSA-N 0 0 331.828 4.347 10 0 EIAERN Nc1cc(Br)c(NC2CCCC2)c(Br)c1 ZINC000226317067 205126312 /nfs/dbraw/zinc/12/63/12/205126312.db2.gz UPCRVTSZKPSQDU-UHFFFAOYSA-N 0 0 334.055 4.148 10 0 EIAERN CCc1ccc(C(=O)Nc2cc3sc(=NN)[nH]c3c(Cl)c2)cc1 ZINC000226309479 205126523 /nfs/dbraw/zinc/12/65/23/205126523.db2.gz LFXCISODASAZMO-UHFFFAOYSA-N 0 0 346.843 4.050 10 0 EIAERN Cc1cc(N)cc(Br)c1NC(=O)c1cc2ccccc2o1 ZINC000226756021 205152441 /nfs/dbraw/zinc/15/24/41/205152441.db2.gz CHDVIKMCQRTRKA-UHFFFAOYSA-N 0 0 345.196 4.338 10 0 EIAERN COc1c(Cl)cc(C(=O)Nc2ccc(C)cc2N)cc1Cl ZINC000226349854 205131088 /nfs/dbraw/zinc/13/10/88/205131088.db2.gz FCBBOVMTFBIPDI-UHFFFAOYSA-N 0 0 325.195 4.145 10 0 EIAERN NC(=O)[C@H](Nc1ccccc1Cl)c1c(Cl)cccc1Cl ZINC000006567955 206516953 /nfs/dbraw/zinc/51/69/53/206516953.db2.gz CFHOQWJSPLGOOG-CYBMUJFWSA-N 0 0 329.614 4.285 10 0 EIAERN c1ccc(COc2ccc(CNCc3nc4ccccc4[nH]3)cc2)cc1 ZINC000113398213 207262815 /nfs/dbraw/zinc/26/28/15/207262815.db2.gz BHNBDFLIWAOVPQ-UHFFFAOYSA-N 0 0 343.430 4.432 10 0 EIAERN CO[C@@H]1CCN(C(=O)c2cc3ccccc3o2)C[C@H]1Cc1ccccc1 ZINC000247850459 257677029 /nfs/dbraw/zinc/67/70/29/257677029.db2.gz RGHDABTVRVPXGP-RTBURBONSA-N 0 0 349.430 4.153 10 0 EIAERN Oc1ccc(Oc2ncc(Br)cc2Br)cc1 ZINC000164037370 534453589 /nfs/dbraw/zinc/45/35/89/534453589.db2.gz GPJZHSFSOZSTTH-UHFFFAOYSA-N 0 0 344.990 4.105 10 0 EIAERN CCn1cc(CN(C)C(=O)[C@@H](c2ccccc2)C2CCCC2)c(C)n1 ZINC000252504551 536046454 /nfs/dbraw/zinc/04/64/54/536046454.db2.gz VKFAHYJQFMRLKH-FQEVSTJZSA-N 0 0 339.483 4.144 10 0 EIAERN Cc1cc(C(=O)Nc2ccccc2Cl)n(Cc2ccc(C)cc2)n1 ZINC000000127934 563237271 /nfs/dbraw/zinc/23/72/71/563237271.db2.gz UJBJYCUKXLBLFF-UHFFFAOYSA-N 0 0 339.826 4.454 10 0 EIAERN O=S(=O)(Cc1ccccc1)N1CCCCC[C@H]1c1cccs1 ZINC000015866776 563797367 /nfs/dbraw/zinc/79/73/67/563797367.db2.gz DZKBZGQPDBZWRN-INIZCTEOSA-N 0 0 335.494 4.195 10 0 EIAERN CC(C)(C)SCC(=O)c1ccc(I)cc1 ZINC000034981027 563929493 /nfs/dbraw/zinc/92/94/93/563929493.db2.gz SEZCRJDLYDPPJY-UHFFFAOYSA-N 0 0 334.222 4.006 10 0 EIAERN CC(=O)N(Cc1cccc(O)c1)c1cnccc1Oc1ccccc1 ZINC000095828698 563977667 /nfs/dbraw/zinc/97/76/67/563977667.db2.gz IANOLBRAJUVYKN-UHFFFAOYSA-N 0 0 334.375 4.133 10 0 EIAERN CCCOc1c(Cl)cc(/C=C/C(=O)OC(C)(C)C)cc1OC ZINC000725273960 563988813 /nfs/dbraw/zinc/98/88/13/563988813.db2.gz ZAUFKCSWSANXSA-BQYQJAHWSA-N 0 0 326.820 4.492 10 0 EIAERN CC[C@@H](C)OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000005909301 564033045 /nfs/dbraw/zinc/03/30/45/564033045.db2.gz VUHHPCNWKDEWOX-UHOFOFEASA-N 0 0 335.831 4.203 10 0 EIAERN C[C@@H]1CCc2nc(-c3ccc(OCc4ccccc4)cc3)cc(=O)n2C1 ZINC000536951904 564091757 /nfs/dbraw/zinc/09/17/57/564091757.db2.gz ZTLXBKPQWKICCQ-MRXNPFEDSA-N 0 0 346.430 4.072 10 0 EIAERN CC(=O)c1nnc(-c2ccccc2C(F)(F)F)cc1C(F)(F)F ZINC000536960174 564091803 /nfs/dbraw/zinc/09/18/03/564091803.db2.gz PJKPZEVHRWBYOB-UHFFFAOYSA-N 0 0 334.219 4.384 10 0 EIAERN COC(=O)[C@@H](C)c1cc(Cl)nc2c(C)c(Br)ccc21 ZINC000675068205 564112511 /nfs/dbraw/zinc/11/25/11/564112511.db2.gz NNUJIYZVVVCMPS-ZETCQYMHSA-N 0 0 342.620 4.236 10 0 EIAERN Cc1ccc(-c2c(I)n[nH]c2C2CCC2)cc1 ZINC000675075573 564113206 /nfs/dbraw/zinc/11/32/06/564113206.db2.gz BECWOROQCWANMY-UHFFFAOYSA-N 0 0 338.192 4.257 10 0 EIAERN Cc1c(N)cc(-c2ccc(Br)nc2)cc1C(F)(F)F ZINC000675080962 564113983 /nfs/dbraw/zinc/11/39/83/564113983.db2.gz YLNLHYLPKBCVRN-UHFFFAOYSA-N 0 0 331.135 4.421 10 0 EIAERN CCOc1ccc(N2C(=O)c3cccc4cc(OC)cc(c43)C2=O)cc1 ZINC000048524142 564129274 /nfs/dbraw/zinc/12/92/74/564129274.db2.gz GKTXQGJOHDQEDH-UHFFFAOYSA-N 0 0 347.370 4.048 10 0 EIAERN Cc1cccc(CNC(=O)c2cc(-c3cccc4ccccc43)n[nH]2)c1 ZINC000057413849 564154223 /nfs/dbraw/zinc/15/42/23/564154223.db2.gz BLTNXEHJIDNQFH-UHFFFAOYSA-N 0 0 341.414 4.468 10 0 EIAERN CC(C)COC(=O)NC[C@@H](C)OC(=O)Nc1cccc2ccccc21 ZINC000003176150 564155673 /nfs/dbraw/zinc/15/56/73/564155673.db2.gz KMAFWOJSMPLREH-CQSZACIVSA-N 0 0 344.411 4.159 10 0 EIAERN O=C(Nc1nc(-c2ccccn2)cs1)[C@@H]1C[C@H]1c1ccccc1F ZINC000009338506 564172738 /nfs/dbraw/zinc/17/27/38/564172738.db2.gz POMXKKUDLGDXBN-QWHCGFSZSA-N 0 0 339.395 4.086 10 0 EIAERN CC[C@H](NC(=O)OC(C)(C)C)C(=O)C[C@@H](C)COCc1ccccc1 ZINC000685961219 564177171 /nfs/dbraw/zinc/17/71/71/564177171.db2.gz DGVGHGFPQISEKN-WBVHZDCISA-N 0 0 349.471 4.102 10 0 EIAERN Cc1cccc([C@H](C)CNC(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000121078923 1032514747 /nfs/dbraw/zinc/51/47/47/1032514747.db2.gz HHOSAOMOSCZGET-NVXWUHKLSA-N 0 0 343.496 4.144 10 0 EIAERN COc1ccc(Br)c(CN[C@@H]2CCOc3ccccc32)c1 ZINC000087788133 1022149265 /nfs/dbraw/zinc/14/92/65/1022149265.db2.gz VICPRIZOCTVFSZ-MRXNPFEDSA-N 0 0 348.240 4.071 10 0 EIAERN Cc1ccc(-c2noc([C@@H](C)N[C@H](C)c3nccs3)n2)cc1F ZINC000106239980 1022856651 /nfs/dbraw/zinc/85/66/51/1022856651.db2.gz QWXRIWLAOAPHQS-GHMZBOCLSA-N 0 0 332.404 4.052 10 0 EIAERN Cc1ccc(-c2noc([C@H](C)N[C@H](C)c3nccs3)n2)cc1F ZINC000106239983 1022857109 /nfs/dbraw/zinc/85/71/09/1022857109.db2.gz QWXRIWLAOAPHQS-WDEREUQCSA-N 0 0 332.404 4.052 10 0 EIAERN CC(=O)Nc1ccc(NC(=O)N2CC[C@H](C)C[C@H](C)C2)c(Cl)c1 ZINC000121428752 1025219225 /nfs/dbraw/zinc/21/92/25/1025219225.db2.gz NHJYKGQSYBAQDE-RYUDHWBXSA-N 0 0 337.851 4.198 10 0 EIAERN Cc1cnccc1NC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000121733846 1026328480 /nfs/dbraw/zinc/32/84/80/1026328480.db2.gz KXLGBIVIVLFYKB-QGZVFWFLSA-N 0 0 337.423 4.348 10 0 EIAERN O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128223872 1026368504 /nfs/dbraw/zinc/36/85/04/1026368504.db2.gz QGSPLGISLJGJMW-BZNIZROVSA-N 0 0 343.254 4.152 10 0 EIAERN Cc1ccnc(-c2ccc(NC(=O)N3CC[C@H](C)C[C@H](C)C3)cc2)n1 ZINC000124131707 1026785519 /nfs/dbraw/zinc/78/55/19/1026785519.db2.gz DPDATFRWMQUOOI-GJZGRUSLSA-N 0 0 338.455 4.352 10 0 EIAERN CCOc1cc(F)ccc1NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000114810115 1029620458 /nfs/dbraw/zinc/62/04/58/1029620458.db2.gz UKGAXPHRJZBMHG-LBPRGKRZSA-N 0 0 349.431 4.092 10 0 EIAERN Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000114824570 1029645200 /nfs/dbraw/zinc/64/52/00/1029645200.db2.gz BYPSBQWDWNTDJX-GDBMZVCRSA-N 0 0 329.469 4.102 10 0 EIAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cccc4ncccc43)C2)cc1 ZINC000122292380 1030756231 /nfs/dbraw/zinc/75/62/31/1030756231.db2.gz SXXNUNFGDZLXFK-DOTOQJQBSA-N 0 0 346.430 4.262 10 0 EIAERN Cc1ccc(C)c(CN[C@H](c2ncon2)c2ccc(Cl)cc2)c1 ZINC000122598700 1030865510 /nfs/dbraw/zinc/86/55/10/1030865510.db2.gz GRUPZBOWHUCKRX-KRWDZBQOSA-N 0 0 327.815 4.219 10 0 EIAERN COc1ccccc1CCC(=O)N1CC=C(c2cccs2)CC1 ZINC000117723088 1031211438 /nfs/dbraw/zinc/21/14/38/1031211438.db2.gz GMBDCXJQTVGRRV-UHFFFAOYSA-N 0 0 327.449 4.005 10 0 EIAERN Cc1cccc(OC(F)F)c1NC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000117640627 1031393882 /nfs/dbraw/zinc/39/38/82/1031393882.db2.gz YIPUOUJKHKARDS-BZNIZROVSA-N 0 0 333.334 4.100 10 0 EIAERN Cc1csc(C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)n1 ZINC000119024017 1031404660 /nfs/dbraw/zinc/40/46/60/1031404660.db2.gz UOIPFUFXSVHYSL-UHFFFAOYSA-N 0 0 338.835 4.264 10 0 EIAERN Cc1csc(C2CCN(C(=O)[C@@H]3CSc4ccccc43)CC2)n1 ZINC000118327451 1031455113 /nfs/dbraw/zinc/45/51/13/1031455113.db2.gz HGRMCSCFQACRSN-OAHLLOKOSA-N 0 0 344.505 4.047 10 0 EIAERN CC[C@H](C(=O)N1CCC(c2nc(C)cs2)CC1)c1ccc(F)cc1 ZINC000124395020 1031526073 /nfs/dbraw/zinc/52/60/73/1031526073.db2.gz APIJWEPJNCZKAD-KRWDZBQOSA-N 0 0 346.471 4.490 10 0 EIAERN CC(C)(C)[C@@H](NC(=O)N1CCO[C@@H](c2ccco2)C1)c1cccs1 ZINC000128847148 1031761416 /nfs/dbraw/zinc/76/14/16/1031761416.db2.gz SEAQGWYBGZBYOY-ZBFHGGJFSA-N 0 0 348.468 4.211 10 0 EIAERN Cc1ccc([C@H]2CN(C(=O)c3cccc(-c4ccoc4)c3)CCO2)o1 ZINC000089868175 1039121490 /nfs/dbraw/zinc/12/14/90/1039121490.db2.gz JEYBBSGJJKORQY-LJQANCHMSA-N 0 0 337.375 4.062 10 0 EIAERN Fc1ccc(/C=C/CN[C@@H](c2ncon2)c2ccc(Cl)cc2)cc1 ZINC000090202007 1039198839 /nfs/dbraw/zinc/19/88/39/1039198839.db2.gz AFZHFIPFNJTSHZ-WZHGYECESA-N 0 0 343.789 4.255 10 0 EIAERN Clc1ccc([C@H](NC/C=C/c2ccccc2)c2ncon2)cc1 ZINC000090202609 1039201540 /nfs/dbraw/zinc/20/15/40/1039201540.db2.gz FXBVYNRQRCSTJT-PFWMLDTASA-N 0 0 325.799 4.115 10 0 EIAERN O=C(C[C@H](O)c1ccccc1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000091443629 1039368746 /nfs/dbraw/zinc/36/87/46/1039368746.db2.gz QTULSQJEMPYZEH-RTWAWAEBSA-N 0 0 348.446 4.345 10 0 EIAERN O=C(C[C@@H](O)c1ccccc1)N1Cc2ccccc2-c2ccccc2C1 ZINC000091437181 1039370251 /nfs/dbraw/zinc/37/02/51/1039370251.db2.gz RUWSHMYOKDOUFD-JOCHJYFZSA-N 0 0 343.426 4.320 10 0 EIAERN c1csc(Cn2cccc2CN2CCO[C@H](c3ccsc3)C2)c1 ZINC000093768158 1039747988 /nfs/dbraw/zinc/74/79/88/1039747988.db2.gz HAIBOKMNEUSKLN-SFHVURJKSA-N 0 0 344.505 4.233 10 0 EIAERN O=C(c1cccs1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218015 1043292300 /nfs/dbraw/zinc/29/23/00/1043292300.db2.gz GVMUBJHQRFQXNH-OAHLLOKOSA-N 0 0 337.448 4.158 10 0 EIAERN CC[C@@H](CC(=O)N1CCC[C@@H](c2nccs2)C1)c1ccccc1 ZINC000067046330 1045737171 /nfs/dbraw/zinc/73/71/71/1045737171.db2.gz SEQYMGWDDHVLEY-DOTOQJQBSA-N 0 0 328.481 4.433 10 0 EIAERN CC[C@H](NC(=O)N1CC[C@H](Nc2ccccc2)C1)c1cccs1 ZINC000067631396 1045744787 /nfs/dbraw/zinc/74/47/87/1045744787.db2.gz MNHHPSOIGZCUQX-HOTGVXAUSA-N 0 0 329.469 4.095 10 0 EIAERN CCOc1ccc([C@H]2CCCN2C(=O)[C@@]2(C)CC2(Cl)Cl)cc1 ZINC000071054054 1045775522 /nfs/dbraw/zinc/77/55/22/1045775522.db2.gz SVTBLXZFFFEPAO-GDBMZVCRSA-N 0 0 342.266 4.333 10 0 EIAERN O=C(Nc1cccc(-c2ncon2)c1)c1c(Cl)cccc1Cl ZINC000081630854 1047087939 /nfs/dbraw/zinc/08/79/39/1047087939.db2.gz LPGJQUIMBYKRDO-UHFFFAOYSA-N 0 0 334.162 4.296 10 0 EIAERN O=C(c1cccc2[nH]ccc21)N1CCC(Nc2ccccc2F)CC1 ZINC000081839148 1047201930 /nfs/dbraw/zinc/20/19/30/1047201930.db2.gz WFLFIDJISLNAIZ-UHFFFAOYSA-N 0 0 337.398 4.024 10 0 EIAERN CCOC(=O)C(F)(F)[C@@H](Nc1ccc(OC)cc1)c1ccccc1 ZINC000006870051 201702893 /nfs/dbraw/zinc/70/28/93/201702893.db2.gz DTENEOGWAVSGMI-INIZCTEOSA-N 0 0 335.350 4.047 10 0 EIAERN Cc1ccc([C@@H](O)Cc2cc(Br)ccc2F)cc1F ZINC000053784448 214197466 /nfs/dbraw/zinc/19/74/66/214197466.db2.gz LGAUXYUSWZXLNB-HNNXBMFYSA-N 0 0 327.168 4.312 10 0 EIAERN Cc1ccc([C@H](O)Cc2cc(Br)ccc2F)cc1F ZINC000053784447 214197785 /nfs/dbraw/zinc/19/77/85/214197785.db2.gz LGAUXYUSWZXLNB-OAHLLOKOSA-N 0 0 327.168 4.312 10 0 EIAERN c1ccc2c(c1)CCC[C@@H]2Nc1ncnc2c1nc1n2CCCCC1 ZINC000006932753 201706563 /nfs/dbraw/zinc/70/65/63/201706563.db2.gz XXFGXULTBZHBFG-INIZCTEOSA-N 0 0 333.439 4.042 10 0 EIAERN COc1ccccc1-c1cc(-c2ccc(C)cc2)nc2ncnc(N)c21 ZINC000009694604 201784669 /nfs/dbraw/zinc/78/46/69/201784669.db2.gz PPJBFWAUVRZECM-UHFFFAOYSA-N 0 0 342.402 4.258 10 0 EIAERN O=C(c1ccccc1)n1c(COc2ccccc2)nc2ccccc21 ZINC000010151122 201794893 /nfs/dbraw/zinc/79/48/93/201794893.db2.gz KKLWDPPFPCIYCG-UHFFFAOYSA-N 0 0 328.371 4.304 10 0 EIAERN CCOC(=O)c1sc(-c2ccc(Br)cc2C)cc1N ZINC000036830564 201796179 /nfs/dbraw/zinc/79/61/79/201796179.db2.gz CMFYUVXVOLIXKO-UHFFFAOYSA-N 0 0 340.242 4.245 10 0 EIAERN Nc1sc2c(c1C(=O)c1cccc(Br)c1)CCCC2 ZINC000013558663 201900060 /nfs/dbraw/zinc/90/00/60/201900060.db2.gz BPUMIEMEDDXPOI-UHFFFAOYSA-N 0 0 336.254 4.203 10 0 EIAERN N=C1S/C(=C\c2ccc(O)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000015053311 201949087 /nfs/dbraw/zinc/94/90/87/201949087.db2.gz RREBBXZYUSJAER-PHUAOCSASA-N 0 0 330.796 4.101 10 0 EIAERN COc1cc(/C=C/C(=O)Nc2nc(C)c(C)s2)ccc1OC(C)C ZINC000001945486 209807632 /nfs/dbraw/zinc/80/76/32/209807632.db2.gz BJSOWHJZVGKJRS-VQHVLOKHSA-N 0 0 346.452 4.208 10 0 EIAERN CCCCn1c(CNC(=O)c2ccccc2Cl)nc2ccccc21 ZINC000040277188 213287019 /nfs/dbraw/zinc/28/70/19/213287019.db2.gz QGSVIIQOXGIWLM-UHFFFAOYSA-N 0 0 341.842 4.420 10 0 EIAERN CC[C@H](C)[C@H](c1nc(CC(C)C)no1)N1Cc2ccccc2C1=O ZINC000019113722 201998774 /nfs/dbraw/zinc/99/87/74/201998774.db2.gz ZIZLUPLFYZUORW-SUMWQHHRSA-N 0 0 327.428 4.011 10 0 EIAERN FC(F)(F)c1cc(Br)ccc1NCc1ccncc1 ZINC000037518655 202001067 /nfs/dbraw/zinc/00/10/67/202001067.db2.gz SXBALXGCTRZPPU-UHFFFAOYSA-N 0 0 331.135 4.475 10 0 EIAERN Nc1cc(Cl)ccc1OCc1ccc(F)c(Br)c1 ZINC000019805172 202022687 /nfs/dbraw/zinc/02/26/87/202022687.db2.gz WGHORHMSKONWNS-UHFFFAOYSA-N 0 0 330.584 4.403 10 0 EIAERN COc1cccc(CON2C(=O)CS[C@H]2c2ccc(C)c(C)c2)c1 ZINC000038149954 213204186 /nfs/dbraw/zinc/20/41/86/213204186.db2.gz TWHRIRGWGPNMHN-IBGZPJMESA-N 0 0 343.448 4.018 10 0 EIAERN COc1cc(Br)cc(C)c1N[C@@H]1CCCC[C@@H]1OC ZINC000037776785 202036410 /nfs/dbraw/zinc/03/64/10/202036410.db2.gz SJXUTVXRZQVQRR-OLZOCXBDSA-N 0 0 328.250 4.136 10 0 EIAERN COc1cccc(CNCc2ccco2)c1OCc1ccc(C)cc1 ZINC000020874013 202057396 /nfs/dbraw/zinc/05/73/96/202057396.db2.gz QDFJVZOEVBQRTN-UHFFFAOYSA-N 0 0 337.419 4.465 10 0 EIAERN O=C(NCc1ccco1)C1=Cc2sc3c(c2CS1)CCCC3 ZINC000020931276 202058277 /nfs/dbraw/zinc/05/82/77/202058277.db2.gz LTCQAOLHJZPCHM-UHFFFAOYSA-N 0 0 331.462 4.124 10 0 EIAERN CCCOc1c(Cl)cc(Cl)cc1CNCc1ccncc1 ZINC000020930367 202058782 /nfs/dbraw/zinc/05/87/82/202058782.db2.gz VLPMMLZILJIERW-UHFFFAOYSA-N 0 0 325.239 4.467 10 0 EIAERN Cc1noc(C)c1COc1ccc(C(=O)N(C)C2CCCCC2)cc1 ZINC000021004458 202060760 /nfs/dbraw/zinc/06/07/60/202060760.db2.gz LVVRTCPYPZWOJO-UHFFFAOYSA-N 0 0 342.439 4.275 10 0 EIAERN Cc1ccc(Nc2c3[nH]cccc-3c(=O)n2Cc2ccco2)cc1C ZINC000021105124 202062113 /nfs/dbraw/zinc/06/21/13/202062113.db2.gz SZZNCGIGCVPFMV-LJQANCHMSA-N 0 0 333.391 4.058 10 0 EIAERN Cc1cc(C)c(Nc2c3[nH]cccc-3c(=O)n2Cc2ccco2)c(C)c1 ZINC000021105139 202062293 /nfs/dbraw/zinc/06/22/93/202062293.db2.gz MAMMJQNSLFQYRB-FQEVSTJZSA-N 0 0 347.418 4.367 10 0 EIAERN Cc1cc(Cl)cc2c3c([nH]c21)CC[C@@H](NC(=O)C[C@H]1C=CCC1)C3 ZINC000022336945 202083279 /nfs/dbraw/zinc/08/32/79/202083279.db2.gz SXJARINCQACJNL-DZGCQCFKSA-N 0 0 342.870 4.460 10 0 EIAERN CC(C)(C)c1ccc2c(c1)C[C@H](CNC(=O)CCC1CCCC1)O2 ZINC000022315195 202083517 /nfs/dbraw/zinc/08/35/17/202083517.db2.gz BALPEIOCHPJPDK-GOSISDBHSA-N 0 0 329.484 4.374 10 0 EIAERN CCOC(=O)[C@](C)(NC1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000037970649 202070676 /nfs/dbraw/zinc/07/06/76/202070676.db2.gz HNYJTGVCNVAYFU-MRXNPFEDSA-N 0 0 330.255 4.304 10 0 EIAERN O=C([O-])[C@@H]([NH2+]C1CCCCCC1)c1ccc(F)c(Br)c1 ZINC000037972442 202071093 /nfs/dbraw/zinc/07/10/93/202071093.db2.gz CSTLTAPRWZCDBO-AWEZNQCLSA-N 0 0 344.224 4.026 10 0 EIAERN Nc1ccc(-c2nccn2Cc2cc(Br)ccc2F)cc1 ZINC000037974211 202071571 /nfs/dbraw/zinc/07/15/71/202071571.db2.gz YMDXDRXWIYFGHB-UHFFFAOYSA-N 0 0 346.203 4.082 10 0 EIAERN COc1ccccc1-c1onc(C)c1C(=O)N[C@@H](C)c1ccccc1 ZINC000022659735 202090199 /nfs/dbraw/zinc/09/01/99/202090199.db2.gz FGTUEDNCICCPKN-ZDUSSCGKSA-N 0 0 336.391 4.150 10 0 EIAERN C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000025144344 202127014 /nfs/dbraw/zinc/12/70/14/202127014.db2.gz HGIVBARZLRINNV-LOWVWBTDSA-N 0 0 349.780 4.345 10 0 EIAERN COc1ccc(N2C(=O)S/C(=C/C=C/c3ccco3)C2=O)cc1 ZINC000027230250 202152830 /nfs/dbraw/zinc/15/28/30/202152830.db2.gz PRNUEXCPOXIIRR-XEXQVEHGSA-N 0 0 327.361 4.085 10 0 EIAERN CCOc1ccc2[nH]c(=S)n3c2c1CN(CC=C(C)C)[C@@H](C)C3 ZINC000027873335 202161324 /nfs/dbraw/zinc/16/13/24/202161324.db2.gz QRNCLKJXAMIOKI-ZDUSSCGKSA-N 0 0 331.485 4.268 10 0 EIAERN CC(=O)N1Cc2cc(Br)ccc2CCc2ccccc21 ZINC000028572287 202172560 /nfs/dbraw/zinc/17/25/60/202172560.db2.gz IWZPMVGKGUWIMO-UHFFFAOYSA-N 0 0 330.225 4.101 10 0 EIAERN COc1ccc([C@H]2CC[C@H](c3ccc(OC)c(OC)c3)O2)cc1OC ZINC000029563008 202188987 /nfs/dbraw/zinc/18/89/87/202188987.db2.gz QJCGZUKQWHTSOT-HZPDHXFCSA-N 0 0 344.407 4.314 10 0 EIAERN Cc1cc(NC(=O)c2ccc(Br)o2)c2cc(F)ccc2n1 ZINC000032607424 202229307 /nfs/dbraw/zinc/22/93/07/202229307.db2.gz LZTNIQQUKSBAOZ-UHFFFAOYSA-N 0 0 349.159 4.290 10 0 EIAERN CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)c2ccccc2C1 ZINC000032917778 202241473 /nfs/dbraw/zinc/24/14/73/202241473.db2.gz MDFSFUHHXDDOQG-UHFFFAOYSA-N 0 0 338.451 4.444 10 0 EIAERN COC(=O)c1ccccc1NC(=O)c1c(C)sc2c(C)c(C)[nH]c21 ZINC000033280474 202255585 /nfs/dbraw/zinc/25/55/85/202255585.db2.gz KHOUBJJINFXPFC-UHFFFAOYSA-N 0 0 342.420 4.194 10 0 EIAERN Fc1ccccc1-c1nnc2sc(/C=C\c3cccs3)nn21 ZINC000033477682 202262561 /nfs/dbraw/zinc/26/25/61/202262561.db2.gz DITJWMMARQWHLR-FPLPWBNLSA-N 0 0 328.397 4.224 10 0 EIAERN COc1ccc(C(=O)c2ccc(Br)s2)cc1Cl ZINC000035369317 202300207 /nfs/dbraw/zinc/30/02/07/202300207.db2.gz JHUMGQOJWFEQCA-UHFFFAOYSA-N 0 0 331.618 4.404 10 0 EIAERN O=Cc1cc(F)ccc1Oc1ccccc1I ZINC000035454584 202303052 /nfs/dbraw/zinc/30/30/52/202303052.db2.gz PJAVTQJYWMPSNE-UHFFFAOYSA-N 0 0 342.107 4.035 10 0 EIAERN C[C@@H](CCc1ccco1)Nc1ccccc1I ZINC000035451948 202303573 /nfs/dbraw/zinc/30/35/73/202303573.db2.gz DTQDSZLQHFAWTL-NSHDSACASA-N 0 0 341.192 4.317 10 0 EIAERN C[C@H](CCc1ccco1)Nc1ccccc1I ZINC000035451950 202303629 /nfs/dbraw/zinc/30/36/29/202303629.db2.gz DTQDSZLQHFAWTL-LLVKDONJSA-N 0 0 341.192 4.317 10 0 EIAERN C[C@@H](O)c1ccccc1Oc1cccc(I)c1 ZINC000035650742 202308689 /nfs/dbraw/zinc/30/86/89/202308689.db2.gz QAOWLYUDNZOZJP-SNVBAGLBSA-N 0 0 340.160 4.137 10 0 EIAERN Cc1c(C(=O)OC2CCCCC2)nnn1-c1cccc(Cl)c1C ZINC000036639098 202328076 /nfs/dbraw/zinc/32/80/76/202328076.db2.gz ZFMFYUUIKNZUDX-UHFFFAOYSA-N 0 0 333.819 4.027 10 0 EIAERN CCCN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000073652572 202369854 /nfs/dbraw/zinc/36/98/54/202369854.db2.gz PQRVQLRMQDVHHC-CQSZACIVSA-N 0 0 342.480 4.033 10 0 EIAERN Cc1cccc(Nc2ncnc(Nc3cc(F)ccc3F)c2N)c1C ZINC000040755240 202462821 /nfs/dbraw/zinc/46/28/21/202462821.db2.gz RMUMJQKCPPLXMG-UHFFFAOYSA-N 0 0 341.365 4.441 10 0 EIAERN COc1ccccc1Nc1ncnc(Nc2ccc(C)cc2C)c1N ZINC000040755388 202463463 /nfs/dbraw/zinc/46/34/63/202463463.db2.gz SJMDGVBKXVZMQO-UHFFFAOYSA-N 0 0 335.411 4.171 10 0 EIAERN Nc1c(Nc2ccccn2)ncnc1Nc1ccc(Cl)cc1Cl ZINC000040778986 202463720 /nfs/dbraw/zinc/46/37/20/202463720.db2.gz AIUOWQKBQMXBDN-UHFFFAOYSA-N 0 0 347.209 4.248 10 0 EIAERN CCOc1cc(-c2nc3ccccc3[nH]2)cc(Br)c1OC ZINC000041005087 202469768 /nfs/dbraw/zinc/46/97/68/202469768.db2.gz BPLVSHMVPPTZHN-UHFFFAOYSA-N 0 0 347.212 4.400 10 0 EIAERN Nc1c(Nc2cccnc2)ncnc1Oc1cccc2ccccc21 ZINC000040683160 202458300 /nfs/dbraw/zinc/45/83/00/202458300.db2.gz XWIDAHWSLTVTLM-UHFFFAOYSA-N 0 0 329.363 4.143 10 0 EIAERN CCCOc1ccc(C(=O)Nc2cc(N)ccc2N(CC)CC)cc1 ZINC000226261643 201036900 /nfs/dbraw/zinc/03/69/00/201036900.db2.gz NZJMHTDZORBCAL-UHFFFAOYSA-N 0 0 341.455 4.156 10 0 EIAERN Cc1cc(N2Cc3ccccc3C2=O)ccc1NC(=O)c1ccccc1 ZINC000226287887 201037471 /nfs/dbraw/zinc/03/74/71/201037471.db2.gz UYQKOJPFGPHMGL-UHFFFAOYSA-N 0 0 342.398 4.408 10 0 EIAERN Cc1cc(Cl)ccc1NC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000000092715 201054960 /nfs/dbraw/zinc/05/49/60/201054960.db2.gz PJOWEHAVGSYAPR-OAHLLOKOSA-N 0 0 346.839 4.090 10 0 EIAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccc2ccccc2c1 ZINC000008288221 201056624 /nfs/dbraw/zinc/05/66/24/201056624.db2.gz IDDVKZUQUSWANI-SFHVURJKSA-N 0 0 348.427 4.281 10 0 EIAERN CC(C)c1ccccc1NC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000040839058 201089777 /nfs/dbraw/zinc/08/97/77/201089777.db2.gz XEBGSKNILIKFIJ-QGZVFWFLSA-N 0 0 340.448 4.252 10 0 EIAERN Clc1nc(NC2CCCC2)nc2c1CN(Cc1ccccc1)CC2 ZINC000057345916 201139104 /nfs/dbraw/zinc/13/91/04/201139104.db2.gz ZJFGYZLFTBTNBJ-UHFFFAOYSA-N 0 0 342.874 4.043 10 0 EIAERN O=c1cc(-c2ccccc2)nc(Nc2ccc(OC(F)(F)F)cc2)[nH]1 ZINC000057342176 201139364 /nfs/dbraw/zinc/13/93/64/201139364.db2.gz FOEOPOBDISXOSA-UHFFFAOYSA-N 0 0 347.296 4.079 10 0 EIAERN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cc2cc(F)ccc2[nH]1 ZINC000078886077 201197875 /nfs/dbraw/zinc/19/78/75/201197875.db2.gz NNKRFCSNDDIVAL-PWSUYJOCSA-N 0 0 328.309 4.158 10 0 EIAERN O=C([O-])C1=CCC[N@H+](CCC=C(c2ccccc2)c2ccccc2)C1 ZINC000006095717 201362191 /nfs/dbraw/zinc/36/21/91/201362191.db2.gz NNHFTYXKYCVPFN-UHFFFAOYSA-N 0 0 333.431 4.225 10 0 EIAERN COc1ccc([C@@H]2CC(=O)c3ccc(Br)cc3N2)cc1 ZINC000090547401 201372093 /nfs/dbraw/zinc/37/20/93/201372093.db2.gz RDOPFTYMEFUCGU-AWEZNQCLSA-N 0 0 332.197 4.197 10 0 EIAERN CCOC(=O)c1cc2c(Cl)c(Cl)c(Cl)c(Cl)n2n1 ZINC000001557613 201358873 /nfs/dbraw/zinc/35/88/73/201358873.db2.gz OCIYKHBMOLUJNL-UHFFFAOYSA-N 0 0 327.982 4.125 10 0 EIAERN c1nc2c(SCc3ccccc3)ncn(Cc3ccccc3)c-2n1 ZINC000001708247 201358882 /nfs/dbraw/zinc/35/88/82/201358882.db2.gz RQABGHBGPAWWNI-UHFFFAOYSA-N 0 0 332.432 4.119 10 0 EIAERN Clc1nc2c(ncn2Cc2ccccc2)c(Nc2ccccc2)n1 ZINC000028767249 201388020 /nfs/dbraw/zinc/38/80/20/201388020.db2.gz ANEUEMUTNSWTJU-UHFFFAOYSA-N 0 0 335.798 4.272 10 0 EIAERN Fc1cccc(F)c1CN1CC[C@@H](Nc2cccc3cnccc32)C1 ZINC000028641712 201388205 /nfs/dbraw/zinc/38/82/05/201388205.db2.gz MHCQGPSBRNOVHU-OAHLLOKOSA-N 0 0 339.389 4.199 10 0 EIAERN C[C@H](c1c[nH]c2ccccc21)[C@@H]1CN(Cc2ccccc2)CCC1=O ZINC000031598877 201388357 /nfs/dbraw/zinc/38/83/57/201388357.db2.gz KHACYSVTSFLQMP-UZLBHIALSA-N 0 0 332.447 4.363 10 0 EIAERN COc1ccc(Br)cc1[C@@H](O)c1ccc(Cl)s1 ZINC000051172807 202637301 /nfs/dbraw/zinc/63/73/01/202637301.db2.gz JJWGFSGMFLMXNO-GFCCVEGCSA-N 0 0 333.634 4.254 10 0 EIAERN COC(=O)c1cc2c(cnn2CC(C)C)cc1Oc1ccc(F)cc1 ZINC000211848947 241085640 /nfs/dbraw/zinc/08/56/40/241085640.db2.gz KBGWUAYRSZMZRS-UHFFFAOYSA-N 0 0 342.370 4.410 10 0 EIAERN Clc1ccc([C@@H](Cn2ccnc2)Sc2ncc[nH]2)c(Cl)c1 ZINC000211834609 241086458 /nfs/dbraw/zinc/08/64/58/241086458.db2.gz CZZBWLROTDSMQO-CYBMUJFWSA-N 0 0 339.251 4.447 10 0 EIAERN Cc1ccc2nc(-c3ccccc3)c(CSc3cccc[n+]3[O-])n2c1 ZINC000009115098 201462450 /nfs/dbraw/zinc/46/24/50/201462450.db2.gz OMJPGLJCBWKIBX-UHFFFAOYSA-N 0 0 347.443 4.235 10 0 EIAERN Nc1cc(NC(=O)c2ccc(F)cc2Br)ccc1Cl ZINC000021968547 212267216 /nfs/dbraw/zinc/26/72/16/212267216.db2.gz RMQVPJZMFYXHNR-UHFFFAOYSA-N 0 0 343.583 4.076 10 0 EIAERN CCOc1ccccc1Oc1cc(C=O)cc(OC)c1OC(C)C ZINC000004227221 201594499 /nfs/dbraw/zinc/59/44/99/201594499.db2.gz QZRIBCJZVCDFHK-UHFFFAOYSA-N 0 0 330.380 4.486 10 0 EIAERN COc1ccccc1[C@@H](c1ccc(C)cc1)n1nnc2ccccc21 ZINC000005416758 201650410 /nfs/dbraw/zinc/65/04/10/201650410.db2.gz NOAAVAHWRALGLY-OAQYLSRUSA-N 0 0 329.403 4.386 10 0 EIAERN C[C@H]1[C@H](c2ccc3c(c2)OCO3)O[C@@H](c2ccc3c(c2)OCO3)[C@H]1C ZINC000005519433 201653215 /nfs/dbraw/zinc/65/32/15/201653215.db2.gz QFUXQRHAJWXPGP-BINDOVRGSA-N 0 0 340.375 4.229 10 0 biogenic,in-vitro EIAERN COc1cc(Cl)c(C)cc1NC(=O)CCOc1ccc(C)cc1 ZINC000006307279 201678130 /nfs/dbraw/zinc/67/81/30/201678130.db2.gz PKGRGHGYYJZRLT-UHFFFAOYSA-N 0 0 333.815 4.373 10 0 EIAERN CCc1ccc(NC(=O)c2ccccc2OC)c(Br)c1 ZINC000065000267 202822757 /nfs/dbraw/zinc/82/27/57/202822757.db2.gz FLIRGYFLTZRZNH-UHFFFAOYSA-N 0 0 334.213 4.272 10 0 EIAERN Cc1ccc(-c2nccc([C@H]3CCCN(C(=O)c4ccoc4)C3)n2)cc1 ZINC000065135445 202824876 /nfs/dbraw/zinc/82/48/76/202824876.db2.gz BJBPZBNNLWVEPH-KRWDZBQOSA-N 0 0 347.418 4.065 10 0 EIAERN CC(C)(C)C(=O)N1CCC(C(=O)Nc2cccc3ccccc32)CC1 ZINC000069730530 203040752 /nfs/dbraw/zinc/04/07/52/203040752.db2.gz CMSCNBXSESQXDS-UHFFFAOYSA-N 0 0 338.451 4.063 10 0 EIAERN Cc1cc(-c2cc(Cl)ncn2)ccc1CNC(=O)OC(C)(C)C ZINC000253496119 244004298 /nfs/dbraw/zinc/00/42/98/244004298.db2.gz HFNKONYNTHHWTI-UHFFFAOYSA-N 0 0 333.819 4.130 10 0 EIAERN O=C(c1ccccc1CCc1ccccc1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000071933778 203154132 /nfs/dbraw/zinc/15/41/32/203154132.db2.gz UEPSEVKUAWKLEM-FGZHOGPDSA-N 0 0 349.474 4.255 10 0 EIAERN Cc1ccc(Nc2nc3nccc(-c4ccccc4)c3c(=O)[nH]2)cc1 ZINC000072440017 203224486 /nfs/dbraw/zinc/22/44/86/203224486.db2.gz TUOYLOFJMQOYKL-UHFFFAOYSA-N 0 0 328.375 4.037 10 0 EIAERN Cc1ccc(-c2ccnc3nc(Nc4ccc(F)cc4)[nH]c(=O)c32)cc1 ZINC000072440354 203225529 /nfs/dbraw/zinc/22/55/29/203225529.db2.gz QEZKMJFQWXONJS-UHFFFAOYSA-N 0 0 346.365 4.176 10 0 EIAERN COc1ccc(/C=C/c2ccnc(N3CCc4ccccc43)n2)cc1 ZINC000072443630 203226019 /nfs/dbraw/zinc/22/60/19/203226019.db2.gz OVVMFUUNCVSKFG-RMKNXTFCSA-N 0 0 329.403 4.350 10 0 EIAERN COc1cccc(-c2ccnc3nc(-c4ccc(Cl)cc4)nn32)c1 ZINC000072451475 203226612 /nfs/dbraw/zinc/22/66/12/203226612.db2.gz DCLWMLVKVZFFKO-UHFFFAOYSA-N 0 0 336.782 4.120 10 0 EIAERN Cc1ccc(-c2ccc(C(=O)Nc3ccccc3Cl)c(=O)[nH]2)cc1 ZINC000072451025 203226694 /nfs/dbraw/zinc/22/66/94/203226694.db2.gz ZJWQHBGGUKYNIY-UHFFFAOYSA-N 0 0 338.794 4.256 10 0 EIAERN COc1ccc(-c2nc3nccc(-c4ccc(Cl)cc4)n3n2)cc1 ZINC000072451502 203227105 /nfs/dbraw/zinc/22/71/05/203227105.db2.gz SCJQIHMHFUEITI-UHFFFAOYSA-N 0 0 336.782 4.120 10 0 EIAERN O=C(NC1CCCCC1)c1ccc(-c2ccc3ccccc3c2)[nH]c1=O ZINC000072450732 203227319 /nfs/dbraw/zinc/22/73/19/203227319.db2.gz FXXHRDCATRQGKJ-UHFFFAOYSA-N 0 0 346.430 4.258 10 0 EIAERN Cc1cccc(C)c1NC(=S)N1CCCn2c3ccccc3nc21 ZINC000072465399 203229245 /nfs/dbraw/zinc/22/92/45/203229245.db2.gz HVYPXTFEAQGRBU-UHFFFAOYSA-N 0 0 336.464 4.260 10 0 EIAERN Cc1cccc(N)c1C(=O)Nc1c(C)cc(Br)cc1C ZINC000020030750 212095247 /nfs/dbraw/zinc/09/52/47/212095247.db2.gz FPLFLZMENFRICY-UHFFFAOYSA-N 0 0 333.229 4.209 10 0 EIAERN C[C@H](NCc1ccccn1)c1cc2cc(Br)ccc2o1 ZINC000019957751 212089149 /nfs/dbraw/zinc/08/91/49/212089149.db2.gz VAIPRJQMALATCZ-NSHDSACASA-N 0 0 331.213 4.441 10 0 EIAERN CC(C)(C)OC(=O)N1CC[C@H](CSCc2cnc(Cl)s2)C1 ZINC000085340126 203543410 /nfs/dbraw/zinc/54/34/10/203543410.db2.gz NDEHMLSZDPUSLZ-JTQLQIEISA-N 0 0 348.921 4.287 10 0 EIAERN CC(C)(C)OC(=O)n1nc(-c2cccc(F)c2)c2cc(N)ccc21 ZINC000089195703 203570087 /nfs/dbraw/zinc/57/00/87/203570087.db2.gz MXIMFENVTUDWGO-UHFFFAOYSA-N 0 0 327.359 4.208 10 0 EIAERN O=C(OCc1ccccc1)c1ccc(OCc2ccccc2)c(O)c1 ZINC000098177700 203987692 /nfs/dbraw/zinc/98/76/92/203987692.db2.gz VJEWLMHAPKBHFM-UHFFFAOYSA-N 0 0 334.371 4.328 10 0 EIAERN O=C(/C=C\c1ccccc1)NCc1nn(C2CCCC2)c2c1CCCC2 ZINC000101323319 204003309 /nfs/dbraw/zinc/00/33/09/204003309.db2.gz UKIQIUVWDXLQOU-PFONDFGASA-N 0 0 349.478 4.207 10 0 EIAERN CO[C@@H](CNC(=O)/C=C\c1ccccc1Cl)c1ccccc1C ZINC000101322477 204004051 /nfs/dbraw/zinc/00/40/51/204004051.db2.gz RTXTXENWNLYZDD-JYBLJSLWSA-N 0 0 329.827 4.166 10 0 EIAERN O=C1[C@@H]2CCCC2=Nc2ccccc2N1Cc1cc(F)cc(F)c1 ZINC000101945699 204027932 /nfs/dbraw/zinc/02/79/32/204027932.db2.gz WNFZFBNGGVPVHH-OAHLLOKOSA-N 0 0 326.346 4.384 10 0 EIAERN CCCNc1nc(-c2cc(Br)cs2)nc(C)c1C ZINC000103991904 204092526 /nfs/dbraw/zinc/09/25/26/204092526.db2.gz YWKKEMGEEYPHQE-UHFFFAOYSA-N 0 0 326.263 4.406 10 0 EIAERN CC[C@@H](C)N(CCc1nc(-c2ccccc2)no1)C(=O)CC(C)(C)C ZINC000102846878 204052352 /nfs/dbraw/zinc/05/23/52/204052352.db2.gz DRRHHENPRAKPJZ-OAHLLOKOSA-N 0 0 343.471 4.342 10 0 EIAERN Ic1ccccc1Oc1cnnc2ccccc21 ZINC000104104357 204096598 /nfs/dbraw/zinc/09/65/98/204096598.db2.gz JOTKARWMOMRFRR-UHFFFAOYSA-N 0 0 348.143 4.027 10 0 EIAERN CCc1c(Cl)ncnc1NCc1ccccc1Br ZINC000104217088 204101255 /nfs/dbraw/zinc/10/12/55/204101255.db2.gz AHFYAOHTVPDOPO-UHFFFAOYSA-N 0 0 326.625 4.067 10 0 EIAERN CO[C@@H](C(=O)N[C@@H](C)c1cccc(Br)c1)c1ccccc1 ZINC000048069186 204339879 /nfs/dbraw/zinc/33/98/79/204339879.db2.gz CINPERRXFMVXEN-BLLLJJGKSA-N 0 0 348.240 4.014 10 0 EIAERN Cc1cc(N)c(NC(=O)c2ccccc2F)cc1N1CCC[C@H](C)C1 ZINC000226329954 205129113 /nfs/dbraw/zinc/12/91/13/205129113.db2.gz PQXDAANCHYDLGE-ZDUSSCGKSA-N 0 0 341.430 4.205 10 0 EIAERN Cc1ccccc1-c1nc2cc(N(C)C(=O)C(F)(F)F)ccc2o1 ZINC000226269367 205120331 /nfs/dbraw/zinc/12/03/31/205120331.db2.gz VPJIOJIWRIRRLX-UHFFFAOYSA-N 0 0 334.297 4.328 10 0 EIAERN Cc1cc(NC(=O)/C=C/c2ccccc2)cc(Br)c1O ZINC000226243389 205121166 /nfs/dbraw/zinc/12/11/66/205121166.db2.gz ODUXAYJMYVEXAM-BQYQJAHWSA-N 0 0 332.197 4.115 10 0 EIAERN C[C@@H]1CCCCN1c1c(Br)cc(N)cc1Br ZINC000226316516 205126283 /nfs/dbraw/zinc/12/62/83/205126283.db2.gz XGNRYEQEUDGFAI-MRVPVSSYSA-N 0 0 348.082 4.173 10 0 EIAERN Fc1ccc(OCCNc2ccccc2Br)cc1F ZINC000103995335 206480250 /nfs/dbraw/zinc/48/02/50/206480250.db2.gz GWIOZOFXBIQHPX-UHFFFAOYSA-N 0 0 328.156 4.218 10 0 EIAERN CC(C)(C)OC(=O)NCCN1Sc2ccc(Cl)cc2S1 ZINC000521400004 257928710 /nfs/dbraw/zinc/92/87/10/257928710.db2.gz OBHSYXDDYZTIEH-UHFFFAOYSA-N 0 0 332.878 4.195 10 0 EIAERN Nc1cccc(C(=O)N2CCC[C@H]2c2cccc(Br)c2)c1 ZINC000037817418 527513841 /nfs/dbraw/zinc/51/38/41/527513841.db2.gz SZLYYNCFGSPBSA-INIZCTEOSA-N 0 0 345.240 4.009 10 0 EIAERN CCc1c(Cn2ccnc2-c2cccc(F)c2)nc2ccc(F)cn21 ZINC000201500865 536073689 /nfs/dbraw/zinc/07/36/89/536073689.db2.gz QMFARBWHMHYSAV-UHFFFAOYSA-N 0 0 338.361 4.087 10 0 EIAERN COc1ccc(NC(=O)/C=C/c2ccc(Br)cc2)cc1 ZINC000000059708 563214136 /nfs/dbraw/zinc/21/41/36/563214136.db2.gz XUJIFCNCEQOBQU-NYYWCZLTSA-N 0 0 332.197 4.110 10 0 EIAERN COc1cc2ncnc(Nc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000003815044 563487916 /nfs/dbraw/zinc/48/79/16/563487916.db2.gz KEQCEKUDWPXRRQ-UHFFFAOYSA-N 0 0 349.312 4.409 10 0 EIAERN O=C1c2ccccc2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000006243224 563562354 /nfs/dbraw/zinc/56/23/54/563562354.db2.gz WJMHCWIMFSXQHE-UHFFFAOYSA-N 0 0 325.673 4.159 10 0 EIAERN COc1cc2c(c(OC)c1)[C@H](c1ccc(C)c3ncccc13)CC(=O)N2 ZINC000065509044 563961779 /nfs/dbraw/zinc/96/17/79/563961779.db2.gz GTEUFAUFYDAWIT-INIZCTEOSA-N 0 0 348.402 4.035 10 0 EIAERN CCCNC(=O)CSCc1nc(-c2ccc(Cl)cc2)oc1C ZINC000005057297 563994076 /nfs/dbraw/zinc/99/40/76/563994076.db2.gz LXAIPSQUHSSRJT-UHFFFAOYSA-N 0 0 338.860 4.063 10 0 EIAERN Cc1ccc(O)c(NC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)c1 ZINC000000426609 563998587 /nfs/dbraw/zinc/99/85/87/563998587.db2.gz IQJRHVLLAQYWHD-LBPRGKRZSA-N 0 0 328.412 4.092 10 0 EIAERN Oc1ccccc1-c1nc(/C=C/c2ccccn2)nn1-c1ccccc1 ZINC000005274342 564002260 /nfs/dbraw/zinc/00/22/60/564002260.db2.gz ICESDRMLWABBSX-BUHFOSPRSA-N 0 0 340.386 4.205 10 0 EIAERN Cc1ccc(C(=O)Nc2ccc3c(c2)ncnc3N2CCCCC2)cc1 ZINC000065135046 564022969 /nfs/dbraw/zinc/02/29/69/564022969.db2.gz FICAWWKGGVDWEX-UHFFFAOYSA-N 0 0 346.434 4.181 10 0 EIAERN C[C@@H]1CCC[C@@]1(O)c1cc(Br)cc(Br)c1 ZINC000521401882 564073844 /nfs/dbraw/zinc/07/38/44/564073844.db2.gz SEBOYSIJLAZHOC-PELKAZGASA-N 0 0 334.051 4.219 10 0 EIAERN Cc1nc(Oc2ccccc2)nc(C)c1NC(=O)C1CCCCC1 ZINC000224340041 564089715 /nfs/dbraw/zinc/08/97/15/564089715.db2.gz GYFITIGALRUOLR-UHFFFAOYSA-N 0 0 325.412 4.405 10 0 EIAERN O[C@@H]1CCC[C@@H]2C[C@@H]2CCC[C@@H]1Oc1cnn(Cc2ccccc2)c1 ZINC000675060667 564112307 /nfs/dbraw/zinc/11/23/07/564112307.db2.gz LDBWSUVTSWYAPA-JYRKZWEQSA-N 0 0 340.467 4.030 10 0 EIAERN CCOc1ccc(Cc2cccc(I)c2)cc1 ZINC000498050891 564113086 /nfs/dbraw/zinc/11/30/86/564113086.db2.gz YKTLYZKABLFTBN-UHFFFAOYSA-N 0 0 338.188 4.281 10 0 EIAERN CCc1ccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)c(N)c2)cc1 ZINC000226265963 564117273 /nfs/dbraw/zinc/11/72/73/564117273.db2.gz VNYUKQWNMGSTDQ-OAHLLOKOSA-N 0 0 337.467 4.462 10 0 EIAERN C[C@@]12CC[C@@H]3[C@H](C=CC4=C[C@H](O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 ZINC000253537471 564118022 /nfs/dbraw/zinc/11/80/22/564118022.db2.gz BFKPXLDFMBGVDL-OMZVWVDZSA-N 0 0 342.479 4.162 10 0 EIAERN COc1cccc(C(=O)Nc2c(C)[nH]nc2-c2cccc(Cl)c2)c1 ZINC000040426727 564169028 /nfs/dbraw/zinc/16/90/28/564169028.db2.gz AWFPQUYOPYKZEP-UHFFFAOYSA-N 0 0 341.798 4.299 10 0 EIAERN Cc1nn2c(c1-c1cccc(Cl)c1)NCN(Cc1ccccc1)C2 ZINC000009638448 564174341 /nfs/dbraw/zinc/17/43/41/564174341.db2.gz QFSQUSBQBZMMIV-UHFFFAOYSA-N 0 0 338.842 4.355 10 0 EIAERN C[C@H](COCc1ccccc1)CC(=O)C[C@H](C)NC(=O)OC(C)(C)C ZINC000685962159 564177254 /nfs/dbraw/zinc/17/72/54/564177254.db2.gz WRVAETOGVNSBME-HOTGVXAUSA-N 0 0 349.471 4.102 10 0 EIAERN Fc1ccc(-c2nc(C(F)(F)F)c(Br)s2)cn1 ZINC000616577647 564177365 /nfs/dbraw/zinc/17/73/65/564177365.db2.gz JZMSHPQMWNTAQT-UHFFFAOYSA-N 0 0 327.100 4.126 10 0 EIAERN CC[C@](C)(NC(=O)OC(C)(C)C)C(=O)CCCOCc1ccccc1 ZINC000405925031 564177640 /nfs/dbraw/zinc/17/76/40/564177640.db2.gz FUTGYORCJMQVIN-FQEVSTJZSA-N 0 0 349.471 4.246 10 0 EIAERN CN1CC[C@H](CNC(=O)c2ccccc2C(F)(F)F)c2ccccc21 ZINC000056045392 1032075841 /nfs/dbraw/zinc/07/58/41/1032075841.db2.gz RRCVBPBRUZBSKC-CYBMUJFWSA-N 0 0 348.368 4.059 10 0 EIAERN C[C@@H](NC(=O)N1CCC[C@@H]1c1cccc(Cl)c1)c1ccncc1 ZINC000120274833 1032193554 /nfs/dbraw/zinc/19/35/54/1032193554.db2.gz ODNZUMZVHJPVKH-CXAGYDPISA-N 0 0 329.831 4.343 10 0 EIAERN C[C@H](NC(=O)N1CCC[C@H]1c1cccc(Cl)c1)c1ccncc1 ZINC000120274981 1032193927 /nfs/dbraw/zinc/19/39/27/1032193927.db2.gz ODNZUMZVHJPVKH-GUYCJALGSA-N 0 0 329.831 4.343 10 0 EIAERN CN(C)c1ccccc1NC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000120666685 1032389958 /nfs/dbraw/zinc/38/99/58/1032389958.db2.gz YUWSIVDFJUNGRU-UHFFFAOYSA-N 0 0 339.414 4.213 10 0 EIAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Nc1cc(Cl)ccc1C ZINC000114566112 1022172955 /nfs/dbraw/zinc/17/29/55/1022172955.db2.gz YIEWVAQXRXMZOB-MRXNPFEDSA-N 0 0 346.862 4.368 10 0 EIAERN Cc1ccnc(-c2ccc(NC(=O)N3CC[C@H](C)C[C@@H](C)C3)cc2)n1 ZINC000124132089 1026785954 /nfs/dbraw/zinc/78/59/54/1026785954.db2.gz DPDATFRWMQUOOI-LSDHHAIUSA-N 0 0 338.455 4.352 10 0 EIAERN O=C(Nc1cccc(OCCF)c1)N1CC=C(c2cccs2)CC1 ZINC000122637752 1030922434 /nfs/dbraw/zinc/92/24/34/1030922434.db2.gz XPPRAAYCSBQSIN-UHFFFAOYSA-N 0 0 346.427 4.418 10 0 EIAERN O=C(C[C@@H]1CCOc2ccccc21)N1CC=C(c2ccccc2)CC1 ZINC000117570813 1031147225 /nfs/dbraw/zinc/14/72/25/1031147225.db2.gz NQBPTROKHIXBLO-IBGZPJMESA-N 0 0 333.431 4.259 10 0 EIAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000117649456 1031170356 /nfs/dbraw/zinc/17/03/56/1031170356.db2.gz KNDOCLKLKPXFAF-VFZGTOFNSA-N 0 0 339.288 4.348 10 0 EIAERN CCC(=O)Nc1cccc(C(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000117723475 1031210126 /nfs/dbraw/zinc/21/01/26/1031210126.db2.gz UXVAKZKRKDHTHD-UHFFFAOYSA-N 0 0 340.448 4.026 10 0 EIAERN CC(C)(C)[C@H](NC(=O)N1CCCC[C@@H]1c1ncc[nH]1)c1cccs1 ZINC000106537352 1031274801 /nfs/dbraw/zinc/27/48/01/1031274801.db2.gz JBWLVSMZFMRASH-UKRRQHHQSA-N 0 0 346.500 4.495 10 0 EIAERN CCCO[C@@H]1CCCN(C(=O)/C=C/c2cccc3cccnc23)CC1 ZINC000108232379 1031289227 /nfs/dbraw/zinc/28/92/27/1031289227.db2.gz VLKUKEIVXUWPIF-GNISGLHKSA-N 0 0 338.451 4.056 10 0 EIAERN CCOc1ccccc1NC(=O)N1CC=C(c2cccs2)CC1 ZINC000118008352 1031339264 /nfs/dbraw/zinc/33/92/64/1031339264.db2.gz INCSFRBTQIGYFL-UHFFFAOYSA-N 0 0 328.437 4.468 10 0 EIAERN CCC(CC)C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113219676 1031357920 /nfs/dbraw/zinc/35/79/20/1031357920.db2.gz YUGHRKZXHNUCOJ-QGZVFWFLSA-N 0 0 325.456 4.219 10 0 EIAERN CCC[C@@H](C)C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218897 1031358312 /nfs/dbraw/zinc/35/83/12/1031358312.db2.gz HWVXWWTZJZTKQW-NVXWUHKLSA-N 0 0 325.456 4.219 10 0 EIAERN CC(=O)c1ccc(NC(=O)N2CC=C(c3cccs3)CC2)cc1 ZINC000117954872 1031398776 /nfs/dbraw/zinc/39/87/76/1031398776.db2.gz FYTOQOLGSLUMNK-UHFFFAOYSA-N 0 0 326.421 4.272 10 0 EIAERN C[C@H](NC(=O)[C@@]1(C)CC1(Cl)Cl)c1ncc(-c2ccccc2)o1 ZINC000126322903 1031644607 /nfs/dbraw/zinc/64/46/07/1031644607.db2.gz WAANWBIHULRWFI-ZUZCIYMTSA-N 0 0 339.222 4.103 10 0 EIAERN CSc1cccc(NC(=O)NC2CCN(c3cccs3)CC2)c1 ZINC000128366739 1031736196 /nfs/dbraw/zinc/73/61/96/1031736196.db2.gz SETYQHZRQPXLEJ-UHFFFAOYSA-N 0 0 347.509 4.261 10 0 EIAERN Fc1ccccc1NC1CCN(Cc2nc3ccccc3o2)CC1 ZINC000128969900 1031769735 /nfs/dbraw/zinc/76/97/35/1031769735.db2.gz ZGIPZTXAZZYELI-UHFFFAOYSA-N 0 0 325.387 4.043 10 0 EIAERN Cc1csc(C2CCN(C(=O)[C@H]3C[C@H]3c3sccc3C)CC2)n1 ZINC000119312102 1031871196 /nfs/dbraw/zinc/87/11/96/1031871196.db2.gz RAMPLPWMJHFCND-CABCVRRESA-N 0 0 346.521 4.331 10 0 EIAERN Clc1ccc([C@H](NCc2cccc(Cl)c2)c2ncon2)cc1 ZINC000090202556 1039202024 /nfs/dbraw/zinc/20/20/24/1039202024.db2.gz DJOUULDCOYPHEQ-HNNXBMFYSA-N 0 0 334.206 4.256 10 0 EIAERN Cc1cc(CN[C@H](c2ncon2)c2ccc(Cl)cc2)ccc1F ZINC000090202135 1039202610 /nfs/dbraw/zinc/20/26/10/1039202610.db2.gz ZKXBEODDIWAXPF-INIZCTEOSA-N 0 0 331.778 4.050 10 0 EIAERN CCCCCC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113219052 1043287232 /nfs/dbraw/zinc/28/72/32/1043287232.db2.gz JBXFPTKEOFFCHF-KRWDZBQOSA-N 0 0 325.456 4.363 10 0 EIAERN O=C(C[C@@H]1CCCc2ccccc21)N1CCC[C@@H](c2nccs2)C1 ZINC000067048288 1045740402 /nfs/dbraw/zinc/74/04/02/1045740402.db2.gz HORJCHSUBLJDIE-DLBZAZTESA-N 0 0 340.492 4.359 10 0 EIAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)CCc3cccs3)C2)cc1 ZINC000078188121 1046008874 /nfs/dbraw/zinc/00/88/74/1046008874.db2.gz WXOIABLYUMANIL-GOEBONIOSA-N 0 0 329.465 4.094 10 0 EIAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3csc(C(C)C)n3)C2)cc1 ZINC000078187980 1046010339 /nfs/dbraw/zinc/01/03/39/1046010339.db2.gz CIKCWHYAKHOQBS-UKRRQHHQSA-N 0 0 344.480 4.293 10 0 EIAERN O=[S@@](Cc1ncc(-c2ccccc2Cl)o1)Cc1ccccc1 ZINC000078700949 1046103215 /nfs/dbraw/zinc/10/32/15/1046103215.db2.gz NZHYXNYCBLEGBS-QFIPXVFZSA-N 0 0 331.824 4.444 10 0 EIAERN COc1ccccc1[C@H](C)N(C)c1nncc(-c2ccccc2C)n1 ZINC000012594659 201856978 /nfs/dbraw/zinc/85/69/78/201856978.db2.gz XSGDCTWWTPKEIX-HNNXBMFYSA-N 0 0 334.423 4.053 10 0 EIAERN CCc1ccc2oc(C(=O)Nc3ccc(C(=O)OC)cc3)c(C)c2c1 ZINC000040037343 213252702 /nfs/dbraw/zinc/25/27/02/213252702.db2.gz XQTCWIDTEHVYOY-UHFFFAOYSA-N 0 0 337.375 4.343 10 0 EIAERN Brc1ccc(Oc2ccc(Br)cn2)cc1 ZINC000019806544 202022597 /nfs/dbraw/zinc/02/25/97/202022597.db2.gz PIYZIYIUATZFJI-UHFFFAOYSA-N 0 0 328.991 4.399 10 0 EIAERN Cc1cc(C)cc(NCC(=O)Nc2cccc(Br)c2)c1 ZINC000020053410 202030682 /nfs/dbraw/zinc/03/06/82/202030682.db2.gz HZYVYUVWBWEVFB-UHFFFAOYSA-N 0 0 333.229 4.117 10 0 EIAERN Cc1ccc(C)c(N2C(=S)N=NC2c2cc3sccc3n2C)c1 ZINC000020386414 202039957 /nfs/dbraw/zinc/03/99/57/202039957.db2.gz JMIDBQHJILOECX-UHFFFAOYSA-N 0 0 340.477 4.393 10 0 EIAERN Nc1cc(COc2ccc(Cl)c(Cl)c2)c2c(c1)COCO2 ZINC000038001355 202080392 /nfs/dbraw/zinc/08/03/92/202080392.db2.gz UPIUOMKTVCMWGJ-UHFFFAOYSA-N 0 0 326.179 4.021 10 0 EIAERN C[C@@H](Nc1ccc(-n2cccn2)nc1)c1ccc(Br)s1 ZINC000038002758 202081171 /nfs/dbraw/zinc/08/11/71/202081171.db2.gz ZQCLBNKVNZLXMQ-SNVBAGLBSA-N 0 0 349.257 4.264 10 0 EIAERN CC(C)(C)CCNC(=O)c1ccc(-c2ccc3c(c2)OCO3)s1 ZINC000022350214 202084717 /nfs/dbraw/zinc/08/47/17/202084717.db2.gz VJZCRLAFQRLPBO-UHFFFAOYSA-N 0 0 331.437 4.310 10 0 EIAERN CCN(Cc1cccc(F)c1)C(=O)c1cnc(Cl)c(Cl)c1 ZINC000037976545 202072138 /nfs/dbraw/zinc/07/21/38/202072138.db2.gz OBYWDFVNKBRIOY-UHFFFAOYSA-N 0 0 327.186 4.190 10 0 EIAERN COc1ccccc1-c1onc(C)c1C(=O)N[C@H](C)c1ccccc1 ZINC000022659739 202089743 /nfs/dbraw/zinc/08/97/43/202089743.db2.gz FGTUEDNCICCPKN-CYBMUJFWSA-N 0 0 336.391 4.150 10 0 EIAERN C[C@@H](c1ccc(Br)cc1)N1CCc2c(N)cccc2C1 ZINC000038032639 202090001 /nfs/dbraw/zinc/09/00/01/202090001.db2.gz WACULMUWZQGVBF-LBPRGKRZSA-N 0 0 331.257 4.151 10 0 EIAERN CCc1ncc(-c2cc(C(=O)NC(C)C)c3ccc(C)c(C)c3n2)cn1 ZINC000023158400 202099029 /nfs/dbraw/zinc/09/90/29/202099029.db2.gz WISHFNMYDKXCCK-UHFFFAOYSA-N 0 0 348.450 4.009 10 0 EIAERN C[C@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccc2ccccc2c1 ZINC000027412994 202154832 /nfs/dbraw/zinc/15/48/32/202154832.db2.gz BGZDVUMZDOJJJB-AWEZNQCLSA-N 0 0 333.387 4.102 10 0 EIAERN Cc1cc(C)c2c(c1)c(C)cc(=O)n2CC(=O)c1ccc(C)c(C)c1 ZINC000032530705 202226359 /nfs/dbraw/zinc/22/63/59/202226359.db2.gz NHBDEDLHNXPRHL-UHFFFAOYSA-N 0 0 333.431 4.427 10 0 EIAERN Cc1cccc2c(C)cc(=O)n(Cc3ccc(C(=O)OC(C)C)cc3)c12 ZINC000032530551 202226468 /nfs/dbraw/zinc/22/64/68/202226468.db2.gz AQOJXDIOIDILJL-UHFFFAOYSA-N 0 0 349.430 4.232 10 0 EIAERN CCn1cc(C(=O)Nc2ccc(C)cc2C)c(=O)c2cc(F)ccc21 ZINC000032607351 202229476 /nfs/dbraw/zinc/22/94/76/202229476.db2.gz ULWUMGMRBXIPCH-UHFFFAOYSA-N 0 0 338.382 4.030 10 0 EIAERN COc1ccc(OC)c(NC(=O)/C=C\c2c(F)cccc2Cl)c1 ZINC000033311002 202256605 /nfs/dbraw/zinc/25/66/05/202256605.db2.gz SETFHXISVXZZTI-CLFYSBASSA-N 0 0 335.762 4.148 10 0 EIAERN Cc1nn(C)c(Cl)c1/C=C\c1nc(-c2ccc(Cl)cc2)no1 ZINC000033374134 202259492 /nfs/dbraw/zinc/25/94/92/202259492.db2.gz ZLOJQMNHRQJVND-FPLPWBNLSA-N 0 0 335.194 4.256 10 0 EIAERN CCOC(=O)c1cc(OC(C)=O)c2c(C)c(OC)cc(C(C)C)c2c1 ZINC000034094465 202272951 /nfs/dbraw/zinc/27/29/51/202272951.db2.gz SNARTAGSQKQNJS-UHFFFAOYSA-N 0 0 344.407 4.382 10 0 EIAERN CCCOc1ccc(-c2nc(C(=O)N(C)C(C)C)cs2)cc1OC ZINC000034717346 202276080 /nfs/dbraw/zinc/27/60/80/202276080.db2.gz PFSUQYGLSGBSPU-UHFFFAOYSA-N 0 0 348.468 4.088 10 0 EIAERN C[C@@H](CCc1ccco1)Nc1cccc(I)c1 ZINC000035451942 202303383 /nfs/dbraw/zinc/30/33/83/202303383.db2.gz ZDIIWXRAMFJDDT-NSHDSACASA-N 0 0 341.192 4.317 10 0 EIAERN CC[C@@H](C)NC(=O)c1cncc(-c2ccccc2Br)c1 ZINC000036349257 202322995 /nfs/dbraw/zinc/32/29/95/202322995.db2.gz ORIBPWKRHKBILI-LLVKDONJSA-N 0 0 333.229 4.039 10 0 EIAERN O=C(NC1CCCCCC1)c1cc(Br)cn1C1CC1 ZINC000036860296 202333115 /nfs/dbraw/zinc/33/31/15/202333115.db2.gz QHXPJXHIIXKKIJ-UHFFFAOYSA-N 0 0 325.250 4.038 10 0 EIAERN COC(=O)CCCNc1c(Cl)cc(Br)cc1Cl ZINC000037286648 202339230 /nfs/dbraw/zinc/33/92/30/202339230.db2.gz LQAPRJTVKRPFAH-UHFFFAOYSA-N 0 0 341.032 4.121 10 0 EIAERN O=C(Nc1ncc(Br)s1)Nc1ccc(Cl)cc1 ZINC000037437302 202342328 /nfs/dbraw/zinc/34/23/28/202342328.db2.gz ROWPRIUBWVWGDT-UHFFFAOYSA-N 0 0 332.610 4.203 10 0 EIAERN CCOc1ccc(Cl)cc1NC(=O)c1cc(Br)c[nH]1 ZINC000037790982 202364929 /nfs/dbraw/zinc/36/49/29/202364929.db2.gz WFDUXMOVHKNHGL-UHFFFAOYSA-N 0 0 343.608 4.082 10 0 EIAERN COc1ccc(-c2nc(Br)c(Br)s2)cc1 ZINC000072192874 202365300 /nfs/dbraw/zinc/36/53/00/202365300.db2.gz PISFCMPYGFEXLN-UHFFFAOYSA-N 0 0 349.047 4.344 10 0 EIAERN COc1ccc(N[C@@H](C)c2ccc(Br)s2)cc1O ZINC000038003169 202385682 /nfs/dbraw/zinc/38/56/82/202385682.db2.gz NODVMUVZGOQTSI-QMMMGPOBSA-N 0 0 328.231 4.398 10 0 EIAERN O=C(Nc1nc(-c2ccc(OC(F)F)cc2)ns1)c1ccccc1 ZINC000040323583 202435097 /nfs/dbraw/zinc/43/50/97/202435097.db2.gz IFYCSPPAUQMJOP-UHFFFAOYSA-N 0 0 347.346 4.059 10 0 EIAERN Cc1ccc(C)c(Nc2ncnc(N3CCc4ccccc43)c2N)c1 ZINC000040687270 202459189 /nfs/dbraw/zinc/45/91/89/202459189.db2.gz RJEWEOCEMCYEGP-UHFFFAOYSA-N 0 0 331.423 4.113 10 0 EIAERN COc1ccc(Nc2ncnc(Nc3cccc(Cl)c3)c2N)cc1 ZINC000040781753 202464311 /nfs/dbraw/zinc/46/43/11/202464311.db2.gz WKPGPXDZTQHEFQ-UHFFFAOYSA-N 0 0 341.802 4.208 10 0 EIAERN CCc1ccc(OCCCC(=O)N(CC)CC)c(Br)c1 ZINC000040944078 202468925 /nfs/dbraw/zinc/46/89/25/202468925.db2.gz IGFCLIIDPCCDQT-UHFFFAOYSA-N 0 0 342.277 4.039 10 0 EIAERN Nc1c(NNc2ccccc2)ncnc1Oc1ccc2ccccc2c1 ZINC000040687788 202458262 /nfs/dbraw/zinc/45/82/62/202458262.db2.gz CXZQBFFQHWFBKO-UHFFFAOYSA-N 0 0 343.390 4.443 10 0 EIAERN CCN(c1ccccc1)c1ncnc(Nc2nc(C)c(C)s2)c1N ZINC000040679656 202458689 /nfs/dbraw/zinc/45/86/89/202458689.db2.gz LGHBCFMXVAXRCW-UHFFFAOYSA-N 0 0 340.456 4.034 10 0 EIAERN Cc1cc(NC(=O)C(F)(F)F)cc2nc(-c3ccccc3F)oc21 ZINC000226270639 201037487 /nfs/dbraw/zinc/03/74/87/201037487.db2.gz MVQVDZCSDKYGLR-UHFFFAOYSA-N 0 0 338.260 4.443 10 0 EIAERN Clc1ccc(COc2ccc(-c3nn4cnnc4s3)cc2)cc1 ZINC000226298548 201038589 /nfs/dbraw/zinc/03/85/89/201038589.db2.gz XYPCDCHDYFVTOJ-UHFFFAOYSA-N 0 0 342.811 4.085 10 0 EIAERN O=c1cc(-c2ccccc2)nc(Nc2ccc(C(F)(F)F)cc2)[nH]1 ZINC000041598834 201093966 /nfs/dbraw/zinc/09/39/66/201093966.db2.gz QYFORTKICYYSRX-UHFFFAOYSA-N 0 0 331.297 4.199 10 0 EIAERN Cc1ccc(-c2cc(=O)[nH]c(Nc3cc(F)ccc3Cl)n2)cc1 ZINC000057342113 201139153 /nfs/dbraw/zinc/13/91/53/201139153.db2.gz VNILQIWJNLJULH-UHFFFAOYSA-N 0 0 329.762 4.281 10 0 EIAERN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cc2cc(F)ccc2[nH]1 ZINC000078886075 201197903 /nfs/dbraw/zinc/19/79/03/201197903.db2.gz NNKRFCSNDDIVAL-JQWIXIFHSA-N 0 0 328.309 4.158 10 0 EIAERN O=C(CN(CC(F)(F)F)C1CC1)c1cc(Cl)sc1Cl ZINC000042776243 202501706 /nfs/dbraw/zinc/50/17/06/202501706.db2.gz QZECHRYLRWISAV-UHFFFAOYSA-N 0 0 332.174 4.264 10 0 EIAERN CCCC[C@@H](CC)[C@H]1NC(=O)N(SC(Cl)(Cl)Cl)C1=O ZINC000001759674 201358490 /nfs/dbraw/zinc/35/84/90/201358490.db2.gz VOGJJBHRUDVEFM-HTQZYQBOSA-N 0 0 347.695 4.099 10 0 in-man EIAERN CCCN(CCC)C(=O)c1ccc(NC(=O)N[C@@H](C)C(C)C)cc1 ZINC000047599111 202583267 /nfs/dbraw/zinc/58/32/67/202583267.db2.gz IYJZWDJCZFKCRK-HNNXBMFYSA-N 0 0 333.476 4.115 10 0 EIAERN CCOc1ccc(/C=C2\N=C(/C=C/c3ccccc3)OC2=O)cc1OC ZINC000000444612 201474274 /nfs/dbraw/zinc/47/42/74/201474274.db2.gz PYZYJMONWSSPIF-OUXZTOHCSA-N 0 0 349.386 4.104 10 0 EIAERN COC(=O)[C@H](C)CCC[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 ZINC000021987972 212268960 /nfs/dbraw/zinc/26/89/60/212268960.db2.gz IVNBWLOUAJYGFJ-ODXCJYRJSA-N 0 0 334.456 4.381 10 0 EIAERN O=C(Nc1ccc(Cl)cc1)SC1=NN=C2CCCCCN2C1 ZINC000226822553 242115682 /nfs/dbraw/zinc/11/56/82/242115682.db2.gz RLJDHYHTBGGTGK-UHFFFAOYSA-N 0 0 336.848 4.207 10 0 EIAERN CC(C)[C@H](NC(=O)c1ccc(Br)cn1)c1cccs1 ZINC000061873790 202791558 /nfs/dbraw/zinc/79/15/58/202791558.db2.gz DUZDOJKAIDMEOW-ZDUSSCGKSA-N 0 0 339.258 4.033 10 0 EIAERN Cc1c(C=O)c2ccccn2c1C(=O)c1ccccc1Br ZINC000003885099 201583227 /nfs/dbraw/zinc/58/32/27/201583227.db2.gz LGYCAUZWCIECKX-UHFFFAOYSA-N 0 0 342.192 4.054 10 0 EIAERN O=C1OC[C@@H]2Cc3ccccc3[C@@H](c3ccc(C(F)(F)F)cc3)N12 ZINC000005776566 201663179 /nfs/dbraw/zinc/66/31/79/201663179.db2.gz VPCNIOGWIMKYHH-GOEBONIOSA-N 0 0 333.309 4.172 10 0 EIAERN COc1ccccc1-c1csc(NC(=O)Nc2ccccc2)n1 ZINC000006470821 201682721 /nfs/dbraw/zinc/68/27/21/201682721.db2.gz WRPPJLCBWZNKPF-UHFFFAOYSA-N 0 0 325.393 4.463 10 0 EIAERN COCCN(C(=O)c1oc2ccc(Cl)cc2c1C)c1ccncc1 ZINC000069698622 203036819 /nfs/dbraw/zinc/03/68/19/203036819.db2.gz KZROFJMHBIMERY-UHFFFAOYSA-N 0 0 344.798 4.083 10 0 EIAERN Cn1cc(-c2nc3cc(Cl)ccc3[nH]2)c(-c2ccccc2F)n1 ZINC000072161902 203178201 /nfs/dbraw/zinc/17/82/01/203178201.db2.gz UKVGGDKEODWUNE-UHFFFAOYSA-N 0 0 326.762 4.423 10 0 EIAERN CCOC(=O)c1sc2nc(C)nc(Nc3cccc(F)c3)c2c1C ZINC000072260927 203185261 /nfs/dbraw/zinc/18/52/61/203185261.db2.gz SBLHQJAAZIKYQN-UHFFFAOYSA-N 0 0 345.399 4.368 10 0 EIAERN Cc1ccc(Nc2nc(N3C[C@@H](C)O[C@H](C)C3)nc3ccccc32)cc1 ZINC000072260475 203185966 /nfs/dbraw/zinc/18/59/66/203185966.db2.gz VEDDTGRGYWATMD-HZPDHXFCSA-N 0 0 348.450 4.295 10 0 EIAERN O=c1[nH]c(N2N=C(c3ccc(F)cc3)C[C@H]2c2cccs2)cs1 ZINC000072413949 203218820 /nfs/dbraw/zinc/21/88/20/203218820.db2.gz CNFPYFXBZSAIDB-ZDUSSCGKSA-N 0 0 345.424 4.304 10 0 EIAERN Brc1cc(OCc2ccccc2)cc(Br)n1 ZINC000079066811 203438906 /nfs/dbraw/zinc/43/89/06/203438906.db2.gz PSAGJQYMSMUCHE-UHFFFAOYSA-N 0 0 343.018 4.186 10 0 EIAERN CO[C@H](CNC(=O)/C=C\c1ccc(SC)cc1)c1ccc(C)s1 ZINC000101322516 204003144 /nfs/dbraw/zinc/00/31/44/204003144.db2.gz CLYQFQAGBDSTKZ-MRDWYFFCSA-N 0 0 347.505 4.296 10 0 EIAERN O=C1[C@H]2CCCC2=Nc2ccccc2N1Cc1cc(F)cc(F)c1 ZINC000101945694 204026887 /nfs/dbraw/zinc/02/68/87/204026887.db2.gz WNFZFBNGGVPVHH-HNNXBMFYSA-N 0 0 326.346 4.384 10 0 EIAERN CC(C)c1nnc(Cl)n1[C@@H](C)c1ccc(Br)cc1 ZINC000103928202 204089062 /nfs/dbraw/zinc/08/90/62/204089062.db2.gz QZBQRTADHUCSTI-VIFPVBQESA-N 0 0 328.641 4.427 10 0 EIAERN Cc1ccc(F)cc1C(=O)Cc1ccc(Br)cc1F ZINC000103940565 204090578 /nfs/dbraw/zinc/09/05/78/204090578.db2.gz UYDSYTHDBZVGCQ-UHFFFAOYSA-N 0 0 325.152 4.461 10 0 EIAERN CCc1nc(Cc2cccc(Br)c2)nc(Cl)c1C ZINC000104166060 204098190 /nfs/dbraw/zinc/09/81/90/204098190.db2.gz BGFFVZDPBXHCLQ-UHFFFAOYSA-N 0 0 325.637 4.354 10 0 EIAERN CCCCC[C@@H](Nc1ccc(Br)cc1)C(=O)OCC ZINC000104177062 204098513 /nfs/dbraw/zinc/09/85/13/204098513.db2.gz YHYJTUXKLXHINQ-CQSZACIVSA-N 0 0 328.250 4.373 10 0 EIAERN CCc1c(Cl)ncnc1Nc1ccc(F)cc1Br ZINC000104224752 204101081 /nfs/dbraw/zinc/10/10/81/204101081.db2.gz DYTGLUNRCWXDTA-UHFFFAOYSA-N 0 0 330.588 4.338 10 0 EIAERN C[C@@H]1c2ccsc2CCN1Cc1ccc(N)cc1Br ZINC000042738305 204142367 /nfs/dbraw/zinc/14/23/67/204142367.db2.gz SCTOGDVPCDIGBK-SNVBAGLBSA-N 0 0 337.286 4.212 10 0 EIAERN C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccco1)c1ccccc1Br ZINC000121272406 204788841 /nfs/dbraw/zinc/78/88/41/204788841.db2.gz ODDSUMAOLOTMSW-WCFLWFBJSA-N 0 0 334.213 4.023 10 0 EIAERN CC(C)(C)c1ccc(C(=O)Nc2cc(N)ccc2N2CCCC2)cc1 ZINC000226255661 205121278 /nfs/dbraw/zinc/12/12/78/205121278.db2.gz OIJHKQOVEQOCBO-UHFFFAOYSA-N 0 0 337.467 4.419 10 0 EIAERN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(-c3ccc(Cl)cc3N)o2)C1 ZINC000226301384 205124982 /nfs/dbraw/zinc/12/49/82/205124982.db2.gz DGOYBGXXWSKNPS-TXEJJXNPSA-N 0 0 332.831 4.300 10 0 EIAERN Nc1nc2c(cc(NC(=O)c3ccccc3Cl)cc2Cl)s1 ZINC000226310507 205126044 /nfs/dbraw/zinc/12/60/44/205126044.db2.gz ZKOCZQQRGJNSCU-UHFFFAOYSA-N 0 0 338.219 4.438 10 0 EIAERN CCCOc1ccc(C(=O)Nc2ccc(Br)cc2N)cc1 ZINC000226349533 205130922 /nfs/dbraw/zinc/13/09/22/205130922.db2.gz JAHKZEBEDWLQCV-UHFFFAOYSA-N 0 0 349.228 4.072 10 0 EIAERN Cc1ccc(NS(=O)(=O)c2ccc3c4c(cccc42)CC3)c(C)c1 ZINC000226861670 205160769 /nfs/dbraw/zinc/16/07/69/205160769.db2.gz ICEVHJHGONXDTE-UHFFFAOYSA-N 0 0 337.444 4.356 10 0 EIAERN Fc1ccc(COc2ccc(I)cc2)cc1 ZINC000000564511 206243246 /nfs/dbraw/zinc/24/32/46/206243246.db2.gz SVXDPJQGEYKIPA-UHFFFAOYSA-N 0 0 328.124 4.009 10 0 EIAERN CN(C[C@@H]1C[C@H]2CC[C@@H]1C2)C(=O)c1csc(Br)c1 ZINC000104234802 206485838 /nfs/dbraw/zinc/48/58/38/206485838.db2.gz YQDVRIZOPJGFNG-AXFHLTTASA-N 0 0 328.275 4.019 10 0 EIAERN COC(=O)c1ccc2c(c1)C1(CC1)C[C@H](c1ccc(F)cc1F)N2 ZINC000091692160 218049348 /nfs/dbraw/zinc/04/93/48/218049348.db2.gz PYFLOQVFSABRFF-QGZVFWFLSA-N 0 0 329.346 4.340 10 0 EIAERN CC[C@@H](NC(=O)c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000014597031 207772112 /nfs/dbraw/zinc/77/21/12/207772112.db2.gz VMVRXTVCVAGPQC-OAHLLOKOSA-N 0 0 336.204 4.469 10 0 EIAERN CCCCN1c2ccccc2C(=O)[C@](Cl)(Cc2ccccc2)C1=O ZINC000002145176 135656386 /nfs/dbraw/zinc/65/63/86/135656386.db2.gz MBKPWPHUWSIVGA-HXUWFJFHSA-N 0 0 341.838 4.236 10 0 EIAERN C[C@@H](NCc1cnn(C(C)(C)C)c1)c1ccccc1Br ZINC000037276884 525554879 /nfs/dbraw/zinc/55/48/79/525554879.db2.gz HPNTUHFNGHEUAU-GFCCVEGCSA-N 0 0 336.277 4.251 10 0 EIAERN CC(C)(C)OC(=O)N1Cc2c(Br)cccc2C2(CC2)C1 ZINC000216029881 534865754 /nfs/dbraw/zinc/86/57/54/534865754.db2.gz BJPVQXQSGMGLDB-UHFFFAOYSA-N 0 0 338.245 4.231 10 0 EIAERN O=C1CS[C@@H](c2ccccn2)N1c1ccc(Cl)c(Cl)c1 ZINC000000431377 563999475 /nfs/dbraw/zinc/99/94/75/563999475.db2.gz LAMSNXASONJHIQ-AWEZNQCLSA-N 0 0 325.220 4.167 10 0 EIAERN COc1ccc(-c2cn(C(=O)c3ccc(Cl)cc3)nc2C)cc1 ZINC000000109894 563229272 /nfs/dbraw/zinc/22/92/72/563229272.db2.gz DLAQXUQEYMWNOO-UHFFFAOYSA-N 0 0 326.783 4.209 10 0 EIAERN O=C(Nc1ccc(-c2noc(-c3cccs3)n2)cc1)c1ccccn1 ZINC000000224306 563262674 /nfs/dbraw/zinc/26/26/74/563262674.db2.gz SXGSHHGZQLWGMQ-UHFFFAOYSA-N 0 0 348.387 4.112 10 0 EIAERN Cc1ccc(CC(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)cc1 ZINC000098180681 563982227 /nfs/dbraw/zinc/98/22/27/563982227.db2.gz PPRRBVUJKSMSCD-UHFFFAOYSA-N 0 0 339.435 4.445 10 0 EIAERN CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@H]2CCC[C@H](C)[C@H]2C)cc1 ZINC000007028240 564033972 /nfs/dbraw/zinc/03/39/72/564033972.db2.gz CWIREUOYRDTFPL-LWGWVAHUSA-N 0 0 348.512 4.067 10 0 EIAERN CC1(C)OC[C@H]([C@@H](/C=C/c2ccc(O)cc2)c2ccc(O)cc2)O1 ZINC000096086293 564051238 /nfs/dbraw/zinc/05/12/38/564051238.db2.gz DGNCNVJVRJKHEP-ORFBMEDESA-N 0 0 326.392 4.046 10 0 biogenic EIAERN CC(C)C(=O)N1CCC(n2c3ccc(F)cc3nc2C2CCC2)CC1 ZINC000015069019 564053212 /nfs/dbraw/zinc/05/32/12/564053212.db2.gz DMHXWIHRHNZLFN-UHFFFAOYSA-N 0 0 343.446 4.262 10 0 EIAERN C[C@@H](CC(=O)OCc1ccccc1)OCc1cccc2cccnc21 ZINC000583652988 564075088 /nfs/dbraw/zinc/07/50/88/564075088.db2.gz QGIBUBOGZIJERW-INIZCTEOSA-N 0 0 335.403 4.273 10 0 EIAERN Cc1cc(C(F)(F)F)nc2cc(I)ccc12 ZINC000669372290 564084064 /nfs/dbraw/zinc/08/40/64/564084064.db2.gz MSSCFERJESZWQD-UHFFFAOYSA-N 0 0 337.082 4.167 10 0 EIAERN Cc1c(C)c(C(=O)NCc2ccco2)n(Cc2cccc(C)c2)c1C ZINC000006774990 564097511 /nfs/dbraw/zinc/09/75/11/564097511.db2.gz TUOHTAREODSUJQ-UHFFFAOYSA-N 0 0 336.435 4.293 10 0 EIAERN CCCCc1ccc(NC(=O)N2CCC(c3cc(N)on3)CC2)cc1 ZINC000065167871 564102127 /nfs/dbraw/zinc/10/21/27/564102127.db2.gz NFESVQWZUQPISG-UHFFFAOYSA-N 0 0 342.443 4.011 10 0 EIAERN CCc1noc2ncc(C(=O)O[C@@H]3CC[C@H]4CCCC[C@@H]4C3)cc12 ZINC000170621281 564110210 /nfs/dbraw/zinc/11/02/10/564110210.db2.gz PEZMBXRRRCDHTD-UMVBOHGHSA-N 0 0 328.412 4.301 10 0 EIAERN CC1(C)C=Cc2c(cc(=O)c3c(O)c(-c4ccc(O)cc4)coc2-3)O1 ZINC000013436958 564111709 /nfs/dbraw/zinc/11/17/09/564111709.db2.gz ZSYPWSSGRVZENH-UHFFFAOYSA-N 0 0 336.343 4.055 10 0 biogenic,in-vitro EIAERN CCC[C@@H](OC(=O)Cn1c2ccccc2sc1=O)c1ccccc1 ZINC000048523418 564129277 /nfs/dbraw/zinc/12/92/77/564129277.db2.gz BBXJLSSKBRFPBC-MRXNPFEDSA-N 0 0 341.432 4.148 10 0 EIAERN CC[C@H](C)[C@@H](NC(=O)C1CCC1)c1nc(-c2cccc(Cl)c2)no1 ZINC000096276031 564146255 /nfs/dbraw/zinc/14/62/55/564146255.db2.gz MHDIMELTTBKUCS-XHDPSFHLSA-N 0 0 347.846 4.394 10 0 EIAERN CCCCC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 ZINC000685961788 564177183 /nfs/dbraw/zinc/17/71/83/564177183.db2.gz OIDCPEXQLZMBFA-CRAIPNDOSA-N 0 0 349.471 4.244 10 0 EIAERN CCC[C@H](NC(=O)OC(C)(C)C)C(=O)CCCOCc1ccccc1 ZINC000405609819 564177596 /nfs/dbraw/zinc/17/75/96/564177596.db2.gz PLKYWESSYDSNHK-KRWDZBQOSA-N 0 0 349.471 4.246 10 0 EIAERN C[C@@H](NC(=O)N1CCC[C@H]1Cc1ccccc1Cl)c1ccncc1 ZINC000056552291 1032089114 /nfs/dbraw/zinc/08/91/14/1032089114.db2.gz KFAWZYDRUKFMSJ-PBHICJAKSA-N 0 0 343.858 4.213 10 0 EIAERN C[C@@H](c1cccs1)N(C)C(=O)NC[C@@H]1CCN(C)c2ccccc21 ZINC000057332798 1032099907 /nfs/dbraw/zinc/09/99/07/1032099907.db2.gz RKDAACYEKCTUGI-GJZGRUSLSA-N 0 0 343.496 4.074 10 0 EIAERN Cc1cc(C)n(CC2CCN(C(=O)c3ccc4ccccc4c3)CC2)n1 ZINC000062130878 1032140998 /nfs/dbraw/zinc/14/09/98/1032140998.db2.gz AQPPXEKMMOJXOB-UHFFFAOYSA-N 0 0 347.462 4.206 10 0 EIAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)Nc3cccnc3Cl)C2)cc1 ZINC000120820428 1032445959 /nfs/dbraw/zinc/44/59/59/1032445959.db2.gz MMJDPWQKYZLABL-OCCSQVGLSA-N 0 0 345.830 4.154 10 0 EIAERN Cc1ccccc1Cc1nnc(CN2CC=C(c3ccccc3)CC2)o1 ZINC000121024022 1032507592 /nfs/dbraw/zinc/50/75/92/1032507592.db2.gz ZCJFZXRPTUPBJK-UHFFFAOYSA-N 0 0 345.446 4.258 10 0 EIAERN CN(C)c1nc2ccc(NC(=O)N3CCC4(C3)CCCCC4)cc2o1 ZINC000125396431 1032803124 /nfs/dbraw/zinc/80/31/24/1032803124.db2.gz UXLBAPMWFSIRLX-UHFFFAOYSA-N 0 0 342.443 4.082 10 0 EIAERN CCC1CCC(NC(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC000119151847 1022402679 /nfs/dbraw/zinc/40/26/79/1022402679.db2.gz ZAQBSLBWNDRDRH-JDGDGYACSA-N 0 0 330.472 4.175 10 0 EIAERN Cc1csc(C2CCN(C(=O)c3cc(C)n(C(C)C)c3C)CC2)n1 ZINC000102646755 1022592962 /nfs/dbraw/zinc/59/29/62/1022592962.db2.gz KAIYNCNXKNEUIW-UHFFFAOYSA-N 0 0 345.512 4.471 10 0 EIAERN Cc1cc(-c2noc([C@@H](C)N[C@H](C)c3nccs3)n2)ccc1F ZINC000106240067 1022857984 /nfs/dbraw/zinc/85/79/84/1022857984.db2.gz JYHBGOIXKRSFAE-GHMZBOCLSA-N 0 0 332.404 4.052 10 0 EIAERN CC(=O)Nc1ccc(F)c(NC(=O)N2CCCC3(CCCCC3)C2)c1 ZINC000111719588 1023473992 /nfs/dbraw/zinc/47/39/92/1023473992.db2.gz TXXXZPVVLOIVDH-UHFFFAOYSA-N 0 0 347.434 4.362 10 0 EIAERN O=C(c1sccc1-c1ccccc1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000127605395 1023889021 /nfs/dbraw/zinc/88/90/21/1023889021.db2.gz NYGDURNJIZOPLB-OXQOHEQNSA-N 0 0 341.476 4.182 10 0 EIAERN C[C@H](NC(=O)C1CCN(c2nc3ccccc3s2)CC1)C(C)(C)C ZINC000112250044 1026669350 /nfs/dbraw/zinc/66/93/50/1026669350.db2.gz UFMLFWQOHLFLNS-ZDUSSCGKSA-N 0 0 345.512 4.064 10 0 EIAERN Cc1cc(NC(=O)N2CC[C@@H](C)C[C@H](C)C2)ccc1C(=O)NC(C)C ZINC000123097737 1026688186 /nfs/dbraw/zinc/68/81/86/1026688186.db2.gz NWTSIHSTJCGFBR-CABCVRRESA-N 0 0 345.487 4.033 10 0 EIAERN CC(C)Oc1ccccc1NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000114809307 1029619324 /nfs/dbraw/zinc/61/93/24/1029619324.db2.gz PVTUBBAFXXYAPR-AWEZNQCLSA-N 0 0 345.468 4.342 10 0 EIAERN CC(C)(CNC(=O)N1CCC[C@@H](c2nccs2)C1)c1ccccc1 ZINC000114823153 1029638607 /nfs/dbraw/zinc/63/86/07/1029638607.db2.gz MPUBIFPAKYCPTE-OAHLLOKOSA-N 0 0 343.496 4.010 10 0 EIAERN CC(C)(C)[C@@H](NC(=O)C[C@@H]1C(=O)Nc2ccccc21)c1cccs1 ZINC000122394708 1030813679 /nfs/dbraw/zinc/81/36/79/1030813679.db2.gz GQICCJXZZVONFY-GUYCJALGSA-N 0 0 342.464 4.078 10 0 EIAERN C[C@@H](NC(=O)NC(c1cccs1)c1cccs1)c1ccncc1 ZINC000122424616 1030827966 /nfs/dbraw/zinc/82/79/66/1030827966.db2.gz FHBOBHBVLHMQJJ-GFCCVEGCSA-N 0 0 343.477 4.354 10 0 EIAERN O=C([C@H]1C[C@H]1c1c(F)cccc1F)N1CC=C(c2cccs2)CC1 ZINC000117723938 1031209393 /nfs/dbraw/zinc/20/93/93/1031209393.db2.gz QXVWRIJOTWZHGQ-KGLIPLIRSA-N 0 0 345.414 4.446 10 0 EIAERN Cc1cc(N2CC=C(c3cccs3)CC2)nc(-c2ccncc2)n1 ZINC000117867904 1031261934 /nfs/dbraw/zinc/26/19/34/1031261934.db2.gz DWALGJBPAIUAPR-UHFFFAOYSA-N 0 0 334.448 4.202 10 0 EIAERN CC(=O)Nc1ccc(NC(=O)N2CC=C(c3cccs3)CC2)cc1 ZINC000118009686 1031338912 /nfs/dbraw/zinc/33/89/12/1031338912.db2.gz BYMIKCBAJONVHF-UHFFFAOYSA-N 0 0 341.436 4.028 10 0 EIAERN O=C(c1ccccc1F)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218363 1031357251 /nfs/dbraw/zinc/35/72/51/1031357251.db2.gz XEZIINVEGVZLEC-INIZCTEOSA-N 0 0 349.409 4.236 10 0 EIAERN Cc1csc(C2CCN(C(=O)c3coc4ccccc34)CC2)n1 ZINC000113165666 1031357681 /nfs/dbraw/zinc/35/76/81/1031357681.db2.gz NWOGFUKMSNAHNC-UHFFFAOYSA-N 0 0 326.421 4.218 10 0 EIAERN O=C(Nc1cccc(C(F)F)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000114813697 1031371923 /nfs/dbraw/zinc/37/19/23/1031371923.db2.gz QXHCKWKHVJIZLO-GFCCVEGCSA-N 0 0 337.395 4.492 10 0 EIAERN CC[C@@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1cccs1 ZINC000114825014 1031374945 /nfs/dbraw/zinc/37/49/45/1031374945.db2.gz RPDCBARAWUVBMH-QWHCGFSZSA-N 0 0 335.498 4.245 10 0 EIAERN Cc1cccc(OC(F)F)c1NC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000117640632 1031392528 /nfs/dbraw/zinc/39/25/28/1031392528.db2.gz YIPUOUJKHKARDS-ZBEGNZNMSA-N 0 0 333.334 4.100 10 0 EIAERN CCOc1ncc(C(=O)N2CC=C(c3cccs3)CC2)cc1Cl ZINC000117723890 1031394730 /nfs/dbraw/zinc/39/47/30/1031394730.db2.gz NNCTYQMTNCJOQT-UHFFFAOYSA-N 0 0 348.855 4.125 10 0 EIAERN CCS[C@H](C)c1noc(CN2CC=C(c3ccccc3)CC2)n1 ZINC000120356989 1031427738 /nfs/dbraw/zinc/42/77/38/1031427738.db2.gz ZARCNJJNQYRBJR-CQSZACIVSA-N 0 0 329.469 4.173 10 0 EIAERN Cc1cc(C)cc(CCC(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000128296210 1031734595 /nfs/dbraw/zinc/73/45/95/1031734595.db2.gz ROMPRJUELVCABZ-QGZVFWFLSA-N 0 0 328.481 4.099 10 0 EIAERN Clc1ccc([C@@H](NC/C=C/c2ccccc2)c2ncon2)cc1 ZINC000090202610 1039201653 /nfs/dbraw/zinc/20/16/53/1039201653.db2.gz FXBVYNRQRCSTJT-BBOMDTFKSA-N 0 0 325.799 4.115 10 0 EIAERN CC(C)c1nn(C)c(Cl)c1CN1CCC(OC2CCCC2)CC1 ZINC000092758861 1039581790 /nfs/dbraw/zinc/58/17/90/1039581790.db2.gz DHQDZWPAVZMPTI-UHFFFAOYSA-N 0 0 339.911 4.121 10 0 EIAERN O=C(N[C@H]1CCCc2ccc(F)cc21)N[C@H]1CCOc2ccccc21 ZINC000093120483 1042842305 /nfs/dbraw/zinc/84/23/05/1042842305.db2.gz UMPMUCOKDDNLJO-ROUUACIJSA-N 0 0 340.398 4.026 10 0 EIAERN CC(C)COc1cccc(C(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000067048874 1045738570 /nfs/dbraw/zinc/73/85/70/1045738570.db2.gz IXFJOYBKECMICL-MRXNPFEDSA-N 0 0 344.480 4.198 10 0 EIAERN Cc1cc2[nH]c(C(=O)N3CCC[C@H](c4nccs4)C3)cc2c(C)c1 ZINC000067048545 1045739642 /nfs/dbraw/zinc/73/96/42/1045739642.db2.gz SJHDGQNLDQOHPE-AWEZNQCLSA-N 0 0 339.464 4.261 10 0 EIAERN COc1cccc(-c2noc(CN[C@H](C)c3ccc(Cl)cc3)n2)c1 ZINC000072823621 1045797645 /nfs/dbraw/zinc/79/76/45/1045797645.db2.gz VOILVDWNVUOVBQ-GFCCVEGCSA-N 0 0 343.814 4.249 10 0 EIAERN COc1cccc(-c2noc(CN[C@H](C)c3ccccc3Cl)n2)c1 ZINC000078518271 1046069642 /nfs/dbraw/zinc/06/96/42/1046069642.db2.gz HDMQLZXSZFVWFH-GFCCVEGCSA-N 0 0 343.814 4.249 10 0 EIAERN Cc1ccc(S(=O)(=O)Cc2ncc(-c3ccccc3Cl)o2)cc1 ZINC000078789579 1046128326 /nfs/dbraw/zinc/12/83/26/1046128326.db2.gz NLSWRQGJNITTTP-UHFFFAOYSA-N 0 0 347.823 4.277 10 0 EIAERN COc1ccc([S@@](=O)Cc2ncc(-c3ccccc3Cl)o2)cc1 ZINC000080139345 1046455769 /nfs/dbraw/zinc/45/57/69/1046455769.db2.gz BFCCEDSBYIPNPZ-HSZRJFAPSA-N 0 0 347.823 4.311 10 0 EIAERN CN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCc2c1cccc2F ZINC000056857664 214392159 /nfs/dbraw/zinc/39/21/59/214392159.db2.gz VTOLONRPPHOBFO-AWEZNQCLSA-N 0 0 338.835 4.370 10 0 EIAERN COc1ccc(-c2cc(-c3cccs3)c3c(N)ncnc3n2)cc1 ZINC000009694577 201784792 /nfs/dbraw/zinc/78/47/92/201784792.db2.gz UXWWASOZRAFHQD-UHFFFAOYSA-N 0 0 334.404 4.011 10 0 EIAERN CCc1cccc(C)c1NC(=S)NC(=O)CCc1ccccc1 ZINC000014001438 201923498 /nfs/dbraw/zinc/92/34/98/201923498.db2.gz IQRBVCXCBGREEL-UHFFFAOYSA-N 0 0 326.465 4.003 10 0 EIAERN C[C@@H](NC(=O)c1ccc([S@@](C)=O)cc1)c1ccc2ccccc2c1 ZINC000014416331 201937115 /nfs/dbraw/zinc/93/71/15/201937115.db2.gz JMCRFRWPYMNEPJ-SHACYNPGSA-N 0 0 337.444 4.068 10 0 EIAERN Brc1cccc(Nc2ncnc3ccc4[nH]cnc4c32)c1 ZINC000003815222 210076347 /nfs/dbraw/zinc/07/63/47/210076347.db2.gz ZCTBHAZSEIICRJ-UHFFFAOYSA-N 0 0 340.184 4.012 10 0 EIAERN C[C@@H](NC(=O)c1cccc(N(C)C)c1)c1ccccc1Br ZINC000014425911 201937607 /nfs/dbraw/zinc/93/76/07/201937607.db2.gz VJHLZHITWRTKHB-GFCCVEGCSA-N 0 0 347.256 4.006 10 0 EIAERN CC[C@H](C)[C@@H](c1nc(CC(C)C)no1)N1Cc2ccccc2C1=O ZINC000019113728 201998687 /nfs/dbraw/zinc/99/86/87/201998687.db2.gz ZIZLUPLFYZUORW-GUYCJALGSA-N 0 0 327.428 4.011 10 0 EIAERN Nc1ccc(CSc2nc3ccccc3[nH]2)c(Br)c1 ZINC000037516220 202000714 /nfs/dbraw/zinc/00/07/14/202000714.db2.gz FTTHRQATAGFAHG-UHFFFAOYSA-N 0 0 334.242 4.200 10 0 EIAERN COC(=O)c1ccc(C)c(NCc2cc(Br)cs2)c1 ZINC000037508034 202002915 /nfs/dbraw/zinc/00/29/15/202002915.db2.gz BCVLWJYWDLTOLP-UHFFFAOYSA-N 0 0 340.242 4.218 10 0 EIAERN CCc1cccc(C)c1NC(=S)N(Cc1cccnc1)C1CC1 ZINC000020213456 202035030 /nfs/dbraw/zinc/03/50/30/202035030.db2.gz NYGPVICVGXMTQI-UHFFFAOYSA-N 0 0 325.481 4.314 10 0 EIAERN COc1cc(Br)cc(C)c1N[C@H](C)CC(C)(C)OC ZINC000037776840 202036746 /nfs/dbraw/zinc/03/67/46/202036746.db2.gz NYBBAWBQEBXEBA-LLVKDONJSA-N 0 0 330.266 4.382 10 0 EIAERN O=C(Cn1c(-c2cccs2)cc2ccccc21)NCc1ccccn1 ZINC000021528217 202066479 /nfs/dbraw/zinc/06/64/79/202066479.db2.gz HTRIQCMSXMSDKF-UHFFFAOYSA-N 0 0 347.443 4.081 10 0 in-vitro EIAERN C[C@H](Oc1ccccc1)c1[nH]nc2c1CN(Cc1ccsc1)CC2 ZINC000020920020 202058144 /nfs/dbraw/zinc/05/81/44/202058144.db2.gz JUDKSQOXEBXWQU-AWEZNQCLSA-N 0 0 339.464 4.170 10 0 EIAERN CN1C(=O)c2ccc(-c3nc4cc(C(C)(C)C)ccc4o3)cc2C1=O ZINC000021127639 202062122 /nfs/dbraw/zinc/06/21/22/202062122.db2.gz AWCRSQGZULBCIZ-UHFFFAOYSA-N 0 0 334.375 4.018 10 0 EIAERN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cnc(Cl)c(Cl)c1 ZINC000037981471 202074505 /nfs/dbraw/zinc/07/45/05/202074505.db2.gz HYQRLJVSPROJEG-IUCAKERBSA-N 0 0 341.160 4.239 10 0 EIAERN O=C(N[C@H]1CCCC[C@@H]1C(F)(F)F)c1cnc(Cl)c(Cl)c1 ZINC000037981251 202074861 /nfs/dbraw/zinc/07/48/61/202074861.db2.gz KOBBFOFYTCAVGR-WPRPVWTQSA-N 0 0 341.160 4.239 10 0 EIAERN COc1cccc([C@@H](C)NC(=O)c2c(C)noc2-c2cccs2)c1 ZINC000022668301 202089790 /nfs/dbraw/zinc/08/97/90/202089790.db2.gz SXEIXCUSOPGZRP-LLVKDONJSA-N 0 0 342.420 4.211 10 0 EIAERN CSc1ncc(Cl)c(C(=O)Nc2c(Cl)cccc2Cl)n1 ZINC000027666109 202159712 /nfs/dbraw/zinc/15/97/12/202159712.db2.gz GPSQLDLPQUYLMT-UHFFFAOYSA-N 0 0 348.642 4.411 10 0 EIAERN CC(=O)Nc1nc2nc(C)ncc2cc1-c1c(Cl)cccc1Cl ZINC000027328771 202153914 /nfs/dbraw/zinc/15/39/14/202153914.db2.gz IIHABLPIAUHBTM-UHFFFAOYSA-N 0 0 347.205 4.265 10 0 EIAERN C[C@@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccc2ccccc2c1 ZINC000027412989 202154760 /nfs/dbraw/zinc/15/47/60/202154760.db2.gz BGZDVUMZDOJJJB-CQSZACIVSA-N 0 0 333.387 4.102 10 0 EIAERN O=c1nc(C2CC2)n(-c2cccc(C(F)(F)F)c2)c2ccccc12 ZINC000027645724 202159110 /nfs/dbraw/zinc/15/91/10/202159110.db2.gz XNJPBVDDFZGUEA-UHFFFAOYSA-N 0 0 330.309 4.282 10 0 EIAERN Nc1n[nH]c2cccc(-c3ccc(NC(=O)C4CCCCC4)cc3)c12 ZINC000028604308 202172813 /nfs/dbraw/zinc/17/28/13/202172813.db2.gz ICAGRINJJFYTOB-UHFFFAOYSA-N 0 0 334.423 4.331 10 0 EIAERN COc1cc2c(Nc3ccc(Cl)cc3)ncnc2c(OC)c1OC ZINC000028650353 202174029 /nfs/dbraw/zinc/17/40/29/202174029.db2.gz CFVBXTSWGBYSNC-UHFFFAOYSA-N 0 0 345.786 4.053 10 0 EIAERN COc1ccc(O)cc1C(C)(C)C(C)(C)c1cc(O)ccc1OC ZINC000028757105 202177223 /nfs/dbraw/zinc/17/72/23/202177223.db2.gz NCHOWBKXULSVAQ-UHFFFAOYSA-N 0 0 330.424 4.370 10 0 EIAERN COc1ccc2c(c1)ncnc2Nc1ccc(C)c(Br)c1 ZINC000032544435 202226751 /nfs/dbraw/zinc/22/67/51/202226751.db2.gz LNVXRYRLKFEKPF-UHFFFAOYSA-N 0 0 344.212 4.453 10 0 EIAERN COc1cccc2c(C)cc(=O)n(CCCOc3ccc(C)cc3)c12 ZINC000032530931 202226882 /nfs/dbraw/zinc/22/68/82/202226882.db2.gz VRBSFVIGAWXAMG-UHFFFAOYSA-N 0 0 337.419 4.096 10 0 EIAERN COc1cc2nc(C(F)(F)F)nc(Nc3ccccc3)c2cc1OC ZINC000032544840 202227332 /nfs/dbraw/zinc/22/73/32/202227332.db2.gz BIJPPFVAUZJVSM-UHFFFAOYSA-N 0 0 349.312 4.409 10 0 EIAERN COc1ccc2c(c1)nc(C(F)(F)F)nc2Nc1ccc(O)cc1C ZINC000032545296 202227455 /nfs/dbraw/zinc/22/74/55/202227455.db2.gz ZLVMEAQTEQNTSY-UHFFFAOYSA-N 0 0 349.312 4.415 10 0 EIAERN CCn1c(C)cc(=O)c2cc(C(=O)Nc3cccc(Cl)c3)ccc21 ZINC000032605918 202228932 /nfs/dbraw/zinc/22/89/32/202228932.db2.gz SVXGGRVBHPILKZ-UHFFFAOYSA-N 0 0 340.810 4.236 10 0 EIAERN CCCCOC(=O)c1cc(-c2ccccn2)nc(-c2ccccn2)c1 ZINC000033369571 202259938 /nfs/dbraw/zinc/25/99/38/202259938.db2.gz GMSWATKNAXIMOC-UHFFFAOYSA-N 0 0 333.391 4.163 10 0 EIAERN CCNC(=O)C(C)(C)Oc1ccc(Cc2ccc(Cl)cc2)cc1 ZINC000033866080 202270591 /nfs/dbraw/zinc/27/05/91/202270591.db2.gz ANYIRRMSXXPYED-UHFFFAOYSA-N 0 0 331.843 4.224 10 0 EIAERN Cn1nccc1-c1cccc(-c2noc(-c3cc4ccccc4[nH]3)n2)c1 ZINC000035461747 202304728 /nfs/dbraw/zinc/30/47/28/202304728.db2.gz WYZBOKJVRRRGNN-UHFFFAOYSA-N 0 0 341.374 4.285 10 0 EIAERN CCCN[C@@H](c1ccc(OC)c(Br)c1)C(F)(F)F ZINC000035572493 202307248 /nfs/dbraw/zinc/30/72/48/202307248.db2.gz PLCCHGQKGGWMGR-NSHDSACASA-N 0 0 326.156 4.061 10 0 EIAERN COc1ccc(Br)cc1C(=O)c1ccc(Cl)cc1F ZINC000036944719 202334032 /nfs/dbraw/zinc/33/40/32/202334032.db2.gz LMHPDIGGUJICQP-UHFFFAOYSA-N 0 0 343.579 4.481 10 0 EIAERN O=C(c1ccc(Br)cc1F)c1c(F)cc(F)cc1F ZINC000037358823 202339919 /nfs/dbraw/zinc/33/99/19/202339919.db2.gz ILBPXAYFMIGFFZ-UHFFFAOYSA-N 0 0 333.078 4.237 10 0 EIAERN CCCCCC[C@](C)(Nc1cccc(Br)c1)C(N)=O ZINC000037944377 202379005 /nfs/dbraw/zinc/37/90/05/202379005.db2.gz KXWOQQRSEIVYGE-HNNXBMFYSA-N 0 0 327.266 4.075 10 0 EIAERN COc1ccc(N[C@H](C)c2ccc(Br)s2)cc1O ZINC000038003170 202384990 /nfs/dbraw/zinc/38/49/90/202384990.db2.gz NODVMUVZGOQTSI-MRVPVSSYSA-N 0 0 328.231 4.398 10 0 EIAERN Cc1ccc(-c2nc3ccccc3n2CC(=O)N2CCCCC2)c(C)c1 ZINC000040210817 202429654 /nfs/dbraw/zinc/42/96/54/202429654.db2.gz GLDBBGWLTXPMBA-UHFFFAOYSA-N 0 0 347.462 4.333 10 0 EIAERN COCCn1c(COc2cccc(C)c2)nc2ccc(Cl)cc21 ZINC000040404757 202438062 /nfs/dbraw/zinc/43/80/62/202438062.db2.gz ZUXYFMXLHYHGKI-UHFFFAOYSA-N 0 0 330.815 4.224 10 0 EIAERN CC(C)c1ccc(Oc2ncnc(N3CCCCCC3)c2N)cc1 ZINC000040725368 202461729 /nfs/dbraw/zinc/46/17/29/202461729.db2.gz SPXQBOJMMGVKSU-UHFFFAOYSA-N 0 0 326.444 4.355 10 0 EIAERN Nc1c(Nc2cccc3cccnc32)ncnc1OC1CCCCC1 ZINC000040758517 202462905 /nfs/dbraw/zinc/46/29/05/202462905.db2.gz OIXWSYCTHHQOLY-UHFFFAOYSA-N 0 0 335.411 4.062 10 0 EIAERN Nc1c(Nc2ccc(F)c(Cl)c2)[nH]cnc1=NNc1ccccc1 ZINC000040757576 202463453 /nfs/dbraw/zinc/46/34/53/202463453.db2.gz RFTBCYGHWCURQC-UHFFFAOYSA-N 0 0 344.781 4.034 10 0 EIAERN CCCCNC(=O)COc1cc(C)c(Cl)c(C)c1Br ZINC000040944048 202469502 /nfs/dbraw/zinc/46/95/02/202469502.db2.gz XWRCZRACCCXCEL-UHFFFAOYSA-N 0 0 348.668 4.014 10 0 EIAERN CCc1ccc(Nc2ncnc(N(CC(C)C)CC(C)C)c2N)cc1 ZINC000040688438 202458358 /nfs/dbraw/zinc/45/83/58/202458358.db2.gz ANUIXSOFBZHBGA-UHFFFAOYSA-N 0 0 341.503 4.483 10 0 EIAERN Cc1ccc(Nc2ncnc(Oc3cccc4ccccc43)c2N)nc1 ZINC000040683398 202458868 /nfs/dbraw/zinc/45/88/68/202458868.db2.gz YDTJCWHCZLUTGW-UHFFFAOYSA-N 0 0 343.390 4.451 10 0 EIAERN Cc1ccc(C(=O)Nc2ccc([C@@H](C)O)cc2)cc1Br ZINC000226273169 201037612 /nfs/dbraw/zinc/03/76/12/201037612.db2.gz QQKXTMOZFASNQL-LLVKDONJSA-N 0 0 334.213 4.063 10 0 EIAERN O=C([O-])[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1C(F)(F)F ZINC000301055217 201059602 /nfs/dbraw/zinc/05/96/02/201059602.db2.gz ZDPZJDZVNAEGBB-HOTGVXAUSA-N 0 0 349.352 4.006 10 0 EIAERN O=c1cc(-c2ccccc2)nc(NCc2ccccc2C(F)(F)F)[nH]1 ZINC000057341571 201139092 /nfs/dbraw/zinc/13/90/92/201139092.db2.gz PSRRQIRPACQSPT-UHFFFAOYSA-N 0 0 345.324 4.068 10 0 EIAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cc2cc(F)ccc2[nH]1 ZINC000078886074 201198418 /nfs/dbraw/zinc/19/84/18/201198418.db2.gz NNKRFCSNDDIVAL-CMPLNLGQSA-N 0 0 328.309 4.158 10 0 EIAERN CN1C[C@H](c2ccccc2)C(=O)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000255975942 201190654 /nfs/dbraw/zinc/19/06/54/201190654.db2.gz HDDWJXJLZCWVBF-IAGOWNOFSA-N 0 0 333.353 4.087 10 0 EIAERN CCOC(=O)c1cccc(Nc2cc(-c3ccc(OC)cc3)ncn2)c1 ZINC000090470790 201371353 /nfs/dbraw/zinc/37/13/53/201371353.db2.gz XMDUACXSGLAJCU-UHFFFAOYSA-N 0 0 349.390 4.073 10 0 EIAERN Cc1cc(Cl)nc(Nc2nc3cc(Cl)c(Cl)cc3[nH]2)n1 ZINC000001726620 201359251 /nfs/dbraw/zinc/35/92/51/201359251.db2.gz RIBTXFBUBQVDGI-UHFFFAOYSA-N 0 0 328.590 4.365 10 0 EIAERN CCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C ZINC000005656896 201361320 /nfs/dbraw/zinc/36/13/20/201361320.db2.gz CRJUJZNGVQRIJL-UHFFFAOYSA-N 0 0 336.391 4.472 10 0 EIAERN O=C(COc1ccccc1Br)c1ccccc1Cl ZINC000047820384 202586074 /nfs/dbraw/zinc/58/60/74/202586074.db2.gz OQQUMTFMYMPHLX-UHFFFAOYSA-N 0 0 325.589 4.364 10 0 EIAERN O=C(c1ccc(Cl)cc1Cl)[C@H]1O[C@@H]1C(Cl)(Cl)Cl ZINC000000160255 201441721 /nfs/dbraw/zinc/44/17/21/201441721.db2.gz LDPFEPGGLUKXDY-BDAKNGLRSA-N 0 0 334.413 4.314 10 0 EIAERN O=C1c2ccccc2CCC[C@]12O[C@H]2c1ccc(Br)cc1 ZINC000000163854 201443469 /nfs/dbraw/zinc/44/34/69/201443469.db2.gz FFIGGUZNKZJROU-ROUUACIJSA-N 0 0 343.220 4.478 10 0 EIAERN COc1ccc(OC)c(/C=C/C(=O)Nc2ccc(OC)c(Cl)c2)c1 ZINC000003472208 201573498 /nfs/dbraw/zinc/57/34/98/201573498.db2.gz QDHMAEOJCOCGSK-RUDMXATFSA-N 0 0 347.798 4.018 10 0 EIAERN CCc1ccc(N[C@@H]2c3ccccc3C(=O)N2c2cccnc2)cc1 ZINC000004917886 201626835 /nfs/dbraw/zinc/62/68/35/201626835.db2.gz SIDDDNKPKWZSDS-FQEVSTJZSA-N 0 0 329.403 4.415 10 0 EIAERN Cc1ccc(C)c(-c2cn3ccn(-c4cc(C)cc(C)c4)c(=O)c3n2)c1 ZINC000064675334 202815630 /nfs/dbraw/zinc/81/56/30/202815630.db2.gz HXYDMKDDAJBUDR-UHFFFAOYSA-N 0 0 343.430 4.386 10 0 EIAERN CCOc1ccccc1/C=C/C(=O)Nc1nc2c(cccc2F)s1 ZINC000065005158 202822787 /nfs/dbraw/zinc/82/27/87/202822787.db2.gz NRZOMYHUSHIRQI-ZHACJKMWSA-N 0 0 342.395 4.486 10 0 EIAERN CCCc1nn(Cc2ccc(Br)cc2)c(Cl)c1C=O ZINC000071194244 203087718 /nfs/dbraw/zinc/08/77/18/203087718.db2.gz AXCVTQJIPSFENS-UHFFFAOYSA-N 0 0 341.636 4.112 10 0 EIAERN Brc1nc(-c2ccsc2)sc1Br ZINC000072192898 203183177 /nfs/dbraw/zinc/18/31/77/203183177.db2.gz XHSBQVMCEGFWPM-UHFFFAOYSA-N 0 0 325.050 4.397 10 0 EIAERN CCc1ccc(Nc2nc3nccc(-c4ccccc4)c3c(=O)[nH]2)cc1 ZINC000072440022 203224739 /nfs/dbraw/zinc/22/47/39/203224739.db2.gz FPYXGBKEVIQHGE-UHFFFAOYSA-N 0 0 342.402 4.291 10 0 EIAERN Cc1ccccc1Nc1nc2nccc(-c3cccs3)c2c(=O)[nH]1 ZINC000072441137 203225900 /nfs/dbraw/zinc/22/59/00/203225900.db2.gz GMBNGZGNDYOZHP-UHFFFAOYSA-N 0 0 334.404 4.099 10 0 EIAERN Cc1ccc(C)c(NC(=O)c2ccc(-c3ccc(F)cc3)[nH]c2=O)c1 ZINC000072450954 203227045 /nfs/dbraw/zinc/22/70/45/203227045.db2.gz HVERTIKOGRBSRL-UHFFFAOYSA-N 0 0 336.366 4.050 10 0 EIAERN Cc1nn(C)cc1-c1ccnc(Nc2ccc(Cl)c(Cl)c2)n1 ZINC000072462149 203227973 /nfs/dbraw/zinc/22/79/73/203227973.db2.gz MVNNFOGLLJNGLG-UHFFFAOYSA-N 0 0 334.210 4.236 10 0 EIAERN NC(=S)N1N=C(c2cccc3ccccc32)C[C@H]1c1cccs1 ZINC000072414015 203219106 /nfs/dbraw/zinc/21/91/06/203219106.db2.gz NKRVQIMJVIAHCS-INIZCTEOSA-N 0 0 337.473 4.296 10 0 EIAERN COc1cc(CNc2ccc(Br)cc2F)cc(OC)c1 ZINC000019908068 212082058 /nfs/dbraw/zinc/08/20/58/212082058.db2.gz UCOWSWQYACTSFI-UHFFFAOYSA-N 0 0 340.192 4.218 10 0 EIAERN C[C@]12CC[C@H]3[C@@H](CCC4=C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@]21CC[C@H](O)O1 ZINC000077293653 203377893 /nfs/dbraw/zinc/37/78/93/203377893.db2.gz ZVNZJDMKEHMICK-IJKXCVAVSA-N 0 0 346.511 4.178 10 0 in-vitro EIAERN COc1ccc([C@@H](C)C(=O)NC2(c3nc(C)cs3)CCCC2)cc1 ZINC000078673719 203425836 /nfs/dbraw/zinc/42/58/36/203425836.db2.gz DMMSZPDVCKCSBR-CQSZACIVSA-N 0 0 344.480 4.149 10 0 EIAERN CCN1c2cc(OC)ccc2N=C(c2ccccc2Cl)CC1=O ZINC000100898358 204000385 /nfs/dbraw/zinc/00/03/85/204000385.db2.gz ADPBKKMQEADNRF-UHFFFAOYSA-N 0 0 328.799 4.226 10 0 EIAERN O=C(Cc1cc(Br)ccc1F)c1cc(F)ccc1F ZINC000104238102 204102427 /nfs/dbraw/zinc/10/24/27/204102427.db2.gz CUMRWXJQXRFHKZ-UHFFFAOYSA-N 0 0 329.115 4.292 10 0 EIAERN Fc1ccc(C(F)(F)F)cc1Nc1ncc(Br)cn1 ZINC000104383859 204107745 /nfs/dbraw/zinc/10/77/45/204107745.db2.gz YTYVGLBRYUYAAJ-UHFFFAOYSA-N 0 0 336.086 4.141 10 0 EIAERN CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]5C[C@@H]5[C@H](O)[C@]4(C)[C@H]3CC[C@]12C ZINC000118912680 204614793 /nfs/dbraw/zinc/61/47/93/204614793.db2.gz ITUMQEGPSUTXQQ-QEZGVGRTSA-N 0 0 346.511 4.178 10 0 EIAERN CCc1ccc(C(=O)Nc2cc(N)ccc2N2CCC(C)CC2)cc1 ZINC000226254367 205121180 /nfs/dbraw/zinc/12/11/80/205121180.db2.gz LAZOKAUHCVZTMP-UHFFFAOYSA-N 0 0 337.467 4.320 10 0 EIAERN CCc1ccc(C(=O)Nc2cc(N)ccc2N2CCCC[C@H]2C)cc1 ZINC000226254513 205121849 /nfs/dbraw/zinc/12/18/49/205121849.db2.gz UMTWIGSBBVPNCV-OAHLLOKOSA-N 0 0 337.467 4.462 10 0 EIAERN Nc1ccc(N2CCCCC2)c(NC(=O)c2cc3ccccc3o2)c1 ZINC000226254114 205122337 /nfs/dbraw/zinc/12/23/37/205122337.db2.gz ICPMTHUCDVJZJG-UHFFFAOYSA-N 0 0 335.407 4.258 10 0 EIAERN Cc1cc(N)c(NC(=O)c2cccc(Cl)c2)cc1N1CCCCC1 ZINC000226330259 205129554 /nfs/dbraw/zinc/12/95/54/205129554.db2.gz LQSCCGMRUWERIP-UHFFFAOYSA-N 0 0 343.858 4.473 10 0 EIAERN Nc1nc2c(cc(NC(=O)c3ccc(Cl)cc3)cc2Cl)s1 ZINC000226310382 205125797 /nfs/dbraw/zinc/12/57/97/205125797.db2.gz OHLWKPKONBIDAR-UHFFFAOYSA-N 0 0 338.219 4.438 10 0 EIAERN COc1ccc(-c2ccc(C(=O)Nc3ccccc3N)o2)cc1Cl ZINC000226348710 205129921 /nfs/dbraw/zinc/12/99/21/205129921.db2.gz PCIYCVWOBLEJKO-UHFFFAOYSA-N 0 0 342.782 4.443 10 0 EIAERN CCOc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c(N)c1 ZINC000226348105 205129989 /nfs/dbraw/zinc/12/99/89/205129989.db2.gz BTEMZQRNPBJRBP-UHFFFAOYSA-N 0 0 340.354 4.319 10 0 EIAERN COc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)c(N)c1 ZINC000226348066 205131099 /nfs/dbraw/zinc/13/10/99/205131099.db2.gz GTIKZJOMXUUDOM-UHFFFAOYSA-N 0 0 342.782 4.443 10 0 EIAERN CC(C)Oc1ccc(C(=O)Nc2ccc(N)cc2Br)cc1 ZINC000227157242 205174131 /nfs/dbraw/zinc/17/41/31/205174131.db2.gz UIOKZFRRCWNKTL-UHFFFAOYSA-N 0 0 349.228 4.071 10 0 EIAERN Cc1ccc(Nc2nc(N)nc(Nc3cccc(Cl)c3)n2)c(C)c1 ZINC000227149296 205174347 /nfs/dbraw/zinc/17/43/47/205174347.db2.gz MENAJWXNKJXUPQ-UHFFFAOYSA-N 0 0 340.818 4.211 10 0 EIAERN O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1ccc(Br)cc1F ZINC000006377251 206514443 /nfs/dbraw/zinc/51/44/43/206514443.db2.gz VANADYRAUXGSEG-AXFHLTTASA-N 0 0 326.209 4.353 10 0 EIAERN O=c1cc(-c2ccccc2)nc(NCc2cccc(C(F)(F)F)c2)[nH]1 ZINC000057341584 258003763 /nfs/dbraw/zinc/00/37/63/258003763.db2.gz MXHAHTCRZNQEHJ-UHFFFAOYSA-N 0 0 345.324 4.068 10 0 EIAERN CCOC(=O)[C@H](c1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 ZINC000057353610 521275096 /nfs/dbraw/zinc/27/50/96/521275096.db2.gz MJHYLHHVGUJNER-HNNXBMFYSA-N 0 0 342.782 4.085 10 0 EIAERN COc1ccc(-c2cn3cc(Cl)cc(Br)c3n2)cc1 ZINC000057353705 523144600 /nfs/dbraw/zinc/14/46/00/523144600.db2.gz KBVLIFGPYSBZRF-UHFFFAOYSA-N 0 0 337.604 4.426 10 0 EIAERN CC(=O)Nc1ccccc1-c1[nH]c(-c2ccccc2O)nc1Cl ZINC000216021452 534764451 /nfs/dbraw/zinc/76/44/51/534764451.db2.gz BZVWBUDCFBOAGV-UHFFFAOYSA-N 0 0 327.771 4.061 10 0 EIAERN COc1ccc(OC)c(/C=C/C(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000006372524 563566427 /nfs/dbraw/zinc/56/64/27/563566427.db2.gz WSJPPMJZINSVOA-KPKJPENVSA-N 0 0 325.408 4.479 10 0 EIAERN CN(Cc1ccco1)c1ncccc1-c1nnc(-c2ccccc2)o1 ZINC000065117702 563741629 /nfs/dbraw/zinc/74/16/29/563741629.db2.gz GLOTUQYLMIUAIM-UHFFFAOYSA-N 0 0 332.363 4.028 10 0 EIAERN C/C=C/c1cc2c(c(OC)c1)O[C@@H](c1ccc(OC)c(OC)c1)C2 ZINC000098214472 563982261 /nfs/dbraw/zinc/98/22/61/563982261.db2.gz SCHORXDNFAMMTM-FUTAKVPZSA-N 0 0 326.392 4.422 10 0 EIAERN CCn1cc(CN(C)C(=O)[C@H](c2ccccc2)C2CCCC2)c(C)n1 ZINC000252504552 564053561 /nfs/dbraw/zinc/05/35/61/564053561.db2.gz VKFAHYJQFMRLKH-HXUWFJFHSA-N 0 0 339.483 4.144 10 0 EIAERN Cc1nc(Oc2ccccc2)nc(C)c1NC(=O)c1ccc(F)cc1 ZINC000224340114 564089731 /nfs/dbraw/zinc/08/97/31/564089731.db2.gz XDVLCVQOVFTJGV-UHFFFAOYSA-N 0 0 337.354 4.277 10 0 EIAERN CCCOC(=O)c1cc(-n2cccc2)ccc1N1CCC(C)CC1 ZINC000226277528 564117290 /nfs/dbraw/zinc/11/72/90/564117290.db2.gz OCXZTVQCMQXNHY-UHFFFAOYSA-N 0 0 326.440 4.280 10 0 EIAERN CCCCCSc1nc2ccc(N3C(=O)C=CC3=O)cc2s1 ZINC000048523428 564129286 /nfs/dbraw/zinc/12/92/86/564129286.db2.gz PHGXDJGZQDZGMX-UHFFFAOYSA-N 0 0 332.450 4.008 10 0 EIAERN N=C1O[C@H](C(Cl)(Cl)Cl)N(c2ccc(Cl)cc2)C1=S ZINC000048547104 564129379 /nfs/dbraw/zinc/12/93/79/564129379.db2.gz WVNCRWHAPYOXPB-SECBINFHSA-N 0 0 344.050 4.178 10 0 EIAERN CC(C)CC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 ZINC000685961462 564177209 /nfs/dbraw/zinc/17/72/09/564177209.db2.gz IUJSHXRHBDEPHZ-MAUKXSAKSA-N 0 0 349.471 4.100 10 0 EIAERN CC[C@H](C)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 ZINC000685961997 564177232 /nfs/dbraw/zinc/17/72/32/564177232.db2.gz QWTAXGQEOINPFL-ZMSDIMECSA-N 0 0 349.471 4.100 10 0 EIAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3cccc(OC)c3)C2)cc1 ZINC000120792550 1032417164 /nfs/dbraw/zinc/41/71/64/1032417164.db2.gz WDYMUKOIGWWLCK-GDBMZVCRSA-N 0 0 340.423 4.114 10 0 EIAERN CC(C)(C)[C@H](NC(=O)N1CCC(n2ccnc2)CC1)c1cccs1 ZINC000103308038 1022684773 /nfs/dbraw/zinc/68/47/73/1022684773.db2.gz JLZYZSIDDKETGY-MRXNPFEDSA-N 0 0 346.500 4.079 10 0 EIAERN O=C(CSCCOc1ccccc1)N1CCC[C@@H]1c1cccs1 ZINC000078349900 1023619865 /nfs/dbraw/zinc/61/98/65/1023619865.db2.gz IICNPDXQZBISNF-MRXNPFEDSA-N 0 0 347.505 4.224 10 0 EIAERN CC(=O)Nc1ccc(NC(=O)N2CC[C@@H](C)C[C@@H](C)C2)c(Cl)c1 ZINC000121428300 1025220615 /nfs/dbraw/zinc/22/06/15/1025220615.db2.gz NHJYKGQSYBAQDE-VXGBXAGGSA-N 0 0 337.851 4.198 10 0 EIAERN C[C@@H](CC1CC1)NC(=O)N(C)CCCc1cc(-c2ccccc2)no1 ZINC000112722225 1026705254 /nfs/dbraw/zinc/70/52/54/1026705254.db2.gz PCFTXQNHJRGCNJ-HNNXBMFYSA-N 0 0 341.455 4.104 10 0 EIAERN CSc1ccccc1NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000114805310 1029615330 /nfs/dbraw/zinc/61/53/30/1029615330.db2.gz QDCSUKNCFOSXST-GFCCVEGCSA-N 0 0 333.482 4.277 10 0 EIAERN CC(C)Oc1ccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000114809719 1029620854 /nfs/dbraw/zinc/62/08/54/1029620854.db2.gz KJGPOYMPDHYHQA-CQSZACIVSA-N 0 0 345.468 4.342 10 0 EIAERN O=Cc1ccc(C(=O)NC(c2cccs2)c2cccs2)cc1 ZINC000121378086 1030027783 /nfs/dbraw/zinc/02/77/83/1030027783.db2.gz ZHIBYVOKAJVQNX-UHFFFAOYSA-N 0 0 327.430 4.142 10 0 EIAERN Cc1ccc(C)c(CN[C@@H](c2ncon2)c2ccc(Cl)cc2)c1 ZINC000122598921 1030865233 /nfs/dbraw/zinc/86/52/33/1030865233.db2.gz GRUPZBOWHUCKRX-QGZVFWFLSA-N 0 0 327.815 4.219 10 0 EIAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000117649454 1031170389 /nfs/dbraw/zinc/17/03/89/1031170389.db2.gz KNDOCLKLKPXFAF-PSLIRLAXSA-N 0 0 339.288 4.348 10 0 EIAERN O=C(Nc1cccc(-c2ncon2)c1)c1cccc(C(F)(F)F)c1 ZINC000101526428 1031254825 /nfs/dbraw/zinc/25/48/25/1031254825.db2.gz SUZXZONGGDXMJL-UHFFFAOYSA-N 0 0 333.269 4.008 10 0 EIAERN O=C([C@H]1C[C@@H]1c1ccc(F)cc1F)N1CC=C(c2cccs2)CC1 ZINC000117719130 1031396662 /nfs/dbraw/zinc/39/66/62/1031396662.db2.gz FAVOYRVHHUGMHS-CVEARBPZSA-N 0 0 345.414 4.446 10 0 EIAERN Cc1c2cccc(Cl)c2oc1C(=O)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000121486141 1031439064 /nfs/dbraw/zinc/43/90/64/1031439064.db2.gz HLMSIPPXJFUYOU-IUODEOHRSA-N 0 0 333.815 4.036 10 0 EIAERN COc1ccc(NC(=O)N2CC=C(c3ccccc3F)CC2)c(C)c1 ZINC000123358425 1031460037 /nfs/dbraw/zinc/46/00/37/1031460037.db2.gz OGKAKHXSMAITRO-UHFFFAOYSA-N 0 0 340.398 4.464 10 0 EIAERN Fc1ccccc1C1=CCN(Cc2nnc(-c3ccccc3)o2)CC1 ZINC000127657788 1031704656 /nfs/dbraw/zinc/70/46/56/1031704656.db2.gz KVLHNRHMDYHQER-UHFFFAOYSA-N 0 0 335.382 4.165 10 0 EIAERN Cc1ccccc1[C@H]1C[C@H]1C(=O)N1CCc2c3ccccc3[nH]c2C1 ZINC000089915531 1039138395 /nfs/dbraw/zinc/13/83/95/1039138395.db2.gz VZKGJKQHVZLEGI-RTBURBONSA-N 0 0 330.431 4.165 10 0 EIAERN O=C(C[C@@H](O)c1ccccc1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000091443628 1039370425 /nfs/dbraw/zinc/37/04/25/1039370425.db2.gz QTULSQJEMPYZEH-NHCUHLMSSA-N 0 0 348.446 4.345 10 0 EIAERN C[C@H]1CC(Nc2cccc(-c3nnc4n3CCCCC4)c2)C[C@H](C)O1 ZINC000092143480 1039480075 /nfs/dbraw/zinc/48/00/75/1039480075.db2.gz KXLJBBKKZGMOTR-GJZGRUSLSA-N 0 0 340.471 4.039 10 0 EIAERN Cc1ccc([C@H]2CN(Cc3cccn3Cc3cccs3)CCO2)o1 ZINC000093864616 1039764569 /nfs/dbraw/zinc/76/45/69/1039764569.db2.gz ZKSDAKBSXSNZEZ-LJQANCHMSA-N 0 0 342.464 4.073 10 0 EIAERN O=C(C[C@@H]1C=CCC1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113219098 1043288150 /nfs/dbraw/zinc/28/81/50/1043288150.db2.gz UHSDLFUMKVMPBF-SJLPKXTDSA-N 0 0 335.451 4.139 10 0 EIAERN O=C(c1ccc(F)cc1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113219150 1043296047 /nfs/dbraw/zinc/29/60/47/1043296047.db2.gz LSKQJBFJJNGMNQ-KRWDZBQOSA-N 0 0 349.409 4.236 10 0 EIAERN CC(C)(CC(=O)N1CCC[C@@H](c2nccs2)C1)c1ccccc1 ZINC000067047427 1045735497 /nfs/dbraw/zinc/73/54/97/1045735497.db2.gz ATEOQRXLAISSET-OAHLLOKOSA-N 0 0 328.481 4.217 10 0 EIAERN CC[C@@H](CC(=O)N1CCC[C@H](c2nccs2)C1)c1ccccc1 ZINC000067046327 1045736820 /nfs/dbraw/zinc/73/68/20/1045736820.db2.gz SEQYMGWDDHVLEY-RDJZCZTQSA-N 0 0 328.481 4.433 10 0 EIAERN Cc1csc([C@H](C)NC(=O)N2CC=C(c3ccccc3)CC2)n1 ZINC000069328051 1045759966 /nfs/dbraw/zinc/75/99/66/1045759966.db2.gz HLUVZDVMUGQKED-AWEZNQCLSA-N 0 0 327.453 4.011 10 0 EIAERN COCCN(Cc1ccco1)Cc1ncc(-c2ccccc2Cl)o1 ZINC000075624567 1045837765 /nfs/dbraw/zinc/83/77/65/1045837765.db2.gz RTDYLVQUZIGJJS-UHFFFAOYSA-N 0 0 346.814 4.237 10 0 EIAERN Cc1csc(C2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3C)CC2)n1 ZINC000076987232 1045925186 /nfs/dbraw/zinc/92/51/86/1045925186.db2.gz LBTJUULTICORGO-MSOLQXFVSA-N 0 0 340.492 4.270 10 0 EIAERN Cc1cccc([C@@H]2CCCCCN2C(=O)[C@H]2CCCn3ccnc32)c1 ZINC000081759748 1047159806 /nfs/dbraw/zinc/15/98/06/1047159806.db2.gz AQGIIADGZMUYKK-OALUTQOASA-N 0 0 337.467 4.213 10 0 EIAERN Cc1ccc([S@@](=O)Cc2ncc(-c3ccccc3Cl)o2)nc1 ZINC000083079759 1047811131 /nfs/dbraw/zinc/81/11/31/1047811131.db2.gz ULLBAGKJBPQDFO-JOCHJYFZSA-N 0 0 332.812 4.006 10 0 EIAERN O=C(C[C@@H](c1c[nH]c2ccccc21)c1ccc(F)cc1F)NC1CC1 ZINC000006834826 201701127 /nfs/dbraw/zinc/70/11/27/201701127.db2.gz HKKPXCHARLQDHU-MRXNPFEDSA-N 0 0 340.373 4.247 10 0 EIAERN O[C@@H](Cc1ccc(Br)s1)c1ccc2ncccc2c1 ZINC000062801917 214731982 /nfs/dbraw/zinc/73/19/82/214731982.db2.gz HJBVXLQGLODFMZ-AWEZNQCLSA-N 0 0 334.238 4.335 10 0 EIAERN CN[C@H](c1ccccc1Br)c1cc(Cl)ccc1OC ZINC000055226941 214292891 /nfs/dbraw/zinc/29/28/91/214292891.db2.gz PULNQWDUBLWPSP-OAHLLOKOSA-N 0 0 340.648 4.420 10 0 EIAERN CC(C)c1ccccc1OCCCn1c(CCO)nc2ccccc21 ZINC000008786150 201762235 /nfs/dbraw/zinc/76/22/35/201762235.db2.gz AGTOEKXFWNRIML-UHFFFAOYSA-N 0 0 338.451 4.164 10 0 EIAERN C[C@H]1CCCC[C@@H]1Nc1cc2c(cc1Br)OCCO2 ZINC000036954671 201834224 /nfs/dbraw/zinc/83/42/24/201834224.db2.gz NUIKVOUBVPMHJR-JQWIXIFHSA-N 0 0 326.234 4.211 10 0 EIAERN COc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 ZINC000003815183 210076938 /nfs/dbraw/zinc/07/69/38/210076938.db2.gz LDTMDWOXHYGMAM-UHFFFAOYSA-N 0 0 330.185 4.145 10 0 EIAERN CCc1cccc(Nc2c3[nH]cccc-3c(=O)n2Cc2ccco2)c1 ZINC000015822062 201964900 /nfs/dbraw/zinc/96/49/00/201964900.db2.gz ZLOHVRKVCQVIJO-IBGZPJMESA-N 0 0 333.391 4.004 10 0 EIAERN Nc1nc2c(cccc2F)n1-c1cc(Br)ccc1Cl ZINC000104166676 219354750 /nfs/dbraw/zinc/35/47/50/219354750.db2.gz QPGIPAMYJKEVMN-UHFFFAOYSA-N 0 0 340.583 4.163 10 0 EIAERN Cl/C(=C\c1ccccc1)CN1CCN(Cc2ccccc2)CC1 ZINC000019633680 202014830 /nfs/dbraw/zinc/01/48/30/202014830.db2.gz HOUDRLFYDSKMCK-HKWRFOASSA-N 0 0 326.871 4.084 10 0 EIAERN COc1cccc(CON2C(=O)CS[C@@H]2c2ccc(Cl)cc2)c1 ZINC000038149950 213203365 /nfs/dbraw/zinc/20/33/65/213203365.db2.gz PAAWKESIUZNRHE-QGZVFWFLSA-N 0 0 349.839 4.054 10 0 EIAERN CCc1sc2[nH]c(C(C)C)nc(=O)c2c1-c1cccc(OC)c1 ZINC000020345817 202039464 /nfs/dbraw/zinc/03/94/64/202039464.db2.gz MFHBJZJRFNGUGH-UHFFFAOYSA-N 0 0 328.437 4.346 10 0 EIAERN CCCOc1c(Cl)cc(Cl)cc1CNCc1ccccn1 ZINC000020930360 202058710 /nfs/dbraw/zinc/05/87/10/202058710.db2.gz FEPFXEGQQUBYBV-UHFFFAOYSA-N 0 0 325.239 4.467 10 0 EIAERN CN[C@H](c1ccc(Br)s1)c1c(F)cc(OC)cc1F ZINC000037903425 202061236 /nfs/dbraw/zinc/06/12/36/202061236.db2.gz SHPWVAJKBOXFQP-CYBMUJFWSA-N 0 0 348.212 4.106 10 0 EIAERN CCN1C(=O)c2ccc(-c3nc4cc(C(C)(C)C)ccc4o3)cc2C1=O ZINC000021127643 202061733 /nfs/dbraw/zinc/06/17/33/202061733.db2.gz ZFPWPFAWTWGEPH-UHFFFAOYSA-N 0 0 348.402 4.408 10 0 EIAERN Cc1cc(Cl)cc2c3c([nH]c21)CC[C@H](NC(=O)C[C@@H]1C=CCC1)C3 ZINC000022336948 202083676 /nfs/dbraw/zinc/08/36/76/202083676.db2.gz SXJARINCQACJNL-HIFRSBDPSA-N 0 0 342.870 4.460 10 0 EIAERN CSCCCNC(=O)c1ccc(-c2ccc(F)c(F)c2)s1 ZINC000022342030 202084252 /nfs/dbraw/zinc/08/42/52/202084252.db2.gz JYXQWIYYUVKAIC-UHFFFAOYSA-N 0 0 327.421 4.176 10 0 EIAERN Nc1ccc(-c2nccn2Cc2ccc(F)cc2Br)cc1 ZINC000037974158 202071506 /nfs/dbraw/zinc/07/15/06/202071506.db2.gz JURJWIHSHBGSBT-UHFFFAOYSA-N 0 0 346.203 4.082 10 0 EIAERN C[C@]12C[C@H](CC(C)(C)C1)N(C(=O)c1cc(Cl)nc(Cl)c1)C2 ZINC000037980560 202076235 /nfs/dbraw/zinc/07/62/35/202076235.db2.gz XQKSWSUJAWEZJI-ZBEGNZNMSA-N 0 0 327.255 4.429 10 0 EIAERN C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)c1cnc(Cl)c(Cl)c1 ZINC000037980225 202076527 /nfs/dbraw/zinc/07/65/27/202076527.db2.gz ILTYXWMFIKJQBQ-ZETCQYMHSA-N 0 0 341.160 4.191 10 0 EIAERN O=C(c1ccc(F)cc1)N(Cc1ccccc1Br)C1CC1 ZINC000037983672 202077497 /nfs/dbraw/zinc/07/74/97/202077497.db2.gz HDPLBVPTWBKQKP-UHFFFAOYSA-N 0 0 348.215 4.393 10 0 EIAERN O=C(Nc1nc2ccc(F)cc2s1)c1ccc(-n2cccc2)cc1 ZINC000024761677 202120068 /nfs/dbraw/zinc/12/00/68/202120068.db2.gz XODRXRKPTULNJC-UHFFFAOYSA-N 0 0 337.379 4.478 10 0 EIAERN CC(=O)c1cccc(NC(=O)C=Cc2ccccc2Br)c1 ZINC000027467964 202154906 /nfs/dbraw/zinc/15/49/06/202154906.db2.gz BXVPICBGJYDAQN-MDZDMXLPSA-N 0 0 344.208 4.304 10 0 EIAERN CCC(CC)(NC(=O)c1cccc(OC)c1C)C(=O)c1ccccc1 ZINC000027548139 202155866 /nfs/dbraw/zinc/15/58/66/202155866.db2.gz OQFZLHITFBMUIW-UHFFFAOYSA-N 0 0 339.435 4.175 10 0 EIAERN CCc1ccccc1NC(=O)Cn1c(=O)cc(C)c2cc(C)cc(C)c21 ZINC000032530775 202226624 /nfs/dbraw/zinc/22/66/24/202226624.db2.gz CGAKDPCWBUIMOU-UHFFFAOYSA-N 0 0 348.446 4.128 10 0 EIAERN CC(C)n1cc(C(=O)Nc2ccccc2)c(=O)c2cc(Cl)ccc21 ZINC000032607931 202228320 /nfs/dbraw/zinc/22/83/20/202228320.db2.gz FLIVCLFGTMGPPV-UHFFFAOYSA-N 0 0 340.810 4.488 10 0 EIAERN CC(C)NC(=O)c1cccc(Nc2cc(-c3ccccc3)ncn2)c1 ZINC000033261090 202253769 /nfs/dbraw/zinc/25/37/69/202253769.db2.gz SCIJXAPHEKWHQG-UHFFFAOYSA-N 0 0 332.407 4.025 10 0 EIAERN COc1ccc(C)cc1NC(=O)/C=C\c1ccc(Br)cc1 ZINC000033317271 202257545 /nfs/dbraw/zinc/25/75/45/202257545.db2.gz AHBYYAHHGRTMGB-POHAHGRESA-N 0 0 346.224 4.418 10 0 EIAERN C[C@H](NC(=O)/C=C\c1ccc(Br)cc1)c1ccccc1 ZINC000033456458 202261861 /nfs/dbraw/zinc/26/18/61/202261861.db2.gz NSKLYDSDBJZOBQ-SUIFULHWSA-N 0 0 330.225 4.340 10 0 EIAERN CCCn1c2ccccc2nc1[C@@H](O)c1ccc(N(CC)CC)cc1 ZINC000033755114 202269300 /nfs/dbraw/zinc/26/93/00/202269300.db2.gz ZZLAJGOVKIFDNM-FQEVSTJZSA-N 0 0 337.467 4.374 10 0 EIAERN O=C(/C=C\c1ccccc1F)Nc1nnc(-c2cccs2)s1 ZINC000034690614 202275275 /nfs/dbraw/zinc/27/52/75/202275275.db2.gz JYAYSTFSCPGFGQ-FPLPWBNLSA-N 0 0 331.397 4.058 10 0 EIAERN Cc1ccccc1[C@H]1CCc2nc(C(=O)Nc3ccc(F)cc3)cn2C1 ZINC000034898577 202279824 /nfs/dbraw/zinc/27/98/24/202279824.db2.gz YBQQYOWKHBRZGQ-HNNXBMFYSA-N 0 0 349.409 4.313 10 0 EIAERN O=C(/C=C\c1cccc2ccccc12)NC(=S)Nc1ccccc1O ZINC000034941649 202282541 /nfs/dbraw/zinc/28/25/41/202282541.db2.gz JEUZTUAJWYRKQF-SEYXRHQNSA-N 0 0 348.427 4.072 10 0 EIAERN O=C(Cc1ccc2ccccc2n1)c1ccccc1Br ZINC000034940366 202282725 /nfs/dbraw/zinc/28/27/25/202282725.db2.gz GKRRDMZCCFAWRN-UHFFFAOYSA-N 0 0 326.193 4.423 10 0 EIAERN CCc1nc(-c2cc(NC(=O)c3sccc3C)c(C)s2)no1 ZINC000035554738 202307029 /nfs/dbraw/zinc/30/70/29/202307029.db2.gz TUTHMVXMKALBSY-UHFFFAOYSA-N 0 0 333.438 4.291 10 0 EIAERN C[C@@H](O)c1ccccc1Oc1ccc(I)cc1 ZINC000035650740 202308236 /nfs/dbraw/zinc/30/82/36/202308236.db2.gz SKCDYBNEDYLOSB-SNVBAGLBSA-N 0 0 340.160 4.137 10 0 EIAERN C[C@H](O)c1ccccc1Oc1ccccc1I ZINC000035650765 202308372 /nfs/dbraw/zinc/30/83/72/202308372.db2.gz IWJHPFXTMHEGEB-JTQLQIEISA-N 0 0 340.160 4.137 10 0 EIAERN Cc1cc(Cl)ccc1C(=O)Nc1ccc2sc(CO)nc2c1 ZINC000035824720 202310271 /nfs/dbraw/zinc/31/02/71/202310271.db2.gz XSOSEDMJHAZSKC-UHFFFAOYSA-N 0 0 332.812 4.003 10 0 EIAERN CC(C)CNC(=O)c1csc(COc2cccc3ccccc32)n1 ZINC000036084727 202314309 /nfs/dbraw/zinc/31/43/09/202314309.db2.gz GZUDLRPGDYAVBX-UHFFFAOYSA-N 0 0 340.448 4.261 10 0 EIAERN O=C(c1c[nH]c2ncccc12)c1cc(Br)ccc1Cl ZINC000037287682 202339315 /nfs/dbraw/zinc/33/93/15/202339315.db2.gz HGTQXYMFZZBARX-UHFFFAOYSA-N 0 0 335.588 4.210 10 0 EIAERN CN(C(=O)c1cc(Br)ccc1Cl)c1ccc(O)cc1 ZINC000037251054 202338065 /nfs/dbraw/zinc/33/80/65/202338065.db2.gz OHRUPTQBGSZQJV-UHFFFAOYSA-N 0 0 340.604 4.085 10 0 EIAERN Cc1c(C(=O)Oc2ccc(C)cc2)nnn1-c1cccc(Cl)c1C ZINC000036639101 202327938 /nfs/dbraw/zinc/32/79/38/202327938.db2.gz RPCSDFFFBIDDDN-UHFFFAOYSA-N 0 0 341.798 4.065 10 0 EIAERN Cc1c(C(=O)Oc2ccccc2C)nnn1-c1cc(Cl)ccc1C ZINC000036639113 202328466 /nfs/dbraw/zinc/32/84/66/202328466.db2.gz JZTXKMCDMMNHEV-UHFFFAOYSA-N 0 0 341.798 4.065 10 0 EIAERN CCOC(=O)c1cnc2c(C)ccc(Br)c2c1Cl ZINC000037368596 202339925 /nfs/dbraw/zinc/33/99/25/202339925.db2.gz USJCVDKUEBMPHX-UHFFFAOYSA-N 0 0 328.593 4.136 10 0 EIAERN O[C@@H](Cc1ccc(Br)cc1)Cc1cccc(Cl)c1 ZINC000037532500 202345758 /nfs/dbraw/zinc/34/57/58/202345758.db2.gz HUQQAVOSHSMWPR-HNNXBMFYSA-N 0 0 325.633 4.249 10 0 EIAERN CCCCCC[C@](C)(Nc1ccccc1Br)C(N)=O ZINC000037943970 202379961 /nfs/dbraw/zinc/37/99/61/202379961.db2.gz DMJWMZVPWWNWGB-HNNXBMFYSA-N 0 0 327.266 4.075 10 0 EIAERN Cc1ncsc1[C@H](C)NCc1cc(F)ccc1Br ZINC000038039184 202388959 /nfs/dbraw/zinc/38/89/59/202388959.db2.gz XIPPRLCNDFYYQH-QMMMGPOBSA-N 0 0 329.238 4.204 10 0 EIAERN C/C=C/C(=O)NCCCCCc1nc2ccccc2n1CCCC ZINC000040219404 202429795 /nfs/dbraw/zinc/42/97/95/202429795.db2.gz VMUSOBSNELOIPW-NYYWCZLTSA-N 0 0 327.472 4.242 10 0 EIAERN OCCCn1c2ccc(C(F)(F)F)cc2nc1Cc1ccccc1 ZINC000040402170 202437667 /nfs/dbraw/zinc/43/76/67/202437667.db2.gz BMHHMRAMHHNLAL-UHFFFAOYSA-N 0 0 334.341 4.028 10 0 EIAERN COCCn1c(COc2ccccc2C)nc2ccc(Cl)cc21 ZINC000040404754 202438211 /nfs/dbraw/zinc/43/82/11/202438211.db2.gz ZDPINDWUMSSADA-UHFFFAOYSA-N 0 0 330.815 4.224 10 0 EIAERN Nc1c(Nc2ccccc2Cl)ncnc1N1CCc2ccccc21 ZINC000040687364 202459104 /nfs/dbraw/zinc/45/91/04/202459104.db2.gz MXAUVNLTMYNMNV-UHFFFAOYSA-N 0 0 337.814 4.150 10 0 EIAERN Cc1ccnc(Nc2ncnc(Nc3ccc(F)c(Cl)c3)c2N)c1 ZINC000040701417 202459983 /nfs/dbraw/zinc/45/99/83/202459983.db2.gz AXCBIUVDWDNYRS-UHFFFAOYSA-N 0 0 344.781 4.042 10 0 EIAERN CN(c1ccccc1)c1ncnc(Nc2ccc(F)c(Cl)c2)c1N ZINC000040757862 202462913 /nfs/dbraw/zinc/46/29/13/202462913.db2.gz QMJAMRGIRPGFLG-UHFFFAOYSA-N 0 0 343.793 4.363 10 0 EIAERN COc1ccccc1Oc1ncnc(Nc2ccc(C)cc2C)c1N ZINC000040755592 202463148 /nfs/dbraw/zinc/46/31/48/202463148.db2.gz RZSJPOFGCFTYIV-UHFFFAOYSA-N 0 0 336.395 4.220 10 0 EIAERN Nc1c(NCc2ccc(Cl)cc2)ncnc1Oc1ccccc1 ZINC000040784045 202464236 /nfs/dbraw/zinc/46/42/36/202464236.db2.gz MKGLVTRVDIIASS-UHFFFAOYSA-N 0 0 326.787 4.117 10 0 EIAERN Nc1c(Nc2ccc(F)cc2)ncnc1Nc1cccc2ncccc21 ZINC000040782492 202464549 /nfs/dbraw/zinc/46/45/49/202464549.db2.gz FKOQRTMXVJIIKC-UHFFFAOYSA-N 0 0 346.369 4.233 10 0 EIAERN Nc1c(Nc2ccc(C(F)(F)F)cc2)ncnc1Oc1cccnc1 ZINC000040798266 202464579 /nfs/dbraw/zinc/46/45/79/202464579.db2.gz KMBKJPHOSRLDMB-UHFFFAOYSA-N 0 0 347.300 4.009 10 0 EIAERN CCCOc1ccc2nc(NC(=O)c3cccc(OC)c3)sc2c1 ZINC000040978531 202469602 /nfs/dbraw/zinc/46/96/02/202469602.db2.gz UNJVTIPPURNUIX-UHFFFAOYSA-N 0 0 342.420 4.346 10 0 EIAERN CCOC(=O)c1sc(Br)nc1-c1ccc(C)cc1 ZINC000032500069 201071851 /nfs/dbraw/zinc/07/18/51/201071851.db2.gz DOAXPSISZCEGDA-UHFFFAOYSA-N 0 0 326.215 4.058 10 0 EIAERN C[C@@H](NC(=O)c1cc(-c2cccnc2)on1)c1ccc(F)c(Cl)c1 ZINC000055743545 201135442 /nfs/dbraw/zinc/13/54/42/201135442.db2.gz CVMOAFXXMRBQOQ-SNVBAGLBSA-N 0 0 345.761 4.020 10 0 EIAERN Oc1ccc2c(c1)OCCC[C@@H]2[C@@H]1CCCOc2cc(O)ccc21 ZINC000090714507 201373133 /nfs/dbraw/zinc/37/31/33/201373133.db2.gz TUSRTNHFUXXQIR-IYBDPMFKSA-N 0 0 326.392 4.310 10 0 EIAERN COc1ccc2ccccc2c1/C=C1/N=C(c2ccccc2)OC1=O ZINC000000178358 201357358 /nfs/dbraw/zinc/35/73/58/201357358.db2.gz VIJONODJHDRQQT-QGOAFFKASA-N 0 0 329.355 4.193 10 0 EIAERN CCCCn1c(SCC(=O)c2ccccc2)nnc1-c1ccco1 ZINC000004882019 201360337 /nfs/dbraw/zinc/36/03/37/201360337.db2.gz IHJYWMJQRIWSIB-UHFFFAOYSA-N 0 0 341.436 4.313 10 0 EIAERN COc1cc2ccnc(C(=O)c3ccc(Cl)cc3)c2cc1OC ZINC000026665231 201386503 /nfs/dbraw/zinc/38/65/03/201386503.db2.gz REPOQYYSTOSIEX-UHFFFAOYSA-N 0 0 327.767 4.136 10 0 EIAERN C[C@H](Nc1ncc(Br)cc1N)c1ccc(Cl)cc1 ZINC000049525026 202624836 /nfs/dbraw/zinc/62/48/36/202624836.db2.gz MDOZUELUOZDFCK-QMMMGPOBSA-N 0 0 326.625 4.253 10 0 EIAERN CC(C)CCOCCOc1c(N)cc(Cl)cc1Br ZINC000049264705 202620140 /nfs/dbraw/zinc/62/01/40/202620140.db2.gz SEGNALHTECHSHP-UHFFFAOYSA-N 0 0 336.657 4.126 10 0 EIAERN O=C(N[C@@H]1CCCC[C@H]1C(F)(F)F)c1nc(Cl)ccc1Cl ZINC000022763084 212321715 /nfs/dbraw/zinc/32/17/15/212321715.db2.gz AWEYIQHYEQZWLS-VXNVDRBHSA-N 0 0 341.160 4.239 10 0 EIAERN COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1N ZINC000196189734 241034666 /nfs/dbraw/zinc/03/46/66/241034666.db2.gz IHCWYTGZFWVHPD-UHFFFAOYSA-N 0 0 344.720 4.202 10 0 EIAERN O=C(Nc1ccc(F)cc1)c1cccc(Oc2cccc(F)c2)n1 ZINC000211681347 241083531 /nfs/dbraw/zinc/08/35/31/241083531.db2.gz KNUKEAAFJNUVOC-UHFFFAOYSA-N 0 0 326.302 4.404 10 0 EIAERN CC(C)(C)[C@@H](/C=C/c1ccc(Cl)cc1Cl)NC(=O)C(C)(C)O ZINC000000236614 201451968 /nfs/dbraw/zinc/45/19/68/201451968.db2.gz XPSFERPNOCJYMO-RCQQVGEISA-N 0 0 344.282 4.308 10 0 EIAERN Cc1c(C(=O)N2CCC(C)CC2)sc2nc(-c3ccccc3)cn12 ZINC000000429794 201472398 /nfs/dbraw/zinc/47/23/98/201472398.db2.gz SIEILJIFVAOULQ-UHFFFAOYSA-N 0 0 339.464 4.243 10 0 EIAERN COC(=O)[C@H](C)CCC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 ZINC000021987975 212268504 /nfs/dbraw/zinc/26/85/04/212268504.db2.gz IVNBWLOUAJYGFJ-MPBGBICISA-N 0 0 334.456 4.381 10 0 EIAERN O=C(Nc1ccc(F)cc1)Nc1cnc(Oc2ccccc2F)nc1 ZINC000224290160 241746006 /nfs/dbraw/zinc/74/60/06/241746006.db2.gz XLGMGFCAOJRBNA-UHFFFAOYSA-N 0 0 342.305 4.191 10 0 EIAERN NC(=O)c1ccc(Oc2ccc(F)cc2Br)cc1Cl ZINC000061845610 202790716 /nfs/dbraw/zinc/79/07/16/202790716.db2.gz JUPHIYLXNHDJBG-UHFFFAOYSA-N 0 0 344.567 4.133 10 0 EIAERN CCOc1cccc2cc3c(=O)n(-c4ccc(Cl)cc4)nc-3oc21 ZINC000005031444 201634920 /nfs/dbraw/zinc/63/49/20/201634920.db2.gz LVUIVDJXOHPJQK-UHFFFAOYSA-N 0 0 340.766 4.136 10 0 EIAERN CCCC[C@@H](CC)CNC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 ZINC000005707932 201660618 /nfs/dbraw/zinc/66/06/18/201660618.db2.gz BVYTYRKYYYWIRR-AUECHBEKSA-N 0 0 349.471 4.058 10 0 EIAERN Cc1ccc(OCC(=O)Nc2nc3c(cccc3F)s2)c(C)c1 ZINC000065004874 202822440 /nfs/dbraw/zinc/82/24/40/202822440.db2.gz QOPZTOUSLXRBPJ-UHFFFAOYSA-N 0 0 330.384 4.070 10 0 EIAERN O=C(COc1ccccc1Cl)Nc1nc2c(cccc2F)s1 ZINC000065004847 202822906 /nfs/dbraw/zinc/82/29/06/202822906.db2.gz ZOOHQLAHIBGACX-UHFFFAOYSA-N 0 0 336.775 4.106 10 0 EIAERN COc1ccc(COc2ccc(Cl)cc2Br)cc1N ZINC000020544626 212146194 /nfs/dbraw/zinc/14/61/94/212146194.db2.gz IZWKZMQAUJESEY-UHFFFAOYSA-N 0 0 342.620 4.272 10 0 EIAERN CCCCC[C@H](C)NS(=O)(=O)c1ccc(C)cc1Br ZINC000070140788 203073490 /nfs/dbraw/zinc/07/34/90/203073490.db2.gz BTYQCIHOXGPRSS-LBPRGKRZSA-N 0 0 348.306 4.005 10 0 EIAERN Cc1cc(C)cc(COc2ccc(I)cc2)c1 ZINC000070136168 203074628 /nfs/dbraw/zinc/07/46/28/203074628.db2.gz QDFZFBQLUIQHPW-UHFFFAOYSA-N 0 0 338.188 4.487 10 0 EIAERN FC(F)(F)c1c(Br)cnn1Cc1cccc(Cl)c1 ZINC000071193898 203087442 /nfs/dbraw/zinc/08/74/42/203087442.db2.gz ZGLPTKJTUACMCO-UHFFFAOYSA-N 0 0 339.542 4.366 10 0 EIAERN CNc1ccc(Br)cc1C(=O)N1c2ccccc2C[C@@H]1C ZINC000255187281 244046887 /nfs/dbraw/zinc/04/68/87/244046887.db2.gz CLYGVQHWMMVPOT-NSHDSACASA-N 0 0 345.240 4.082 10 0 EIAERN CCc1ccccc1NC(=O)c1ccc(-c2ccc(C)cc2)[nH]c1=O ZINC000072451027 203226550 /nfs/dbraw/zinc/22/65/50/203226550.db2.gz PJVMASHUFSOUNX-UHFFFAOYSA-N 0 0 332.403 4.165 10 0 EIAERN Cc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]2)cc1 ZINC000072451037 203227472 /nfs/dbraw/zinc/22/74/72/203227472.db2.gz TUGZGBJMBLKQCR-UHFFFAOYSA-N 0 0 338.794 4.256 10 0 EIAERN Cc1cccc(C(=O)Nc2c(C)cc(Br)cc2C)c1N ZINC000020030742 212095790 /nfs/dbraw/zinc/09/57/90/212095790.db2.gz FKSNJTIUYUBZHQ-UHFFFAOYSA-N 0 0 333.229 4.209 10 0 EIAERN CCc1nc(-c2cc(NC(=O)c3ccc(C)s3)c(C)s2)no1 ZINC000075351548 203312558 /nfs/dbraw/zinc/31/25/58/203312558.db2.gz VALZPEBEWIANAL-UHFFFAOYSA-N 0 0 333.438 4.291 10 0 EIAERN Cc1ccc(C(=O)NCc2c[nH]nc2-c2ccc(Cl)cc2)s1 ZINC000075344386 203312588 /nfs/dbraw/zinc/31/25/88/203312588.db2.gz JOVWCGUEBLKGMH-UHFFFAOYSA-N 0 0 331.828 4.030 10 0 EIAERN Fc1cc(Br)ccc1NCc1cnn(-c2ccccc2)c1 ZINC000019907972 212081867 /nfs/dbraw/zinc/08/18/67/212081867.db2.gz XDDZDLALXPZDEO-UHFFFAOYSA-N 0 0 346.203 4.386 10 0 EIAERN C[C@@H](OC[C@H]1CCCCN1C(=O)OC(C)(C)C)c1nccs1 ZINC000095089356 203712203 /nfs/dbraw/zinc/71/22/03/203712203.db2.gz PKIJQMWPZSCRPS-CHWSQXEVSA-N 0 0 326.462 4.010 10 0 EIAERN CC(C)(C)Oc1c(I)cccc1OC1CC1 ZINC000095726325 203766783 /nfs/dbraw/zinc/76/67/83/203766783.db2.gz NADVHBYAIBBAKH-UHFFFAOYSA-N 0 0 332.181 4.010 10 0 EIAERN COc1cc2c(ccc(OC)c2Br)cc1Br ZINC000098177606 203987527 /nfs/dbraw/zinc/98/75/27/203987527.db2.gz XORPVTGZIABOGW-UHFFFAOYSA-N 0 0 346.018 4.382 10 0 EIAERN Clc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1 ZINC000103916835 204088688 /nfs/dbraw/zinc/08/86/88/204088688.db2.gz CLMLQFDBIWHEKI-UHFFFAOYSA-N 0 0 334.604 4.350 10 0 EIAERN CC[C@H](C)N(CCc1nc(-c2ccccc2)no1)C(=O)CC(C)(C)C ZINC000102846881 204052432 /nfs/dbraw/zinc/05/24/32/204052432.db2.gz DRRHHENPRAKPJZ-HNNXBMFYSA-N 0 0 343.471 4.342 10 0 EIAERN CCCC[C@@H](O)c1cc(OCC)c(OCC)cc1Br ZINC000041661933 204053565 /nfs/dbraw/zinc/05/35/65/204053565.db2.gz XAJMCARQPTVRGL-CYBMUJFWSA-N 0 0 331.250 4.470 10 0 EIAERN CCCCC[C@@H](Nc1ccccc1Br)C(=O)OCC ZINC000104174499 204098864 /nfs/dbraw/zinc/09/88/64/204098864.db2.gz QVKXDRHVKPXQKR-CQSZACIVSA-N 0 0 328.250 4.373 10 0 EIAERN Cc1cc(C=O)ccc1Oc1cccc(I)c1 ZINC000104181886 204099864 /nfs/dbraw/zinc/09/98/64/204099864.db2.gz YYUOGOUXBYBMLA-UHFFFAOYSA-N 0 0 338.144 4.204 10 0 EIAERN CC1CCN(c2c(Br)cc(N)cc2Br)CC1 ZINC000226316555 205126023 /nfs/dbraw/zinc/12/60/23/205126023.db2.gz HOCWMXCQZTXAQT-UHFFFAOYSA-N 0 0 348.082 4.030 10 0 EIAERN Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2)cc1N1CCCC1 ZINC000226330636 205129603 /nfs/dbraw/zinc/12/96/03/205129603.db2.gz XLLNLBCYIXCQJY-UHFFFAOYSA-N 0 0 329.831 4.083 10 0 EIAERN CCc1ccc(C(=O)Nc2c(C)cc(N)cc2Br)cc1 ZINC000226763069 205153803 /nfs/dbraw/zinc/15/38/03/205153803.db2.gz RDWUBKPLPZAUTB-UHFFFAOYSA-N 0 0 333.229 4.154 10 0 EIAERN Cc1ccc(C(=O)Nc2ccc(Br)cc2N)c(Cl)c1 ZINC000226347186 205131045 /nfs/dbraw/zinc/13/10/45/205131045.db2.gz PXQFIIIPZRWVEP-UHFFFAOYSA-N 0 0 339.620 4.245 10 0 EIAERN COc1c(Cl)cc(Cl)cc1C(=O)Nc1c(N)cccc1Cl ZINC000226359181 205131566 /nfs/dbraw/zinc/13/15/66/205131566.db2.gz LLCXZGMTQAPPJJ-UHFFFAOYSA-N 0 0 345.613 4.490 10 0 EIAERN Cc1cc(N)ccc1NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000227144858 205173526 /nfs/dbraw/zinc/17/35/26/205173526.db2.gz INQIEMIPCAIAFX-UHFFFAOYSA-N 0 0 332.403 4.409 10 0 EIAERN N[C@H](Cc1ccccc1)c1nnc(SCc2cccc(Cl)c2)o1 ZINC000006475404 206396722 /nfs/dbraw/zinc/39/67/22/206396722.db2.gz XUHYYNSUNPETRN-OAHLLOKOSA-N 0 0 345.855 4.258 10 0 EIAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(C)cc1C ZINC000008007278 210880778 /nfs/dbraw/zinc/88/07/78/210880778.db2.gz YPTQCHSYTKHFOS-KXBFYZLASA-N 0 0 338.451 4.087 10 0 EIAERN CN1C[C@@H](c2ccccc2)[C@H](n2nnc3ccccc32)c2ccccc21 ZINC000005328910 135671181 /nfs/dbraw/zinc/67/11/81/135671181.db2.gz NWHIWJMGPWVNKM-PGRDOPGGSA-N 0 0 340.430 4.254 10 0 EIAERN Cc1coc2ccc(NC(=O)N[C@H]3CCCC[C@@H]3n3cccn3)cc12 ZINC000188012676 526295525 /nfs/dbraw/zinc/29/55/25/526295525.db2.gz GUOGWJOARZFCHG-IRXDYDNUSA-N 0 0 338.411 4.243 10 0 EIAERN Cc1ccc(NC(=S)N(Cc2cccnc2)C2CC2)cc1Cl ZINC000007369855 563600517 /nfs/dbraw/zinc/60/05/17/563600517.db2.gz UNOQGPZMTRXKEA-UHFFFAOYSA-N 0 0 331.872 4.405 10 0 EIAERN CCCCCNC(=S)N(Cc1cccnc1)C[C@@H]1CC=CCC1 ZINC000017068150 563832072 /nfs/dbraw/zinc/83/20/72/563832072.db2.gz LNNNOOLHQRSHEG-QGZVFWFLSA-N 0 0 331.529 4.305 10 0 EIAERN S=C(NC1CCCCC1)N(C[C@@H]1CCCO1)C[C@@H]1CC=CCC1 ZINC000017070792 563833222 /nfs/dbraw/zinc/83/32/22/563833222.db2.gz NRYDHILURJZGGR-AEFFLSMTSA-N 0 0 336.545 4.031 10 0 EIAERN CC(C)(C)OC(=O)/C=C/c1cc(Br)ccc1OC(F)F ZINC000405924182 563930666 /nfs/dbraw/zinc/93/06/66/563930666.db2.gz AFLUGAGDDKALAR-QPJJXVBHSA-N 0 0 349.171 4.405 10 0 EIAERN Cc1cccc(CNCc2cccnc2Oc2ccc(F)cc2F)n1 ZINC000055035936 563933328 /nfs/dbraw/zinc/93/33/28/563933328.db2.gz XCZONPCQPWMFOW-UHFFFAOYSA-N 0 0 341.361 4.145 10 0 EIAERN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC5(CC[C@@]43C)OCCO5)[C@@H]1CC[C@@H]2O ZINC000118912694 563992479 /nfs/dbraw/zinc/99/24/79/563992479.db2.gz FYVKKXPWOJKVKR-RBZZARIASA-N 0 0 334.500 4.133 10 0 EIAERN Cn1cccc1/C=C1/SC(=S)N(c2ccccc2Cl)C1=O ZINC000002411607 564013520 /nfs/dbraw/zinc/01/35/20/564013520.db2.gz IVVVAWLBEOYUNP-UKTHLTGXSA-N 0 0 334.853 4.084 10 0 EIAERN Cc1nn(-c2ccc(C)cc2)c2nc(OCc3ccncc3)cc(C)c12 ZINC000045995497 564029064 /nfs/dbraw/zinc/02/90/64/564029064.db2.gz URXRNLWCHSOBGP-UHFFFAOYSA-N 0 0 344.418 4.320 10 0 EIAERN C[C@@H]1CC[C@](O)(c2cc(Br)cc(Br)c2)C1 ZINC000521401874 564073872 /nfs/dbraw/zinc/07/38/72/564073872.db2.gz SASAETDFIRJKOL-PRHODGIISA-N 0 0 334.051 4.219 10 0 EIAERN Cc1ccc(C)c(-c2cc(CN(C(=O)NC(C)C)C(C)C)no2)c1 ZINC000036005673 564094676 /nfs/dbraw/zinc/09/46/76/564094676.db2.gz ZHLNPMVAWGJAPM-UHFFFAOYSA-N 0 0 329.444 4.287 10 0 EIAERN Cc1ccc(Oc2ccc(NC(=O)N(CC(F)F)C3CC3)cc2)nc1 ZINC000089652313 564112947 /nfs/dbraw/zinc/11/29/47/564112947.db2.gz LFFFSVGUOWDZMY-UHFFFAOYSA-N 0 0 347.365 4.444 10 0 EIAERN Cc1cccc(N2C(=O)S/C(=C/c3nc4ccccc4[nH]3)C2=O)c1C ZINC000027533824 564131052 /nfs/dbraw/zinc/13/10/52/564131052.db2.gz QWNLFMRECRXFIN-MHWRWJLKSA-N 0 0 349.415 4.421 10 0 EIAERN Cc1nc2c(s1)CCC[C@H]2CN(C)C(=O)c1cccn1C(C)C ZINC000328619350 564136934 /nfs/dbraw/zinc/13/69/34/564136934.db2.gz FTUACBGDHOLCRC-AWEZNQCLSA-N 0 0 331.485 4.026 10 0 EIAERN Cc1csc(N(CC(=O)Nc2ccccc2C(C)(C)C)C2CC2)n1 ZINC000078969467 564137471 /nfs/dbraw/zinc/13/74/71/564137471.db2.gz QPFNQSXXPWQDCF-UHFFFAOYSA-N 0 0 343.496 4.357 10 0 EIAERN C[C@@H](COCc1ccccc1)CC(=O)C(C)(C)NC(=O)OC(C)(C)C ZINC000685961234 564177166 /nfs/dbraw/zinc/17/71/66/564177166.db2.gz DPPUHQJDBBXJKK-OAHLLOKOSA-N 0 0 349.471 4.102 10 0 EIAERN Cc1oc(-c2ccccc2)nc1CCNC(=O)CCc1cccs1 ZINC000062576115 1032145714 /nfs/dbraw/zinc/14/57/14/1032145714.db2.gz MMVWCSJLOICISO-UHFFFAOYSA-N 0 0 340.448 4.003 10 0 EIAERN Cc1cccc([C@@H](C)CNC(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000121078791 1032514435 /nfs/dbraw/zinc/51/44/35/1032514435.db2.gz HHOSAOMOSCZGET-DOTOQJQBSA-N 0 0 343.496 4.144 10 0 EIAERN O=C(/C=C/c1cc2ccccc2o1)N1CCC[C@H](c2nccs2)C1 ZINC000109052979 1023238327 /nfs/dbraw/zinc/23/83/27/1023238327.db2.gz NXHXAWCGIVZEKX-KIUWMYQTSA-N 0 0 338.432 4.309 10 0 EIAERN O=C(c1csc2ccccc12)N1CCC[C@@H](c2nccs2)C1 ZINC000109052977 1023239325 /nfs/dbraw/zinc/23/93/25/1023239325.db2.gz DKSYQZZIEKIBCH-GFCCVEGCSA-N 0 0 328.462 4.378 10 0 EIAERN CCc1nc(C)c([C@H](C)N(C)C(=O)[C@H]2Oc3ccccc3[C@H]2C)s1 ZINC000119685869 1026084047 /nfs/dbraw/zinc/08/40/47/1026084047.db2.gz DBLKXYREZPAJFN-ZUCKAHLUSA-N 0 0 344.480 4.098 10 0 EIAERN CCOc1ccc(NC(=O)N2CCC[C@H](c3nccs3)C2)cc1F ZINC000114811058 1027839758 /nfs/dbraw/zinc/83/97/58/1027839758.db2.gz ABGCBNAMDJCKBU-LBPRGKRZSA-N 0 0 349.431 4.092 10 0 EIAERN CCOCc1cccc(NC(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000114813757 1029622504 /nfs/dbraw/zinc/62/25/04/1029622504.db2.gz UFMOSPLHHLZEGS-HNNXBMFYSA-N 0 0 345.468 4.091 10 0 EIAERN C[C@@H](CCc1ccccc1)NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000114818512 1029629003 /nfs/dbraw/zinc/62/90/03/1029629003.db2.gz RCTLHMQDZDSUKO-RDJZCZTQSA-N 0 0 343.496 4.053 10 0 EIAERN O=C(C[C@@H]1OCCc2ccccc21)N1CC=C(c2cccs2)CC1 ZINC000117719776 1031206947 /nfs/dbraw/zinc/20/69/47/1031206947.db2.gz XJSCWHJOJJTZRK-SFHVURJKSA-N 0 0 339.460 4.068 10 0 EIAERN O=C(C[C@@H]1CCOc2ccccc21)N1CC=C(c2cccs2)CC1 ZINC000117720474 1031208244 /nfs/dbraw/zinc/20/82/44/1031208244.db2.gz DGZNRAQJMHCVOY-INIZCTEOSA-N 0 0 339.460 4.320 10 0 EIAERN O=C(/C=C/c1ccc2ccccc2n1)N1CCC[C@H](c2nccs2)C1 ZINC000109053204 1031295733 /nfs/dbraw/zinc/29/57/33/1031295733.db2.gz LLGNBMZUSTUTNS-SCOAYWHSSA-N 0 0 349.459 4.111 10 0 EIAERN CCc1nc([C@@H](C)NC(=O)N2CC=C(c3ccccc3)CC2)cs1 ZINC000111528066 1031333904 /nfs/dbraw/zinc/33/39/04/1031333904.db2.gz WYYVQLKHNVPCGQ-CQSZACIVSA-N 0 0 341.480 4.265 10 0 EIAERN O=C(Nc1ccc(F)cc1Cl)N1CCC[C@H](c2nccs2)C1 ZINC000114804881 1031371582 /nfs/dbraw/zinc/37/15/82/1031371582.db2.gz PUFROKLQYRVROJ-JTQLQIEISA-N 0 0 339.823 4.347 10 0 EIAERN O=C(N[C@@H](c1ccccc1)C1CC1)N1CCC[C@H](c2nccs2)C1 ZINC000114820883 1031371840 /nfs/dbraw/zinc/37/18/40/1031371840.db2.gz QEASEZAXWUNNMY-IRXDYDNUSA-N 0 0 341.480 4.183 10 0 EIAERN Cc1cccc([C@@H](C)NC(=O)N2CCC[C@@H](c3nccs3)C2)c1C ZINC000115858717 1031381739 /nfs/dbraw/zinc/38/17/39/1031381739.db2.gz JWXRPARCRXVUIP-HZPDHXFCSA-N 0 0 343.496 4.410 10 0 EIAERN O=C([C@@H]1C[C@@H]1c1ccc(F)cc1F)N1CC=C(c2cccs2)CC1 ZINC000117719127 1031395781 /nfs/dbraw/zinc/39/57/81/1031395781.db2.gz FAVOYRVHHUGMHS-HZPDHXFCSA-N 0 0 345.414 4.446 10 0 EIAERN Cc1csc(C2CCN(C(=O)C(C)(C)Cc3ccccc3)CC2)n1 ZINC000117781936 1031396674 /nfs/dbraw/zinc/39/66/74/1031396674.db2.gz SBDQVQNCGDDZTE-UHFFFAOYSA-N 0 0 342.508 4.426 10 0 EIAERN CCc1nc([C@H](C)NC(=O)N2CC=C(c3cccs3)CC2)cs1 ZINC000117966920 1031397656 /nfs/dbraw/zinc/39/76/56/1031397656.db2.gz RHVICBKLPJRGDL-LBPRGKRZSA-N 0 0 347.509 4.327 10 0 EIAERN Cc1csc(C2CCN(C(=O)c3ccc(Cl)c(C)c3)CC2)n1 ZINC000127813561 1031711600 /nfs/dbraw/zinc/71/16/00/1031711600.db2.gz GSBAAKQYFCBMLU-UHFFFAOYSA-N 0 0 334.872 4.433 10 0 EIAERN CC[C@@H](NC(=O)N1CC=C(c2cccs2)CC1)c1c(C)noc1C ZINC000129578847 1031804319 /nfs/dbraw/zinc/80/43/19/1031804319.db2.gz ZIYXIRSPTMYUEV-OAHLLOKOSA-N 0 0 345.468 4.303 10 0 EIAERN CC[C@@H](NC(=O)NC1CCN(c2cccs2)CC1)c1cccs1 ZINC000120010187 1032009467 /nfs/dbraw/zinc/00/94/67/1032009467.db2.gz HRXSIPMZBGSKDJ-CQSZACIVSA-N 0 0 349.525 4.229 10 0 EIAERN Cc1cc(O)c(C(C)C)cc1NC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000088464968 1038955663 /nfs/dbraw/zinc/95/56/63/1038955663.db2.gz SJFCMQUPPVTHNY-BFUOFWGJSA-N 0 0 325.408 4.327 10 0 EIAERN CC(C)[C@H](N[C@H](C)c1ccc2c(c1)CCC2)c1nc(C2CC2)no1 ZINC000089670071 1039083962 /nfs/dbraw/zinc/08/39/62/1039083962.db2.gz PNLXTLBIDMDAMH-ACJLOTCBSA-N 0 0 325.456 4.484 10 0 EIAERN O=C(Nc1cccc(-c2ncon2)c1)c1cccc(-c2ccoc2)c1 ZINC000089760630 1039097719 /nfs/dbraw/zinc/09/77/19/1039097719.db2.gz YQIXPWVMXAFIMY-UHFFFAOYSA-N 0 0 331.331 4.249 10 0 EIAERN O=C(c1cccc(-c2ccoc2)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000089815752 1039122941 /nfs/dbraw/zinc/12/29/41/1039122941.db2.gz CFMPEMSJBYPBSL-MRXNPFEDSA-N 0 0 338.432 4.423 10 0 EIAERN Fc1ccc(/C=C/CN[C@H](c2ncon2)c2ccc(Cl)cc2)cc1 ZINC000090202006 1039196552 /nfs/dbraw/zinc/19/65/52/1039196552.db2.gz AFZHFIPFNJTSHZ-IMLGJKEDSA-N 0 0 343.789 4.255 10 0 EIAERN Clc1ccc([C@@H](NCc2cccc(Cl)c2)c2ncon2)cc1 ZINC000090202557 1039203020 /nfs/dbraw/zinc/20/30/20/1039203020.db2.gz DJOUULDCOYPHEQ-OAHLLOKOSA-N 0 0 334.206 4.256 10 0 EIAERN O=C(C[C@H](O)c1ccccc1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000091443631 1039370584 /nfs/dbraw/zinc/37/05/84/1039370584.db2.gz QTULSQJEMPYZEH-SFTDATJTSA-N 0 0 348.446 4.345 10 0 EIAERN O=C(NCc1nc(C2CC2)cs1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000129602537 1042744574 /nfs/dbraw/zinc/74/45/74/1042744574.db2.gz WCQXLMVDCKABGU-OAHLLOKOSA-N 0 0 345.443 4.036 10 0 EIAERN CC(C)CCC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113217642 1043291710 /nfs/dbraw/zinc/29/17/10/1043291710.db2.gz DCDNCWCGOMTYAA-QGZVFWFLSA-N 0 0 325.456 4.219 10 0 EIAERN CC(C)CCC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113217641 1043291991 /nfs/dbraw/zinc/29/19/91/1043291991.db2.gz DCDNCWCGOMTYAA-KRWDZBQOSA-N 0 0 325.456 4.219 10 0 EIAERN O=C(c1ccsc1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113219476 1043294342 /nfs/dbraw/zinc/29/43/42/1043294342.db2.gz IXUJSCAUZUUNIT-OAHLLOKOSA-N 0 0 337.448 4.158 10 0 EIAERN Cc1cc(NCc2ncc(-c3ccccc3Cl)o2)ccc1C(N)=O ZINC000072912307 1045800647 /nfs/dbraw/zinc/80/06/47/1045800647.db2.gz WLZQEPPKLJEKIA-UHFFFAOYSA-N 0 0 341.798 4.014 10 0 EIAERN C[C@@H](NC(=O)N1CCC(Nc2ccccc2F)CC1)c1ccccc1 ZINC000073417326 1045805110 /nfs/dbraw/zinc/80/51/10/1045805110.db2.gz OVUSAKYUSHBIHG-OAHLLOKOSA-N 0 0 341.430 4.173 10 0 EIAERN CCO[C@H](C)c1nc(CN2CCC(Oc3ccccc3)CC2)cs1 ZINC000076722234 1045908013 /nfs/dbraw/zinc/90/80/13/1045908013.db2.gz CPAARBISBJNPRO-OAHLLOKOSA-N 0 0 346.496 4.284 10 0 EIAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3csc(C(C)C)n3)C2)cc1 ZINC000078187981 1046009142 /nfs/dbraw/zinc/00/91/42/1046009142.db2.gz CIKCWHYAKHOQBS-DZGCQCFKSA-N 0 0 344.480 4.293 10 0 EIAERN O=C(Nc1cccc(Oc2ccccc2)c1)[C@H]1CCCn2ccnc21 ZINC000081106480 1046907514 /nfs/dbraw/zinc/90/75/14/1046907514.db2.gz WEYPMTQSINCMIP-SFHVURJKSA-N 0 0 333.391 4.192 10 0 EIAERN C[C@H]1CCN(C(=O)c2cc(Br)ccc2Cl)[C@@H](C)C1 ZINC000051734383 214102290 /nfs/dbraw/zinc/10/22/90/214102290.db2.gz LPQCHXGYRCBAHG-UWVGGRQHSA-N 0 0 330.653 4.363 10 0 EIAERN CN(Cc1csc(Br)c1)c1c(N)ccc(F)c1F ZINC000053166848 214167500 /nfs/dbraw/zinc/16/75/00/214167500.db2.gz IQRGJGVSKZIUAI-UHFFFAOYSA-N 0 0 333.201 4.007 10 0 EIAERN O=C(c1cccnc1)c1ccc(Br)cc1C(F)(F)F ZINC000054270055 214229031 /nfs/dbraw/zinc/22/90/31/214229031.db2.gz JPFPOOJVSUFUEF-UHFFFAOYSA-N 0 0 330.103 4.094 10 0 EIAERN COc1cc(Br)c(N)c2c(-c3ccccc3)ccnc12 ZINC000098178126 219086695 /nfs/dbraw/zinc/08/66/95/219086695.db2.gz JXMOIYMGKWADJF-UHFFFAOYSA-N 0 0 329.197 4.255 10 0 EIAERN CCCCO[C@@H](C)OCCC(F)(F)C(F)(F)Br ZINC000098210588 219087356 /nfs/dbraw/zinc/08/73/56/219087356.db2.gz QMEXHUCZGDTTAM-MRVPVSSYSA-N 0 0 325.140 4.179 10 0 EIAERN Cc1nn(-c2cccc(C)c2)c2nc(-c3ccccc3)[nH]c(=S)c12 ZINC000049454406 214009333 /nfs/dbraw/zinc/00/93/33/214009333.db2.gz ISWWHYURZUAYDO-UHFFFAOYSA-N 0 0 332.432 4.388 10 0 EIAERN O=C1CC(c2cccnc2)=Nc2ccccc2N1Cc1ccccc1 ZINC000100898146 219110113 /nfs/dbraw/zinc/11/01/13/219110113.db2.gz VSAGYNWLXLHURD-UHFFFAOYSA-N 0 0 327.387 4.139 10 0 EIAERN CO[C@H](CNC(=O)/C=C\c1ccc(SC)cc1)c1ccccc1C ZINC000101322463 219121164 /nfs/dbraw/zinc/12/11/64/219121164.db2.gz KTHZRHZTMSWSRV-QTJNJRLBSA-N 0 0 341.476 4.234 10 0 EIAERN O=C(CC(c1ccccc1)c1ccccc1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000046492039 213800911 /nfs/dbraw/zinc/80/09/11/213800911.db2.gz DZOXXCTZPTZFQO-VXKWHMMOSA-N 0 0 349.474 4.379 10 0 EIAERN O=C1Nc2cc(C(F)(F)F)ccc2[C@@H]1c1cc(Cl)ccc1O ZINC000101770543 219163727 /nfs/dbraw/zinc/16/37/27/219163727.db2.gz GEYOEKOXFSCBMN-CYBMUJFWSA-N 0 0 327.689 4.148 10 0 EIAERN O=C1c2cc(Br)ccc2CCC12Cc1ccccc1C2 ZINC000066054865 215004211 /nfs/dbraw/zinc/00/42/11/215004211.db2.gz XOVKLYCYIMBNHQ-UHFFFAOYSA-N 0 0 327.221 4.363 10 0 EIAERN O=C1c2cc(Br)ccc2C[C@@]12CCc1ccccc1C2 ZINC000066054853 215004753 /nfs/dbraw/zinc/00/47/53/215004753.db2.gz NPDFCMNICKTWFJ-SFHVURJKSA-N 0 0 327.221 4.363 10 0 EIAERN COC(=O)c1sc2nc(Cc3ccccc3)nc(Cl)c2c1C ZINC000003887845 210084956 /nfs/dbraw/zinc/08/49/56/210084956.db2.gz OVUZWCXQWIEKLH-UHFFFAOYSA-N 0 0 332.812 4.031 10 0 EIAERN CN(Cc1cc(Br)cs1)c1cccc(Cl)c1CO ZINC000042399874 213502437 /nfs/dbraw/zinc/50/24/37/213502437.db2.gz ODPUCJOGCRPHJI-UHFFFAOYSA-N 0 0 346.677 4.293 10 0 EIAERN CCC1CCC(O)(Cc2cc(Br)ccc2OC)CC1 ZINC000103951145 219332302 /nfs/dbraw/zinc/33/23/02/219332302.db2.gz FLSNJADBPBGLLW-UHFFFAOYSA-N 0 0 327.262 4.332 10 0 EIAERN CCOC(=O)c1c(N)scc1-c1ccc(F)c(Br)c1 ZINC000103988111 219336148 /nfs/dbraw/zinc/33/61/48/219336148.db2.gz IJHNVHBBYIRSED-UHFFFAOYSA-N 0 0 344.205 4.076 10 0 EIAERN C[C@H]1CC(C)(C)C[C@](CO)(Nc2ccc(Br)cc2)C1 ZINC000104031087 219340143 /nfs/dbraw/zinc/34/01/43/219340143.db2.gz QDDWYNAPRJRFRX-BLLLJJGKSA-N 0 0 326.278 4.438 10 0 EIAERN CC[C@@H]1CCCC[C@@H]1OC(=O)c1cc(Br)ccc1N ZINC000104169987 219354435 /nfs/dbraw/zinc/35/44/35/219354435.db2.gz FNPPWJRZILZCST-YGRLFVJLSA-N 0 0 326.234 4.157 10 0 EIAERN CCCc1cc(NCC)nc(-c2cc(Br)cs2)n1 ZINC000104157398 219354634 /nfs/dbraw/zinc/35/46/34/219354634.db2.gz FWBXOTUGUVCNGR-UHFFFAOYSA-N 0 0 326.263 4.352 10 0 EIAERN CN(C[C@H]1C[C@H]2CC[C@@H]1C2)C(=O)c1csc(Br)c1 ZINC000104234808 219363048 /nfs/dbraw/zinc/36/30/48/219363048.db2.gz YQDVRIZOPJGFNG-HBNTYKKESA-N 0 0 328.275 4.019 10 0 EIAERN O=Cc1ccc(Br)cc1Sc1nc2ccccc2[nH]1 ZINC000104296375 219372211 /nfs/dbraw/zinc/37/22/11/219372211.db2.gz ULKVPHSTUBVOEV-UHFFFAOYSA-N 0 0 333.210 4.289 10 0 EIAERN CN(Cc1cccc(Br)c1)Cc1c(N)cccc1Cl ZINC000104309183 219372465 /nfs/dbraw/zinc/37/24/65/219372465.db2.gz XTAKDXGYYAFWBH-UHFFFAOYSA-N 0 0 339.664 4.317 10 0 EIAERN Cc1ccc([C@@H](C)O)c(OCc2sccc2Br)c1 ZINC000104336524 219375705 /nfs/dbraw/zinc/37/57/05/219375705.db2.gz NUCDZHJSCRSLAC-SNVBAGLBSA-N 0 0 327.243 4.451 10 0 EIAERN CC(C)c1ccc(NC(=S)NC(=O)CCc2ccccc2)cc1 ZINC000040898525 213398553 /nfs/dbraw/zinc/39/85/53/213398553.db2.gz GZYKYDQIWOSGTK-UHFFFAOYSA-N 0 0 326.465 4.256 10 0 EIAERN CCOc1ccc(/C=C/C(=O)Oc2ccccc2Cl)cc1OC ZINC000040852697 213393422 /nfs/dbraw/zinc/39/34/22/213393422.db2.gz AOMKITNRCHWFLI-PKNBQFBNSA-N 0 0 332.783 4.366 10 0 EIAERN Nc1c(Nc2ccc(F)c(F)c2)ncnc1Nc1ccc(F)c(F)c1 ZINC000040800317 213388377 /nfs/dbraw/zinc/38/83/77/213388377.db2.gz NEDJIDQUCMOBRH-UHFFFAOYSA-N 0 0 349.291 4.102 10 0 EIAERN Cc1cc(Oc2ncnc(Nc3nccs3)c2N)ccc1Cl ZINC000040780918 213385828 /nfs/dbraw/zinc/38/58/28/213385828.db2.gz GPPGFUTYOGJWLJ-UHFFFAOYSA-N 0 0 333.804 4.013 10 0 EIAERN Nc1c(Nc2ccc(Cl)cc2)ncnc1Nc1cc(F)ccc1F ZINC000040782202 213387355 /nfs/dbraw/zinc/38/73/55/213387355.db2.gz ZTZONHJISJHELV-UHFFFAOYSA-N 0 0 347.756 4.478 10 0 EIAERN Cc1ccc(Sc2ncnc(Nc3cccnc3Cl)c2N)cc1 ZINC000040783447 213387184 /nfs/dbraw/zinc/38/71/84/213387184.db2.gz YHWWQXBKQWTTKF-UHFFFAOYSA-N 0 0 343.843 4.310 10 0 EIAERN Nc1c(Nc2ccc(Cl)cc2)ncnc1Nc1cccnc1Cl ZINC000040782225 213386677 /nfs/dbraw/zinc/38/66/77/213386677.db2.gz DKDDDUQNEMSCIT-UHFFFAOYSA-N 0 0 347.209 4.248 10 0 EIAERN Clc1ncccc1N[C@H]1CCc2cc(Br)ccc2C1 ZINC000104367470 219380526 /nfs/dbraw/zinc/38/05/26/219380526.db2.gz KOLAETKVVGOGDD-ZDUSSCGKSA-N 0 0 337.648 4.467 10 0 EIAERN Cc1ccc2cccc(Nc3ncnc(OC4CCCCC4)c3N)c2n1 ZINC000040758800 213383731 /nfs/dbraw/zinc/38/37/31/213383731.db2.gz RZERPZDAHYCKAM-UHFFFAOYSA-N 0 0 349.438 4.371 10 0 EIAERN Nc1c(Nc2cccc3ncccc32)ncnc1NC1CCCCC1 ZINC000040708685 213372247 /nfs/dbraw/zinc/37/22/47/213372247.db2.gz BNYOPDQVDGNNMK-UHFFFAOYSA-N 0 0 334.427 4.095 10 0 EIAERN CC(C)CCNc1ncnc(Nc2ccccc2C(F)(F)F)c1N ZINC000040701852 213371839 /nfs/dbraw/zinc/37/18/39/213371839.db2.gz VANZGBQWTZMIKW-UHFFFAOYSA-N 0 0 339.365 4.279 10 0 EIAERN CC(C)Nc1ncnc(Nc2ccc(Cl)c(C(F)(F)F)c2)c1N ZINC000040708288 213371713 /nfs/dbraw/zinc/37/17/13/213371713.db2.gz BKLAVOBMEJPTRM-UHFFFAOYSA-N 0 0 345.756 4.295 10 0 EIAERN CC(=O)c1ccc(Nc2ncnc(Oc3cc(C)cc(C)c3)c2N)cc1 ZINC000040681474 213367550 /nfs/dbraw/zinc/36/75/50/213367550.db2.gz DYFOIJCWQRICSX-UHFFFAOYSA-N 0 0 348.406 4.414 10 0 EIAERN Cc1cc(C)cc(Oc2ncnc(Nc3ccc(F)c(F)c3)c2N)c1 ZINC000040681612 213368610 /nfs/dbraw/zinc/36/86/10/213368610.db2.gz BDISMJRNDMLGBF-UHFFFAOYSA-N 0 0 342.349 4.490 10 0 EIAERN CCOCCn1c(COc2ccccc2)nc2cc(Cl)ccc21 ZINC000040405201 213298574 /nfs/dbraw/zinc/29/85/74/213298574.db2.gz NDJIOISSFOAFIX-UHFFFAOYSA-N 0 0 330.815 4.305 10 0 EIAERN COCCn1c(COc2ccc(C)cc2)nc2cc(Cl)ccc21 ZINC000040404763 213298658 /nfs/dbraw/zinc/29/86/58/213298658.db2.gz UDFVPRUGLCVCRF-UHFFFAOYSA-N 0 0 330.815 4.224 10 0 EIAERN Cc1nc2cc(C)c(C)cc2n1CC(=O)Nc1ccc(Cl)cc1 ZINC000040295562 213290084 /nfs/dbraw/zinc/29/00/84/213290084.db2.gz FGRHBJKNFJDEKP-UHFFFAOYSA-N 0 0 327.815 4.254 10 0 EIAERN CCCCCn1c(CNC(=O)c2ccc(C)cc2)nc2ccccc21 ZINC000040276552 213287260 /nfs/dbraw/zinc/28/72/60/213287260.db2.gz IWUOHMGEUXXUSQ-UHFFFAOYSA-N 0 0 335.451 4.465 10 0 EIAERN CC(=O)NCc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000040274087 213287070 /nfs/dbraw/zinc/28/70/70/213287070.db2.gz QXXWFBSATMTSQG-UHFFFAOYSA-N 0 0 348.233 4.028 10 0 EIAERN CN(C(=O)Cn1c2ccccc2nc1C(C)(C)C)C1CCCCC1 ZINC000040239309 213285016 /nfs/dbraw/zinc/28/50/16/213285016.db2.gz JOOUDSMSXHITDI-UHFFFAOYSA-N 0 0 327.472 4.125 10 0 EIAERN CCCn1c(CCNC(=O)c2ccccc2Cl)nc2ccccc21 ZINC000040199597 213280264 /nfs/dbraw/zinc/28/02/64/213280264.db2.gz SVZIQCPTABDROB-UHFFFAOYSA-N 0 0 341.842 4.072 10 0 EIAERN Cc1ccc(NC(=O)c2cnc3c(cccc3C(F)(F)F)c2O)cc1 ZINC000040176971 213279988 /nfs/dbraw/zinc/27/99/88/213279988.db2.gz GBPQPSCKSFHZTE-UHFFFAOYSA-N 0 0 346.308 4.108 10 0 EIAERN Cc1ccccc1NC(=O)c1cnc2c(cccc2C(F)(F)F)c1O ZINC000040176987 213279994 /nfs/dbraw/zinc/27/99/94/213279994.db2.gz VWMSKZCTQOKRBP-UHFFFAOYSA-N 0 0 346.308 4.108 10 0 EIAERN NC(=O)c1ccc(Nc2ccnc3c2cccc3C(F)(F)F)cc1 ZINC000039963855 213247566 /nfs/dbraw/zinc/24/75/66/213247566.db2.gz AJQSQWATTLSVGL-UHFFFAOYSA-N 0 0 331.297 4.096 10 0 EIAERN COc1ccc(-c2nc3n(c2-c2ccc(OC)cc2)CCS3)cc1 ZINC000039321713 213234029 /nfs/dbraw/zinc/23/40/29/213234029.db2.gz WWVVMOWJXBBNGF-UHFFFAOYSA-N 0 0 338.432 4.340 10 0 EIAERN CCOc1ccccc1NC(=O)c1cnc2[nH]cc(-c3ccoc3)c2c1 ZINC000038330426 213208111 /nfs/dbraw/zinc/20/81/11/213208111.db2.gz GQSOBQNWGDGSSA-UHFFFAOYSA-N 0 0 347.374 4.474 10 0 EIAERN COc1cc(/C=C\c2cc3occc3c(O)c2)cc(OC)c1OC ZINC000038356147 213207146 /nfs/dbraw/zinc/20/71/46/213207146.db2.gz CKGOZQOFJSRSSW-PLNGDYQASA-N 0 0 326.348 4.335 10 0 EIAERN C[C@@H](Nc1cccnc1-n1cccn1)c1ccc(Br)s1 ZINC000038003096 213187921 /nfs/dbraw/zinc/18/79/21/213187921.db2.gz GUGXKKRWYPRITL-SNVBAGLBSA-N 0 0 349.257 4.264 10 0 EIAERN C[C@@H](Nc1ccccc1-n1cncn1)c1ccc(Br)s1 ZINC000038002784 213186881 /nfs/dbraw/zinc/18/68/81/213186881.db2.gz GMRDMCBMKZTYAH-SNVBAGLBSA-N 0 0 349.257 4.264 10 0 EIAERN C[C@@H](NC(=O)c1nc(Cl)ccc1Cl)c1cc(F)ccc1F ZINC000037983486 213182360 /nfs/dbraw/zinc/18/23/60/213182360.db2.gz ZFFGJYXOUZAWPW-SSDOTTSWSA-N 0 0 331.149 4.158 10 0 EIAERN CCOC(=O)[C@@](C)(NC1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000037970650 213177857 /nfs/dbraw/zinc/17/78/57/213177857.db2.gz HNYJTGVCNVAYFU-INIZCTEOSA-N 0 0 330.255 4.304 10 0 EIAERN O=C([O-])[C@H]([NH2+]C1CCCCCC1)c1ccc(F)c(Br)c1 ZINC000037972443 213177888 /nfs/dbraw/zinc/17/78/88/213177888.db2.gz CSTLTAPRWZCDBO-CQSZACIVSA-N 0 0 344.224 4.026 10 0 EIAERN COc1ccc(Br)cc1-c1nc(C)c(C)c(Cl)n1 ZINC000037947884 213175148 /nfs/dbraw/zinc/17/51/48/213175148.db2.gz GADODLSKDLVBDD-UHFFFAOYSA-N 0 0 327.609 4.185 10 0 EIAERN CC(C)C[C@@H](C)N(C)C(=O)c1cc(Br)cn1C(C)C ZINC000037845155 213169909 /nfs/dbraw/zinc/16/99/09/213169909.db2.gz FIJRUTMQEOJFFB-GFCCVEGCSA-N 0 0 329.282 4.338 10 0 EIAERN CCCn1cc(N[C@@H](C)c2sccc2Br)ccc1=O ZINC000037774778 213165388 /nfs/dbraw/zinc/16/53/88/213165388.db2.gz LIWFFJHGPNNFNK-JTQLQIEISA-N 0 0 341.274 4.255 10 0 EIAERN COc1cc(Br)cc(C)c1N[C@H]1CCCC[C@@H]1OC ZINC000037776786 213166551 /nfs/dbraw/zinc/16/65/51/213166551.db2.gz SJXUTVXRZQVQRR-STQMWFEESA-N 0 0 328.250 4.136 10 0 EIAERN O=C(NCc1ccc(F)cc1)c1cc2sccc2n1CC1CC1 ZINC000037526008 213154242 /nfs/dbraw/zinc/15/42/42/213154242.db2.gz UEMGZPMHLJVGCN-UHFFFAOYSA-N 0 0 328.412 4.182 10 0 EIAERN Cc1ccc(Br)cc1Nc1ccc(C(N)=S)cc1F ZINC000037368309 213141911 /nfs/dbraw/zinc/14/19/11/213141911.db2.gz LZJGKICLNHCGTR-UHFFFAOYSA-N 0 0 339.233 4.274 10 0 EIAERN Clc1cc(Br)ccc1NC1CCC2(CC1)OCCO2 ZINC000036963643 213127794 /nfs/dbraw/zinc/12/77/94/213127794.db2.gz KVVXIGPEZQEEEX-UHFFFAOYSA-N 0 0 346.652 4.200 10 0 EIAERN O=Cc1ccc(Oc2ccc(I)cc2)c(F)c1 ZINC000036904128 213126146 /nfs/dbraw/zinc/12/61/46/213126146.db2.gz NNAWNEZYSAQAEB-UHFFFAOYSA-N 0 0 342.107 4.035 10 0 EIAERN Cc1ccc(C)c(C(=O)c2cccc(I)c2)c1 ZINC000036939955 213125602 /nfs/dbraw/zinc/12/56/02/213125602.db2.gz FNQLINMZPQMWLW-UHFFFAOYSA-N 0 0 336.172 4.139 10 0 EIAERN CCc1ccc(-n2nnc(C(=O)Oc3ccc(Cl)cc3)c2C)cc1 ZINC000036638966 213106392 /nfs/dbraw/zinc/10/63/92/213106392.db2.gz XRMYJKNANCTUPW-UHFFFAOYSA-N 0 0 341.798 4.011 10 0 EIAERN CC[C@H](C)NC(=O)c1cncc(-c2ccccc2Br)c1 ZINC000036349258 213086080 /nfs/dbraw/zinc/08/60/80/213086080.db2.gz ORIBPWKRHKBILI-NSHDSACASA-N 0 0 333.229 4.039 10 0 EIAERN Cc1cccc(C(=O)N2CCC[C@H](OCc3cccc(F)c3F)C2)c1 ZINC000036315330 213083759 /nfs/dbraw/zinc/08/37/59/213083759.db2.gz MPUSBAUFCOSMOH-KRWDZBQOSA-N 0 0 345.389 4.095 10 0 EIAERN O=C(c1ccccc1Cl)N1CCC[C@H](OCc2ccccc2)C1 ZINC000036314591 213083047 /nfs/dbraw/zinc/08/30/47/213083047.db2.gz MXRIXZFCPUUZJR-INIZCTEOSA-N 0 0 329.827 4.161 10 0 EIAERN C[C@H](O)c1ccccc1Oc1cccc(I)c1 ZINC000035650741 213043929 /nfs/dbraw/zinc/04/39/29/213043929.db2.gz QAOWLYUDNZOZJP-JTQLQIEISA-N 0 0 340.160 4.137 10 0 EIAERN CC(=O)c1ccccc1Oc1ccccc1I ZINC000035454455 213028848 /nfs/dbraw/zinc/02/88/48/213028848.db2.gz IBDHULVIRPXDKM-UHFFFAOYSA-N 0 0 338.144 4.286 10 0 EIAERN C=CC(=O)NCc1nc2ccccc2n1Cc1ccc2ccccc2c1 ZINC000035143621 213010485 /nfs/dbraw/zinc/01/04/85/213010485.db2.gz ZHFMUMIRKJXZQC-UHFFFAOYSA-N 0 0 341.414 4.040 10 0 EIAERN Brc1cccc(Sc2ccnc(-c3ccccn3)n2)c1 ZINC000034577841 212979635 /nfs/dbraw/zinc/97/96/35/212979635.db2.gz GOUWEKQNTSGAGA-UHFFFAOYSA-N 0 0 344.237 4.452 10 0 in-vivo EIAERN CN1CCN(C(=O)Nc2ccccc2C(F)(F)F)c2ccccc21 ZINC000033127084 212900588 /nfs/dbraw/zinc/90/05/88/212900588.db2.gz VMJQCPNTSZQPDF-UHFFFAOYSA-N 0 0 335.329 4.194 10 0 EIAERN Cc1ccc(C(=O)N(C[C@@H]2COc3ccccc3C2)C(C)C)cc1F ZINC000032985098 212884296 /nfs/dbraw/zinc/88/42/96/212884296.db2.gz VAQXJQGQLMHJJN-MRXNPFEDSA-N 0 0 341.426 4.236 10 0 EIAERN CN[C@@H](c1ccc(C)o1)c1cc(Cl)cc(Br)c1OC ZINC000035457925 213029707 /nfs/dbraw/zinc/02/97/07/213029707.db2.gz WBRPGHKCHYOFIC-CYBMUJFWSA-N 0 0 344.636 4.321 10 0 EIAERN Cc1cc(NC(=O)c2ccccc2)c2cc(C(=O)OC(C)C)ccc2n1 ZINC000032606188 212816129 /nfs/dbraw/zinc/81/61/29/212816129.db2.gz AMAILWAUEKWEKQ-UHFFFAOYSA-N 0 0 348.402 4.361 10 0 EIAERN Nc1nc(NCc2ccccc2)nc(-c2ccc(Cl)cc2Cl)n1 ZINC000032519478 212807077 /nfs/dbraw/zinc/80/70/77/212807077.db2.gz YFRRMWWTCPWBKV-UHFFFAOYSA-N 0 0 346.221 4.040 10 0 EIAERN Fc1ccc(-c2nc(Br)c(Br)s2)cc1 ZINC000072192879 216068170 /nfs/dbraw/zinc/06/81/70/216068170.db2.gz VPDBAHARBCFYAV-UHFFFAOYSA-N 0 0 337.011 4.474 10 0 EIAERN O=C([O-])CCc1cccc([C@@H]2CCC[N@@H+]2Cc2cccc(Cl)c2)n1 ZINC000072367209 216172591 /nfs/dbraw/zinc/17/25/91/216172591.db2.gz YEPIOVHZLYYSGS-SFHVURJKSA-N 0 0 344.842 4.089 10 0 EIAERN O=C([O-])CCc1cccc([C@H]2CCC[N@@H+]2Cc2cccc(Cl)c2)n1 ZINC000072367208 216173039 /nfs/dbraw/zinc/17/30/39/216173039.db2.gz YEPIOVHZLYYSGS-GOSISDBHSA-N 0 0 344.842 4.089 10 0 EIAERN COc1cc(-c2csc([C@@H]3COc4ccccc4O3)n2)ccc1O ZINC000000168987 209462114 /nfs/dbraw/zinc/46/21/14/209462114.db2.gz MBMAAVQGVHYRSL-KRWDZBQOSA-N 0 0 341.388 4.037 10 0 EIAERN Cc1nn2c(nnc(-c3cccc(Cl)c3)c2N)c1-c1ccccc1 ZINC000072417192 216206029 /nfs/dbraw/zinc/20/60/29/216206029.db2.gz LZAQXISKOHKXQT-UHFFFAOYSA-N 0 0 335.798 4.002 10 0 EIAERN Cc1ccccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)[nH]c1=O ZINC000072450794 216238533 /nfs/dbraw/zinc/23/85/33/216238533.db2.gz CGDCGYZPYPGBSK-UHFFFAOYSA-N 0 0 338.794 4.256 10 0 EIAERN O=C(Nc1ccccc1F)c1ccc(-c2ccc(Cl)cc2)[nH]c1=O ZINC000072450842 216238900 /nfs/dbraw/zinc/23/89/00/216238900.db2.gz NTFHLCJPQPSEGM-UHFFFAOYSA-N 0 0 342.757 4.087 10 0 EIAERN CCc1nn2cc3c(nc2c1-c1ccc(F)cc1)CC(C)(C)CC3=O ZINC000072464055 216246541 /nfs/dbraw/zinc/24/65/41/216246541.db2.gz GCZXZGLWOMEYDO-UHFFFAOYSA-N 0 0 337.398 4.253 10 0 EIAERN CCc1c(C)nc(-c2cc(Cl)c(OC)c(OC)c2)nc1Cl ZINC000038004012 213187283 /nfs/dbraw/zinc/18/72/83/213187283.db2.gz JCDRDDNZJFKOJK-UHFFFAOYSA-N 0 0 327.211 4.338 10 0 EIAERN COc1ccc(-c2nnc(SCc3ccc(Cl)nc3)o2)cc1 ZINC000023372223 212373079 /nfs/dbraw/zinc/37/30/79/212373079.db2.gz WGHCCUMXBFADKL-UHFFFAOYSA-N 0 0 333.800 4.086 10 0 EIAERN O=C(Nc1ccc(F)cc1F)c1cccc(Oc2ccccc2)n1 ZINC000211682298 241082809 /nfs/dbraw/zinc/08/28/09/241082809.db2.gz XXCFOGGUHKYYQO-UHFFFAOYSA-N 0 0 326.302 4.404 10 0 EIAERN COC(=O)[C@@H](C)CCC[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 ZINC000021987970 212269022 /nfs/dbraw/zinc/26/90/22/212269022.db2.gz IVNBWLOUAJYGFJ-YUNKPMOVSA-N 0 0 334.456 4.381 10 0 EIAERN O=C(Nc1cccc(F)c1)Nc1cnc(Oc2ccccc2F)nc1 ZINC000224290794 241746571 /nfs/dbraw/zinc/74/65/71/241746571.db2.gz KFWGBLKPIACMRL-UHFFFAOYSA-N 0 0 342.305 4.191 10 0 EIAERN CCOc1ccc(NC(=O)c2cc3ccccc3cc2OC)c(N)c1 ZINC000226347545 242099681 /nfs/dbraw/zinc/09/96/81/242099681.db2.gz UBLKNXVYGJFYQK-UHFFFAOYSA-N 0 0 336.391 4.082 10 0 EIAERN Cc1cc(N)c(NC(=O)COc2ccc(Cl)cc2C)cc1Cl ZINC000226359262 242100978 /nfs/dbraw/zinc/10/09/78/242100978.db2.gz JOPWGXQOVKZGFE-UHFFFAOYSA-N 0 0 339.222 4.210 10 0 EIAERN C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-n2cccc2)cc1 ZINC000226630298 242106910 /nfs/dbraw/zinc/10/69/10/242106910.db2.gz LMCMPZKWGQMQBI-ORYQWCPZSA-N 0 0 330.431 4.458 10 0 EIAERN CCCOc1cccc(C(=O)Nc2cc(N)ccc2N(CC)CC)c1 ZINC000226261578 242093061 /nfs/dbraw/zinc/09/30/61/242093061.db2.gz KLRMPXYZXLRJIY-UHFFFAOYSA-N 0 0 341.455 4.156 10 0 EIAERN CCN(C(=O)C(F)(F)F)c1cccc(-c2nc3ccccc3o2)c1 ZINC000226284489 242094657 /nfs/dbraw/zinc/09/46/57/242094657.db2.gz VSIRIGZRPSHZBV-UHFFFAOYSA-N 0 0 334.297 4.410 10 0 EIAERN Cc1cc(N2Cc3ccccc3C2=O)ccc1NC(=O)c1ccco1 ZINC000226287588 242094832 /nfs/dbraw/zinc/09/48/32/242094832.db2.gz WAAVJXXDAPBWFC-UHFFFAOYSA-N 0 0 332.359 4.001 10 0 EIAERN Cc1nnc2sc(-c3ccc(OCc4ccccc4C)cc3)nn12 ZINC000226298504 242095511 /nfs/dbraw/zinc/09/55/11/242095511.db2.gz OFWGCWBGMLITMD-UHFFFAOYSA-N 0 0 336.420 4.049 10 0 EIAERN CC(C)N(c1ccc(N)cc1C(=O)N1C[C@@H](C)C[C@H](C)C1)C(C)C ZINC000226323566 242098850 /nfs/dbraw/zinc/09/88/50/242098850.db2.gz CNRIYIYOCYWCKV-HOTGVXAUSA-N 0 0 331.504 4.010 10 0 EIAERN Cc1cc(C)cc(Nc2c3[nH]cccc-3c(=O)n2Cc2ccco2)c1 ZINC000021105150 212207342 /nfs/dbraw/zinc/20/73/42/212207342.db2.gz OASMVSZJDIXSSG-IBGZPJMESA-N 0 0 333.391 4.058 10 0 EIAERN O=C(Cc1ccccc1)Nc1ccc(C(=O)Nc2cccc(F)c2)cc1 ZINC000020369337 212123448 /nfs/dbraw/zinc/12/34/48/212123448.db2.gz KDVSJXWMFFDOTK-UHFFFAOYSA-N 0 0 348.377 4.259 10 0 EIAERN OCc1cc(Br)ccc1OCc1ccc(Cl)s1 ZINC000020310512 212118092 /nfs/dbraw/zinc/11/80/92/212118092.db2.gz QWHCSJGZCANMOS-UHFFFAOYSA-N 0 0 333.634 4.235 10 0 EIAERN CC(C)c1ccc(-c2csc3ncnc(NCCCO)c23)cc1 ZINC000020322166 212119930 /nfs/dbraw/zinc/11/99/30/212119930.db2.gz MEFOTTODEXGGMM-UHFFFAOYSA-N 0 0 327.453 4.276 10 0 EIAERN COc1ccc(OC)c(Nc2ncnc3sc4c(c32)CCCC4)c1 ZINC000019960767 212090495 /nfs/dbraw/zinc/09/04/95/212090495.db2.gz FBLVVELQDAOJRR-UHFFFAOYSA-N 0 0 341.436 4.331 10 0 EIAERN Cc1cc([C@H](CO)Nc2cccc(Br)c2)c(C)s1 ZINC000049688057 214028321 /nfs/dbraw/zinc/02/83/21/214028321.db2.gz FVXRSKBRAMNRON-AWEZNQCLSA-N 0 0 326.259 4.273 10 0 EIAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cc2cc(F)ccc2[nH]1 ZINC000078886076 217139243 /nfs/dbraw/zinc/13/92/43/217139243.db2.gz NNKRFCSNDDIVAL-ZYHUDNBSSA-N 0 0 328.309 4.158 10 0 EIAERN CCCCOc1cccc(C(=O)Oc2ccc(NC(=O)CC)cc2)c1 ZINC000014784027 211763384 /nfs/dbraw/zinc/76/33/84/211763384.db2.gz YVQPIXKUXSDMMO-UHFFFAOYSA-N 0 0 341.407 4.433 10 0 EIAERN CCN(Cc1nc(-c2cc(F)ccc2F)oc1C)Cc1ccncc1 ZINC000012319260 211345180 /nfs/dbraw/zinc/34/51/80/211345180.db2.gz HYCZYEZBRNEBJJ-UHFFFAOYSA-N 0 0 343.377 4.345 10 0 EIAERN CC1(C)Cc2c(cnn2-c2ccccc2)[C@H](NCc2nccs2)C1 ZINC000012297836 211335122 /nfs/dbraw/zinc/33/51/22/211335122.db2.gz QOZDKQSMXFDALK-MRXNPFEDSA-N 0 0 338.480 4.132 10 0 EIAERN O=C(NC1CCCCC1)N1CCn2cccc2[C@H]1Cc1ccccc1 ZINC000009528188 211098513 /nfs/dbraw/zinc/09/85/13/211098513.db2.gz NASRQCPOQRDPAQ-HXUWFJFHSA-N 0 0 337.467 4.130 10 0 EIAERN COc1cccc(NC(=O)N2CCn3c(C)ccc3[C@@H]2C(C)C)c1 ZINC000009528325 211097884 /nfs/dbraw/zinc/09/78/84/211097884.db2.gz GWRRSAYOVGKDLK-SFHVURJKSA-N 0 0 327.428 4.050 10 0 EIAERN Nc1sc2c(c1C(=O)NCc1ccc(Cl)cc1)CCCCC2 ZINC000009246178 211058691 /nfs/dbraw/zinc/05/86/91/211058691.db2.gz QZDMYFWKMYFBFJ-UHFFFAOYSA-N 0 0 334.872 4.183 10 0 EIAERN CC(C)(C)OC(=O)N1CCC[C@@H](CCCOCc2cccnc2)C1 ZINC000095085093 218276906 /nfs/dbraw/zinc/27/69/06/218276906.db2.gz BKPJTDDSENOYEV-INIZCTEOSA-N 0 0 334.460 4.026 10 0 EIAERN CC(C)(C)OC(=O)N1CCCC[C@H]1COCc1ccc(Cl)nc1 ZINC000095086673 218277190 /nfs/dbraw/zinc/27/71/90/218277190.db2.gz IVWMPIPBTUWHIG-AWEZNQCLSA-N 0 0 340.851 4.041 10 0 EIAERN CC(C)(C)OC(=O)N1CCCC[C@H]1CCCOCc1cccnc1 ZINC000095086297 218277433 /nfs/dbraw/zinc/27/74/33/218277433.db2.gz XJJHZVXMCQPYKO-KRWDZBQOSA-N 0 0 334.460 4.168 10 0 EIAERN Cc1ccc(OCCC[C@H]2CCCCN2C(=O)OC(C)(C)C)nc1 ZINC000095090473 218280230 /nfs/dbraw/zinc/28/02/30/218280230.db2.gz KMBDCSRYKMQCRO-MRXNPFEDSA-N 0 0 334.460 4.339 10 0 EIAERN CC(C)N(c1cccc(I)c1)C(F)(F)F ZINC000095088052 218278114 /nfs/dbraw/zinc/27/81/14/218278114.db2.gz GQZYCDRDWBPADD-UHFFFAOYSA-N 0 0 329.103 4.026 10 0 EIAERN C[C@@H](NC(=O)CCc1ccccc1)c1ccccc1Br ZINC000008088526 210893284 /nfs/dbraw/zinc/89/32/84/210893284.db2.gz DVLFVOBDYGGKPO-CYBMUJFWSA-N 0 0 332.241 4.259 10 0 EIAERN CCc1nn2c(nc(C)cc2C)c1Cc1ccc(Br)cc1 ZINC000095643027 218446918 /nfs/dbraw/zinc/44/69/18/218446918.db2.gz IZTFERUMMDONSJ-UHFFFAOYSA-N 0 0 344.256 4.262 10 0 EIAERN Cc1nn(C(=O)OC(C)(C)C)c2ncc(OCc3ccccc3)cc12 ZINC000095936280 218450933 /nfs/dbraw/zinc/45/09/33/218450933.db2.gz PQBSWLUNIPJSPS-UHFFFAOYSA-N 0 0 339.395 4.102 10 0 EIAERN C[C@@H](NC(=O)c1cc(F)cc(F)c1)c1ccccc1Br ZINC000007651475 210826835 /nfs/dbraw/zinc/82/68/35/210826835.db2.gz ACKKASYLNXQHOK-SECBINFHSA-N 0 0 340.167 4.218 10 0 EIAERN C[C@H](NC(=O)c1cc(F)cc(F)c1)c1ccccc1Br ZINC000007651473 210826898 /nfs/dbraw/zinc/82/68/98/210826898.db2.gz ACKKASYLNXQHOK-VIFPVBQESA-N 0 0 340.167 4.218 10 0 EIAERN CCCNC(=O)c1c(C)cc(C)n1Cc1cccc(C(F)(F)F)c1 ZINC000006772969 210707674 /nfs/dbraw/zinc/70/76/74/210707674.db2.gz IXVDKTHDVIZCBB-UHFFFAOYSA-N 0 0 338.373 4.312 10 0 EIAERN Cc1ccnc(N2C(=O)CS[C@H]2c2c(Cl)cccc2Cl)c1 ZINC000005931457 210560891 /nfs/dbraw/zinc/56/08/91/210560891.db2.gz IAHWYIBORAJJQU-HNNXBMFYSA-N 0 0 339.247 4.475 10 0 EIAERN O[C@@](c1cncs1)(c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000005490114 210475161 /nfs/dbraw/zinc/47/51/61/210475161.db2.gz OZDWEXLKDHGLFH-INIZCTEOSA-N 0 0 335.350 4.446 10 0 EIAERN COCCCNC(=O)c1cc(Nc2ccccc2C)nc2ccccc21 ZINC000004910879 210321129 /nfs/dbraw/zinc/32/11/29/210321129.db2.gz DEYIQMMSMMUSEY-UHFFFAOYSA-N 0 0 349.434 4.053 10 0 EIAERN CCN(C(=O)C(F)(F)F)c1ccc(N2CCCC[C@H]2C)c(C)c1 ZINC000226284831 135593343 /nfs/dbraw/zinc/59/33/43/135593343.db2.gz SKZCNVJRRBSYFK-CYBMUJFWSA-N 0 0 328.378 4.289 10 0 EIAERN Cc1cccc(-c2cc(=O)[nH]c(NCc3ccc(F)cc3Cl)n2)c1 ZINC000057342030 524106564 /nfs/dbraw/zinc/10/65/64/524106564.db2.gz LVJBDKMXVBMIKT-UHFFFAOYSA-N 0 0 343.789 4.150 10 0 EIAERN O=C(c1ccccn1)C1(c2ccc(C(F)(F)F)cc2)CCOCC1 ZINC000087493540 563974364 /nfs/dbraw/zinc/97/43/64/563974364.db2.gz FLBLMCMAUIHXDM-UHFFFAOYSA-N 0 0 335.325 4.032 10 0 EIAERN CC[C@H]1CN(Cc2cccc(C)c2Br)C[C@H](CC)O1 ZINC000725262828 563986372 /nfs/dbraw/zinc/98/63/72/563986372.db2.gz WPPJNDLJGIAVMH-GJZGRUSLSA-N 0 0 326.278 4.147 10 0 EIAERN CC[C@@H]1CN(Cc2cccc(C)c2Br)C[C@H](CC)O1 ZINC000725262827 563986394 /nfs/dbraw/zinc/98/63/94/563986394.db2.gz WPPJNDLJGIAVMH-GASCZTMLSA-N 0 0 326.278 4.147 10 0 EIAERN CCOC(=O)c1ccc(NC(=O)N(c2ccccc2)C(C)C)cc1 ZINC000048520916 564031762 /nfs/dbraw/zinc/03/17/62/564031762.db2.gz OSZQVRXAEPMVAZ-UHFFFAOYSA-N 0 0 326.396 4.310 10 0 EIAERN CCCC[C@@H]1CN(Cc2ccc(COC)o2)Cc2ccccc2O1 ZINC000014978249 564037125 /nfs/dbraw/zinc/03/71/25/564037125.db2.gz HNKGOEUQEUFEHD-QGZVFWFLSA-N 0 0 329.440 4.379 10 0 EIAERN CCOC(=O)c1nc2ccccc2c(N(C)c2ccc(C)c(C)c2)n1 ZINC000015784042 564074180 /nfs/dbraw/zinc/07/41/80/564074180.db2.gz OYPHBQITONRCKX-UHFFFAOYSA-N 0 0 335.407 4.191 10 0 EIAERN Cc1ccc(C(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1C ZINC000224282013 564089005 /nfs/dbraw/zinc/08/90/05/564089005.db2.gz DQNIKURCRDQNJD-UHFFFAOYSA-N 0 0 337.354 4.277 10 0 EIAERN CCc1ccccc1N(C)C(=O)c1cccc2c1SCCC2=O ZINC000006841559 564099398 /nfs/dbraw/zinc/09/93/98/564099398.db2.gz JLCKTHXFSVVHQL-UHFFFAOYSA-N 0 0 325.433 4.204 10 0 EIAERN CCOC(=O)c1sc(Br)cc1C1CC(F)(F)C1 ZINC000675057897 564112147 /nfs/dbraw/zinc/11/21/47/564112147.db2.gz NINTYKPMLPYJKV-UHFFFAOYSA-N 0 0 325.174 4.200 10 0 EIAERN Nc1ccc(N2CCCCC2)c(NC(=O)Cc2ccc(Cl)cc2)c1 ZINC000226253842 564117278 /nfs/dbraw/zinc/11/72/78/564117278.db2.gz RXUVASUWIGJMMB-UHFFFAOYSA-N 0 0 343.858 4.094 10 0 EIAERN CCN(C(=O)C(F)(F)F)c1ccc(N2CCCCC2)c(Cl)c1 ZINC000226284863 564117283 /nfs/dbraw/zinc/11/72/83/564117283.db2.gz BRWWIPTYJHLLLG-UHFFFAOYSA-N 0 0 334.769 4.246 10 0 EIAERN CC[C@@H](C)[C@@H](NC(=O)C1CCC1)c1nc(-c2cccc(Cl)c2)no1 ZINC000096276030 564146248 /nfs/dbraw/zinc/14/62/48/564146248.db2.gz MHDIMELTTBKUCS-IAQYHMDHSA-N 0 0 347.846 4.394 10 0 EIAERN CC(C)(C)OC(=O)N(CC(=O)CCC(F)(F)F)Cc1ccccc1 ZINC000685960425 564177141 /nfs/dbraw/zinc/17/71/41/564177141.db2.gz KUEOCUOUUUTXRR-UHFFFAOYSA-N 0 0 345.361 4.335 10 0 EIAERN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)CCCOCc1ccccc1 ZINC000405576869 564177592 /nfs/dbraw/zinc/17/75/92/564177592.db2.gz IBHZELAMWHDWAF-MRXNPFEDSA-N 0 0 349.471 4.056 10 0 EIAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3cccc(OC)c3)C2)cc1 ZINC000120792651 1032416189 /nfs/dbraw/zinc/41/61/89/1032416189.db2.gz WDYMUKOIGWWLCK-GOEBONIOSA-N 0 0 340.423 4.114 10 0 EIAERN O=C(Nc1cc(Cl)ccc1Cl)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128207518 1023894603 /nfs/dbraw/zinc/89/46/03/1023894603.db2.gz BITCDUODBNDLLS-BDJLRTHQSA-N 0 0 343.254 4.152 10 0 EIAERN Cc1cc(NC(=O)N2CC[C@H](C)C[C@H](C)C2)ccc1C(=O)NC(C)C ZINC000123097527 1026687857 /nfs/dbraw/zinc/68/78/57/1026687857.db2.gz NWTSIHSTJCGFBR-GJZGRUSLSA-N 0 0 345.487 4.033 10 0 EIAERN Cc1ccnc(-c2ccc(NC(=O)N3CC[C@@H](C)C[C@H](C)C3)cc2)n1 ZINC000124131902 1026785708 /nfs/dbraw/zinc/78/57/08/1026785708.db2.gz DPDATFRWMQUOOI-CABCVRRESA-N 0 0 338.455 4.352 10 0 EIAERN Cc1ccccc1[C@H](NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)C(C)C ZINC000124387698 1026812011 /nfs/dbraw/zinc/81/20/11/1026812011.db2.gz NFOMVXQHNMLDPI-QFUCXCTJSA-N 0 0 344.499 4.029 10 0 EIAERN CO[C@H](C)c1cccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000114813917 1027839469 /nfs/dbraw/zinc/83/94/69/1027839469.db2.gz NBRIZWOHVKHUOY-UKRRQHHQSA-N 0 0 345.468 4.262 10 0 EIAERN Cc1cc([C@H](C)NC(=O)N2CCC[C@@H](c3nccs3)C2)c(C)o1 ZINC000114826645 1027841118 /nfs/dbraw/zinc/84/11/18/1027841118.db2.gz FXAAQDXAZXMPRW-GXTWGEPZSA-N 0 0 333.457 4.003 10 0 EIAERN Cc1cc(C)c(NC(=O)N2CCC[C@H](c3nccs3)C2)c(C)c1 ZINC000114804320 1029612207 /nfs/dbraw/zinc/61/22/07/1029612207.db2.gz HCZPDDNOJIXYIM-HNNXBMFYSA-N 0 0 329.469 4.480 10 0 EIAERN O=C(Nc1ccc(Cl)cc1F)N1CCC[C@@H](c2nccs2)C1 ZINC000114805124 1029613451 /nfs/dbraw/zinc/61/34/51/1029613451.db2.gz WPZLECBKRKBQAZ-SNVBAGLBSA-N 0 0 339.823 4.347 10 0 EIAERN O=C(Nc1cccc(Cl)c1F)N1CCC[C@@H](c2nccs2)C1 ZINC000114806086 1029616827 /nfs/dbraw/zinc/61/68/27/1029616827.db2.gz GYHDRFLZOVXKCM-SNVBAGLBSA-N 0 0 339.823 4.347 10 0 EIAERN Cc1csc(C2CCN(C(=O)c3cc(C)n(C4CC4)c3C)CC2)n1 ZINC000102646408 1031259536 /nfs/dbraw/zinc/25/95/36/1031259536.db2.gz HWDBZHMZHYPTLR-UHFFFAOYSA-N 0 0 343.496 4.225 10 0 EIAERN CC(C)(C)[C@@H](NC(=O)N1CCCC[C@H]1c1ncc[nH]1)c1cccs1 ZINC000106537356 1031273624 /nfs/dbraw/zinc/27/36/24/1031273624.db2.gz JBWLVSMZFMRASH-ZFWWWQNUSA-N 0 0 346.500 4.495 10 0 EIAERN C[C@@H](NC(=O)N1CC=C(c2cccs2)CC1)c1cccc(O)c1 ZINC000118075327 1031343325 /nfs/dbraw/zinc/34/33/25/1031343325.db2.gz WXYQBEKDLYDKBD-CYBMUJFWSA-N 0 0 328.437 4.014 10 0 EIAERN Cc1cc(C(=O)N2CCCC[C@@H]2c2nccs2)c(C)n1C1CC1 ZINC000115366944 1031381439 /nfs/dbraw/zinc/38/14/39/1031381439.db2.gz NZRXHQCCUSUAIM-MRXNPFEDSA-N 0 0 329.469 4.264 10 0 EIAERN C[C@H](NC(=O)[C@]1(C)CC1(Cl)Cl)c1ncc(-c2ccccc2)o1 ZINC000126322447 1031644452 /nfs/dbraw/zinc/64/44/52/1031644452.db2.gz WAANWBIHULRWFI-BONVTDFDSA-N 0 0 339.222 4.103 10 0 EIAERN Cc1cn2c(CN3CCCC[C@@H]3c3nccs3)c(C)nc2s1 ZINC000127715215 1031706509 /nfs/dbraw/zinc/70/65/09/1031706509.db2.gz CNMIKXVJDCLOII-CYBMUJFWSA-N 0 0 332.498 4.196 10 0 EIAERN Cc1ccc(NC(=O)[C@@]2(C)CC2(Cl)Cl)cc1-c1ncco1 ZINC000128019552 1031720544 /nfs/dbraw/zinc/72/05/44/1031720544.db2.gz YGELJGYMXDUGOA-CQSZACIVSA-N 0 0 325.195 4.172 10 0 EIAERN CC[C@H](NC(=O)N1CC=C(c2ccccc2)CC1)c1c(C)noc1C ZINC000129651587 1031808706 /nfs/dbraw/zinc/80/87/06/1031808706.db2.gz MXYHFOONIOKFMU-SFHVURJKSA-N 0 0 339.439 4.241 10 0 EIAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2C[C@H](C)[C@H]2c2ccccc2)n1 ZINC000120031749 1032014562 /nfs/dbraw/zinc/01/45/62/1032014562.db2.gz ZADNZWAEVPFICL-GUYCJALGSA-N 0 0 347.409 4.310 10 0 EIAERN CCCCCC(C)(C)C(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000084551506 1038793588 /nfs/dbraw/zinc/79/35/88/1038793588.db2.gz IQXCUFTVOHTTSP-UHFFFAOYSA-N 0 0 331.504 4.082 10 0 EIAERN CC(=O)c1ccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)cc1C ZINC000089449091 1039055451 /nfs/dbraw/zinc/05/54/51/1039055451.db2.gz RNAVQJLNGKVNEX-CQSZACIVSA-N 0 0 343.452 4.066 10 0 EIAERN Clc1ccc([C@@H](NCc2cccc3[nH]ccc32)c2ncon2)cc1 ZINC000090202503 1039200813 /nfs/dbraw/zinc/20/08/13/1039200813.db2.gz NXFWPKBZSIAVIU-QGZVFWFLSA-N 0 0 338.798 4.084 10 0 EIAERN CSc1ccc(CN[C@H](c2ncon2)c2ccc(Cl)cc2)cc1 ZINC000090202437 1039202324 /nfs/dbraw/zinc/20/23/24/1039202324.db2.gz OCHUEXXSHGEBOT-INIZCTEOSA-N 0 0 345.855 4.324 10 0 EIAERN C[C@@H]1CC(Nc2cccc(-c3nnc4n3CCCCC4)c2)C[C@@H](C)O1 ZINC000092143483 1039480935 /nfs/dbraw/zinc/48/09/35/1039480935.db2.gz KXLJBBKKZGMOTR-HUUCEWRRSA-N 0 0 340.471 4.039 10 0 EIAERN CC(=O)Nc1cccc(NC(=O)N2CC=C(c3ccccc3)CC2)c1C ZINC000076102648 1045872965 /nfs/dbraw/zinc/87/29/65/1045872965.db2.gz JPXOQNGVIMAIPG-UHFFFAOYSA-N 0 0 349.434 4.275 10 0 EIAERN COc1cc(OC)cc([C@H]2CCN(C(=O)Nc3ccc(C)cc3)C2)c1 ZINC000081166256 1046911265 /nfs/dbraw/zinc/91/12/65/1046911265.db2.gz JJJTVNQVVKNHIE-HNNXBMFYSA-N 0 0 340.423 4.034 10 0 EIAERN CCCc1nc(N)sc1Cc1ccc(F)cc1Br ZINC000050266567 214052198 /nfs/dbraw/zinc/05/21/98/214052198.db2.gz QRYWUKARDFCMPO-UHFFFAOYSA-N 0 0 329.238 4.170 10 0 EIAERN CCc1ccc([C@@H](CO)Nc2ccccc2Br)s1 ZINC000051720981 214102180 /nfs/dbraw/zinc/10/21/80/214102180.db2.gz SQAPGSAJWYQFHG-CYBMUJFWSA-N 0 0 326.259 4.219 10 0 EIAERN Cc1ccc(F)cc1[C@H](O)Cc1ccc(F)c(Br)c1 ZINC000052138869 214120138 /nfs/dbraw/zinc/12/01/38/214120138.db2.gz FOKIEOJACSXNGT-OAHLLOKOSA-N 0 0 327.168 4.312 10 0 EIAERN O=C(CCc1cc(F)ccc1F)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000052997632 214159919 /nfs/dbraw/zinc/15/99/19/214159919.db2.gz GPSVPOFWMAYNBC-AAEUAGOBSA-N 0 0 335.316 4.135 10 0 EIAERN Cc1cc([C@H](O)Cc2ccc(Br)cc2F)ccc1F ZINC000053785195 214198261 /nfs/dbraw/zinc/19/82/61/214198261.db2.gz FQYZKYOBWKDFHC-OAHLLOKOSA-N 0 0 327.168 4.312 10 0 EIAERN COc1ccc(Cl)cc1[C@@H](O)Cc1cccc(Br)c1 ZINC000055202247 214288323 /nfs/dbraw/zinc/28/83/23/214288323.db2.gz NQAQSXOITJYWCR-AWEZNQCLSA-N 0 0 341.632 4.387 10 0 EIAERN Fc1ccc(N2N=C(c3ccccc3)NN2c2ccc(F)cc2)cc1 ZINC000098045318 219073085 /nfs/dbraw/zinc/07/30/85/219073085.db2.gz OCJXVXLJIUQWTE-UHFFFAOYSA-N 0 0 336.345 4.073 10 0 EIAERN O=Cc1ccc(OCCCCCCOc2ccc(C=O)cc2)cc1 ZINC000004566132 210222299 /nfs/dbraw/zinc/22/22/99/210222299.db2.gz ZSIVOFNVHLOMBY-UHFFFAOYSA-N 0 0 326.392 4.330 10 0 EIAERN COc1ccc2oc(NC(=O)c3ccccc3)c(Br)c2c1 ZINC000098177771 219086640 /nfs/dbraw/zinc/08/66/40/219086640.db2.gz QMFKWANYAHBYKA-UHFFFAOYSA-N 0 0 346.180 4.456 10 0 EIAERN CCOC(=O)c1cccc(NC=C2SC(=O)c3ccccc32)c1 ZINC000100210479 219094162 /nfs/dbraw/zinc/09/41/62/219094162.db2.gz ABAWIBMGISYXMO-LFIBNONCSA-N 0 0 325.389 4.161 10 0 EIAERN O=C(/C=C\c1ccccc1)NCc1cc(C2CC2)n(C2CCCC2)n1 ZINC000101323225 219122435 /nfs/dbraw/zinc/12/24/35/219122435.db2.gz FXESIPHNRVFXAW-RAXLEYEMSA-N 0 0 335.451 4.205 10 0 EIAERN CC(C)(C)C(=O)N1CCC[C@H](c2ccnc(-c3cccc(F)c3)n2)C1 ZINC000065135765 214831223 /nfs/dbraw/zinc/83/12/23/214831223.db2.gz GJGBIHGVSSFDAL-HNNXBMFYSA-N 0 0 341.430 4.035 10 0 EIAERN CCCCOc1c(OC)cc(C=O)cc1Oc1ccc(OC)cc1 ZINC000004227238 210149206 /nfs/dbraw/zinc/14/92/06/210149206.db2.gz BWWSZPQNSJCFIU-UHFFFAOYSA-N 0 0 330.380 4.488 10 0 EIAERN CC[C@@H](c1cccc(Cl)c1)n1nc(C)c(Br)c1N ZINC000043668364 213591166 /nfs/dbraw/zinc/59/11/66/213591166.db2.gz AXKIGDRFTZKVBY-NSHDSACASA-N 0 0 328.641 4.189 10 0 EIAERN NNc1cc(C(F)(F)F)nc2c(Cl)cc(Cl)c(Cl)c12 ZINC000104000315 219337243 /nfs/dbraw/zinc/33/72/43/219337243.db2.gz DVLGDNMHTAZZBT-UHFFFAOYSA-N 0 0 330.524 4.499 10 0 EIAERN CNc1cc(C(C)(C)C)[nH+]c2ccc(I)cc12 ZINC000103972614 219333849 /nfs/dbraw/zinc/33/38/49/219333849.db2.gz RAFXWOGVLQUYEW-UHFFFAOYSA-N 0 0 340.208 4.179 10 0 EIAERN COc1cc(Nc2ccc(C)c(Br)c2)c(N)cc1F ZINC000104143444 219351160 /nfs/dbraw/zinc/35/11/60/219351160.db2.gz SUPQQZOBWDAZLN-UHFFFAOYSA-N 0 0 325.181 4.231 10 0 EIAERN Cc1c(Cl)nc(Cc2cccc(Br)c2)nc1Cl ZINC000104137505 219351191 /nfs/dbraw/zinc/35/11/91/219351191.db2.gz FBPPAJUZERWZNA-UHFFFAOYSA-N 0 0 332.028 4.445 10 0 EIAERN Nc1cc(F)c(OCc2ccc(F)cc2Br)cc1F ZINC000104136326 219350685 /nfs/dbraw/zinc/35/06/85/219350685.db2.gz LZUVZTRGALCAIM-UHFFFAOYSA-N 0 0 332.119 4.028 10 0 EIAERN C[C@H]1CCCC[C@@H]1OC(=O)c1cc(Br)cnc1Cl ZINC000104147658 219353668 /nfs/dbraw/zinc/35/36/68/219353668.db2.gz KOTZPCKHLVYKDI-KWQFWETISA-N 0 0 332.625 4.233 10 0 EIAERN CCC[C@H](C)COc1c(Br)cc(C=O)cc1OCC ZINC000104184312 219356984 /nfs/dbraw/zinc/35/69/84/219356984.db2.gz RTJIFYKZPOBYDL-NSHDSACASA-N 0 0 329.234 4.475 10 0 EIAERN CCC1(CC)CCN(c2cc(Br)ccc2CO)CC1 ZINC000104185793 219357071 /nfs/dbraw/zinc/35/70/71/219357071.db2.gz TWFYMFAQYYDOKT-UHFFFAOYSA-N 0 0 326.278 4.348 10 0 EIAERN COc1ccc([C@@H](O)c2sccc2Br)cc1Cl ZINC000104284536 219368951 /nfs/dbraw/zinc/36/89/51/219368951.db2.gz QCHCYECAVBKJTH-LLVKDONJSA-N 0 0 333.634 4.254 10 0 EIAERN COc1ccc(Nc2ncnc(Nc3ccccc3Cl)c2N)cc1 ZINC000040781283 213385843 /nfs/dbraw/zinc/38/58/43/213385843.db2.gz SUIQFVMUHNJZOF-UHFFFAOYSA-N 0 0 341.802 4.208 10 0 EIAERN Nc1c(NCc2ccco2)ncnc1Nc1ccc(C(F)(F)F)cc1 ZINC000040761422 213384759 /nfs/dbraw/zinc/38/47/59/213384759.db2.gz HQMKJWBZSPKQTA-UHFFFAOYSA-N 0 0 349.316 4.026 10 0 EIAERN Cc1ccc(Oc2ncnc(Nc3ccc(Cl)cn3)c2N)cc1C ZINC000040779641 213386221 /nfs/dbraw/zinc/38/62/21/213386221.db2.gz IDRPJSXIJNKIIA-UHFFFAOYSA-N 0 0 341.802 4.260 10 0 EIAERN Nc1c(Nc2ccc(Cl)cc2)ncnc1Nc1ccc(Cl)cn1 ZINC000040779353 213386237 /nfs/dbraw/zinc/38/62/37/213386237.db2.gz LSEKYLGQHHUDBP-UHFFFAOYSA-N 0 0 347.209 4.248 10 0 EIAERN Nc1c(Nc2nccs2)ncnc1Nc1cccc2ccccc21 ZINC000040758865 213383503 /nfs/dbraw/zinc/38/35/03/213383503.db2.gz SUWRFVAMDRGPCD-UHFFFAOYSA-N 0 0 334.408 4.156 10 0 EIAERN Cc1ccc(Oc2ncnc(Nc3cccc4cccnc43)c2N)cc1 ZINC000040758416 213383226 /nfs/dbraw/zinc/38/32/26/213383226.db2.gz IAPPPSJJNJZQCF-UHFFFAOYSA-N 0 0 343.390 4.451 10 0 EIAERN Cc1ccc(Oc2ncnc(N(CC(C)C)CC(C)C)c2N)cc1 ZINC000040735811 213378863 /nfs/dbraw/zinc/37/88/63/213378863.db2.gz KZRNGWSYJCTZHA-UHFFFAOYSA-N 0 0 328.460 4.278 10 0 EIAERN Nc1c(Oc2cccnc2)ncnc1Sc1ccc(Cl)cc1 ZINC000040723097 213376359 /nfs/dbraw/zinc/37/63/59/213376359.db2.gz KOQBZKMKWHFXBE-UHFFFAOYSA-N 0 0 330.800 4.051 10 0 EIAERN Nc1c(NCc2ccccc2)ncnc1Nc1ccc(F)c(Cl)c1 ZINC000040709349 213373184 /nfs/dbraw/zinc/37/31/84/213373184.db2.gz VUQUTUAMKIEKTM-UHFFFAOYSA-N 0 0 343.793 4.207 10 0 EIAERN Nc1c(Nc2cc(Cl)cc(Cl)c2)ncnc1NC1CCCC1 ZINC000040701153 213371956 /nfs/dbraw/zinc/37/19/56/213371956.db2.gz SNHAKYASZVQGKB-UHFFFAOYSA-N 0 0 338.242 4.464 10 0 EIAERN Cc1cccc(Nc2ncnc(Oc3ccc4ccccc4c3)c2N)n1 ZINC000040685225 213369713 /nfs/dbraw/zinc/36/97/13/213369713.db2.gz DYPQPRIINCFUNS-UHFFFAOYSA-N 0 0 343.390 4.451 10 0 EIAERN Cc1c(Cl)cccc1Nc1ncnc(N2CCCCCC2)c1N ZINC000040701500 213371370 /nfs/dbraw/zinc/37/13/70/213371370.db2.gz AWYCUMYUCBNABI-UHFFFAOYSA-N 0 0 331.851 4.145 10 0 EIAERN COc1ccc(Oc2ncnc(Oc3cc(C)cc(C)c3)c2N)cc1 ZINC000040681659 213368592 /nfs/dbraw/zinc/36/85/92/213368592.db2.gz RQGXBGVMRZCPFA-UHFFFAOYSA-N 0 0 337.379 4.269 10 0 EIAERN Cc1cc(C)cc(Nc2ncnc(Nc3ccc(Cl)cn3)c2N)c1 ZINC000040681972 213368053 /nfs/dbraw/zinc/36/80/53/213368053.db2.gz CCGAAFJXOXYXHF-UHFFFAOYSA-N 0 0 340.818 4.211 10 0 EIAERN COc1ccc(OC)c(/C=C/C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000001904187 209804249 /nfs/dbraw/zinc/80/42/49/209804249.db2.gz ZABGQSUDSJUHSG-FPYGCLRLSA-N 0 0 335.762 4.148 10 0 EIAERN OCCCn1c(COc2ccc3ccccc3c2)nc2ccccc21 ZINC000040389341 213297064 /nfs/dbraw/zinc/29/70/64/213297064.db2.gz XXCDQMFFUPXMQL-UHFFFAOYSA-N 0 0 332.403 4.151 10 0 EIAERN O=C(Cc1cc(-c2ccccc2)no1)Nc1cccc2cccnc21 ZINC000040326053 213291828 /nfs/dbraw/zinc/29/18/28/213291828.db2.gz PHNOXWQNPKTKMM-UHFFFAOYSA-N 0 0 329.359 4.071 10 0 EIAERN CCCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@H]1c1ccc(C)cc1 ZINC000040336361 213292333 /nfs/dbraw/zinc/29/23/33/213292333.db2.gz VMJQFYWSXDYQSG-HXUWFJFHSA-N 0 0 331.419 4.340 10 0 EIAERN COC(=O)Cn1c(/C=C/c2ccc(Cl)cc2)nc2ccccc21 ZINC000040238619 213283327 /nfs/dbraw/zinc/28/33/27/213283327.db2.gz LHRGCHIYYFPDQH-DHZHZOJOSA-N 0 0 326.783 4.033 10 0 EIAERN CCCCCCn1c(CCCNC(=O)CCC)nc2ccccc21 ZINC000040204433 213281628 /nfs/dbraw/zinc/28/16/28/213281628.db2.gz QOGWRRBWXHZTRZ-UHFFFAOYSA-N 0 0 329.488 4.466 10 0 EIAERN O=c1ccc2c(ccn2Cc2ccc(Cl)cc2)n1-c1ccccc1 ZINC000038693536 213220972 /nfs/dbraw/zinc/22/09/72/213220972.db2.gz UUCWSJDSSRZZJZ-UHFFFAOYSA-N 0 0 334.806 4.494 10 0 EIAERN O=C(NC1CCC(C(F)(F)F)CC1)c1cnc(Cl)c(Cl)c1 ZINC000037981392 213180721 /nfs/dbraw/zinc/18/07/21/213180721.db2.gz PUJLKYIUDSMCLZ-UHFFFAOYSA-N 0 0 341.160 4.239 10 0 EIAERN CC(C)C[C@H](C)N(C)C(=O)c1cc(Br)cn1C1CC1 ZINC000037845158 213169903 /nfs/dbraw/zinc/16/99/03/213169903.db2.gz OZUFAWNYJGZLCQ-NSHDSACASA-N 0 0 327.266 4.092 10 0 EIAERN COc1cc(Br)cc(C)c1NCc1csc(C)n1 ZINC000037776823 213166787 /nfs/dbraw/zinc/16/67/87/213166787.db2.gz HBYIDYKRLBXQSG-UHFFFAOYSA-N 0 0 327.247 4.143 10 0 EIAERN Nc1ncc(Cc2ccc(Br)cc2C(F)(F)F)s1 ZINC000037519061 213153093 /nfs/dbraw/zinc/15/30/93/213153093.db2.gz GMJVPQWINFPDRD-UHFFFAOYSA-N 0 0 337.164 4.097 10 0 EIAERN Cc1ccc(Br)cc1NC(=O)c1ccc(Cl)cc1N ZINC000037367785 213141621 /nfs/dbraw/zinc/14/16/21/213141621.db2.gz HILVCVDVJGZXSR-UHFFFAOYSA-N 0 0 339.620 4.245 10 0 EIAERN Nc1n[nH]c(-c2ccc(Br)s2)c1-c1ccc(F)cc1 ZINC000037348873 213140594 /nfs/dbraw/zinc/14/05/94/213140594.db2.gz YBZUKGPRHKWSOJ-UHFFFAOYSA-N 0 0 338.205 4.289 10 0 EIAERN COC(=O)c1ccc(Cl)cc1NCc1ccc(Br)o1 ZINC000036952386 213127635 /nfs/dbraw/zinc/12/76/35/213127635.db2.gz FLPFIOCSWFBRGE-UHFFFAOYSA-N 0 0 344.592 4.094 10 0 EIAERN Cc1cccc(N)c1C(=O)Nc1ccc(Br)cc1Cl ZINC000036963594 213127717 /nfs/dbraw/zinc/12/77/17/213127717.db2.gz JTFYXGQUMGBPHF-UHFFFAOYSA-N 0 0 339.620 4.245 10 0 EIAERN CN[C@H](c1ccc(Br)o1)c1ccc(OC)cc1Cl ZINC000036768280 213117471 /nfs/dbraw/zinc/11/74/71/213117471.db2.gz YGLUPDWTOINDMQ-ZDUSSCGKSA-N 0 0 330.609 4.013 10 0 EIAERN Nc1ccc(NC(=O)Nc2cccc(Cl)c2)c(Br)c1 ZINC000036744270 213115880 /nfs/dbraw/zinc/11/58/80/213115880.db2.gz KCMVDPKQIRHDRB-UHFFFAOYSA-N 0 0 340.608 4.329 10 0 EIAERN Nc1ccc(Cl)c(NC(=O)c2cc(F)ccc2Br)c1 ZINC000036737685 213114788 /nfs/dbraw/zinc/11/47/88/213114788.db2.gz NYMZSLLFWQYTGD-UHFFFAOYSA-N 0 0 343.583 4.076 10 0 EIAERN Cc1c(C(=O)Oc2cccc(C)c2)nnn1-c1cccc(Cl)c1C ZINC000036639104 213106291 /nfs/dbraw/zinc/10/62/91/213106291.db2.gz SVKDZBFCPUZWAQ-UHFFFAOYSA-N 0 0 341.798 4.065 10 0 EIAERN Cc1c(C(=O)Oc2ccc(C)cc2)nnn1-c1ccc(C(C)C)cc1 ZINC000036638985 213106079 /nfs/dbraw/zinc/10/60/79/213106079.db2.gz OUXGCRBQFXUICL-UHFFFAOYSA-N 0 0 335.407 4.227 10 0 EIAERN Nc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12 ZINC000036176941 213074142 /nfs/dbraw/zinc/07/41/42/213074142.db2.gz UXMNYFJHEBEDJS-UHFFFAOYSA-N 0 0 343.390 4.456 10 0 EIAERN CCN(Cc1cc(-c2ccc(OC)cc2)on1)C(=O)c1cccs1 ZINC000036004645 213055411 /nfs/dbraw/zinc/05/54/11/213055411.db2.gz GTEYZSJIEYEFRK-UHFFFAOYSA-N 0 0 342.420 4.074 10 0 EIAERN O=C1CS[C@H](c2c(Cl)cccc2Cl)N1Cc1ccco1 ZINC000034086332 212974012 /nfs/dbraw/zinc/97/40/12/212974012.db2.gz RDGDIVQKAVGUJX-CQSZACIVSA-N 0 0 328.220 4.361 10 0 EIAERN OC1(c2ccccc2)CCN(C(=S)Nc2ccc(Cl)cc2)CC1 ZINC000033854454 212966268 /nfs/dbraw/zinc/96/62/68/212966268.db2.gz VHMKMHMOVDJURA-UHFFFAOYSA-N 0 0 346.883 4.020 10 0 EIAERN CCOC(=O)c1sc(-c2ccccc2)nc1NC(=O)OC(C)(C)C ZINC000071864381 215894076 /nfs/dbraw/zinc/89/40/76/215894076.db2.gz OHWCTEGKGDJREA-UHFFFAOYSA-N 0 0 348.424 4.334 10 0 EIAERN Nc1c2ccccc2c(C(=O)c2ccccc2)n1C(=O)c1ccccc1 ZINC000032642724 212821258 /nfs/dbraw/zinc/82/12/58/212821258.db2.gz IKPDIJXXAUHWRX-UHFFFAOYSA-N 0 0 340.382 4.143 10 0 EIAERN Cc1cc(=O)n(CC(=O)Nc2ccc3ccccc3c2)c2ccccc12 ZINC000032530292 212808415 /nfs/dbraw/zinc/80/84/15/212808415.db2.gz QRZZEHIJSOGLFE-UHFFFAOYSA-N 0 0 342.398 4.102 10 0 EIAERN Nc1cc(F)cc(Br)c1OCc1cccc(Cl)c1 ZINC000037288816 213139247 /nfs/dbraw/zinc/13/92/47/213139247.db2.gz FZYJIGFOGAHNBZ-UHFFFAOYSA-N 0 0 330.584 4.403 10 0 EIAERN CC(C)CCNC(=O)[C@H](C)Nc1ccc(Br)cc1Cl ZINC000037392397 213143728 /nfs/dbraw/zinc/14/37/28/213143728.db2.gz MJNOWRGIVCHFJX-JTQLQIEISA-N 0 0 347.684 4.065 10 0 EIAERN O[C@H](Cc1ccc(Br)cc1)Cc1cccc(Cl)c1 ZINC000037532499 213154259 /nfs/dbraw/zinc/15/42/59/213154259.db2.gz HUQQAVOSHSMWPR-OAHLLOKOSA-N 0 0 325.633 4.249 10 0 EIAERN Oc1ccc(F)cc1-c1cc(NCc2ccccn2)nc2[nH]ccc21 ZINC000072409618 216201212 /nfs/dbraw/zinc/20/12/12/216201212.db2.gz SCATWCIBPQLYLX-UHFFFAOYSA-N 0 0 334.354 4.082 10 0 EIAERN O[C@@H](CNc1cc(Br)ccc1F)c1ccccc1Cl ZINC000037891774 213172681 /nfs/dbraw/zinc/17/26/81/213172681.db2.gz LSWINSCBSAUCMT-AWEZNQCLSA-N 0 0 344.611 4.387 10 0 EIAERN O=C(Nc1ccccc1)c1ccc(-c2ccc3ccccc3c2)[nH]c1=O ZINC000072450672 216238484 /nfs/dbraw/zinc/23/84/84/216238484.db2.gz BDOKOZDLVLZVPC-UHFFFAOYSA-N 0 0 340.382 4.447 10 0 EIAERN CCc1cc(NCc2ccc3ccccc3n2)n2nc(C)c(C)c2n1 ZINC000072448050 216237786 /nfs/dbraw/zinc/23/77/86/216237786.db2.gz XEOPFJQYRDICAM-UHFFFAOYSA-N 0 0 331.423 4.069 10 0 EIAERN Cc1nn(-c2cccc(F)c2)cc1-c1ccnc(-c2ccccc2)n1 ZINC000072462114 216244052 /nfs/dbraw/zinc/24/40/52/216244052.db2.gz ADIFDKBGGXBEAF-UHFFFAOYSA-N 0 0 330.366 4.444 10 0 EIAERN C[C@H](c1ccc(O)cc1)N(C)C(=O)c1ccc(Br)s1 ZINC000038090153 213201521 /nfs/dbraw/zinc/20/15/21/213201521.db2.gz RSNXAZHWDVKUCS-SECBINFHSA-N 0 0 340.242 4.049 10 0 EIAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(Cl)c1 ZINC000022620297 212312318 /nfs/dbraw/zinc/31/23/18/212312318.db2.gz MJJLKMGJIIGJMB-SUMWQHHRSA-N 0 0 344.842 4.123 10 0 EIAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(Cl)c1 ZINC000022620295 212311963 /nfs/dbraw/zinc/31/19/63/212311963.db2.gz MJJLKMGJIIGJMB-CXAGYDPISA-N 0 0 344.842 4.123 10 0 EIAERN CC(C)(C)c1ccc2c(c1)C[C@@H](CNC(=O)CCC1CCCC1)O2 ZINC000022315200 212288732 /nfs/dbraw/zinc/28/87/32/212288732.db2.gz BALPEIOCHPJPDK-SFHVURJKSA-N 0 0 329.484 4.374 10 0 EIAERN CC(=O)N(Cc1ccccc1)[C@@H](C(=S)NC1CCCCC1)C(C)C ZINC000022130336 212277961 /nfs/dbraw/zinc/27/79/61/212277961.db2.gz MUPZBSATNXPYNN-LJQANCHMSA-N 0 0 346.540 4.309 10 0 EIAERN Nc1ccc(Cc2ccc(N)cc2C(F)(F)F)c(C(F)(F)F)c1 ZINC000022007533 212270002 /nfs/dbraw/zinc/27/00/02/212270002.db2.gz YCOYQHAYYNGUCC-UHFFFAOYSA-N 0 0 334.263 4.479 10 0 EIAERN Nc1cc(Cl)ccc1NC(=O)c1ccc(F)cc1Br ZINC000021962004 212266743 /nfs/dbraw/zinc/26/67/43/212266743.db2.gz TZAMAIPDFWXULS-UHFFFAOYSA-N 0 0 343.583 4.076 10 0 EIAERN CC(C)(C)c1ccc(OCC(=O)Nc2ccc(N)cc2Cl)cc1 ZINC000227158401 242123926 /nfs/dbraw/zinc/12/39/26/242123926.db2.gz YIWFEWHKLDHRLU-UHFFFAOYSA-N 0 0 332.831 4.237 10 0 EIAERN CCN(CC)c1ccc(N)cc1NC(=O)c1cc(Cl)ccc1OC ZINC000226261424 242093153 /nfs/dbraw/zinc/09/31/53/242093153.db2.gz UWDNNPXWRUYUOG-UHFFFAOYSA-N 0 0 347.846 4.029 10 0 EIAERN C[C@@H]1CCCCN1c1ccc(N)cc1NC(=O)c1ccccc1F ZINC000226254642 242093425 /nfs/dbraw/zinc/09/34/25/242093425.db2.gz JOURRSGNILXUQZ-CYBMUJFWSA-N 0 0 327.403 4.039 10 0 EIAERN CCN(C(=O)C(F)(F)F)c1ccc2nc(-c3ccccc3)oc2c1 ZINC000226283943 242094217 /nfs/dbraw/zinc/09/42/17/242094217.db2.gz INRVQGBNCOYFSC-UHFFFAOYSA-N 0 0 334.297 4.410 10 0 EIAERN COc1cc(NC(=O)c2cccc3ccccc32)cc2sc(N)nc21 ZINC000226311531 242096542 /nfs/dbraw/zinc/09/65/42/242096542.db2.gz LRSLJYXFVDFFGN-UHFFFAOYSA-N 0 0 349.415 4.293 10 0 EIAERN CCOc1ccc(NC(=O)c2ccc(-c3ccccc3F)o2)c(N)c1 ZINC000226348157 242099259 /nfs/dbraw/zinc/09/92/59/242099259.db2.gz FWSWPKFWORJSPG-UHFFFAOYSA-N 0 0 340.354 4.319 10 0 EIAERN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(C)cc1N ZINC000226349730 242099388 /nfs/dbraw/zinc/09/93/88/242099388.db2.gz GTKBMWNRGJEHKN-UHFFFAOYSA-N 0 0 325.195 4.145 10 0 EIAERN C[C@@H](Oc1ccccc1)c1[nH]nc2c1CN(Cc1ccsc1)CC2 ZINC000020920014 212187816 /nfs/dbraw/zinc/18/78/16/212187816.db2.gz JUDKSQOXEBXWQU-CQSZACIVSA-N 0 0 339.464 4.170 10 0 EIAERN CNc1ccc(Br)cc1C(=O)N(CC(C)C)CC(C)C ZINC000255187581 244046285 /nfs/dbraw/zinc/04/62/85/244046285.db2.gz FLMRWWJUBCXWKL-UHFFFAOYSA-N 0 0 341.293 4.245 10 0 EIAERN CC(C)NC(=O)c1cc(Br)ccc1NCc1ccccc1 ZINC000255190070 244048152 /nfs/dbraw/zinc/04/81/52/244048152.db2.gz UUJFPCSDHDFBHQ-UHFFFAOYSA-N 0 0 347.256 4.199 10 0 EIAERN COc1cc(NC(=S)N(Cc2ccccn2)C2CC2)ccc1Cl ZINC000020228442 212114009 /nfs/dbraw/zinc/11/40/09/212114009.db2.gz VFPPZTNDUSHSMY-UHFFFAOYSA-N 0 0 347.871 4.105 10 0 EIAERN Brc1ccc(Oc2cccc(Br)c2)nc1 ZINC000019806528 212070603 /nfs/dbraw/zinc/07/06/03/212070603.db2.gz CQOVBYBRAZUDFX-UHFFFAOYSA-N 0 0 328.991 4.399 10 0 EIAERN Brc1ccc(Oc2ccccc2Br)nc1 ZINC000019504914 212035104 /nfs/dbraw/zinc/03/51/04/212035104.db2.gz MIPZTHUZBMLJNE-UHFFFAOYSA-N 0 0 328.991 4.399 10 0 EIAERN C[C@H](Nc1ncc(Br)cc1N)c1ccccc1Cl ZINC000049506666 214012458 /nfs/dbraw/zinc/01/24/58/214012458.db2.gz KGWDIPBLHPAKOA-QMMMGPOBSA-N 0 0 326.625 4.253 10 0 EIAERN Cc1cc([C@H](CO)Nc2ccc(Br)cc2)c(C)s1 ZINC000049688055 214027900 /nfs/dbraw/zinc/02/79/00/214027900.db2.gz KFHNWBXHAXHGJX-AWEZNQCLSA-N 0 0 326.259 4.273 10 0 EIAERN Cc1ccc(C)c(CC(=O)N2C[C@@H](c3ccccc3)OCC2(C)C)c1 ZINC000078463749 217057069 /nfs/dbraw/zinc/05/70/69/217057069.db2.gz VTECLJKBUXMKSM-FQEVSTJZSA-N 0 0 337.463 4.225 10 0 EIAERN COCc1ccc(C(=O)N[C@H](C)c2ccccc2Br)cc1 ZINC000017964690 211976840 /nfs/dbraw/zinc/97/68/40/211976840.db2.gz FFSXGMQYRSPUAM-GFCCVEGCSA-N 0 0 348.240 4.087 10 0 EIAERN CCOc1ccc(CC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000017355730 211967197 /nfs/dbraw/zinc/96/71/97/211967197.db2.gz UCSOARVXYFBGEG-PFAOJVKKSA-N 0 0 341.495 4.349 10 0 EIAERN C[C@@H](NC(=O)c1ccc(N(C)C)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000017355777 211966877 /nfs/dbraw/zinc/96/68/77/211966877.db2.gz TZCHIYCYOCRQRQ-LFPRZYRFSA-N 0 0 326.484 4.087 10 0 EIAERN S=C(NC1CCCCC1)N(C[C@@H]1CCCO1)C[C@H]1CC=CCC1 ZINC000017070791 211951301 /nfs/dbraw/zinc/95/13/01/211951301.db2.gz NRYDHILURJZGGR-WMZOPIPTSA-N 0 0 336.545 4.031 10 0 EIAERN OC[C@@H](Nc1ccnc2cc(Br)ccc21)c1ccccc1 ZINC000078850387 217134302 /nfs/dbraw/zinc/13/43/02/217134302.db2.gz CIWUOWANHIPETP-QGZVFWFLSA-N 0 0 343.224 4.143 10 0 EIAERN c1ccc2c(c1)cccc2-c1n[nH]c2c1CN(Cc1cccnc1)CC2 ZINC000012433846 211380508 /nfs/dbraw/zinc/38/05/08/211380508.db2.gz BYQVOVKQJBPXIF-UHFFFAOYSA-N 0 0 340.430 4.183 10 0 EIAERN Cc1c(C(=O)OC(C)C)sc2ncnc(Nc3ccccc3F)c12 ZINC000012131744 211302190 /nfs/dbraw/zinc/30/21/90/211302190.db2.gz KPCIWKGVLKJKSA-UHFFFAOYSA-N 0 0 345.399 4.448 10 0 EIAERN COc1ccc(OCCC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000011637405 211227850 /nfs/dbraw/zinc/22/78/50/211227850.db2.gz RBXQNIPELBSPFD-UHFFFAOYSA-N 0 0 340.206 4.410 10 0 EIAERN Cc1ccc2n1CCN(C(=O)Nc1cc(F)ccc1F)[C@@H]2C(C)C ZINC000009528366 211098871 /nfs/dbraw/zinc/09/88/71/211098871.db2.gz HWBQEEDJTCQYRU-QGZVFWFLSA-N 0 0 333.382 4.320 10 0 EIAERN CCn1cc2c(n1)-c1c(C)c(C(=O)Nc3ccc(C)cc3C)oc1CC2 ZINC000009406318 211080043 /nfs/dbraw/zinc/08/00/43/211080043.db2.gz CMEVPBCNCCCRRJ-UHFFFAOYSA-N 0 0 349.434 4.439 10 0 EIAERN CC(C)(C)OC(=O)N1CCC[C@@H](CCCOCc2ccccn2)C1 ZINC000095085091 218276445 /nfs/dbraw/zinc/27/64/45/218276445.db2.gz NPWUGAXBBINHAU-INIZCTEOSA-N 0 0 334.460 4.026 10 0 EIAERN CC(C)(C)OC(=O)N1CCC[C@@H](COc2nc3ccccc3s2)C1 ZINC000095085445 218276855 /nfs/dbraw/zinc/27/68/55/218276855.db2.gz ILDWTOVMEJUDRZ-CYBMUJFWSA-N 0 0 348.468 4.322 10 0 EIAERN CC(C)(C)OC(=O)N1CCCC[C@H]1COc1nc2ccccc2s1 ZINC000095086651 218277634 /nfs/dbraw/zinc/27/76/34/218277634.db2.gz BWSQHRGQYJNRKZ-ZDUSSCGKSA-N 0 0 348.468 4.465 10 0 EIAERN CC(C)(C)OC(=O)N1CCCC[C@H]1CCOc1nc2ccccc2o1 ZINC000095086373 218277674 /nfs/dbraw/zinc/27/76/74/218277674.db2.gz AWDNVCGCMRXOPQ-AWEZNQCLSA-N 0 0 346.427 4.386 10 0 EIAERN CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1nsc2ccccc21 ZINC000095075330 218272793 /nfs/dbraw/zinc/27/27/93/218272793.db2.gz BIEJZXPNVALFEP-ZDUSSCGKSA-N 0 0 347.484 4.132 10 0 EIAERN Cc1cc(C)nc(OCCC[C@@H]2CCCCN2C(=O)OC(C)(C)C)n1 ZINC000095089865 218279373 /nfs/dbraw/zinc/27/93/73/218279373.db2.gz DBOOEAAWBZGCJP-INIZCTEOSA-N 0 0 349.475 4.042 10 0 EIAERN Cc1cc(OCCn2c3ccccc3nc2C(C)(C)O)ccc1Cl ZINC000008785982 211007902 /nfs/dbraw/zinc/00/79/02/211007902.db2.gz LXVCXSQTFSSDBJ-UHFFFAOYSA-N 0 0 344.842 4.305 10 0 EIAERN CC(C)(C)OC(=O)NCCc1c[nH]c2ccc(OC(F)(F)F)cc12 ZINC000095616894 218445621 /nfs/dbraw/zinc/44/56/21/218445621.db2.gz BKAUGGPEGMHRFM-UHFFFAOYSA-N 0 0 344.333 4.134 10 0 EIAERN COc1ccc(CN(C(C)=O)c2cnccc2Oc2ccccc2)cc1 ZINC000095828695 218448803 /nfs/dbraw/zinc/44/88/03/218448803.db2.gz AGBMKOHXGPDCPD-UHFFFAOYSA-N 0 0 348.402 4.436 10 0 EIAERN CC(C)[C@H]1C(=O)Nc2ccc(Cl)cc2CN1C(=O)OC(C)(C)C ZINC000005963271 210568114 /nfs/dbraw/zinc/56/81/14/210568114.db2.gz HEECRYHEYZRIPN-AWEZNQCLSA-N 0 0 338.835 4.054 10 0 EIAERN COc1ccc(CCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000005676664 210514238 /nfs/dbraw/zinc/51/42/38/210514238.db2.gz SSSGOVUQYBCEMZ-PFAOJVKKSA-N 0 0 341.495 4.349 10 0 EIAERN CCOC(=O)N1CCC(=O)N(c2ccccc2)c2cc(Cl)ccc21 ZINC000000000965 208548320 /nfs/dbraw/zinc/54/83/20/208548320.db2.gz NXJWVCHVPUCWJS-UHFFFAOYSA-N 0 0 344.798 4.371 10 0 in-man EIAERN CCOC(=O)c1cnc2cc(Cl)c(OC(F)F)cc2c1Cl ZINC000095097577 257700661 /nfs/dbraw/zinc/70/06/61/257700661.db2.gz XDTFJYMSTCNHIP-UHFFFAOYSA-N 0 0 336.121 4.320 10 0 EIAERN COC(=O)c1c(N)scc1-c1ccc(-c2ccccc2OC)cc1 ZINC000299889294 257917277 /nfs/dbraw/zinc/91/72/77/257917277.db2.gz HCPZBRDZZBPCAH-UHFFFAOYSA-N 0 0 339.416 4.460 10 0 EIAERN CCCN(CCC)c1ccc(N)cc1C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000226323658 535327906 /nfs/dbraw/zinc/32/79/06/535327906.db2.gz RBGQUEQGSMFLFC-HOTGVXAUSA-N 0 0 331.504 4.013 10 0 EIAERN CCCN(CCC)c1ccc(N)cc1C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000226323654 535327928 /nfs/dbraw/zinc/32/79/28/535327928.db2.gz RBGQUEQGSMFLFC-HZPDHXFCSA-N 0 0 331.504 4.013 10 0 EIAERN COc1cc2c(cc1OC)-c1ccc3cc4c(cc3c1N(C)C2)OCO4 ZINC000001557254 560182184 /nfs/dbraw/zinc/18/21/84/560182184.db2.gz MTVOSXTZNVKGIF-UHFFFAOYSA-N 0 0 349.386 4.203 10 0 biogenic,in-vitro EIAERN COC[C@@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@@H]32)CC1=O ZINC000004726465 560199798 /nfs/dbraw/zinc/19/97/98/560199798.db2.gz WACMAERIMWMBMZ-BOQKZASQSA-N 0 0 348.527 4.222 10 0 in-vitro EIAERN CC1CCN(C(=O)c2cc(-c3ccc(C(C)(C)C)cc3)nn2C)CC1 ZINC000034903632 563481348 /nfs/dbraw/zinc/48/13/48/563481348.db2.gz QTDWEDARDSGIKL-UHFFFAOYSA-N 0 0 339.483 4.257 10 0 EIAERN C/C=C(\C)C(=O)NCc1ccc(-c2nc(-c3ccc(F)cc3)c[nH]2)cc1 ZINC000022654106 563532903 /nfs/dbraw/zinc/53/29/03/563532903.db2.gz PKXNHKNTFOURKZ-LZWSPWQCSA-N 0 0 349.409 4.465 10 0 EIAERN O=C(N[C@@]12CCC[C@@H]1[C@H]1CC[C@@H]2C1)N[C@]12CCC[C@@H]1[C@H]1CC[C@@H]2C1 ZINC000005638902 563543642 /nfs/dbraw/zinc/54/36/42/563543642.db2.gz OCLJVESFZXJORW-INVLVGEXSA-N 0 0 328.500 4.223 10 0 EIAERN COc1cc(/C=C/C(=O)Nc2ccc(C)cc2)cc(Cl)c1OC ZINC000014426848 563759017 /nfs/dbraw/zinc/75/90/17/563759017.db2.gz DRIWJODPISKFTD-RMKNXTFCSA-N 0 0 331.799 4.318 10 0 EIAERN CNC(=O)c1ccccc1C1c2ccccc2CCc2ccccc21 ZINC000048532927 563930613 /nfs/dbraw/zinc/93/06/13/563930613.db2.gz VOHIJOBOFSBCON-UHFFFAOYSA-N 0 0 327.427 4.325 10 0 EIAERN Cc1nn(C(C)C)cc1NCc1cc(Br)ccc1F ZINC000725242675 563975092 /nfs/dbraw/zinc/97/50/92/563975092.db2.gz UDFKKDKSQXPSLL-UHFFFAOYSA-N 0 0 326.213 4.286 10 0 EIAERN Cc1nn(C(C)C)cc1NCc1ccc(F)cc1Br ZINC000725242683 563975104 /nfs/dbraw/zinc/97/51/04/563975104.db2.gz VDQBVSNKPDLKGW-UHFFFAOYSA-N 0 0 326.213 4.286 10 0 EIAERN C[C@@]12CC[C@H]3[C@@H](CC[C@H]4Cc5n[nH]cc5C[C@@]43C)[C@@H]1CC[C@]2(C)O ZINC000256762617 563980775 /nfs/dbraw/zinc/98/07/75/563980775.db2.gz LKAJKIOFIWVMDJ-QOJGXCKPSA-N 0 0 328.500 4.118 10 0 EIAERN CC[C@@H](C)OC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1cccc(C)c1C ZINC000000136065 563996131 /nfs/dbraw/zinc/99/61/31/563996131.db2.gz KYPBUMIKKBOXAK-PVAVHDDUSA-N 0 0 329.440 4.166 10 0 EIAERN CC(C)(C)[C@H]1CCc2onc(C(=O)Nc3cc(Cl)ccc3O)c2C1 ZINC000000426606 563998557 /nfs/dbraw/zinc/99/85/57/563998557.db2.gz OLSKRICGLCKXCN-JTQLQIEISA-N 0 0 348.830 4.437 10 0 EIAERN O=c1[nH]c2c(-c3ccc(F)cc3)sc(=S)n2c2ccccc12 ZINC000015828621 564075740 /nfs/dbraw/zinc/07/57/40/564075740.db2.gz FAHXYVJVWKYWBK-UHFFFAOYSA-N 0 0 328.393 4.378 10 0 EIAERN Cc1nc(N(C)C)nc(C)c1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000224293600 564089055 /nfs/dbraw/zinc/08/90/55/564089055.db2.gz FLKNHAJNBFKVRP-UHFFFAOYSA-N 0 0 346.434 4.079 10 0 EIAERN CCOc1ccc([C@@H](C)NC(=O)c2ccc(-c3cccnc3)nc2)cc1 ZINC000065177888 564102320 /nfs/dbraw/zinc/10/23/20/564102320.db2.gz FJXAIBPMFQFKNS-OAHLLOKOSA-N 0 0 347.418 4.033 10 0 EIAERN CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000675055603 564111854 /nfs/dbraw/zinc/11/18/54/564111854.db2.gz VTXLJHKFHRECSZ-BXUZGUMPSA-N 0 0 345.270 4.311 10 0 EIAERN NC(=O)c1ccc(-c2cc(Cl)c(Br)cc2Cl)o1 ZINC000226244342 564117159 /nfs/dbraw/zinc/11/71/59/564117159.db2.gz IVIDIIKSXNCPBF-UHFFFAOYSA-N 0 0 334.984 4.115 10 0 EIAERN CC1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2N)CC1 ZINC000226266514 564117267 /nfs/dbraw/zinc/11/72/67/564117267.db2.gz SLIYQOUFGCCIPB-UHFFFAOYSA-N 0 0 343.858 4.411 10 0 EIAERN CC1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2N)CC1 ZINC000226266401 564117268 /nfs/dbraw/zinc/11/72/68/564117268.db2.gz LNCGFGORJYGJCF-UHFFFAOYSA-N 0 0 343.858 4.411 10 0 EIAERN CN1CCO[C@]12CC[C@@H]1[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000032105542 564129158 /nfs/dbraw/zinc/12/91/58/564129158.db2.gz CZGMCXMFKOCFDA-LMLDJKJJSA-N 0 0 347.543 4.048 10 0 EIAERN CN(CCc1ccccc1)C(=O)CCSCc1ccccc1F ZINC000003031691 564154537 /nfs/dbraw/zinc/15/45/37/564154537.db2.gz PFTSROXDWKSJIN-UHFFFAOYSA-N 0 0 331.456 4.150 10 0 EIAERN CC(C)N(CC(=O)CCCOCc1ccccc1)C(=O)OC(C)(C)C ZINC000405508144 564177575 /nfs/dbraw/zinc/17/75/75/564177575.db2.gz NNHUWICUNHRLEL-UHFFFAOYSA-N 0 0 349.471 4.198 10 0 EIAERN CC(C)(C)OC(=O)NCCCCC(=O)CCCOCc1ccccc1 ZINC000405564065 564177590 /nfs/dbraw/zinc/17/75/90/564177590.db2.gz HFBQSHCPOPZXII-UHFFFAOYSA-N 0 0 349.471 4.248 10 0 EIAERN CCn1c2ccc(-c3c[nH]nc3-c3cccc(C)c3)cc2n(CC)c1=O ZINC000014958561 581095801 /nfs/dbraw/zinc/09/58/01/581095801.db2.gz QGMLBGSAHGZEJV-UHFFFAOYSA-N 0 0 346.434 4.208 10 0 EIAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)Nc3ccccc3F)C2)cc1 ZINC000120801548 1032443854 /nfs/dbraw/zinc/44/38/54/1032443854.db2.gz OIMJUVGHHKTHMO-ZFWWWQNUSA-N 0 0 328.387 4.244 10 0 EIAERN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1ccc2nc(N(C)C)oc2c1 ZINC000125527125 1032807034 /nfs/dbraw/zinc/80/70/34/1032807034.db2.gz MRGJBTSJMCBLAH-WWGRRREGSA-N 0 0 342.443 4.079 10 0 EIAERN O=C(c1sccc1-c1ccccc1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000127606077 1023888635 /nfs/dbraw/zinc/88/86/35/1023888635.db2.gz NYGDURNJIZOPLB-JXFKEZNVSA-N 0 0 341.476 4.182 10 0 EIAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N[C@@H]1CCCc2occc21 ZINC000119372193 1027316675 /nfs/dbraw/zinc/31/66/75/1027316675.db2.gz BEKMDRAXERDOKX-DMDPSCGWSA-N 0 0 330.350 4.077 10 0 EIAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccc(SC)o3)C2)cc1 ZINC000121985241 1030551388 /nfs/dbraw/zinc/55/13/88/1030551388.db2.gz YDUUYRXMPHKUHQ-GXTWGEPZSA-N 0 0 331.437 4.028 10 0 EIAERN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000117649459 1031170662 /nfs/dbraw/zinc/17/06/62/1031170662.db2.gz KNDOCLKLKPXFAF-BJOHPYRUSA-N 0 0 339.288 4.348 10 0 EIAERN Cn1c(Cl)c(Cl)cc1C(=O)N1CC=C(c2cccs2)CC1 ZINC000117720847 1031208556 /nfs/dbraw/zinc/20/85/56/1031208556.db2.gz OCRDAFNZQSNAKC-UHFFFAOYSA-N 0 0 341.263 4.323 10 0 EIAERN O=C(c1cnc(-c2ccccc2)nc1)N1CC=C(c2cccs2)CC1 ZINC000117724146 1031210591 /nfs/dbraw/zinc/21/05/91/1031210591.db2.gz NXGAXKPYCGHGHE-UHFFFAOYSA-N 0 0 347.443 4.135 10 0 EIAERN COCc1ccccc1NC(=O)N1CC=C(c2cccs2)CC1 ZINC000118011962 1031339913 /nfs/dbraw/zinc/33/99/13/1031339913.db2.gz XEIKCOOMOBHBSJ-UHFFFAOYSA-N 0 0 328.437 4.216 10 0 EIAERN COc1cc(F)ccc1NC(=O)N1CC=C(c2cccs2)CC1 ZINC000118011199 1031340059 /nfs/dbraw/zinc/34/00/59/1031340059.db2.gz UXPNBKXRKOAFBR-UHFFFAOYSA-N 0 0 332.400 4.217 10 0 EIAERN O=C(Nc1ccc(F)c(F)c1F)N1CC=C(c2cccs2)CC1 ZINC000118007675 1031340890 /nfs/dbraw/zinc/34/08/90/1031340890.db2.gz RSOLGLADFXNAOS-UHFFFAOYSA-N 0 0 338.354 4.487 10 0 EIAERN O=C(CCc1cc(F)ccc1F)N1CC=C(c2cccs2)CC1 ZINC000117723379 1031394915 /nfs/dbraw/zinc/39/49/15/1031394915.db2.gz VBIQVCITNNUAJN-UHFFFAOYSA-N 0 0 333.403 4.275 10 0 EIAERN Cc1nc(COc2ccc(NC3CC(c4ccccc4)C3)cc2)no1 ZINC000126446168 1031648192 /nfs/dbraw/zinc/64/81/92/1031648192.db2.gz CNRNDOWEACNEFI-UHFFFAOYSA-N 0 0 335.407 4.315 10 0 EIAERN CC(C)c1ccc2c(c1)[C@H](NCc1nccn1C(F)F)CCCO2 ZINC000126613627 1031656255 /nfs/dbraw/zinc/65/62/55/1031656255.db2.gz RALNTNWIJMJMCR-OAHLLOKOSA-N 0 0 335.398 4.405 10 0 EIAERN O=C(Nc1ccc2c(c1)COC2)N1CC=C(c2ccccc2F)CC1 ZINC000127677042 1031701910 /nfs/dbraw/zinc/70/19/10/1031701910.db2.gz LDLYPIIDNLSUEX-UHFFFAOYSA-N 0 0 338.382 4.177 10 0 EIAERN CC(C)(C)[C@H](NC(=O)N1CCO[C@@H](c2ccco2)C1)c1cccs1 ZINC000128846948 1031761726 /nfs/dbraw/zinc/76/17/26/1031761726.db2.gz SEAQGWYBGZBYOY-GDBMZVCRSA-N 0 0 348.468 4.211 10 0 EIAERN Clc1ccc([C@@H](NCc2ccccc2Cl)c2ncon2)cc1 ZINC000090202452 1039201087 /nfs/dbraw/zinc/20/10/87/1039201087.db2.gz KAYBVKMYPHSWKZ-OAHLLOKOSA-N 0 0 334.206 4.256 10 0 EIAERN Cc1cc(CN[C@@H](c2ncon2)c2ccc(Cl)cc2)ccc1F ZINC000090202136 1039203247 /nfs/dbraw/zinc/20/32/47/1039203247.db2.gz ZKXBEODDIWAXPF-MRXNPFEDSA-N 0 0 331.778 4.050 10 0 EIAERN O=C(c1cccc(F)c1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113219487 1043293430 /nfs/dbraw/zinc/29/34/30/1043293430.db2.gz VRUZOFVJRXMUSJ-QGZVFWFLSA-N 0 0 349.409 4.236 10 0 EIAERN O=C(C=Cc1ccco1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113219786 1043294721 /nfs/dbraw/zinc/29/47/21/1043294721.db2.gz ZYGKVVLXPZOEBV-SXSDINLZSA-N 0 0 347.418 4.089 10 0 EIAERN COc1ccccc1[C@@H](C)CC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000067047989 1045736217 /nfs/dbraw/zinc/73/62/17/1045736217.db2.gz MXASMBFFTYXPRX-GJZGRUSLSA-N 0 0 344.480 4.052 10 0 EIAERN CC[C@H](NC(=O)N1CCO[C@H](c2ccccc2F)C1)c1cccs1 ZINC000067406581 1045742750 /nfs/dbraw/zinc/74/27/50/1045742750.db2.gz LZNWJNISNBUWLT-HOTGVXAUSA-N 0 0 348.443 4.121 10 0 EIAERN CC[C@@H](NC(=O)N1CCO[C@@H](c2ccccc2F)C1)c1cccs1 ZINC000067406586 1045742889 /nfs/dbraw/zinc/74/28/89/1045742889.db2.gz LZNWJNISNBUWLT-HZPDHXFCSA-N 0 0 348.443 4.121 10 0 EIAERN O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1nccs1 ZINC000074909317 1045821880 /nfs/dbraw/zinc/82/18/80/1045821880.db2.gz UFDCRXLXAJESGN-LBPRGKRZSA-N 0 0 326.343 4.139 10 0 EIAERN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@]1(C)CC1(Cl)Cl ZINC000076519623 1045897900 /nfs/dbraw/zinc/89/79/00/1045897900.db2.gz NKFFIPXDMNIOIV-GMXABZIVSA-N 0 0 330.230 4.114 10 0 EIAERN O=[S@](Cc1ncc(-c2ccccc2Cl)o1)Cc1ccccc1 ZINC000078700953 1046102245 /nfs/dbraw/zinc/10/22/45/1046102245.db2.gz NZHYXNYCBLEGBS-JOCHJYFZSA-N 0 0 331.824 4.444 10 0 EIAERN O=C(c1cccc2cc[nH]c21)N1CCC(Nc2ccccc2F)CC1 ZINC000080496424 1046675726 /nfs/dbraw/zinc/67/57/26/1046675726.db2.gz AZSCRHBNHSWZKH-UHFFFAOYSA-N 0 0 337.398 4.024 10 0 EIAERN CNc1nc(Cc2ccc(Br)cc2)nc2sccc21 ZINC000050841354 214071633 /nfs/dbraw/zinc/07/16/33/214071633.db2.gz VNOZNFPAABVNKL-UHFFFAOYSA-N 0 0 334.242 4.086 10 0 EIAERN COc1cccc(C(=S)NCc2cc(Cl)ccc2Cl)c1 ZINC000097673654 219045567 /nfs/dbraw/zinc/04/55/67/219045567.db2.gz OXFPCYNFYZXYCD-UHFFFAOYSA-N 0 0 326.248 4.467 10 0 EIAERN [O-]c1ccc(Cl)cc1C1=[N+](c2ccc(C(F)(F)F)cc2)CC=N1 ZINC000053685252 214194180 /nfs/dbraw/zinc/19/41/80/214194180.db2.gz SUHHBZVHXILLQP-UHFFFAOYSA-N 0 0 338.716 4.122 10 0 EIAERN O[C@H](Cc1cccc(Cl)c1)Cc1ccc(Br)cc1F ZINC000053782661 214198066 /nfs/dbraw/zinc/19/80/66/214198066.db2.gz WKZCWDXMGBETAM-CQSZACIVSA-N 0 0 343.623 4.388 10 0 EIAERN Nc1n[nH]c(Sc2ccccc2)c1NC(=O)c1ccc(Cl)cc1 ZINC000053994207 214209655 /nfs/dbraw/zinc/20/96/55/214209655.db2.gz BVZDWNOSDZDFKT-UHFFFAOYSA-N 0 0 344.827 4.049 10 0 EIAERN COc1ccc(Cl)cc1[C@](C)(O)c1ccccc1Br ZINC000055191438 214285672 /nfs/dbraw/zinc/28/56/72/214285672.db2.gz KIALNXOASMHNOE-OAHLLOKOSA-N 0 0 341.632 4.367 10 0 EIAERN C[C@@H](c1cccs1)N(C)Cc1ccc(N)cc1Br ZINC000049725950 214030186 /nfs/dbraw/zinc/03/01/86/214030186.db2.gz SDHGHTQFFFKCCV-JTQLQIEISA-N 0 0 325.275 4.286 10 0 EIAERN CC(C)(C)[S@@](=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000098095561 219082960 /nfs/dbraw/zinc/08/29/60/219082960.db2.gz MPLDQKWWOQENQW-FVINQWEUSA-N 0 0 331.762 4.134 10 0 EIAERN COC(=O)c1c(CSc2nc3ccccc3s2)cccc1OC ZINC000098177529 219086348 /nfs/dbraw/zinc/08/63/48/219086348.db2.gz RJMVJRWYZJXGTD-UHFFFAOYSA-N 0 0 345.445 4.384 10 0 EIAERN CC(C)CN(C)C(=O)c1ccc2cc(-c3n[nH]c4ccccc43)[nH]c2c1 ZINC000066066390 215005237 /nfs/dbraw/zinc/00/52/37/215005237.db2.gz SJKWPNVZJIRXQJ-UHFFFAOYSA-N 0 0 346.434 4.439 10 0 EIAERN O=C(Nc1cccc(Br)n1)c1csc2ccccc12 ZINC000042891263 213540139 /nfs/dbraw/zinc/54/01/39/213540139.db2.gz VJZFVYXSUYDVOP-UHFFFAOYSA-N 0 0 333.210 4.311 10 0 EIAERN CCc1nc(-c2ccc(OC)c(Br)c2)nc(Cl)c1C ZINC000104158956 219354687 /nfs/dbraw/zinc/35/46/87/219354687.db2.gz JGNOBJVXODEKDA-UHFFFAOYSA-N 0 0 341.636 4.439 10 0 EIAERN Cc1ccc(Oc2ncnc(Nc3ccc(F)cc3F)c2N)cc1C ZINC000040800274 213388496 /nfs/dbraw/zinc/38/84/96/213388496.db2.gz VOVLGZJHLYVRNI-UHFFFAOYSA-N 0 0 342.349 4.490 10 0 EIAERN Cc1ccc(Sc2ncnc(Nc3ccc(Cl)cn3)c2N)cc1 ZINC000040779389 213386262 /nfs/dbraw/zinc/38/62/62/213386262.db2.gz HOHXLEXQMRZLQT-UHFFFAOYSA-N 0 0 343.843 4.310 10 0 EIAERN Cc1cccc(Nc2ncnc(Nc3ccc(F)cc3F)c2N)c1 ZINC000040781701 213385569 /nfs/dbraw/zinc/38/55/69/213385569.db2.gz MTILVMHUWINTNR-UHFFFAOYSA-N 0 0 327.338 4.133 10 0 EIAERN CC(C)Oc1ncnc(Nc2ccc(Cl)c(C(F)(F)F)c2)c1N ZINC000040795865 213386576 /nfs/dbraw/zinc/38/65/76/213386576.db2.gz APTGVFYEEAZDOT-UHFFFAOYSA-N 0 0 346.740 4.262 10 0 EIAERN Cc1ccc2cccc(Oc3ncnc(Nc4ccccc4)c3N)c2n1 ZINC000040752295 213381342 /nfs/dbraw/zinc/38/13/42/213381342.db2.gz LLQCMFQXVIKFNY-UHFFFAOYSA-N 0 0 343.390 4.451 10 0 EIAERN COc1ccccc1Nc1ncnc(Nc2cccc(C)c2C)c1N ZINC000040755083 213383892 /nfs/dbraw/zinc/38/38/92/213383892.db2.gz SCLOBFPSFFAJQS-UHFFFAOYSA-N 0 0 335.411 4.171 10 0 EIAERN Cc1ccc(Nc2ncnc(Nc3cc(F)ccc3F)c2N)c(C)c1 ZINC000040755543 213383333 /nfs/dbraw/zinc/38/33/33/213383333.db2.gz FHCFONINEJMLLF-UHFFFAOYSA-N 0 0 341.365 4.441 10 0 EIAERN Cc1cccc(Nc2ncnc(Nc3cccc4ccccc43)c2N)n1 ZINC000040685478 213369951 /nfs/dbraw/zinc/36/99/51/213369951.db2.gz DCFCQKVNLFJJEW-UHFFFAOYSA-N 0 0 342.406 4.403 10 0 EIAERN CCc1ccc(Nc2ncnc(N3CCc4ccccc43)c2N)cc1 ZINC000040687256 213369586 /nfs/dbraw/zinc/36/95/86/213369586.db2.gz YWDZXMYHBFOYQS-UHFFFAOYSA-N 0 0 331.423 4.059 10 0 EIAERN CC(C)(C)Nc1ncnc(NC(c2ccccc2)c2ccccc2)c1N ZINC000040680612 213367734 /nfs/dbraw/zinc/36/77/34/213367734.db2.gz CYRFRAUBVRQOJH-UHFFFAOYSA-N 0 0 347.466 4.471 10 0 EIAERN COc1ccccc1Nc1ncnc(Nc2cc(C)cc(C)c2)c1N ZINC000040681996 213367493 /nfs/dbraw/zinc/36/74/93/213367493.db2.gz BUVJNDRVPCRMOF-UHFFFAOYSA-N 0 0 335.411 4.171 10 0 EIAERN Cc1ccc2c(c1)c1c(n2C)CCN(C(=O)C2(c3ccccc3)CC2)C1 ZINC000040455602 213304688 /nfs/dbraw/zinc/30/46/88/213304688.db2.gz UIJISCHUCUKUMZ-UHFFFAOYSA-N 0 0 344.458 4.103 10 0 EIAERN CCCC[C@H](CC)[C@@H]1NC(=O)N(SC(Cl)(Cl)Cl)C1=O ZINC000001759672 209789507 /nfs/dbraw/zinc/78/95/07/209789507.db2.gz VOGJJBHRUDVEFM-YUMQZZPRSA-N 0 0 347.695 4.099 10 0 in-man EIAERN COCCn1c(Cc2ccccc2)nc2cc(C(F)(F)F)ccc21 ZINC000040404488 213299028 /nfs/dbraw/zinc/29/90/28/213299028.db2.gz OGOWZUGSZXEVDK-UHFFFAOYSA-N 0 0 334.341 4.292 10 0 EIAERN Cc1c(Cl)ccc2c(O)c(C(=O)Nc3cccc(Cl)c3)cnc12 ZINC000040359363 213293493 /nfs/dbraw/zinc/29/34/93/213293493.db2.gz WHFVWCVSJIEQDF-UHFFFAOYSA-N 0 0 347.201 4.396 10 0 EIAERN Cc1ccccc1-c1nc2ccccc2n1CC(=O)NC1CCCC1 ZINC000040306564 213290023 /nfs/dbraw/zinc/29/00/23/213290023.db2.gz SEECMRHNGKMEKS-UHFFFAOYSA-N 0 0 333.435 4.071 10 0 EIAERN Cc1cc2nc(CO)n(CCCOc3ccc(Cl)cc3)c2cc1C ZINC000040309024 213291107 /nfs/dbraw/zinc/29/11/07/213291107.db2.gz GBQYICKTKAJSGS-UHFFFAOYSA-N 0 0 344.842 4.268 10 0 EIAERN CC(=O)NCc1nc2ccccc2n1Cc1ccc(C(C)(C)C)cc1 ZINC000040274101 213287192 /nfs/dbraw/zinc/28/71/92/213287192.db2.gz NNOKACGBSVAIES-UHFFFAOYSA-N 0 0 335.451 4.018 10 0 EIAERN CCN(CC)C(=O)Cn1c(/C=C/c2ccccc2)nc2ccccc21 ZINC000040238389 213283776 /nfs/dbraw/zinc/28/37/76/213283776.db2.gz MRBHFNIQGOWKNV-CCEZHUSRSA-N 0 0 333.435 4.075 10 0 EIAERN CC(=O)NCCCc1nc2ccccc2n1Cc1c(C)cc(C)cc1C ZINC000040203839 213281739 /nfs/dbraw/zinc/28/17/39/213281739.db2.gz ZXVHCJWDAWCKJR-UHFFFAOYSA-N 0 0 349.478 4.079 10 0 EIAERN CC(C)OC(=O)Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21 ZINC000040226063 213281923 /nfs/dbraw/zinc/28/19/23/213281923.db2.gz NERCATRMVSXCCB-UHFFFAOYSA-N 0 0 342.826 4.232 10 0 EIAERN CCCc1c(C(=O)Nc2ccccc2)nnn1-c1ccc(Cl)cc1 ZINC000040179883 213280216 /nfs/dbraw/zinc/28/02/16/213280216.db2.gz PYADKGZAMQEKET-UHFFFAOYSA-N 0 0 340.814 4.126 10 0 EIAERN Cc1cccc(NC(=O)c2cnc3c(cccc3C(F)(F)F)c2O)c1 ZINC000040176995 213279945 /nfs/dbraw/zinc/27/99/45/213279945.db2.gz HJCQTEZKCOPCFT-UHFFFAOYSA-N 0 0 346.308 4.108 10 0 EIAERN COc1ccc(Oc2ccc(C(=O)Nc3nccs3)cc2)cc1 ZINC000040179139 213279951 /nfs/dbraw/zinc/27/99/51/213279951.db2.gz JMTANXIDNCGNQJ-UHFFFAOYSA-N 0 0 326.377 4.196 10 0 EIAERN Cc1ccc(Cn2c(CNC(=O)C(C)(C)C)nc3ccccc32)cc1 ZINC000040190256 213280798 /nfs/dbraw/zinc/28/07/98/213280798.db2.gz RFWWVVZRYZQCAA-UHFFFAOYSA-N 0 0 335.451 4.055 10 0 EIAERN Cn1cc(C(=O)Nc2ccccc2Cl)c(=O)c2cccc(Cl)c21 ZINC000039962946 213247264 /nfs/dbraw/zinc/24/72/64/213247264.db2.gz NWZROSJXEKJXSP-UHFFFAOYSA-N 0 0 347.201 4.098 10 0 EIAERN COc1ccc(CON2C(=O)CS[C@H]2c2ccc(C)c(C)c2)cc1 ZINC000038149948 213204154 /nfs/dbraw/zinc/20/41/54/213204154.db2.gz NROGBECHHOOJMM-IBGZPJMESA-N 0 0 343.448 4.018 10 0 EIAERN C[C@@H](c1ccc(O)cc1)N(C)C(=O)c1ccc(Br)s1 ZINC000038090152 213201147 /nfs/dbraw/zinc/20/11/47/213201147.db2.gz RSNXAZHWDVKUCS-VIFPVBQESA-N 0 0 340.242 4.049 10 0 EIAERN Cc1nccc(CN[C@H](c2cccs2)c2ccc(Cl)s2)n1 ZINC000038037753 213195280 /nfs/dbraw/zinc/19/52/80/213195280.db2.gz PSXWPZGFIUNBIL-OAHLLOKOSA-N 0 0 335.885 4.441 10 0 EIAERN CNC(=O)c1cccc(N[C@H](C)c2ccc(Br)s2)c1 ZINC000038001905 213185973 /nfs/dbraw/zinc/18/59/73/213185973.db2.gz QHZABSSMXSTZHG-SECBINFHSA-N 0 0 339.258 4.043 10 0 EIAERN Clc1nsnc1Oc1ccc(Cl)cc1Br ZINC000037981682 213181218 /nfs/dbraw/zinc/18/12/18/213181218.db2.gz LOSTVUGVXYOFRK-UHFFFAOYSA-N 0 0 326.002 4.400 10 0 EIAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cnc(Cl)c(Cl)c1 ZINC000037981470 213180789 /nfs/dbraw/zinc/18/07/89/213180789.db2.gz HYQRLJVSPROJEG-DTWKUNHWSA-N 0 0 341.160 4.239 10 0 EIAERN Nc1ccc(-c2nccn2Cc2ccc(Br)cc2F)cc1 ZINC000037974269 213179284 /nfs/dbraw/zinc/17/92/84/213179284.db2.gz QKRUYRYBEYHAEQ-UHFFFAOYSA-N 0 0 346.203 4.082 10 0 EIAERN Cc1ccc([C@H](C)NCC(=O)Nc2c(Cl)cccc2Cl)o1 ZINC000037976268 213178982 /nfs/dbraw/zinc/17/89/82/213178982.db2.gz HWHBPEMRPZFNEH-JTQLQIEISA-N 0 0 327.211 4.184 10 0 EIAERN Nc1ccc(-c2nccn2Cc2cc(F)ccc2Br)cc1 ZINC000037974207 213178383 /nfs/dbraw/zinc/17/83/83/213178383.db2.gz ZARTVBQTNSHOPA-UHFFFAOYSA-N 0 0 346.203 4.082 10 0 EIAERN Cc1ccc(NC(=O)c2ccc(Br)cc2Cl)c(N)c1 ZINC000037366576 213142012 /nfs/dbraw/zinc/14/20/12/213142012.db2.gz XRSRCUMTGBYJKT-UHFFFAOYSA-N 0 0 339.620 4.245 10 0 EIAERN Cn1nc(-c2cccs2)c(-c2ccc(Br)cc2)c1N ZINC000037351554 213140490 /nfs/dbraw/zinc/14/04/90/213140490.db2.gz UTRRLSNCONQLAK-UHFFFAOYSA-N 0 0 334.242 4.160 10 0 EIAERN CCOc1nc(Oc2ccc(Cl)cc2Br)ccc1N ZINC000037068835 213132747 /nfs/dbraw/zinc/13/27/47/213132747.db2.gz BNQQOUULRSTXPL-UHFFFAOYSA-N 0 0 343.608 4.271 10 0 EIAERN Oc1ccc2c(c1)OC[C@H]2Nc1ccc(Br)cc1Cl ZINC000036963645 213126857 /nfs/dbraw/zinc/12/68/57/213126857.db2.gz DERHBNBMQVWCGM-CYBMUJFWSA-N 0 0 340.604 4.354 10 0 EIAERN O=C(c1ccc(Br)cc1)c1ccccc1OC(F)F ZINC000036941763 213126598 /nfs/dbraw/zinc/12/65/98/213126598.db2.gz PHSXKMHODFXTRC-UHFFFAOYSA-N 0 0 327.124 4.282 10 0 EIAERN Nc1ccc(NC(=O)Nc2ccccc2Cl)c(Br)c1 ZINC000036744232 213115902 /nfs/dbraw/zinc/11/59/02/213115902.db2.gz VRBPPOIOBLJBNO-UHFFFAOYSA-N 0 0 340.608 4.329 10 0 EIAERN CCCCc1ccc(-n2nnc(C(=O)Oc3ccccc3C)c2C)cc1 ZINC000036638977 213106628 /nfs/dbraw/zinc/10/66/28/213106628.db2.gz SJVYGJZEXWUHGA-UHFFFAOYSA-N 0 0 349.434 4.446 10 0 EIAERN CCCCc1ccc(-n2nnc(C(=O)Oc3cccc(C)c3)c2C)cc1 ZINC000036638978 213106486 /nfs/dbraw/zinc/10/64/86/213106486.db2.gz BURFWUNOCOYONC-UHFFFAOYSA-N 0 0 349.434 4.446 10 0 EIAERN C[C@@H](O)c1ccc(Oc2cccc(I)c2)cc1 ZINC000035632515 213044245 /nfs/dbraw/zinc/04/42/45/213044245.db2.gz IJFKIBWYPDAKCN-SNVBAGLBSA-N 0 0 340.160 4.137 10 0 EIAERN C[C@H](O)c1ccccc1Oc1ccc(I)cc1 ZINC000035650739 213043735 /nfs/dbraw/zinc/04/37/35/213043735.db2.gz SKCDYBNEDYLOSB-JTQLQIEISA-N 0 0 340.160 4.137 10 0 EIAERN C[C@@H](O)c1ccccc1OCc1ccc(F)cc1Br ZINC000035627039 213044162 /nfs/dbraw/zinc/04/41/62/213044162.db2.gz SCNMBORNLBEXSC-SNVBAGLBSA-N 0 0 325.177 4.221 10 0 EIAERN CCN[C@H](c1ccc(Br)cc1)C(F)(F)C(F)(F)F ZINC000035538841 213036840 /nfs/dbraw/zinc/03/68/40/213036840.db2.gz RBEZPPLIMVUTPS-SECBINFHSA-N 0 0 332.110 4.297 10 0 EIAERN Clc1cc2c(cc1NCc1cccc(Br)c1)OCO2 ZINC000035229670 213016032 /nfs/dbraw/zinc/01/60/32/213016032.db2.gz DPGJFSQSMBBNPS-UHFFFAOYSA-N 0 0 340.604 4.443 10 0 EIAERN O=C(Cc1nc2ccccc2o1)c1cc(F)ccc1Br ZINC000034940254 213002483 /nfs/dbraw/zinc/00/24/83/213002483.db2.gz WXJWSEQPEYKWIL-UHFFFAOYSA-N 0 0 334.144 4.155 10 0 EIAERN CCOC(=O)COc1cc(C)nc2cc(C(F)(F)F)c(Cl)cc21 ZINC000072237294 216076595 /nfs/dbraw/zinc/07/65/95/216076595.db2.gz GLGASCPOHIYNDH-UHFFFAOYSA-N 0 0 347.720 4.157 10 0 EIAERN CCC(CC)C(=O)c1cc2c(cc1Br)OCCCO2 ZINC000036946066 213126813 /nfs/dbraw/zinc/12/68/13/213126813.db2.gz GSUFGSDWJQBIGL-UHFFFAOYSA-N 0 0 327.218 4.229 10 0 EIAERN COC(=O)c1ccc(N[C@@H](C)c2sccc2Br)cc1 ZINC000037251271 213136587 /nfs/dbraw/zinc/13/65/87/213136587.db2.gz RSYLOKYZFHXPJD-VIFPVBQESA-N 0 0 340.242 4.470 10 0 EIAERN COC(=O)CCCCCCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000029466699 212667417 /nfs/dbraw/zinc/66/74/17/212667417.db2.gz YOZZBZOITSTZFY-UHFFFAOYSA-N 0 0 332.227 4.446 10 0 EIAERN CCc1ccc(Nc2nc3nccc(-c4ccsc4)c3c(=O)[nH]2)cc1 ZINC000072441176 216235363 /nfs/dbraw/zinc/23/53/63/216235363.db2.gz HNJNADYFSHQAQF-UHFFFAOYSA-N 0 0 348.431 4.353 10 0 EIAERN COc1ccc(/C=C/c2ccnc(N3CCc4ccccc4C3)n2)cc1 ZINC000072443617 216235835 /nfs/dbraw/zinc/23/58/35/216235835.db2.gz FUWWQPMMHVMXDA-RMKNXTFCSA-N 0 0 343.430 4.218 10 0 EIAERN O=C(Oc1ccc(Cl)cc1)c1cnc(Cl)c(Br)c1 ZINC000211700451 241083736 /nfs/dbraw/zinc/08/37/36/241083736.db2.gz GNCIAXRAGCELPI-UHFFFAOYSA-N 0 0 346.995 4.370 10 0 EIAERN Cc1cc2nc(Cc3ccccc3)c(-c3cccc(F)c3)c(N)n2n1 ZINC000211796509 241085579 /nfs/dbraw/zinc/08/55/79/241085579.db2.gz ZTEPKQIRNARIOZ-UHFFFAOYSA-N 0 0 332.382 4.017 10 0 EIAERN Cc1cc2nc(Cl)cc(Cl)c2cc1I ZINC000201689088 241039339 /nfs/dbraw/zinc/03/93/39/241039339.db2.gz VHMSTUFHYYCYHU-UHFFFAOYSA-N 0 0 337.975 4.455 10 0 EIAERN C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(Cl)[C@@H](O)C=C[C@]4(C)[C@H]3CC[C@@]21C ZINC000022054735 212274156 /nfs/dbraw/zinc/27/41/56/212274156.db2.gz ZHWBNJVZZYSUJZ-HADYEQCDSA-N 0 0 336.903 4.404 10 0 in-vitro EIAERN FC(F)(F)c1cc(-c2cccc(Br)c2)nc(=S)[nH]1 ZINC000217026601 241233518 /nfs/dbraw/zinc/23/35/18/241233518.db2.gz ZBZWSOYOTQPGIF-UHFFFAOYSA-N 0 0 335.148 4.214 10 0 EIAERN CC[C@@H](C)NC(=O)c1ccc(-c2noc(-c3ccc(C)cc3)n2)s1 ZINC000021713294 212242118 /nfs/dbraw/zinc/24/21/18/212242118.db2.gz BMPJECJLPITFNN-GFCCVEGCSA-N 0 0 341.436 4.302 10 0 EIAERN Cc1cccc(-c2nc3cc(N(C)C(=O)C(F)(F)F)ccc3o2)c1 ZINC000226269355 242092436 /nfs/dbraw/zinc/09/24/36/242092436.db2.gz KAMWQDCCFLLVIV-UHFFFAOYSA-N 0 0 334.297 4.328 10 0 EIAERN CC(C)c1ccc(OCC(=O)Nc2ccc3nc(N)sc3c2)cc1 ZINC000226311696 242096012 /nfs/dbraw/zinc/09/60/12/242096012.db2.gz LVDODJJZYYVFEY-UHFFFAOYSA-N 0 0 341.436 4.019 10 0 EIAERN C[C@H]1C[C@H](C)CN(C(=O)c2ccc(-c3cc(N)ccc3Cl)o2)C1 ZINC000226301494 242096210 /nfs/dbraw/zinc/09/62/10/242096210.db2.gz OMZKFMIWRSTRII-RYUDHWBXSA-N 0 0 332.831 4.300 10 0 EIAERN CCOc1ccc(NC(=O)c2cccc3c2SCCC3=O)cc1 ZINC000021102928 212207563 /nfs/dbraw/zinc/20/75/63/212207563.db2.gz GQPPCZGZYLQMSE-UHFFFAOYSA-N 0 0 327.405 4.016 10 0 EIAERN O=C(Nc1ccccc1)N1CCn2cccc2[C@@H]1Cc1ccccc1 ZINC000021051366 212202836 /nfs/dbraw/zinc/20/28/36/212202836.db2.gz DCBMWWDYZZONGA-FQEVSTJZSA-N 0 0 331.419 4.320 10 0 EIAERN CNc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 ZINC000255187093 244044852 /nfs/dbraw/zinc/04/48/52/244044852.db2.gz BFVRRFSWHSORQZ-UHFFFAOYSA-N 0 0 345.402 4.233 10 0 EIAERN C[C@@H](NCc1ccccn1)c1cc2cc(Br)ccc2o1 ZINC000019957748 212089724 /nfs/dbraw/zinc/08/97/24/212089724.db2.gz VAIPRJQMALATCZ-LLVKDONJSA-N 0 0 331.213 4.441 10 0 EIAERN C[C@@H](Nc1ccc(Br)cc1F)c1ccc2c(c1)OCO2 ZINC000019908017 212081685 /nfs/dbraw/zinc/08/16/85/212081685.db2.gz GKEALOOMRAQYCJ-SECBINFHSA-N 0 0 338.176 4.490 10 0 EIAERN CCOC(=O)c1cnc2c(Cl)cc(Br)cc2c1Cl ZINC000019808119 212071301 /nfs/dbraw/zinc/07/13/01/212071301.db2.gz PBEWDGPPZOIINM-UHFFFAOYSA-N 0 0 349.011 4.481 10 0 EIAERN CN(C)c1ccc(Nc2c3c([nH+]c4ccc(C(=O)[O-])cc42)CCC3)cc1 ZINC000019794276 212068997 /nfs/dbraw/zinc/06/89/97/212068997.db2.gz LRRJKEBDVYWVGK-UHFFFAOYSA-N 0 0 347.418 4.231 10 0 EIAERN Nc1ccc(OCc2ccc(F)cc2Br)c(Cl)c1 ZINC000019511912 212035271 /nfs/dbraw/zinc/03/52/71/212035271.db2.gz ZRQMSIMGNKCUGP-UHFFFAOYSA-N 0 0 330.584 4.403 10 0 EIAERN COc1ccc(C(=O)N[C@@H](C)c2ccccc2C)cc1Br ZINC000017963859 211976345 /nfs/dbraw/zinc/97/63/45/211976345.db2.gz ZCQVBLQEXLTWKC-LBPRGKRZSA-N 0 0 348.240 4.257 10 0 EIAERN CC[C@@H](NC(=O)c1ccccc1F)c1ccc(Br)cc1 ZINC000017825436 211973228 /nfs/dbraw/zinc/97/32/28/211973228.db2.gz ZFTAEQBRLODUGU-OAHLLOKOSA-N 0 0 336.204 4.469 10 0 EIAERN C[C@@H](Cc1cc(C(=O)NC2CCCCCC2)on1)c1ccccc1 ZINC000011782838 211247674 /nfs/dbraw/zinc/24/76/74/211247674.db2.gz YMZTXIMTBCPHLM-HNNXBMFYSA-N 0 0 326.440 4.473 10 0 EIAERN O[C@H](c1ccccn1)C1(c2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000087493515 217732249 /nfs/dbraw/zinc/73/22/49/217732249.db2.gz RACMQMKZFOXEAB-MRXNPFEDSA-N 0 0 338.234 4.170 10 0 EIAERN CC(C)(C)OC(=O)N1CCC[C@H](COc2nsc3ccccc32)C1 ZINC000095085450 218276626 /nfs/dbraw/zinc/27/66/26/218276626.db2.gz SYULKCMINHRQRY-ZDUSSCGKSA-N 0 0 348.468 4.322 10 0 EIAERN CC(C)(C)OC(=O)N1CCC[C@H]1COc1nc2ccccc2s1 ZINC000095085920 218277550 /nfs/dbraw/zinc/27/75/50/218277550.db2.gz CUAHWBZSGRWBRK-LBPRGKRZSA-N 0 0 334.441 4.075 10 0 EIAERN CN(c1nc2ccccc2s1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095074091 218271824 /nfs/dbraw/zinc/27/18/24/218271824.db2.gz VAEDPKPHPTZLBS-CYBMUJFWSA-N 0 0 347.484 4.132 10 0 EIAERN CN(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1nc2ccccc2o1 ZINC000095075032 218272499 /nfs/dbraw/zinc/27/24/99/218272499.db2.gz YPSQUPJGJFDYHW-AWEZNQCLSA-N 0 0 345.443 4.054 10 0 EIAERN COc1ccc(CC(=O)Nc2cc(Cl)ccc2Cl)c(OC)c1 ZINC000008803046 211007866 /nfs/dbraw/zinc/00/78/66/211007866.db2.gz JAWXQQDIPYONNI-UHFFFAOYSA-N 0 0 340.206 4.192 10 0 EIAERN CC(C)(O)c1nc2ccccc2n1CCOc1cccc2ccccc21 ZINC000008786023 211007431 /nfs/dbraw/zinc/00/74/31/211007431.db2.gz HOLWXSFINNNIAJ-UHFFFAOYSA-N 0 0 346.430 4.496 10 0 EIAERN Cc1cc(Br)cc(C)c1OC(=O)COc1ccccc1 ZINC000006922111 210744447 /nfs/dbraw/zinc/74/44/47/210744447.db2.gz UDFVOYNPRZGXIJ-UHFFFAOYSA-N 0 0 335.197 4.050 10 0 EIAERN C[C@@H]1CCCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCC4)C1 ZINC000005034909 210369890 /nfs/dbraw/zinc/36/98/90/210369890.db2.gz RQDCTWJEIJVNCU-GFCCVEGCSA-N 0 0 328.843 4.249 10 0 EIAERN Cn1nnc(COc2ccc(Cl)cc2)c1SCc1ccccc1 ZINC000334161626 258016094 /nfs/dbraw/zinc/01/60/94/258016094.db2.gz CWEXKWZVZRMISJ-UHFFFAOYSA-N 0 0 345.855 4.340 10 0 EIAERN CCCN(CCC)c1ccc(N)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000226323631 535327682 /nfs/dbraw/zinc/32/76/82/535327682.db2.gz CEIOJRKNTZTLKK-HOTGVXAUSA-N 0 0 331.504 4.298 10 0 EIAERN CN(C(=O)C(F)(F)F)c1ccc2nc(-c3cccc(F)c3)oc2c1 ZINC000226271013 535957172 /nfs/dbraw/zinc/95/71/72/535957172.db2.gz YNCXAEPMRJSDEG-UHFFFAOYSA-N 0 0 338.260 4.159 10 0 EIAERN CCc1cc(NC(=O)/C=C/c2ccccc2)nn1-c1ccc(OC)cc1 ZINC000034907348 563481874 /nfs/dbraw/zinc/48/18/74/563481874.db2.gz SXHURRZZJUHZRD-NTEUORMPSA-N 0 0 347.418 4.095 10 0 EIAERN CCOc1c(CNCc2ccccc2OC)cc(Cl)cc1OC ZINC000013720808 563716370 /nfs/dbraw/zinc/71/63/70/563716370.db2.gz CDQDTABNLFQBOB-UHFFFAOYSA-N 0 0 335.831 4.046 10 0 EIAERN O=S(=O)(Cc1ccccc1)N1CCCCC[C@@H]1c1cccs1 ZINC000015866775 563797353 /nfs/dbraw/zinc/79/73/53/563797353.db2.gz DZKBZGQPDBZWRN-MRXNPFEDSA-N 0 0 335.494 4.195 10 0 EIAERN O=S(=O)(Cc1ccc(C(F)(F)F)cc1)c1c[nH]c2ccccc21 ZINC000000201426 563829299 /nfs/dbraw/zinc/82/92/99/563829299.db2.gz SBPZGCDIQWDMPI-UHFFFAOYSA-N 0 0 339.338 4.161 10 0 EIAERN COc1cc(/C=C/C(=O)OC(C)(C)C)cc(Cl)c1OC(C)C ZINC000725273856 563988794 /nfs/dbraw/zinc/98/87/94/563988794.db2.gz NJYBPAPDGKQJHN-BQYQJAHWSA-N 0 0 326.820 4.491 10 0 EIAERN O=C(Nc1cnccc1-c1cccc(Br)c1)C(F)(F)F ZINC000667405401 564079358 /nfs/dbraw/zinc/07/93/58/564079358.db2.gz JFERYUIXBMIXIS-UHFFFAOYSA-N 0 0 345.118 4.012 10 0 EIAERN CCOc1ccc(Cc2nc(-c3ccc4oc(C)nc4c3)no2)cc1 ZINC000065149608 564101767 /nfs/dbraw/zinc/10/17/67/564101767.db2.gz HLTRZUOPXHMNON-UHFFFAOYSA-N 0 0 335.363 4.176 10 0 EIAERN COc1ccc(/C=C/C(=O)Nc2cc(C)ccc2OC)cc1Cl ZINC000048544525 564129332 /nfs/dbraw/zinc/12/93/32/564129332.db2.gz OLDFCOCROGDRPZ-RMKNXTFCSA-N 0 0 331.799 4.318 10 0 EIAERN CC(C)(C)OC(=O)N(CC(=O)CCCC(F)F)Cc1ccccc1 ZINC000685960416 564177122 /nfs/dbraw/zinc/17/71/22/564177122.db2.gz KEROMDMMNSVOEC-UHFFFAOYSA-N 0 0 341.398 4.428 10 0 EIAERN CC(C)CC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 ZINC000685961464 564177208 /nfs/dbraw/zinc/17/72/08/564177208.db2.gz IUJSHXRHBDEPHZ-QAPCUYQASA-N 0 0 349.471 4.100 10 0 EIAERN CCCCC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 ZINC000685961793 564177212 /nfs/dbraw/zinc/17/72/12/564177212.db2.gz OIDCPEXQLZMBFA-QAPCUYQASA-N 0 0 349.471 4.244 10 0 EIAERN O=C(Nc1ccc(N2Cc3ccccc3C2=O)cc1)c1cccs1 ZINC000198752707 564177726 /nfs/dbraw/zinc/17/77/26/564177726.db2.gz KOUXWLYPUQAIEJ-UHFFFAOYSA-N 0 0 334.400 4.161 10 0 EIAERN Cc1ccc(C(=O)Nc2ccc(N3Cc4ccccc4C3=O)cc2)cc1 ZINC000198747565 564177730 /nfs/dbraw/zinc/17/77/30/564177730.db2.gz ILOSJBUHJWXQBI-UHFFFAOYSA-N 0 0 342.398 4.408 10 0 EIAERN COc1ccc(NC(=O)N2C[C@H](c3ccc(OC)cc3)C[C@H]2C)cc1 ZINC000120804906 1032446777 /nfs/dbraw/zinc/44/67/77/1032446777.db2.gz SZPMRVVOACRACC-GDBMZVCRSA-N 0 0 340.423 4.114 10 0 EIAERN C[C@@H](Cc1ccccc1F)C(=O)N1CC=C(c2cccs2)CC1 ZINC000120986687 1032484160 /nfs/dbraw/zinc/48/41/60/1032484160.db2.gz TUDWGZSODLZLJM-AWEZNQCLSA-N 0 0 329.440 4.382 10 0 EIAERN O=C(C[C@@H]1OCCc2ccccc21)N1CC=C(c2ccccc2)CC1 ZINC000115003009 1025558530 /nfs/dbraw/zinc/55/85/30/1025558530.db2.gz UGCHTMNBKZCUCI-NRFANRHFSA-N 0 0 333.431 4.006 10 0 EIAERN Cc1ccc(NC(=O)N2CC[C@H](C)C[C@H](C)C2)cc1C(=O)NC(C)C ZINC000123112088 1026689306 /nfs/dbraw/zinc/68/93/06/1026689306.db2.gz TZUJINXMFWJUJA-GJZGRUSLSA-N 0 0 345.487 4.033 10 0 EIAERN Cc1ccc(NC(=O)N2CC[C@@H](C)C[C@H](C)C2)cc1C(=O)NC(C)C ZINC000123112303 1026690110 /nfs/dbraw/zinc/69/01/10/1026690110.db2.gz TZUJINXMFWJUJA-CABCVRRESA-N 0 0 345.487 4.033 10 0 EIAERN C[C@H](CC1CC1)NC(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000112721323 1026698586 /nfs/dbraw/zinc/69/85/86/1026698586.db2.gz OVCXCRPOSJBICG-CYBMUJFWSA-N 0 0 348.874 4.133 10 0 EIAERN Cc1cc(C)c(NC(=O)N2CCC[C@@H](c3nccs3)C2)c(C)c1 ZINC000114804322 1029611718 /nfs/dbraw/zinc/61/17/18/1029611718.db2.gz HCZPDDNOJIXYIM-OAHLLOKOSA-N 0 0 329.469 4.480 10 0 EIAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccc(SC)o3)C2)cc1 ZINC000121984561 1030551242 /nfs/dbraw/zinc/55/12/42/1030551242.db2.gz YDUUYRXMPHKUHQ-OCCSQVGLSA-N 0 0 331.437 4.028 10 0 EIAERN O=C(c1csc(-c2ccsc2)n1)N1CCC[C@H]1c1ccco1 ZINC000116046499 1030753188 /nfs/dbraw/zinc/75/31/88/1030753188.db2.gz FHCDXYCIYKFSKQ-ZDUSSCGKSA-N 0 0 330.434 4.442 10 0 EIAERN O=C(c1coc(Br)c1)N1CC=C(c2cccs2)CC1 ZINC000117722873 1031206770 /nfs/dbraw/zinc/20/67/70/1031206770.db2.gz QKTHPBVKAMARSW-UHFFFAOYSA-N 0 0 338.226 4.033 10 0 EIAERN CC(C)(C)c1nnc(NC(=O)N2CC=C(c3cccs3)CC2)s1 ZINC000118014673 1031339180 /nfs/dbraw/zinc/33/91/80/1031339180.db2.gz GYBVSKMWDNANGO-UHFFFAOYSA-N 0 0 348.497 4.218 10 0 EIAERN CN(C)c1ccc(NC(=O)N2CC=C(c3cccs3)CC2)cc1 ZINC000118007164 1031340200 /nfs/dbraw/zinc/34/02/00/1031340200.db2.gz BWCSFWIFOZPZHE-UHFFFAOYSA-N 0 0 327.453 4.135 10 0 EIAERN CCC(C)(C)C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113219611 1031357316 /nfs/dbraw/zinc/35/73/16/1031357316.db2.gz IHJFZLVJHHSSTR-MRXNPFEDSA-N 0 0 325.456 4.219 10 0 EIAERN CCN(CC)C(=O)CSCc1ncc(-c2ccccc2Cl)o1 ZINC000120584010 1031432288 /nfs/dbraw/zinc/43/22/88/1031432288.db2.gz UNZZYOMPCSNAIR-UHFFFAOYSA-N 0 0 338.860 4.097 10 0 EIAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3nccc4ccccc43)C2)cc1 ZINC000121186340 1031437059 /nfs/dbraw/zinc/43/70/59/1031437059.db2.gz UNVYGLFRMIAIEW-YJBOKZPZSA-N 0 0 346.430 4.262 10 0 EIAERN CC(C)(C)Oc1ccc(NC(=O)N2CCO[C@@H](c3ccco3)C2)cc1 ZINC000123812486 1031486673 /nfs/dbraw/zinc/48/66/73/1031486673.db2.gz RZCRWANAPYTLCQ-QGZVFWFLSA-N 0 0 344.411 4.062 10 0 EIAERN C[C@@H](NC(=O)[C@]1(C)CC1(Cl)Cl)c1ncc(-c2ccccc2)o1 ZINC000126322666 1031643143 /nfs/dbraw/zinc/64/31/43/1031643143.db2.gz WAANWBIHULRWFI-BMIGLBTASA-N 0 0 339.222 4.103 10 0 EIAERN CC(C)c1ccc2c(c1)[C@@H](NCc1nccn1C(F)F)CCCO2 ZINC000126613863 1031657049 /nfs/dbraw/zinc/65/70/49/1031657049.db2.gz RALNTNWIJMJMCR-HNNXBMFYSA-N 0 0 335.398 4.405 10 0 EIAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc2ccccc2c1 ZINC000128389767 1031738991 /nfs/dbraw/zinc/73/89/91/1031738991.db2.gz JACWOOQJQINVOO-KRWDZBQOSA-N 0 0 349.438 4.211 10 0 EIAERN Cc1csc(C2CCN(C(=O)/C=C/SCc3ccco3)CC2)n1 ZINC000084924149 1038803728 /nfs/dbraw/zinc/80/37/28/1038803728.db2.gz HFKYEXPQTYPZKM-UXBLZVDNSA-N 0 0 348.493 4.198 10 0 EIAERN CC(C)[C@@H](N[C@H](C)c1ccc2c(c1)CCC2)c1nc(C2CC2)no1 ZINC000089670072 1039083241 /nfs/dbraw/zinc/08/32/41/1039083241.db2.gz PNLXTLBIDMDAMH-FZKQIMNGSA-N 0 0 325.456 4.484 10 0 EIAERN Cc1noc(C2CC2)c1NC(=O)NC1CCC(C(F)(F)F)CC1 ZINC000129625662 1042749168 /nfs/dbraw/zinc/74/91/68/1042749168.db2.gz UWOMPDUDRJSPNX-UHFFFAOYSA-N 0 0 331.338 4.103 10 0 EIAERN C[C@@H](CC(=O)N1CCC[C@@H](c2nccs2)C1)c1ccccc1F ZINC000067046736 1045736682 /nfs/dbraw/zinc/73/66/82/1045736682.db2.gz BEOYOHMRYRYKHI-UONOGXRCSA-N 0 0 332.444 4.182 10 0 EIAERN CC(C)COc1cccc(C(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000067048873 1045738998 /nfs/dbraw/zinc/73/89/98/1045738998.db2.gz IXFJOYBKECMICL-INIZCTEOSA-N 0 0 344.480 4.198 10 0 EIAERN O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCC[C@H](c2nccs2)C1 ZINC000067048493 1045739459 /nfs/dbraw/zinc/73/94/59/1045739459.db2.gz SWPFAWBHQWFDEZ-LBPRGKRZSA-N 0 0 345.855 4.298 10 0 EIAERN Cc1ccc(C(C)(C)C(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000067048349 1045739682 /nfs/dbraw/zinc/73/96/82/1045739682.db2.gz GMDBMFCRTHETLI-HNNXBMFYSA-N 0 0 328.481 4.135 10 0 EIAERN Cc1cc(C(=O)N[C@@H](c2ccccc2)c2ccncc2)c(C)n1C1CC1 ZINC000078387988 1046044497 /nfs/dbraw/zinc/04/44/97/1046044497.db2.gz FBVPAVOPNKIWLN-NRFANRHFSA-N 0 0 345.446 4.354 10 0 EIAERN Fc1ccccc1NC1CCN(Cc2cnc(Cl)s2)CC1 ZINC000079325863 1046207706 /nfs/dbraw/zinc/20/77/06/1046207706.db2.gz FWVPINHVSOMMOZ-UHFFFAOYSA-N 0 0 325.840 4.012 10 0 EIAERN CO[C@H]1CCC[C@H]1n1c(=S)[nH]c2cc(Br)ccc21 ZINC000050375533 214054039 /nfs/dbraw/zinc/05/40/39/214054039.db2.gz ZHIZMWYBERLINR-NEPJUHHUSA-N 0 0 327.247 4.201 10 0 EIAERN CCN[C@H](c1ccc(CC)o1)c1ccc(Br)cc1F ZINC000051727785 214102073 /nfs/dbraw/zinc/10/20/73/214102073.db2.gz NGPNZXPCCLSOGG-HNNXBMFYSA-N 0 0 326.209 4.443 10 0 EIAERN C[C@@H]1C[C@@H](C)CCN1C(=O)c1cc(Br)ccc1Cl ZINC000051734381 214102495 /nfs/dbraw/zinc/10/24/95/214102495.db2.gz LPQCHXGYRCBAHG-VHSXEESVSA-N 0 0 330.653 4.363 10 0 EIAERN CCOc1ccc(C)cc1[C@@H](O)c1ccc(Br)s1 ZINC000051600211 214098064 /nfs/dbraw/zinc/09/80/64/214098064.db2.gz DFMFYHZZRXSZLD-CQSZACIVSA-N 0 0 327.243 4.299 10 0 EIAERN C[C@@H](Nc1c(N)ccc(F)c1F)c1ccc(Br)cc1 ZINC000053166663 214167593 /nfs/dbraw/zinc/16/75/93/214167593.db2.gz DKRZWXRAJGGPPK-MRVPVSSYSA-N 0 0 327.172 4.483 10 0 EIAERN CCCN(CCNc1ccccc1Br)CC(F)(F)F ZINC000053390534 214180065 /nfs/dbraw/zinc/18/00/65/214180065.db2.gz JYEXGBOOEWEZDH-UHFFFAOYSA-N 0 0 339.199 4.135 10 0 EIAERN O=C(Cc1ccc(Br)s1)Cc1cc(F)cc(F)c1 ZINC000053768149 214197434 /nfs/dbraw/zinc/19/74/34/214197434.db2.gz YRCWIHPFJTXLPH-UHFFFAOYSA-N 0 0 331.181 4.143 10 0 EIAERN CCc1ccc2oc(C(=O)Nc3ccc4c(c3)OCCO4)c(C)c2c1 ZINC000054644747 214247590 /nfs/dbraw/zinc/24/75/90/214247590.db2.gz CVHJYAOBZXTJSX-UHFFFAOYSA-N 0 0 337.375 4.327 10 0 EIAERN C[C@@H](c1cccs1)N(C)Cc1c(N)cccc1Br ZINC000049725978 214030405 /nfs/dbraw/zinc/03/04/05/214030405.db2.gz UGNGAOKYVKNDNJ-JTQLQIEISA-N 0 0 325.275 4.286 10 0 EIAERN Cc1ncsc1CCOCc1ccc(Br)cc1F ZINC000049600947 214021192 /nfs/dbraw/zinc/02/11/92/214021192.db2.gz VHVXAOKEMRTCPZ-UHFFFAOYSA-N 0 0 330.222 4.112 10 0 EIAERN FC(F)(F)c1cccc(-c2nnc3ccc(Br)cn32)c1 ZINC000098180272 219086374 /nfs/dbraw/zinc/08/63/74/219086374.db2.gz VDAOUSABYGILKY-UHFFFAOYSA-N 0 0 342.118 4.178 10 0 EIAERN C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5n[nH]cc5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000004430803 210192058 /nfs/dbraw/zinc/19/20/58/210192058.db2.gz OIIHTRLQCQVVQC-OBQKJFGGSA-N 0 0 326.484 4.343 10 0 in-man EIAERN O=C(COc1ccc(Br)cc1)c1cccc(Cl)c1 ZINC000048102180 213887180 /nfs/dbraw/zinc/88/71/80/213887180.db2.gz FYIZLNVOSHYWGK-UHFFFAOYSA-N 0 0 325.589 4.364 10 0 EIAERN Cc1ccc(NC(=O)O[C@@H](C)CNC(=O)Oc2cccc(C)c2)cc1 ZINC000003176177 209974074 /nfs/dbraw/zinc/97/40/74/209974074.db2.gz KPPROVOBVMYODX-HNNXBMFYSA-N 0 0 342.395 4.029 10 0 EIAERN CN(Cc1csc(Br)c1)c1ccc(F)cc1C=O ZINC000042362793 213498065 /nfs/dbraw/zinc/49/80/65/213498065.db2.gz XLZSVOQEHOFUSE-UHFFFAOYSA-N 0 0 328.206 4.099 10 0 EIAERN C[C@H]1CC(C)(C)C[C@@](CO)(Nc2ccc(Br)cc2)C1 ZINC000104031078 219340461 /nfs/dbraw/zinc/34/04/61/219340461.db2.gz QDDWYNAPRJRFRX-LRDDRELGSA-N 0 0 326.278 4.438 10 0 EIAERN O=C(COc1ccc(Cl)cc1)Nc1ccnc2c(F)cccc12 ZINC000041058104 213412609 /nfs/dbraw/zinc/41/26/09/213412609.db2.gz QOKVIVRNQVDHOS-UHFFFAOYSA-N 0 0 330.746 4.045 10 0 EIAERN CCCCC[C@H](Nc1cccc(Br)c1)C(=O)OCC ZINC000104178314 219355565 /nfs/dbraw/zinc/35/55/65/219355565.db2.gz XTVYLIWJZFYHLI-AWEZNQCLSA-N 0 0 328.250 4.373 10 0 EIAERN NC(=S)c1cc(F)ccc1Oc1ccc(Br)cc1 ZINC000104250397 219365700 /nfs/dbraw/zinc/36/57/00/219365700.db2.gz YCJCBQVETIKYSC-UHFFFAOYSA-N 0 0 326.190 4.015 10 0 EIAERN CCOc1cccc2sc(NC(=O)c3ccccc3OCC)nc21 ZINC000040979856 213405833 /nfs/dbraw/zinc/40/58/33/213405833.db2.gz HCJHJBRUACENEB-UHFFFAOYSA-N 0 0 342.420 4.346 10 0 EIAERN CC[NH2+][C@@H](Cc1ccc(OC)cc1)c1sccc1Br ZINC000104295303 219371601 /nfs/dbraw/zinc/37/16/01/219371601.db2.gz APBSKNXFHKOUSG-AWEZNQCLSA-N 0 0 340.286 4.413 10 0 EIAERN CCCCCOc1ccc(NC(=S)NC(=O)c2cccs2)cc1 ZINC000040898427 213398545 /nfs/dbraw/zinc/39/85/45/213398545.db2.gz YITSPUZJKJXPGA-UHFFFAOYSA-N 0 0 348.493 4.444 10 0 EIAERN CCOc1ccccc1OC(=O)/C=C/c1ccc(OCC)c(OC)c1 ZINC000040852935 213393526 /nfs/dbraw/zinc/39/35/26/213393526.db2.gz UAKSRVBXQYPSTD-ACCUITESSA-N 0 0 342.391 4.111 10 0 EIAERN COc1ccccc1Nc1ncnc(Oc2ccc(C)c(C)c2)c1N ZINC000040781601 213385838 /nfs/dbraw/zinc/38/58/38/213385838.db2.gz DENRUEQFSXTZKX-UHFFFAOYSA-N 0 0 336.395 4.220 10 0 EIAERN Nc1c(Nc2ccccn2)ncnc1Nc1cccc(Cl)c1Cl ZINC000040778508 213385958 /nfs/dbraw/zinc/38/59/58/213385958.db2.gz YLRZEBCBWTWHHX-UHFFFAOYSA-N 0 0 347.209 4.248 10 0 EIAERN Nc1c(Nc2cc(Cl)ccc2Cl)ncnc1Oc1cccnc1 ZINC000040778339 213385969 /nfs/dbraw/zinc/38/59/69/213385969.db2.gz YRWIFZGJDPLSEL-UHFFFAOYSA-N 0 0 348.193 4.297 10 0 EIAERN COc1ccc(Oc2ncnc(Nc3ccc(Cl)cc3)c2N)cc1 ZINC000040782228 213387431 /nfs/dbraw/zinc/38/74/31/213387431.db2.gz AGCVBOJQNZTCMC-UHFFFAOYSA-N 0 0 342.786 4.257 10 0 EIAERN Nc1c(Nc2cccc3ccccc32)ncnc1Oc1cccnc1 ZINC000040759004 213383448 /nfs/dbraw/zinc/38/34/48/213383448.db2.gz SDZPDTBCCGFCAP-UHFFFAOYSA-N 0 0 329.363 4.143 10 0 EIAERN CC(C)CN(CC(C)C)c1ncnc(Nc2cc(F)ccc2F)c1N ZINC000040735887 213378398 /nfs/dbraw/zinc/37/83/98/213378398.db2.gz OTCCJNBILWDNNI-UHFFFAOYSA-N 0 0 349.429 4.199 10 0 EIAERN Nc1c(NCc2ccccc2)ncnc1Nc1ccc(Cl)cc1 ZINC000040709295 213373395 /nfs/dbraw/zinc/37/33/95/213373395.db2.gz LKGDLRYMDHNZHB-UHFFFAOYSA-N 0 0 325.803 4.068 10 0 EIAERN Nc1c(NCc2ccccc2)ncnc1Oc1cccc2cccnc21 ZINC000040709242 213373049 /nfs/dbraw/zinc/37/30/49/213373049.db2.gz XJKTWKZIUGRGMA-UHFFFAOYSA-N 0 0 343.390 4.011 10 0 EIAERN Cc1c(Cl)cccc1Nc1ncnc(OC2CCCCC2)c1N ZINC000040701676 213371809 /nfs/dbraw/zinc/37/18/09/213371809.db2.gz KPUSNCZKICQWPU-UHFFFAOYSA-N 0 0 332.835 4.476 10 0 EIAERN Cc1cc(C)cc(Oc2ncnc(N3CCc4ccccc43)c2N)c1 ZINC000040681225 213367756 /nfs/dbraw/zinc/36/77/56/213367756.db2.gz SMYPDAPNDXJBKE-UHFFFAOYSA-N 0 0 332.407 4.162 10 0 EIAERN CCC(CC)[C@@H](C)NC(=O)c1cc(Br)cn1C(C)C ZINC000104439638 219387047 /nfs/dbraw/zinc/38/70/47/219387047.db2.gz FYVILWNYXWVNGR-LLVKDONJSA-N 0 0 329.282 4.386 10 0 EIAERN COC(=O)c1c(NC(=O)CC(C)C)sc(C)c1-c1ccccc1 ZINC000001927318 209807088 /nfs/dbraw/zinc/80/70/88/209807088.db2.gz WHLDSAUSEBEDKE-UHFFFAOYSA-N 0 0 331.437 4.495 10 0 EIAERN COCCn1c(COc2cccc(C)c2)nc2cc(Cl)ccc21 ZINC000040404760 213299431 /nfs/dbraw/zinc/29/94/31/213299431.db2.gz AOVKAIHIVQTDDP-UHFFFAOYSA-N 0 0 330.815 4.224 10 0 EIAERN COCCn1c2ccc(C(F)(F)F)cc2nc1-c1cccs1 ZINC000040404522 213298954 /nfs/dbraw/zinc/29/89/54/213298954.db2.gz CCWCOZCAHWOTGP-UHFFFAOYSA-N 0 0 326.343 4.430 10 0 EIAERN OCCn1c2cc(Cl)ccc2nc1Cc1cccc2ccccc21 ZINC000040401030 213298019 /nfs/dbraw/zinc/29/80/19/213298019.db2.gz VIXRJUSIRCWYNX-UHFFFAOYSA-N 0 0 336.822 4.426 10 0 EIAERN Cc1c(Cl)ccc2c(NC(=O)COc3ccccc3)ccnc12 ZINC000040359175 213293138 /nfs/dbraw/zinc/29/31/38/213293138.db2.gz IDNPUVNYBJIKQH-UHFFFAOYSA-N 0 0 326.783 4.214 10 0 EIAERN CC[C@H](Oc1ccc(C)cc1N)C(=O)c1ccc(Br)cc1 ZINC000040354767 213292342 /nfs/dbraw/zinc/29/23/42/213292342.db2.gz SKKHYOMPUTZAHC-HNNXBMFYSA-N 0 0 348.240 4.380 10 0 EIAERN Cc1nc2cc(C(=O)Nc3ccc(Br)cc3C)ccc2[nH]1 ZINC000040311882 213291087 /nfs/dbraw/zinc/29/10/87/213291087.db2.gz ANQCLCBAWJSCOX-UHFFFAOYSA-N 0 0 344.212 4.195 10 0 EIAERN CCOCc1ccc(C(=O)Nc2ccnc3ccc(Cl)cc32)o1 ZINC000040308384 213290797 /nfs/dbraw/zinc/29/07/97/213290797.db2.gz HZBQMNNHTQKAGD-UHFFFAOYSA-N 0 0 330.771 4.270 10 0 EIAERN Cc1ccc(C(=O)NCc2nc3ccccc3n2CC(C)C)c(C)c1 ZINC000040276199 213287275 /nfs/dbraw/zinc/28/72/75/213287275.db2.gz AXWXEBPGJNJNDW-UHFFFAOYSA-N 0 0 335.451 4.239 10 0 EIAERN CC(C)OC(=O)Cn1c2ccccc2nc1-c1cccc(Cl)c1 ZINC000040250515 213285098 /nfs/dbraw/zinc/28/50/98/213285098.db2.gz SXVAKHJLQOQXBO-UHFFFAOYSA-N 0 0 328.799 4.308 10 0 EIAERN COc1c(Br)cc(Cl)cc1[C@H](O)c1cccs1 ZINC000040242062 213284710 /nfs/dbraw/zinc/28/47/10/213284710.db2.gz FZWXAVMLRJIEQM-NSHDSACASA-N 0 0 333.634 4.254 10 0 EIAERN CCN(CC)C(=O)Cn1c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000040249497 213284734 /nfs/dbraw/zinc/28/47/34/213284734.db2.gz XKOAENGETGKXGM-UHFFFAOYSA-N 0 0 341.842 4.225 10 0 EIAERN COc1cccc(OCCn2c3ccccc3nc2-c2ccco2)c1 ZINC000040239023 213283480 /nfs/dbraw/zinc/28/34/80/213283480.db2.gz ASXVSUQOIHKCHB-UHFFFAOYSA-N 0 0 334.375 4.384 10 0 EIAERN C/C=C/C(=O)NCCCCCc1nc2ccccc2n1CCC(C)C ZINC000040219407 213282395 /nfs/dbraw/zinc/28/23/95/213282395.db2.gz MJVNCOZCKCVEDB-ONNFQVAWSA-N 0 0 341.499 4.488 10 0 EIAERN CCc1nnc(NC(=O)c2cc(-c3ccc(C)cc3)oc2C)s1 ZINC000040178740 213279969 /nfs/dbraw/zinc/27/99/69/213279969.db2.gz WFQSOSRJRIQCLF-UHFFFAOYSA-N 0 0 327.409 4.230 10 0 EIAERN CCc1nnc(NC(=O)c2cc(-c3ccc(F)cc3)oc2C)s1 ZINC000040178844 213280018 /nfs/dbraw/zinc/28/00/18/213280018.db2.gz XOILPMUJBRUAEU-UHFFFAOYSA-N 0 0 331.372 4.060 10 0 EIAERN CCCCO[C@@H](C(=O)c1ccc(Cl)cc1Cl)n1ccnc1 ZINC000039139928 213231585 /nfs/dbraw/zinc/23/15/85/213231585.db2.gz DTCBDIOPEGXSGI-HNNXBMFYSA-N 0 0 327.211 4.388 10 0 EIAERN COc1ccccc1CON1C(=O)CS[C@H]1c1ccc(C)c(C)c1 ZINC000038149958 213203496 /nfs/dbraw/zinc/20/34/96/213203496.db2.gz VACLSIDPOVVRAM-IBGZPJMESA-N 0 0 343.448 4.018 10 0 EIAERN CCc1ccc(C(=O)c2ccc(OC)c(Br)c2)s1 ZINC000038073978 213199778 /nfs/dbraw/zinc/19/97/78/213199778.db2.gz GAQQBVHGBUGPFH-UHFFFAOYSA-N 0 0 325.227 4.313 10 0 EIAERN C[C@H](Nc1ccccc1-n1cncn1)c1ccc(Br)s1 ZINC000038002783 213187387 /nfs/dbraw/zinc/18/73/87/213187387.db2.gz GMRDMCBMKZTYAH-JTQLQIEISA-N 0 0 349.257 4.264 10 0 EIAERN C[C@@H](Nc1cccnc1N(C)C)c1ccc(Br)s1 ZINC000038002772 213186907 /nfs/dbraw/zinc/18/69/07/213186907.db2.gz ODWMSASHUCOZDR-SECBINFHSA-N 0 0 326.263 4.145 10 0 EIAERN CCc1ncc(CNc2cc(Br)ccc2N(C)C)s1 ZINC000037924587 213173734 /nfs/dbraw/zinc/17/37/34/213173734.db2.gz UNUBVRWOBWHMSE-UHFFFAOYSA-N 0 0 340.290 4.146 10 0 EIAERN COc1cc(F)c(C(=O)c2ccc(Br)s2)c(F)c1 ZINC000037903158 213172915 /nfs/dbraw/zinc/17/29/15/213172915.db2.gz VJDGVVWKAYURBS-UHFFFAOYSA-N 0 0 333.153 4.028 10 0 EIAERN Nc1cc(-c2ccc(Br)o2)nn1-c1ccc(Cl)cc1 ZINC000037291228 213139008 /nfs/dbraw/zinc/13/90/08/213139008.db2.gz VSJMEDPBYWDYFU-UHFFFAOYSA-N 0 0 338.592 4.130 10 0 EIAERN CCC(=O)N(Cc1csc(COc2ccc(C)cc2)n1)CC(C)C ZINC000036114630 213070225 /nfs/dbraw/zinc/07/02/25/213070225.db2.gz YYVRWCXKYWKDSL-UHFFFAOYSA-N 0 0 346.496 4.425 10 0 EIAERN Brc1nc(-c2cccs2)sc1Br ZINC000072192896 216068201 /nfs/dbraw/zinc/06/82/01/216068201.db2.gz KIKJUBAQXVDXGX-UHFFFAOYSA-N 0 0 325.050 4.397 10 0 EIAERN COc1ccc(Nc2nc(N3CCCCC3)nc3ccccc32)cc1 ZINC000072261067 216085669 /nfs/dbraw/zinc/08/56/69/216085669.db2.gz WIAGBKSYBGZULT-UHFFFAOYSA-N 0 0 334.423 4.372 10 0 EIAERN COc1ccc(Br)c(C(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)c1 ZINC000031001223 212720675 /nfs/dbraw/zinc/72/06/75/212720675.db2.gz TUDCZINRWWAXMC-PGUXBMHVSA-N 0 0 340.261 4.012 10 0 EIAERN CCOC(=O)c1sc2nc(C)nc(Nc3ccccc3F)c2c1C ZINC000072260925 216085966 /nfs/dbraw/zinc/08/59/66/216085966.db2.gz BIPFAZGJSZZMLL-UHFFFAOYSA-N 0 0 345.399 4.368 10 0 EIAERN Cc1cc(C)c(NCc2ccc(I)o2)c(C)c1 ZINC000037763606 213166059 /nfs/dbraw/zinc/16/60/59/213166059.db2.gz NHGUJQSOGHJPQP-UHFFFAOYSA-N 0 0 341.192 4.422 10 0 EIAERN Cc1ccc(Nc2nc3nccc(-c4ccsc4)c3c(=O)[nH]2)cc1C ZINC000072441177 216235320 /nfs/dbraw/zinc/23/53/20/216235320.db2.gz JUPPCPZQPPMIJN-UHFFFAOYSA-N 0 0 348.431 4.407 10 0 EIAERN COCc1nn2cc3c(nc2c1-c1ccc(C)cc1)CC(C)(C)CC3=O ZINC000072464064 216246687 /nfs/dbraw/zinc/24/66/87/216246687.db2.gz CMTMPQSXQMEGFE-UHFFFAOYSA-N 0 0 349.434 4.006 10 0 EIAERN C[C@H](Nc1ccc(-n2cncn2)cc1)c1ccc(Br)s1 ZINC000038003393 213187303 /nfs/dbraw/zinc/18/73/03/213187303.db2.gz WTYCXIXNIIQCNC-JTQLQIEISA-N 0 0 349.257 4.264 10 0 EIAERN C/C=C/C(=O)Nc1cc(C)nn1-c1nc(-c2ccc(C)cc2)cs1 ZINC000073666806 216410532 /nfs/dbraw/zinc/41/05/32/216410532.db2.gz JSOAYBZKPMNTSR-SNAWJCMRSA-N 0 0 338.436 4.127 10 0 EIAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000022621098 212312529 /nfs/dbraw/zinc/31/25/29/212312529.db2.gz QUSCUEDXOXAWGT-DYVFJYSZSA-N 0 0 344.842 4.123 10 0 EIAERN CC[C@H](C(=S)NC1CCCCC1)N(Cc1ccccc1)C(C)=O ZINC000022130334 212277724 /nfs/dbraw/zinc/27/77/24/212277724.db2.gz CHYGLIFVILWSCD-GOSISDBHSA-N 0 0 332.513 4.063 10 0 EIAERN Fc1cccc(-c2nccn2Cc2cn3cc(Cl)ccc3n2)c1 ZINC000201500510 241040037 /nfs/dbraw/zinc/04/00/37/241040037.db2.gz OBUUFHUXWQIKAS-UHFFFAOYSA-N 0 0 326.762 4.039 10 0 EIAERN O=C(NCc1ccc(F)c(C(F)(F)F)c1)c1cc(Cl)ccc1O ZINC000201356198 241040081 /nfs/dbraw/zinc/04/00/81/241040081.db2.gz FBVWNMKIJYPZGE-UHFFFAOYSA-N 0 0 347.695 4.134 10 0 EIAERN Nc1cccc(Cl)c1NC(=O)CSc1ccc(Cl)cc1 ZINC000226359569 242100714 /nfs/dbraw/zinc/10/07/14/242100714.db2.gz HASGGTOYBDJCKN-UHFFFAOYSA-N 0 0 327.236 4.306 10 0 EIAERN CCCOc1cccc(C(=O)Nc2ccc(N(CC)CC)c(N)c2)c1 ZINC000226267913 242092068 /nfs/dbraw/zinc/09/20/68/242092068.db2.gz AAOORINUNMWBOP-UHFFFAOYSA-N 0 0 341.455 4.156 10 0 EIAERN CCN(CC)c1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1N ZINC000226268021 242092527 /nfs/dbraw/zinc/09/25/27/242092527.db2.gz OVXQDCPPFQDODA-UHFFFAOYSA-N 0 0 341.455 4.155 10 0 EIAERN CCN(CC)c1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1N ZINC000226265498 242092834 /nfs/dbraw/zinc/09/28/34/242092834.db2.gz NYMNNLXCOPXKPK-UHFFFAOYSA-N 0 0 325.456 4.491 10 0 EIAERN CCN(C(=O)C(F)(F)F)c1ccc(-c2nc3ccccc3o2)cc1 ZINC000226284633 242095048 /nfs/dbraw/zinc/09/50/48/242095048.db2.gz MZXBJOHTHDHKRN-UHFFFAOYSA-N 0 0 334.297 4.410 10 0 EIAERN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(-c3ccc(Cl)c(N)c3)o2)C1 ZINC000226301510 242095689 /nfs/dbraw/zinc/09/56/89/242095689.db2.gz ZCBGOBKRWZUCNX-TXEJJXNPSA-N 0 0 332.831 4.300 10 0 EIAERN Nc1nc2c(cc(NC(=O)/C=C/c3ccccc3)cc2Cl)s1 ZINC000226314245 242098697 /nfs/dbraw/zinc/09/86/97/242098697.db2.gz NXANPUHGMZHYKH-VOTSOKGWSA-N 0 0 329.812 4.184 10 0 EIAERN CC(C)(C)OC(=O)N(Cc1ccc(Br)cc1)[C@H]1C[C@@H]1F ZINC000230550233 242262735 /nfs/dbraw/zinc/26/27/35/242262735.db2.gz HETJQERBQANULE-STQMWFEESA-N 0 0 344.224 4.297 10 0 EIAERN Nc1cc(Br)ccc1NC(=O)CCCc1cccs1 ZINC000020520857 212142031 /nfs/dbraw/zinc/14/20/31/212142031.db2.gz QMLGHIAVORIOFY-UHFFFAOYSA-N 0 0 339.258 4.054 10 0 EIAERN CC(C)c1ccc(-c2csc3ncnc(NC[C@H](C)O)c23)cc1 ZINC000020322178 212119236 /nfs/dbraw/zinc/11/92/36/212119236.db2.gz QKXVQGBXJVDSAK-LBPRGKRZSA-N 0 0 327.453 4.274 10 0 EIAERN Nc1ccc(OCc2ccc(F)c(Br)c2)c(Cl)c1 ZINC000019438397 212028229 /nfs/dbraw/zinc/02/82/29/212028229.db2.gz MURKVOLUYDFBBV-UHFFFAOYSA-N 0 0 330.584 4.403 10 0 EIAERN C[C@@H](Nc1ncc(Br)cc1N)c1ccc(Cl)cc1 ZINC000049525027 214014309 /nfs/dbraw/zinc/01/43/09/214014309.db2.gz MDOZUELUOZDFCK-MRVPVSSYSA-N 0 0 326.625 4.253 10 0 EIAERN O=C(Cn1c(-c2cccs2)cc2ccccc21)NCc1cccnc1 ZINC000015679516 211843254 /nfs/dbraw/zinc/84/32/54/211843254.db2.gz PUKHKWFFVDCMQS-UHFFFAOYSA-N 0 0 347.443 4.081 10 0 EIAERN Cc1ccc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)c(Cl)c1 ZINC000015500495 211828219 /nfs/dbraw/zinc/82/82/19/211828219.db2.gz TYOKDTCXBHMBBZ-OAHLLOKOSA-N 0 0 346.839 4.090 10 0 EIAERN Cc1cccc(NC(=S)NC(=O)C=Cc2ccccc2Cl)c1C ZINC000012403334 211368787 /nfs/dbraw/zinc/36/87/87/211368787.db2.gz VHWGOQXINSWJCG-ZHACJKMWSA-N 0 0 344.867 4.483 10 0 EIAERN CC(C)(C)OC(=O)n1ccc2ccc(I)cc21 ZINC000091297126 217990877 /nfs/dbraw/zinc/99/08/77/217990877.db2.gz XUZRBAUXEQTMDV-UHFFFAOYSA-N 0 0 343.164 4.029 10 0 EIAERN COc1ccc(OCCC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000011637404 211228114 /nfs/dbraw/zinc/22/81/14/211228114.db2.gz CLYAZLUAQHAKOG-UHFFFAOYSA-N 0 0 340.206 4.410 10 0 EIAERN CCC(=O)Oc1c(C)s/c(=N\c2ccccc2CC)n1C(=O)CC ZINC000011638107 211228223 /nfs/dbraw/zinc/22/82/23/211228223.db2.gz WQOSWOIRRNIUIW-HNENSFHCSA-N 0 0 346.452 4.018 10 0 EIAERN CCC(=O)Oc1c(C)s/c(=N\c2ccc(C)cc2C)n1C(=O)CC ZINC000011638110 211227819 /nfs/dbraw/zinc/22/78/19/211227819.db2.gz RCHBBHGTDTWGHO-HNENSFHCSA-N 0 0 346.452 4.073 10 0 EIAERN C[C@H](OCCC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1cnccn1 ZINC000095089515 218279344 /nfs/dbraw/zinc/27/93/44/218279344.db2.gz VZHRNGFYUGGDJG-HOTGVXAUSA-N 0 0 349.475 4.124 10 0 EIAERN Cc1ccc(Nc2c3[nH]cccc-3c(=O)n2Cc2ccccc2)cc1F ZINC000004960553 210340941 /nfs/dbraw/zinc/34/09/41/210340941.db2.gz ZHFSUBGFEOOCRB-HXUWFJFHSA-N 0 0 347.393 4.296 10 0 EIAERN C[C@]12CC[C@H]3[C@@H](C=CC4=C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@]21CCC(=O)O1 ZINC000118914491 221203279 /nfs/dbraw/zinc/20/32/79/221203279.db2.gz BFKPXLDFMBGVDL-BSMDRJKDSA-N 0 0 342.479 4.162 10 0 EIAERN Cc1ccc([C@@H](C)NC(=O)N[C@H]2CCSc3c(F)cccc32)o1 ZINC000119440164 221321535 /nfs/dbraw/zinc/32/15/35/221321535.db2.gz YXAULBKKZWNJIW-RISCZKNCSA-N 0 0 334.416 4.324 10 0 EIAERN C[C@H](Oc1cccc(F)c1)c1nnc([C@H]2CCO[C@@H]2C(C)(C)C)o1 ZINC000299742324 258009116 /nfs/dbraw/zinc/00/91/16/258009116.db2.gz BFCOPISOZGCZOS-CQDKDKBSSA-N 0 0 334.391 4.267 10 0 EIAERN Cc1ccc([C@@H]2CCCCN2C(=O)Nc2nnc(C(F)F)s2)o1 ZINC000158424054 225012545 /nfs/dbraw/zinc/01/25/45/225012545.db2.gz QUVXHQMXUXZIMA-VIFPVBQESA-N 0 0 342.371 4.136 10 0 EIAERN O=C(Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1)c1ccncc1 ZINC000164788665 226098582 /nfs/dbraw/zinc/09/85/82/226098582.db2.gz PMAXGPDOUUTNPG-UHFFFAOYSA-N 0 0 332.338 4.016 10 0 EIAERN CCCN(CCC)c1ccc(N)cc1C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000226323648 535327704 /nfs/dbraw/zinc/32/77/04/535327704.db2.gz RBGQUEQGSMFLFC-IYBDPMFKSA-N 0 0 331.504 4.013 10 0 EIAERN CCCN(CCC)c1ccc(N)cc1C(=O)N1[C@H](C)CCC[C@H]1C ZINC000226323643 535327865 /nfs/dbraw/zinc/32/78/65/535327865.db2.gz CEIOJRKNTZTLKK-HZPDHXFCSA-N 0 0 331.504 4.298 10 0 EIAERN O=C(Nc1c(Cl)cccc1Cl)c1cccnc1Br ZINC000048545836 563930582 /nfs/dbraw/zinc/93/05/82/563930582.db2.gz SRSBPAIVFXKFJN-UHFFFAOYSA-N 0 0 346.011 4.403 10 0 EIAERN CCc1nc2ccc(I)cc2c(CC)c1C ZINC000669371959 568420389 /nfs/dbraw/zinc/42/03/89/568420389.db2.gz CQAZAFCNXDQRBO-UHFFFAOYSA-N 0 0 325.193 4.273 10 0 EIAERN S=C(NC1CCCCC1)N(C[C@H]1CCCO1)C[C@@H]1CC=CCC1 ZINC000017070794 563833265 /nfs/dbraw/zinc/83/32/65/563833265.db2.gz NRYDHILURJZGGR-SJLPKXTDSA-N 0 0 336.545 4.031 10 0 EIAERN CCOC(=O)[C@H]1c2ccc(F)cc2CCN1c1ccc(Cl)cc1 ZINC000002527053 564065667 /nfs/dbraw/zinc/06/56/67/564065667.db2.gz KBTNNTIUTQHWSW-QGZVFWFLSA-N 0 0 333.790 4.146 10 0 EIAERN FC(F)(F)c1ccc(N2CCOCC2)c(NCc2ccccc2)c1 ZINC000226240728 564117147 /nfs/dbraw/zinc/11/71/47/564117147.db2.gz ZXVOVOHDFUNCAP-UHFFFAOYSA-N 0 0 336.357 4.154 10 0 EIAERN COc1cc(CCC(=O)Nc2ccc(C)cc2)cc(Cl)c1OC ZINC000048544612 564129346 /nfs/dbraw/zinc/12/93/46/564129346.db2.gz UTJIBBWHZPOWQP-UHFFFAOYSA-N 0 0 333.815 4.237 10 0 EIAERN CC[C@@H](NC(=O)OC(C)(C)C)C(=O)C[C@H](C)COCc1ccccc1 ZINC000685961212 564177160 /nfs/dbraw/zinc/17/71/60/564177160.db2.gz DGVGHGFPQISEKN-DOTOQJQBSA-N 0 0 349.471 4.102 10 0 EIAERN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)CCCOCc1ccccc1 ZINC000405586176 564177605 /nfs/dbraw/zinc/17/76/05/564177605.db2.gz HKKPYHZSJKLMMI-GOSISDBHSA-N 0 0 349.471 4.102 10 0 EIAERN C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)CCCOCc1ccccc1 ZINC000405806574 564177629 /nfs/dbraw/zinc/17/76/29/564177629.db2.gz CPXFIEJLUATLCV-HZPDHXFCSA-N 0 0 349.471 4.102 10 0 EIAERN Cc1csc(C2CCN(C(=O)C[C@H](C)c3ccccc3)CC2)n1 ZINC000102646716 1022594772 /nfs/dbraw/zinc/59/47/72/1022594772.db2.gz JMFZDDUMHDTTGP-AWEZNQCLSA-N 0 0 328.481 4.351 10 0 EIAERN Cc1c2cccc(Cl)c2oc1C(=O)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000121486312 1027770499 /nfs/dbraw/zinc/77/04/99/1027770499.db2.gz HLMSIPPXJFUYOU-DOMZBBRYSA-N 0 0 333.815 4.036 10 0 EIAERN CCc1cccc(C)c1NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000114804378 1029613075 /nfs/dbraw/zinc/61/30/75/1029613075.db2.gz LKUORTOEAGWDFQ-OAHLLOKOSA-N 0 0 329.469 4.425 10 0 EIAERN CSc1ccccc1NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000114805307 1029615266 /nfs/dbraw/zinc/61/52/66/1029615266.db2.gz QDCSUKNCFOSXST-LBPRGKRZSA-N 0 0 333.482 4.277 10 0 EIAERN O=C(Nc1cccc(Cl)c1F)N1CCC[C@H](c2nccs2)C1 ZINC000114806085 1029616635 /nfs/dbraw/zinc/61/66/35/1029616635.db2.gz GYHDRFLZOVXKCM-JTQLQIEISA-N 0 0 339.823 4.347 10 0 EIAERN CC(C)(C)[C@@H](NC(=O)N1CCC[C@H](c2cc[nH]n2)C1)c1cccs1 ZINC000114935961 1030276119 /nfs/dbraw/zinc/27/61/19/1030276119.db2.gz CRELNJJQBKOSST-BBRMVZONSA-N 0 0 346.500 4.148 10 0 EIAERN COc1cccc([C@@H](C)C(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000117721304 1031206717 /nfs/dbraw/zinc/20/67/17/1031206717.db2.gz MLIWPLWQCYHXLV-CQSZACIVSA-N 0 0 327.449 4.176 10 0 EIAERN O=C(c1ccccc1OC(F)F)N1CC=C(c2cccs2)CC1 ZINC000117721031 1031207696 /nfs/dbraw/zinc/20/76/96/1031207696.db2.gz HTXSXVMBOFGHBD-UHFFFAOYSA-N 0 0 335.375 4.279 10 0 EIAERN O=C(N[C@H]1CCCOc2ccccc21)N1CCC[C@@H]1c1ccco1 ZINC000116426731 1031383570 /nfs/dbraw/zinc/38/35/70/1031383570.db2.gz WYUSJFBBWCCMNM-JKSUJKDBSA-N 0 0 326.396 4.040 10 0 EIAERN C[C@@H](CC(=O)Nc1cccc(-c2ncon2)c1)c1cccc(F)c1 ZINC000116186407 1031385170 /nfs/dbraw/zinc/38/51/70/1031385170.db2.gz PKBBPCSWHLDVTI-LBPRGKRZSA-N 0 0 325.343 4.008 10 0 EIAERN Cc1c2cccc(Cl)c2oc1C(=O)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000121486606 1031438536 /nfs/dbraw/zinc/43/85/36/1031438536.db2.gz HLMSIPPXJFUYOU-WFASDCNBSA-N 0 0 333.815 4.036 10 0 EIAERN O=C(Nc1cccc(NC(=O)[C@@H]2C[C@@H]2c2ccco2)c1)c1ccccc1 ZINC000121794291 1031439028 /nfs/dbraw/zinc/43/90/28/1031439028.db2.gz FOSBGEOGXXZBNQ-ZWKOTPCHSA-N 0 0 346.386 4.274 10 0 EIAERN CC(C)c1cccc2c1OCCC[C@H]2NCc1nccn1C(F)F ZINC000122107034 1031445961 /nfs/dbraw/zinc/44/59/61/1031445961.db2.gz DYKSIZLJFCESJX-OAHLLOKOSA-N 0 0 335.398 4.405 10 0 EIAERN CCCOc1ccc(NC(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000125109751 1031575232 /nfs/dbraw/zinc/57/52/32/1031575232.db2.gz CNDMJMKCXBUTIX-AWEZNQCLSA-N 0 0 345.468 4.343 10 0 EIAERN O=C(Nc1ccc(F)nc1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000126878464 1031665943 /nfs/dbraw/zinc/66/59/43/1031665943.db2.gz PYCKOGLYEZMUEP-UHFFFAOYSA-N 0 0 336.370 4.023 10 0 EIAERN Cc1csc(C2CCN(C(=O)[C@@H]3C[C@@H]3c3sccc3C)CC2)n1 ZINC000119312481 1031871836 /nfs/dbraw/zinc/87/18/36/1031871836.db2.gz RAMPLPWMJHFCND-LSDHHAIUSA-N 0 0 346.521 4.331 10 0 EIAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)n1 ZINC000120031875 1032012725 /nfs/dbraw/zinc/01/27/25/1032012725.db2.gz ZADNZWAEVPFICL-CXAGYDPISA-N 0 0 347.409 4.310 10 0 EIAERN Clc1ccc([C@H](NCc2ccccc2Cl)c2ncon2)cc1 ZINC000090202451 1039201979 /nfs/dbraw/zinc/20/19/79/1039201979.db2.gz KAYBVKMYPHSWKZ-HNNXBMFYSA-N 0 0 334.206 4.256 10 0 EIAERN COc1cc(CN2CC=C(c3cccs3)CC2)cc(OC)c1OC ZINC000093533803 1039707630 /nfs/dbraw/zinc/70/76/30/1039707630.db2.gz RXAFMMONHAVBHJ-UHFFFAOYSA-N 0 0 345.464 4.063 10 0 EIAERN O=C(c1ccsc1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113219478 1043294634 /nfs/dbraw/zinc/29/46/34/1043294634.db2.gz IXUJSCAUZUUNIT-HNNXBMFYSA-N 0 0 337.448 4.158 10 0 EIAERN CC[C@H](NC(=O)N1CCO[C@H](c2cccc(F)c2)C1)c1cccs1 ZINC000067406592 1045742582 /nfs/dbraw/zinc/74/25/82/1045742582.db2.gz DRWRZHBOJPNTJB-HOTGVXAUSA-N 0 0 348.443 4.121 10 0 EIAERN CCOc1cccc([C@@H](O)Cc2cc(Br)cs2)c1 ZINC000053781490 214197331 /nfs/dbraw/zinc/19/73/31/214197331.db2.gz KNCYNSBRFGGBDC-AWEZNQCLSA-N 0 0 327.243 4.185 10 0 EIAERN Nc1c2cc(Br)ccc2oc1C(=O)Nc1ccccc1 ZINC000053993897 214208712 /nfs/dbraw/zinc/20/87/12/214208712.db2.gz CRUZIOQXVLEOGQ-UHFFFAOYSA-N 0 0 331.169 4.030 10 0 EIAERN Cc1ccc(-c2[nH]nc(N)c2-c2ccccc2Br)s1 ZINC000055334073 214308361 /nfs/dbraw/zinc/30/83/61/214308361.db2.gz AXKWNALDIUKDNC-UHFFFAOYSA-N 0 0 334.242 4.458 10 0 EIAERN FC(F)(F)c1ccc(CNc2nc3c(c(Cl)n2)CCC3)cc1 ZINC000057343353 214420032 /nfs/dbraw/zinc/42/00/32/214420032.db2.gz ULMOXXWDUPXYDY-UHFFFAOYSA-N 0 0 327.737 4.250 10 0 EIAERN Clc1nc(NCCc2c[nH]c3ccccc23)nc2c1CCCC2 ZINC000057345787 214420060 /nfs/dbraw/zinc/42/00/60/214420060.db2.gz RRBSQWWQLKPAAH-UHFFFAOYSA-N 0 0 326.831 4.145 10 0 EIAERN CC(C)(C)[S@](=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000098095564 219082760 /nfs/dbraw/zinc/08/27/60/219082760.db2.gz MPLDQKWWOQENQW-CFMSYZGJSA-N 0 0 331.762 4.134 10 0 EIAERN O=c1[nH]c(NCc2cnc(-c3ccccc3)s2)cc2ccccc21 ZINC000098178533 219086307 /nfs/dbraw/zinc/08/63/07/219086307.db2.gz CMFIWGMTQHIBIU-UHFFFAOYSA-N 0 0 333.416 4.264 10 0 EIAERN O=C1Cc2ccc(-c3ccccc3)cc2C(=O)N1OCc1ccccc1 ZINC000098181240 219086579 /nfs/dbraw/zinc/08/65/79/219086579.db2.gz CRDJJFZRUUIJTJ-UHFFFAOYSA-N 0 0 343.382 4.010 10 0 EIAERN O=C1Nc2cc(Br)ccc2/C1=C/c1cc2c([nH]1)CCCC2 ZINC000100186195 219094133 /nfs/dbraw/zinc/09/41/33/219094133.db2.gz GTHBLVVCPDXRRZ-ZROIWOOFSA-N 0 0 343.224 4.149 10 0 EIAERN COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@@]3(C[C@@H]4O)CC[C@H]12 ZINC000004104842 210120902 /nfs/dbraw/zinc/12/09/02/210120902.db2.gz LYFJGTIFFFMUCR-RWRVNDKOSA-N 0 0 334.500 4.323 10 0 EIAERN S=C1N=NC(Br)N1c1ccc(C2CC2)c2ccccc21 ZINC000066054630 215004528 /nfs/dbraw/zinc/00/45/28/215004528.db2.gz DMAJCLCFJTWPDG-UHFFFAOYSA-N 0 0 346.253 4.349 10 0 EIAERN O=[S@@](Cc1nnsc1Cl)C(c1ccccc1)c1ccccc1 ZINC000066298027 215032315 /nfs/dbraw/zinc/03/23/15/215032315.db2.gz GBKRTXBVVINPFJ-JOCHJYFZSA-N 0 0 348.880 4.230 10 0 EIAERN Cc1noc(C)c1COc1ccc(C(=O)Nc2cccc(C)c2)cc1 ZINC000003359376 210017673 /nfs/dbraw/zinc/01/76/73/210017673.db2.gz JFIOBYNQEPXSHL-UHFFFAOYSA-N 0 0 336.391 4.431 10 0 EIAERN CCOc1ccc(O[C@@H](C)C(=O)Nc2c(C)cccc2CC)cc1 ZINC000042081781 213478087 /nfs/dbraw/zinc/47/80/87/213478087.db2.gz IPCGHXBCRZTOBJ-HNNXBMFYSA-N 0 0 327.424 4.362 10 0 EIAERN COC(=O)c1cc(Cl)c2c(Br)ccc(Cl)c2n1 ZINC000103917504 219329406 /nfs/dbraw/zinc/32/94/06/219329406.db2.gz LMBMIAXVCLCTTB-UHFFFAOYSA-N 0 0 334.984 4.091 10 0 EIAERN CNc1ccc(Cl)c(COc2ccc(Br)cc2C)n1 ZINC000103980076 219335587 /nfs/dbraw/zinc/33/55/87/219335587.db2.gz YJJHFBIFHMJSLT-UHFFFAOYSA-N 0 0 341.636 4.427 10 0 EIAERN COc1ccc(Br)cc1-c1nc(Cl)cc(C2CC2)n1 ZINC000104057872 219344031 /nfs/dbraw/zinc/34/40/31/219344031.db2.gz ZVHLVRYVCRPVGS-UHFFFAOYSA-N 0 0 339.620 4.446 10 0 EIAERN CCOc1cc(Oc2ccc(F)cc2Br)ccc1N ZINC000104249366 219365749 /nfs/dbraw/zinc/36/57/49/219365749.db2.gz RVZALIYAODVFAK-UHFFFAOYSA-N 0 0 326.165 4.361 10 0 EIAERN CCc1c(N)c(C(=O)OC)sc1-c1sccc1Br ZINC000104290396 219370315 /nfs/dbraw/zinc/37/03/15/219370315.db2.gz DBUWRWVNAJZOPV-UHFFFAOYSA-N 0 0 346.271 4.170 10 0 EIAERN Nc1c(Nc2ccc(F)c(F)c2)ncnc1Nc1cc(F)ccc1F ZINC000040800118 213389072 /nfs/dbraw/zinc/38/90/72/213389072.db2.gz IIZPJNFNDXALJZ-UHFFFAOYSA-N 0 0 349.291 4.102 10 0 EIAERN Nc1c(Nc2ccc(Cl)cc2Cl)ncnc1Oc1cccnc1 ZINC000040783314 213387377 /nfs/dbraw/zinc/38/73/77/213387377.db2.gz ZNFGQTYSHATZPA-UHFFFAOYSA-N 0 0 348.193 4.297 10 0 EIAERN Nc1c(Nc2ccc(F)c(F)c2)ncnc1Sc1ccccc1 ZINC000040783232 213387123 /nfs/dbraw/zinc/38/71/23/213387123.db2.gz FIURROFOQSYKOZ-UHFFFAOYSA-N 0 0 330.363 4.232 10 0 EIAERN Nc1c(Nc2cc(F)ccc2F)ncnc1Sc1ccccc1 ZINC000040783230 213387228 /nfs/dbraw/zinc/38/72/28/213387228.db2.gz ISJAVVQJSXOMPZ-UHFFFAOYSA-N 0 0 330.363 4.232 10 0 EIAERN Nc1c(Nc2ccccc2)ncnc1Oc1cccc2cccnc21 ZINC000040752134 213381320 /nfs/dbraw/zinc/38/13/20/213381320.db2.gz GHUIVJMGDHFAFF-UHFFFAOYSA-N 0 0 329.363 4.143 10 0 EIAERN Nc1c(Nc2cccc3cccnc32)ncnc1NC1CCCCCC1 ZINC000040758485 213383235 /nfs/dbraw/zinc/38/32/35/213383235.db2.gz VIFCWENNMLSTQP-UHFFFAOYSA-N 0 0 348.454 4.485 10 0 EIAERN CCN(CC)c1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1N ZINC000040723363 213376633 /nfs/dbraw/zinc/37/66/33/213376633.db2.gz IZVLEDIVFHZLHS-UHFFFAOYSA-N 0 0 349.438 4.441 10 0 EIAERN Cc1nc(Nc2ncnc(Nc3cc(C)ccc3C)c2N)sc1C ZINC000040704570 213371245 /nfs/dbraw/zinc/37/12/45/213371245.db2.gz CMWIFCNUMRMUSL-UHFFFAOYSA-N 0 0 340.456 4.236 10 0 EIAERN Nc1c(Nc2ccc(Cl)c(Cl)c2)ncnc1Nc1ccccn1 ZINC000040704105 213372168 /nfs/dbraw/zinc/37/21/68/213372168.db2.gz SCDLDIXXCXWQIR-UHFFFAOYSA-N 0 0 347.209 4.248 10 0 EIAERN Nc1c(Nc2cc(Cl)cc(Cl)c2)ncnc1Oc1cccnc1 ZINC000040701124 213371749 /nfs/dbraw/zinc/37/17/49/213371749.db2.gz MFDNWNYYBIEPMK-UHFFFAOYSA-N 0 0 348.193 4.297 10 0 EIAERN CC(C)Nc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1N ZINC000040682398 213367508 /nfs/dbraw/zinc/36/75/08/213367508.db2.gz FMDZQIHFCWHTSQ-UHFFFAOYSA-N 0 0 345.756 4.295 10 0 EIAERN CC(C)(C)Nc1ncnc(NN(c2ccccc2)c2ccccc2)c1N ZINC000040680565 213367457 /nfs/dbraw/zinc/36/74/57/213367457.db2.gz QLUVJHFPRWFPTO-UHFFFAOYSA-N 0 0 348.454 4.434 10 0 EIAERN CC[C@@H](C)c1csc(N(C)C(=O)c2ccc3c(c2)OCCCO3)n1 ZINC000069386041 215396513 /nfs/dbraw/zinc/39/65/13/215396513.db2.gz OXSOFCZROUYVQO-GFCCVEGCSA-N 0 0 346.452 4.095 10 0 EIAERN Cc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2CCO)c(C)c1 ZINC000040400932 213297447 /nfs/dbraw/zinc/29/74/47/213297447.db2.gz JJEBKISBFFOFRJ-UHFFFAOYSA-N 0 0 334.341 4.331 10 0 EIAERN CC[NH+](CC)CCn1c2ccc(C(=O)[O-])cc2nc1C1CCCCC1 ZINC000040405471 213299144 /nfs/dbraw/zinc/29/91/44/213299144.db2.gz AFDJMWIAHQFUII-UHFFFAOYSA-N 0 0 343.471 4.124 10 0 EIAERN CC(C)(C)NC(=O)Cn1c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000040307321 213290230 /nfs/dbraw/zinc/29/02/30/213290230.db2.gz NWJJHVALFREGRK-UHFFFAOYSA-N 0 0 341.842 4.271 10 0 EIAERN Cc1ccc(NC(=O)Cn2c3ccccc3nc2-c2ccco2)cc1 ZINC000040307838 213289907 /nfs/dbraw/zinc/28/99/07/213289907.db2.gz MMYGZADERXJBOO-UHFFFAOYSA-N 0 0 331.375 4.243 10 0 EIAERN CC(C)C(=O)NCc1nc2ccccc2n1Cc1ccc(Cl)cc1 ZINC000040274704 213286764 /nfs/dbraw/zinc/28/67/64/213286764.db2.gz UMDUYNASYLQIFW-UHFFFAOYSA-N 0 0 341.842 4.010 10 0 EIAERN Cc1cc(C)c2nc(C)cc(NC(=O)c3cccc(N(C)C)c3)c2c1 ZINC000040177094 213279101 /nfs/dbraw/zinc/27/91/01/213279101.db2.gz XYPUFQOKNJFFBG-UHFFFAOYSA-N 0 0 333.435 4.478 10 0 EIAERN Nc1ccc(NC(=O)COc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000038001340 213185892 /nfs/dbraw/zinc/18/58/92/213185892.db2.gz ULZDRRCVNAYOFT-UHFFFAOYSA-N 0 0 345.613 4.247 10 0 EIAERN C[C@@H](NC(=O)c1c[nH]c2ccccc12)c1cccc(Br)c1 ZINC000038012678 213188217 /nfs/dbraw/zinc/18/82/17/213188217.db2.gz SVJGXZHSVIFXNC-LLVKDONJSA-N 0 0 343.224 4.421 10 0 EIAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cnc(Cl)c(Cl)c1 ZINC000037981472 213181477 /nfs/dbraw/zinc/18/14/77/213181477.db2.gz HYQRLJVSPROJEG-RKDXNWHRSA-N 0 0 341.160 4.239 10 0 EIAERN CCc1ncc(CNc2c(C)cc(Br)cc2OC)s1 ZINC000037924727 213174308 /nfs/dbraw/zinc/17/43/08/213174308.db2.gz CPXURKGTMOIEJD-UHFFFAOYSA-N 0 0 341.274 4.397 10 0 EIAERN O=C(NCc1ccc(Cl)cc1)c1cc2c(nc3sccn23)s1 ZINC000037868425 213171843 /nfs/dbraw/zinc/17/18/43/213171843.db2.gz CATGYEMZWVBEBS-UHFFFAOYSA-N 0 0 347.852 4.194 10 0 EIAERN Cn1c2ccc(Br)cc2nc1-c1ccc(Cl)c(N)c1 ZINC000037441297 213146999 /nfs/dbraw/zinc/14/69/99/213146999.db2.gz YIKIFECLZLUMLY-UHFFFAOYSA-N 0 0 336.620 4.238 10 0 EIAERN COC(=O)c1occc1CNc1ccc(Br)cc1Cl ZINC000037252889 213136881 /nfs/dbraw/zinc/13/68/81/213136881.db2.gz AZURQNGOPWGZGL-UHFFFAOYSA-N 0 0 344.592 4.094 10 0 EIAERN COc1ccc(C(=O)c2cc(F)ccc2Br)c(Cl)c1 ZINC000036767386 213117750 /nfs/dbraw/zinc/11/77/50/213117750.db2.gz LTMMKOFMJDSPFQ-UHFFFAOYSA-N 0 0 343.579 4.481 10 0 EIAERN CN(C(=S)NC(=O)/C=C\c1ccccc1Cl)C1CCCCC1 ZINC000035681081 213046100 /nfs/dbraw/zinc/04/61/00/213046100.db2.gz BNEAXTQWHXGKBT-QXMHVHEDSA-N 0 0 336.888 4.019 10 0 EIAERN CCCN[C@H](c1ccc(OC)c(Br)c1)C(F)(F)F ZINC000035572494 213038774 /nfs/dbraw/zinc/03/87/74/213038774.db2.gz PLCCHGQKGGWMGR-LLVKDONJSA-N 0 0 326.156 4.061 10 0 EIAERN CN[C@@H](c1ccc(F)cc1F)c1ccc(F)cc1Br ZINC000035492110 213032803 /nfs/dbraw/zinc/03/28/03/213032803.db2.gz XKSLBHHUXUQPDL-CQSZACIVSA-N 0 0 330.147 4.175 10 0 EIAERN Nc1n[nH]c2cccc(-c3ccc(NC(=O)NC4CCCCC4)cc3)c12 ZINC000035324439 213021513 /nfs/dbraw/zinc/02/15/13/213021513.db2.gz PWMRBRJJDDUSHP-UHFFFAOYSA-N 0 0 349.438 4.266 10 0 EIAERN Brc1c(I)sc2ccsc12 ZINC000072188031 216068031 /nfs/dbraw/zinc/06/80/31/216068031.db2.gz CCZBIKNMIGEBIF-UHFFFAOYSA-N 0 0 345.024 4.330 10 0 EIAERN C[C@@H](NC(=O)Cc1ccc(F)cc1)c1cccc(Br)c1 ZINC000030468091 212698759 /nfs/dbraw/zinc/69/87/59/212698759.db2.gz YUAURLOQXCIBHB-LLVKDONJSA-N 0 0 336.204 4.008 10 0 EIAERN O=C(NC1CCCCCC1)c1ccc(-c2ccc(Cl)cc2)[nH]c1=O ZINC000072450854 216239006 /nfs/dbraw/zinc/23/90/06/216239006.db2.gz GVWXUUIJKAGNFA-UHFFFAOYSA-N 0 0 344.842 4.148 10 0 EIAERN Cc1ccc(-c2ccnc3nc(SCc4ccccc4)nn32)cc1 ZINC000072439847 216234229 /nfs/dbraw/zinc/23/42/29/216234229.db2.gz MFFRTEVGSNTRSC-UHFFFAOYSA-N 0 0 332.432 4.392 10 0 EIAERN Cc1ccc(Nc2nc3nccc(-c4cccs4)c3c(=O)[nH]2)c(C)c1 ZINC000072441140 216235315 /nfs/dbraw/zinc/23/53/15/216235315.db2.gz BLOLWKZLDYAOMC-UHFFFAOYSA-N 0 0 348.431 4.407 10 0 EIAERN Cc1nnc(NCc2ccc(Br)s2)c2ccccc12 ZINC000026726406 212532171 /nfs/dbraw/zinc/53/21/71/212532171.db2.gz LYYOGYDQXROBPS-UHFFFAOYSA-N 0 0 334.242 4.374 10 0 EIAERN C[C@@H](Nc1ccc(-n2nccn2)cc1)c1ccc(Br)s1 ZINC000038003144 213187244 /nfs/dbraw/zinc/18/72/44/213187244.db2.gz NREILVFJHLJJSG-SNVBAGLBSA-N 0 0 349.257 4.264 10 0 EIAERN Fc1ccc(Br)c(CN[C@@H]2CCOc3ccccc32)c1 ZINC000038039017 213195826 /nfs/dbraw/zinc/19/58/26/213195826.db2.gz OKMRVAJGBQAIFE-OAHLLOKOSA-N 0 0 336.204 4.202 10 0 EIAERN O=C(N[C@H]1CCCC[C@H]1C(F)(F)F)c1nc(Cl)ccc1Cl ZINC000022763074 212322248 /nfs/dbraw/zinc/32/22/48/212322248.db2.gz AWEYIQHYEQZWLS-APPZFPTMSA-N 0 0 341.160 4.239 10 0 EIAERN Cc1cc(-n2c(C)cc(C(=O)Nc3cccc(Cl)c3F)c2C)no1 ZINC000022307585 212289153 /nfs/dbraw/zinc/28/91/53/212289153.db2.gz FUTPJJASVYSJBX-UHFFFAOYSA-N 0 0 347.777 4.435 10 0 EIAERN CCOc1nc(C)c(NC(=O)c2ccc(-c3ccccc3)cc2)c(C)n1 ZINC000224335040 241749155 /nfs/dbraw/zinc/74/91/55/241749155.db2.gz ZXXPLSNSQBZZEC-UHFFFAOYSA-N 0 0 347.418 4.411 10 0 EIAERN COc1cc(N)ccc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 ZINC000227147595 242122508 /nfs/dbraw/zinc/12/25/08/242122508.db2.gz RMZQDQBGYHYCKI-UHFFFAOYSA-N 0 0 342.782 4.443 10 0 EIAERN CCN(CC)c1ccc(NC(=O)c2ccc(Cl)c(N)c2)c(C)c1 ZINC000226272382 242092398 /nfs/dbraw/zinc/09/23/98/242092398.db2.gz OWDYPYHPFRTYRF-UHFFFAOYSA-N 0 0 331.847 4.329 10 0 EIAERN CCN(CC)c1ccc(NC(=O)c2ccc(N)cc2Cl)c(C)c1 ZINC000226272327 242092472 /nfs/dbraw/zinc/09/24/72/242092472.db2.gz XRQNXXOQAHLHQX-UHFFFAOYSA-N 0 0 331.847 4.329 10 0 EIAERN FC(F)(F)c1nnc2sc(-c3cc(Cl)cc(Cl)c3)nn21 ZINC000226293814 242094018 /nfs/dbraw/zinc/09/40/18/242094018.db2.gz GVNKRLLCLUYXES-UHFFFAOYSA-N 0 0 339.129 4.178 10 0 EIAERN Nc1ccc(Cl)c(-c2ccc(C(=O)N3CCc4ccccc43)o2)c1 ZINC000226304431 242095481 /nfs/dbraw/zinc/09/54/81/242095481.db2.gz PJRJQYGLMRZKOF-UHFFFAOYSA-N 0 0 338.794 4.385 10 0 EIAERN CCCCCC(=O)Nc1cc2sc(N)nc2c(Br)c1 ZINC000226308794 242096710 /nfs/dbraw/zinc/09/67/10/242096710.db2.gz VCGIOYSKRRBZGI-UHFFFAOYSA-N 0 0 342.262 4.160 10 0 EIAERN Nc1cc(-c2ccc(C(=O)N3CCc4ccccc43)o2)ccc1Cl ZINC000226304385 242097058 /nfs/dbraw/zinc/09/70/58/242097058.db2.gz RVWXABDFGFLDNH-UHFFFAOYSA-N 0 0 338.794 4.385 10 0 EIAERN CCOc1c(Cl)cc(Cl)cc1C(=O)Nc1nc(C)cs1 ZINC000021127007 212209584 /nfs/dbraw/zinc/20/95/84/212209584.db2.gz LAGYHDQLZGQZFG-UHFFFAOYSA-N 0 0 331.224 4.409 10 0 EIAERN CCCOc1c(Cl)cc(Cl)cc1CNCc1cccnc1 ZINC000020930083 212190040 /nfs/dbraw/zinc/19/00/40/212190040.db2.gz KSDWZTMCZMHRKH-UHFFFAOYSA-N 0 0 325.239 4.467 10 0 EIAERN O=C(Oc1ccc(C=C2SC(=S)NC2=O)cc1)c1ccccc1 ZINC000020509198 212141624 /nfs/dbraw/zinc/14/16/24/212141624.db2.gz RDWUBPFAVCEULB-UVTDQMKNSA-N 0 0 341.413 4.235 10 0 EIAERN O=c1[nH]c2c(Cl)cc(Cl)cc2c(=O)n1-c1cccc(Cl)c1 ZINC000020437559 212128902 /nfs/dbraw/zinc/12/89/02/212128902.db2.gz AACARVJVNKYTFK-UHFFFAOYSA-N 0 0 341.581 4.052 10 0 EIAERN CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)C=C[C@]4(C)[C@H]3CC[C@]12C ZINC000077271580 216861546 /nfs/dbraw/zinc/86/15/46/216861546.db2.gz DAMKKSJPJNUUOH-LWYCANNGSA-N 0 0 332.484 4.098 10 0 in-vitro EIAERN COc1ccc(OC)c(CNc2ccc(Br)cc2F)c1 ZINC000019908047 212082130 /nfs/dbraw/zinc/08/21/30/212082130.db2.gz YJIOFRXWNGJCMI-UHFFFAOYSA-N 0 0 340.192 4.218 10 0 EIAERN Cc1nn(C)c(NC(=O)Nc2ccccc2F)c1C1=CCCCC1 ZINC000015830752 211857614 /nfs/dbraw/zinc/85/76/14/211857614.db2.gz JZHNGGZAZVTVHK-UHFFFAOYSA-N 0 0 328.391 4.469 10 0 EIAERN O=C(Nc1ccccc1)Nc1ccc(-c2ccnc3n[nH]cc32)cc1 ZINC000089224705 217776608 /nfs/dbraw/zinc/77/66/08/217776608.db2.gz MMKHBLURYUEIJR-UHFFFAOYSA-N 0 0 329.363 4.269 10 0 EIAERN Cc1c([C@H](C)NCc2ccon2)cnn1-c1cccc2ccccc21 ZINC000012463777 211390923 /nfs/dbraw/zinc/39/09/23/211390923.db2.gz UXEJHAOQFYFXLM-AWEZNQCLSA-N 0 0 332.407 4.173 10 0 EIAERN CC(C)(C)OC(=O)N1CCC(c2cccc(-c3cnco3)c2)CC1 ZINC000091353230 217996848 /nfs/dbraw/zinc/99/68/48/217996848.db2.gz ILWASADOSVSFPI-UHFFFAOYSA-N 0 0 328.412 4.456 10 0 EIAERN CCOC(=O)c1c(Cl)nc2c(c1Cl)C(=O)CC1(CCCC1)C2 ZINC000091691812 218049567 /nfs/dbraw/zinc/04/95/67/218049567.db2.gz PBPGLVZGHIRHKZ-UHFFFAOYSA-N 0 0 342.222 4.254 10 0 EIAERN Cc1ccc2n1CCN(C(=O)Nc1cc(F)ccc1F)[C@H]2C(C)C ZINC000009528367 211098807 /nfs/dbraw/zinc/09/88/07/211098807.db2.gz HWBQEEDJTCQYRU-KRWDZBQOSA-N 0 0 333.382 4.320 10 0 EIAERN CCOC(=O)c1cn2c(-c3ccc4c(c3)CCCC4)csc2n1 ZINC000009238660 211058024 /nfs/dbraw/zinc/05/80/24/211058024.db2.gz CRLIHQMXBQSYKE-UHFFFAOYSA-N 0 0 326.421 4.118 10 0 EIAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CCOc1nc2ccccc2[nH]1 ZINC000095086370 218277455 /nfs/dbraw/zinc/27/74/55/218277455.db2.gz PBFNQIBOZBTQDW-CQSZACIVSA-N 0 0 345.443 4.121 10 0 EIAERN C[C@H](c1ccc2c(c1)C(C)(C)CCC2(C)C)S(=O)(=O)NC1CC1 ZINC000095088637 218278209 /nfs/dbraw/zinc/27/82/09/218278209.db2.gz FIYGQFQVIPHTPS-CYBMUJFWSA-N 0 0 335.513 4.178 10 0 EIAERN Cc1ccnc(OCCC[C@@H]2CCCCN2C(=O)OC(C)(C)C)c1 ZINC000095089968 218279424 /nfs/dbraw/zinc/27/94/24/218279424.db2.gz UOGYJPHBGBMAQU-INIZCTEOSA-N 0 0 334.460 4.339 10 0 EIAERN O=C(Cn1c2ccccc2nc1-c1ccc(F)cc1)Nc1ccccc1 ZINC000008787313 211008297 /nfs/dbraw/zinc/00/82/97/211008297.db2.gz ZPWPQPCUZLPCPQ-UHFFFAOYSA-N 0 0 345.377 4.481 10 0 EIAERN COc1cccc(NC(=O)c2c(Cl)ccc(Cl)c2OC)c1 ZINC000005514736 210479443 /nfs/dbraw/zinc/47/94/43/210479443.db2.gz RYHILPRYBHQVPO-UHFFFAOYSA-N 0 0 326.179 4.263 10 0 EIAERN CCOc1ccc(-c2cc(CCCC(=O)NCCC(C)C)no2)cc1 ZINC000005028524 210367393 /nfs/dbraw/zinc/36/73/93/210367393.db2.gz HQLDLAWEZTWSCE-UHFFFAOYSA-N 0 0 344.455 4.225 10 0 EIAERN COC(=O)c1c(N)scc1-c1ccc(-c2ccccc2O)cc1 ZINC000299888937 257917263 /nfs/dbraw/zinc/91/72/63/257917263.db2.gz ATLJTVDODGVDRH-UHFFFAOYSA-N 0 0 325.389 4.157 10 0 EIAERN O=C(C=CNc1ccc(F)cc1)c1ccc(Oc2ncccn2)cc1 ZINC000001402004 527652789 /nfs/dbraw/zinc/65/27/89/527652789.db2.gz SSOAYCXKDARGSX-RAXLEYEMSA-N 0 0 335.338 4.217 10 0 EIAERN CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCCC3)c(N)c2)cc1 ZINC000226265638 535109304 /nfs/dbraw/zinc/10/93/04/535109304.db2.gz QCGHAZYQUYMHKL-UHFFFAOYSA-N 0 0 337.467 4.419 10 0 EIAERN Cc1cc(NC(=O)/C=C/c2ccccc2)nn1-c1ccc(Cl)cc1 ZINC000034907552 563482055 /nfs/dbraw/zinc/48/20/55/563482055.db2.gz JPJHACXMKNWLQJ-KPKJPENVSA-N 0 0 337.810 4.486 10 0 EIAERN CN1CCO[C@]12CC[C@@H]1[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000005748805 563548829 /nfs/dbraw/zinc/54/88/29/563548829.db2.gz CZGMCXMFKOCFDA-HUUUMKQBSA-N 0 0 347.543 4.048 10 0 EIAERN Cc1ccc([C@@H](C(=O)[O-])[N@H+](C)Cc2ccc(Br)cc2)cc1 ZINC000032801350 563744334 /nfs/dbraw/zinc/74/43/34/563744334.db2.gz JIAKBSVDWVJDQO-INIZCTEOSA-N 0 0 348.240 4.015 10 0 EIAERN Cc1ccc(C(=O)N(C[C@H]2COc3ccccc3C2)C(C)C)cc1F ZINC000032985099 563920606 /nfs/dbraw/zinc/92/06/06/563920606.db2.gz VAQXJQGQLMHJJN-INIZCTEOSA-N 0 0 341.426 4.236 10 0 EIAERN Cc1ccc(O)c(NC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)c1 ZINC000000426608 563998588 /nfs/dbraw/zinc/99/85/88/563998588.db2.gz IQJRHVLLAQYWHD-GFCCVEGCSA-N 0 0 328.412 4.092 10 0 EIAERN CCc1cc(C(F)F)nc2ccc(I)cc12 ZINC000669372486 564084044 /nfs/dbraw/zinc/08/40/44/564084044.db2.gz PSGIEHNEGWBVLE-UHFFFAOYSA-N 0 0 333.119 4.339 10 0 EIAERN Cc1cc(C(C)(C)C)nc2ccc(I)cc12 ZINC000669372422 564084055 /nfs/dbraw/zinc/08/40/55/564084055.db2.gz OSXGAYPDRVROOR-UHFFFAOYSA-N 0 0 325.193 4.445 10 0 EIAERN CC[C@@H](C)NC(=O)c1c(C)onc1-c1ccc(Br)s1 ZINC000064820070 564096569 /nfs/dbraw/zinc/09/65/69/564096569.db2.gz AXLHAFFPDIXHOL-SSDOTTSWSA-N 0 0 343.246 4.002 10 0 EIAERN CCOC(=O)c1c(C)n(-c2ccc(C)c(C)c2)c(C)c1C(=O)OCC ZINC000006751530 564097180 /nfs/dbraw/zinc/09/71/80/564097180.db2.gz IFUJTZOJFIHCDK-UHFFFAOYSA-N 0 0 343.423 4.064 10 0 EIAERN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)c1ccccc1 ZINC000498051107 564113120 /nfs/dbraw/zinc/11/31/20/564113120.db2.gz RVCRHLZVEPSRFZ-SFHVURJKSA-N 0 0 325.408 4.210 10 0 EIAERN CC(C)c1[nH]nc(I)c1-c1cccc(Cl)c1 ZINC000675075580 564113187 /nfs/dbraw/zinc/11/31/87/564113187.db2.gz BKFSRRGBYKKYTN-UHFFFAOYSA-N 0 0 346.599 4.458 10 0 EIAERN Cc1ccccc1-c1c(I)[nH]nc1C(C)(F)F ZINC000675077114 564113470 /nfs/dbraw/zinc/11/34/70/564113470.db2.gz YADYOUNTYBEQHU-UHFFFAOYSA-N 0 0 348.134 4.101 10 0 EIAERN CC(C)(C)OC(=O)NCCN1Sc2cccc(Cl)c2S1 ZINC000521399910 564118278 /nfs/dbraw/zinc/11/82/78/564118278.db2.gz BOKYDEGABUYDPW-UHFFFAOYSA-N 0 0 332.878 4.195 10 0 EIAERN Cc1cc2nc(Cc3ccccc3)n(CC(=O)NCC(C)C)c2cc1C ZINC000037398830 564121236 /nfs/dbraw/zinc/12/12/36/564121236.db2.gz JNVFESZSGGQCCD-UHFFFAOYSA-N 0 0 349.478 4.016 10 0 EIAERN CCn1cc(OCc2ccccc2)c(=O)c2cc(F)c(Cl)cc21 ZINC000048523207 564129241 /nfs/dbraw/zinc/12/92/41/564129241.db2.gz FCLZWNYXRFLCDG-UHFFFAOYSA-N 0 0 331.774 4.393 10 0 EIAERN C[C@]12CC[C@H]3[C@@H](CCC4=C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@]21CC[C@@H](O)O1 ZINC000077293657 564134222 /nfs/dbraw/zinc/13/42/22/564134222.db2.gz ZVNZJDMKEHMICK-MBUUOGHZSA-N 0 0 346.511 4.178 10 0 in-vitro EIAERN Cc1nc2c(s1)CCC[C@@H]2CN(C)C(=O)c1cccn1C(C)C ZINC000328619351 564136960 /nfs/dbraw/zinc/13/69/60/564136960.db2.gz FTUACBGDHOLCRC-CQSZACIVSA-N 0 0 331.485 4.026 10 0 EIAERN C[C@@H](NC(=O)N1CCC[C@@H]1Cc1ccccc1Cl)c1ccncc1 ZINC000056552289 1032087578 /nfs/dbraw/zinc/08/75/78/1032087578.db2.gz KFAWZYDRUKFMSJ-RHSMWYFYSA-N 0 0 343.858 4.213 10 0 EIAERN Cc1cc(C)n(CC2CCN(C(=O)CCC3CCCCC3)CC2)n1 ZINC000062130820 1032142107 /nfs/dbraw/zinc/14/21/07/1032142107.db2.gz RPRFEVZOIOIROQ-UHFFFAOYSA-N 0 0 331.504 4.099 10 0 EIAERN C[C@H](NC(=O)N1CCC[C@@H]1c1cccc(Cl)c1)c1ccncc1 ZINC000120274680 1032194229 /nfs/dbraw/zinc/19/42/29/1032194229.db2.gz ODNZUMZVHJPVKH-SUMWQHHRSA-N 0 0 329.831 4.343 10 0 EIAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000114511264 1022175620 /nfs/dbraw/zinc/17/56/20/1022175620.db2.gz VMXAZQYCLUTZOA-INIZCTEOSA-N 0 0 346.862 4.368 10 0 EIAERN Cc1c(C(=O)N2CCC[C@@H]2c2ccco2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000116212423 1022806732 /nfs/dbraw/zinc/80/67/32/1022806732.db2.gz GQBPQVBOPDVLLR-CQSZACIVSA-N 0 0 340.423 4.049 10 0 EIAERN O=C(Nc1cc(Cl)ccc1Cl)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128207756 1023894771 /nfs/dbraw/zinc/89/47/71/1023894771.db2.gz BITCDUODBNDLLS-BZNIZROVSA-N 0 0 343.254 4.152 10 0 EIAERN C[C@H](NC(=O)N(C)C1CCC(CO)CC1)c1ccc(C(C)(C)C)cc1 ZINC000126525470 1027974415 /nfs/dbraw/zinc/97/44/15/1027974415.db2.gz RBYBBYODGAKHDA-LYGPFTKASA-N 0 0 346.515 4.238 10 0 EIAERN O=C(Nc1cccc(-c2ncon2)c1)c1cnc(-c2ccccc2)s1 ZINC000101525241 1030692091 /nfs/dbraw/zinc/69/20/91/1030692091.db2.gz DISVFYXTNFZXOZ-UHFFFAOYSA-N 0 0 348.387 4.112 10 0 EIAERN CCOc1ccccc1CCC(=O)N1CC=C(c2cccs2)CC1 ZINC000117720228 1031206608 /nfs/dbraw/zinc/20/66/08/1031206608.db2.gz DAJINTUUICFZSF-UHFFFAOYSA-N 0 0 341.476 4.395 10 0 EIAERN O=C(C[C@H]1CCOc2ccccc21)N1CC=C(c2cccs2)CC1 ZINC000117720476 1031208081 /nfs/dbraw/zinc/20/80/81/1031208081.db2.gz DGZNRAQJMHCVOY-MRXNPFEDSA-N 0 0 339.460 4.320 10 0 EIAERN C[C@H](NC(=O)N1CCC(c2nc3ccccc3o2)CC1)C(C)(C)C ZINC000112460653 1031346502 /nfs/dbraw/zinc/34/65/02/1031346502.db2.gz BJGFOEKMRMOFLF-ZDUSSCGKSA-N 0 0 329.444 4.151 10 0 EIAERN CCC[C@H](C)C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218899 1031357155 /nfs/dbraw/zinc/35/71/55/1031357155.db2.gz HWVXWWTZJZTKQW-DOTOQJQBSA-N 0 0 325.456 4.219 10 0 EIAERN CCOc1cc(C)ccc1NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000114810413 1031371678 /nfs/dbraw/zinc/37/16/78/1031371678.db2.gz MSIQJPRYJQBLSL-AWEZNQCLSA-N 0 0 345.468 4.262 10 0 EIAERN Cc1ccccc1[C@H](C)NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000114818211 1031372992 /nfs/dbraw/zinc/37/29/92/1031372992.db2.gz HLVLPNLKAXBOAT-GJZGRUSLSA-N 0 0 329.469 4.102 10 0 EIAERN CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000114828929 1031374832 /nfs/dbraw/zinc/37/48/32/1031374832.db2.gz JWEZLDWKPQCYQB-IAGOWNOFSA-N 0 0 343.496 4.053 10 0 EIAERN CCSc1ccc(C(=O)N2CC=C(c3cccs3)CC2)cn1 ZINC000117723356 1031395249 /nfs/dbraw/zinc/39/52/49/1031395249.db2.gz HEVOOGWKXRWUOL-UHFFFAOYSA-N 0 0 330.478 4.185 10 0 EIAERN O=C([C@@H]1C[C@H]1c1ccc(F)cc1F)N1CC=C(c2cccs2)CC1 ZINC000117719133 1031396279 /nfs/dbraw/zinc/39/62/79/1031396279.db2.gz FAVOYRVHHUGMHS-JKSUJKDBSA-N 0 0 345.414 4.446 10 0 EIAERN CO[C@@H](C)c1nc(CN2CC=C(c3ccccc3F)CC2)cs1 ZINC000127490124 1031693187 /nfs/dbraw/zinc/69/31/87/1031693187.db2.gz SHITXERVTCDJKZ-ZDUSSCGKSA-N 0 0 332.444 4.279 10 0 EIAERN CSc1ccccc1NC(=O)NC1CCN(c2cccs2)CC1 ZINC000128912656 1031768153 /nfs/dbraw/zinc/76/81/53/1031768153.db2.gz YWQUPXLQFHJTEA-UHFFFAOYSA-N 0 0 347.509 4.261 10 0 EIAERN Cc1coc(-c2cc(NC(=O)C[C@H](O)c3ccccc3)ccc2C)n1 ZINC000089326107 1039035022 /nfs/dbraw/zinc/03/50/22/1039035022.db2.gz GJOGXIKBKISUBW-SFHVURJKSA-N 0 0 336.391 4.021 10 0 EIAERN O=C(c1cnc(Cl)c(Cl)c1)N1CCc2c([nH]c3ccccc32)C1 ZINC000089914953 1039138683 /nfs/dbraw/zinc/13/86/83/1039138683.db2.gz WPVBJNUCJXBZSS-UHFFFAOYSA-N 0 0 346.217 4.068 10 0 EIAERN CCOc1cccc(CN[C@@H](c2ncon2)c2ccc(Cl)cc2)c1 ZINC000090202574 1039200851 /nfs/dbraw/zinc/20/08/51/1039200851.db2.gz CQCBAVMKXYUVDH-QGZVFWFLSA-N 0 0 343.814 4.001 10 0 EIAERN Clc1ccc(CN[C@@H](c2ncon2)c2ccc(Cl)cc2)s1 ZINC000090202786 1039202144 /nfs/dbraw/zinc/20/21/44/1039202144.db2.gz PLNWHORBMRWUMV-CYBMUJFWSA-N 0 0 340.235 4.317 10 0 EIAERN CCCCCC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113219055 1043286801 /nfs/dbraw/zinc/28/68/01/1043286801.db2.gz JBXFPTKEOFFCHF-QGZVFWFLSA-N 0 0 325.456 4.363 10 0 EIAERN O=C(C[C@H]1CCCc2ccccc21)N1CCC[C@H](c2nccs2)C1 ZINC000067048285 1045740089 /nfs/dbraw/zinc/74/00/89/1045740089.db2.gz HORJCHSUBLJDIE-SJORKVTESA-N 0 0 340.492 4.359 10 0 EIAERN CC[C@@H](NC(=O)Nc1cccc(-c2nccn2C)c1)c1cccs1 ZINC000077445301 1045949293 /nfs/dbraw/zinc/94/92/93/1045949293.db2.gz ZINBDOIWCHLSSW-OAHLLOKOSA-N 0 0 340.452 4.421 10 0 EIAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3csc(C(C)C)n3)C2)cc1 ZINC000078187978 1046008810 /nfs/dbraw/zinc/00/88/10/1046008810.db2.gz CIKCWHYAKHOQBS-HIFRSBDPSA-N 0 0 344.480 4.293 10 0 EIAERN CC(=O)Nc1ccc(SCc2noc(-c3ccc(F)cc3)n2)cc1 ZINC000072992859 1055162066 /nfs/dbraw/zinc/16/20/66/1055162066.db2.gz LXIHDXVWGNCXLV-UHFFFAOYSA-N 0 0 343.383 4.126 10 0 EIAERN Nc1c2cc(Br)ccc2oc1C(=O)Nc1ccc(F)cc1 ZINC000053993899 214208509 /nfs/dbraw/zinc/20/85/09/214208509.db2.gz RXFUMNFWECKUDD-UHFFFAOYSA-N 0 0 349.159 4.169 10 0 EIAERN O=C(Nc1ccc(F)cc1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000055339187 214309355 /nfs/dbraw/zinc/30/93/55/214309355.db2.gz VEVSNGVWOGXAFE-MRXNPFEDSA-N 0 0 334.778 4.085 10 0 EIAERN FC(F)(F)c1ccccc1CNc1nc2c(c(Cl)n1)CCC2 ZINC000057343340 214420927 /nfs/dbraw/zinc/42/09/27/214420927.db2.gz CKPVELXKYXDLSP-UHFFFAOYSA-N 0 0 327.737 4.250 10 0 EIAERN CCC(C)(C)NC(=O)[C@@H](C)Nc1cc(Br)ccc1Cl ZINC000061691381 214671864 /nfs/dbraw/zinc/67/18/64/214671864.db2.gz SWBZNHVUIYMBNY-SECBINFHSA-N 0 0 347.684 4.208 10 0 EIAERN CCOC(=O)c1c(C)nc(Oc2ccccc2)nc1-c1ccccc1 ZINC000098181122 219086431 /nfs/dbraw/zinc/08/64/31/219086431.db2.gz PMARNQUWZVKUPY-UHFFFAOYSA-N 0 0 334.375 4.421 10 0 EIAERN Clc1cc(Br)cc(Cl)c1NCCn1cccn1 ZINC000049314245 214000100 /nfs/dbraw/zinc/00/01/00/214000100.db2.gz CISDBQWKLAZVFI-UHFFFAOYSA-N 0 0 335.032 4.065 10 0 EIAERN O=C1CC(c2ccncc2)=Nc2ccccc2N1Cc1ccccc1 ZINC000100898147 219110035 /nfs/dbraw/zinc/11/00/35/219110035.db2.gz CHUWVKLRYKFEEQ-UHFFFAOYSA-N 0 0 327.387 4.139 10 0 EIAERN COc1ccc(C)c2sc(NC(=O)CCc3ccccc3)nc21 ZINC000004331404 210172795 /nfs/dbraw/zinc/17/27/95/210172795.db2.gz YXSXJXJDXIKPIP-UHFFFAOYSA-N 0 0 326.421 4.185 10 0 EIAERN Cc1cc(Br)cc(C(C)C)c1I ZINC000065356640 214874100 /nfs/dbraw/zinc/87/41/00/214874100.db2.gz ZAFFPNXNRJLLDK-UHFFFAOYSA-N 0 0 339.014 4.486 10 0 EIAERN O=C(COc1cccc(Br)c1)c1ccccc1Cl ZINC000048102552 213887335 /nfs/dbraw/zinc/88/73/35/213887335.db2.gz PANSWACGXVWIED-UHFFFAOYSA-N 0 0 325.589 4.364 10 0 EIAERN Cc1c(O)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1 ZINC000066054830 215004200 /nfs/dbraw/zinc/00/42/00/215004200.db2.gz UGACSUMQKHVXSM-UHFFFAOYSA-N 0 0 341.374 4.182 10 0 EIAERN COc1ccc2c(c1)ncnc2Nc1cccc(Br)c1 ZINC000003815332 210076943 /nfs/dbraw/zinc/07/69/43/210076943.db2.gz CDWGVMQLDOQALI-UHFFFAOYSA-N 0 0 330.185 4.145 10 0 EIAERN C=C(c1ccccc1)n1c2ccccc2n(Cc2ccccc2)c1=O ZINC000003110825 209964676 /nfs/dbraw/zinc/96/46/76/209964676.db2.gz NLHBLHQNBFQHRH-UHFFFAOYSA-N 0 0 326.399 4.370 10 0 EIAERN CCNc1nc(-c2ccc(Br)s2)nc2c1CCCC2 ZINC000103991891 219337444 /nfs/dbraw/zinc/33/74/44/219337444.db2.gz MJHISXOUXDWIPM-UHFFFAOYSA-N 0 0 338.274 4.278 10 0 EIAERN Fc1ccc(COc2ccc(I)cc2)c(F)c1 ZINC000104180598 219355859 /nfs/dbraw/zinc/35/58/59/219355859.db2.gz LTGLVVJGQWELLJ-UHFFFAOYSA-N 0 0 346.114 4.148 10 0 EIAERN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@H](C)C(C)C)o1 ZINC000068682449 215326642 /nfs/dbraw/zinc/32/66/42/215326642.db2.gz YNYDXOCNWOFQMF-OAHLLOKOSA-N 0 0 337.423 4.215 10 0 EIAERN O=Cc1c(Sc2cccc(Br)c2)nc2ccccn21 ZINC000104295234 219371507 /nfs/dbraw/zinc/37/15/07/219371507.db2.gz FWLHHTCVUUWVLS-UHFFFAOYSA-N 0 0 333.210 4.061 10 0 EIAERN C[NH2+][C@@H](Cc1ccccc1OC)c1sccc1Br ZINC000104296547 219372143 /nfs/dbraw/zinc/37/21/43/219372143.db2.gz QYYHJNPPMXHIBU-LBPRGKRZSA-N 0 0 326.259 4.022 10 0 EIAERN COc1ccc(NC(=O)c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000040902459 213399359 /nfs/dbraw/zinc/39/93/59/213399359.db2.gz XPFBSADMMXEMBI-UHFFFAOYSA-N 0 0 347.370 4.167 10 0 EIAERN Nc1c(Nc2ccc(F)cc2F)ncnc1Nc1ccc(F)cc1F ZINC000040800219 213389058 /nfs/dbraw/zinc/38/90/58/213389058.db2.gz RVOZACNLBLFISM-UHFFFAOYSA-N 0 0 349.291 4.102 10 0 EIAERN Cc1cc(Oc2ncnc(Nc3nccs3)c2N)cc(C)c1Cl ZINC000040780916 213386099 /nfs/dbraw/zinc/38/60/99/213386099.db2.gz SFQQLTIMVWZZOO-UHFFFAOYSA-N 0 0 347.831 4.321 10 0 EIAERN Cc1cc(Oc2ncnc(Nc3cccnc3)c2N)cc(C)c1Cl ZINC000040759804 213385072 /nfs/dbraw/zinc/38/50/72/213385072.db2.gz XSVNLKMYINRORZ-UHFFFAOYSA-N 0 0 341.802 4.260 10 0 EIAERN Nc1c(Nc2ccc(Cl)cc2)ncnc1Nc1ccc(F)c(F)c1 ZINC000040782204 213387287 /nfs/dbraw/zinc/38/72/87/213387287.db2.gz IIAVOROVPOJFLK-UHFFFAOYSA-N 0 0 347.756 4.478 10 0 EIAERN Nc1c(Nc2cccnc2)ncnc1Nc1cccc(Cl)c1Cl ZINC000040759657 213384172 /nfs/dbraw/zinc/38/41/72/213384172.db2.gz JBMSQAJCPDBJRG-UHFFFAOYSA-N 0 0 347.209 4.248 10 0 EIAERN Cc1ccc2cccc(Nc3ncnc(NCCC(C)C)c3N)c2n1 ZINC000040758718 213383828 /nfs/dbraw/zinc/38/38/28/213383828.db2.gz AXXQFGITFJQAEE-UHFFFAOYSA-N 0 0 336.443 4.117 10 0 EIAERN Cc1ccc(Nc2ncc(Br)cn2)c(Br)c1 ZINC000104379309 219382473 /nfs/dbraw/zinc/38/24/73/219382473.db2.gz KRDTWYPIELIZNC-UHFFFAOYSA-N 0 0 343.022 4.054 10 0 EIAERN CCCCNc1ncnc(Nc2ccccc2C(F)(F)F)c1N ZINC000040701700 213372410 /nfs/dbraw/zinc/37/24/10/213372410.db2.gz XPRSFLKXAWHZFY-UHFFFAOYSA-N 0 0 325.338 4.033 10 0 EIAERN Nc1c(Nc2cccc3cccnc32)ncnc1NC1CCCCC1 ZINC000040708517 213371251 /nfs/dbraw/zinc/37/12/51/213371251.db2.gz ALLTZWHYBUZWFA-UHFFFAOYSA-N 0 0 334.427 4.095 10 0 EIAERN Cc1cccc(Nc2ncnc(Nc3cccc(Cl)c3C)c2N)n1 ZINC000040685249 213369701 /nfs/dbraw/zinc/36/97/01/213369701.db2.gz YFDUUVCARPDGKJ-UHFFFAOYSA-N 0 0 340.818 4.211 10 0 EIAERN CCN(c1ccccc1)c1ncnc(Oc2ccc(OC)cc2)c1N ZINC000040679834 213368578 /nfs/dbraw/zinc/36/85/78/213368578.db2.gz YSJRMEYFKBXXOX-UHFFFAOYSA-N 0 0 336.395 4.018 10 0 EIAERN Cc1cc(Nc2ncnc(Oc3cccc4ccccc43)c2N)no1 ZINC000040680782 213368618 /nfs/dbraw/zinc/36/86/18/213368618.db2.gz ZHHWJQFJCCJPDW-UHFFFAOYSA-N 0 0 333.351 4.044 10 0 EIAERN COc1ccc(C)cc1Nc1ncnc(Nc2cc(C)cc(C)c2)c1N ZINC000040681686 213368102 /nfs/dbraw/zinc/36/81/02/213368102.db2.gz WGMHMWAYVYZOPN-UHFFFAOYSA-N 0 0 349.438 4.480 10 0 EIAERN CCOc1ccc(/C=C/C(=O)Nc2cc(C)cc(C)c2)cc1OC ZINC000001934738 209806400 /nfs/dbraw/zinc/80/64/00/209806400.db2.gz AQAJASSKDLULOE-VQHVLOKHSA-N 0 0 325.408 4.363 10 0 EIAERN CC[C@@H](Oc1ccc(C)cc1N)C(=O)c1ccc(Br)cc1 ZINC000040354769 213291757 /nfs/dbraw/zinc/29/17/57/213291757.db2.gz SKKHYOMPUTZAHC-OAHLLOKOSA-N 0 0 348.240 4.380 10 0 EIAERN CCc1ccc(NC(=O)Cn2c3ccccc3nc2-c2ccco2)cc1 ZINC000040307846 213290216 /nfs/dbraw/zinc/29/02/16/213290216.db2.gz OOKGWXKDGUFCQH-UHFFFAOYSA-N 0 0 345.402 4.497 10 0 EIAERN CCc1ccc(OCCCn2c(CO)nc3cc(C)c(C)cc32)cc1 ZINC000040309030 213290624 /nfs/dbraw/zinc/29/06/24/213290624.db2.gz IQHIKXDQJIELPA-UHFFFAOYSA-N 0 0 338.451 4.177 10 0 EIAERN CCN(CC)C(=O)Cn1c2ccccc2nc1-c1ccccc1Cl ZINC000040250603 213284665 /nfs/dbraw/zinc/28/46/65/213284665.db2.gz WFUWDQIFPKVJCB-UHFFFAOYSA-N 0 0 341.842 4.225 10 0 EIAERN O=C(Cn1c(COc2ccccc2)nc2ccccc21)c1ccccc1 ZINC000040232346 213283948 /nfs/dbraw/zinc/28/39/48/213283948.db2.gz XYBOTNQVVHATTI-UHFFFAOYSA-N 0 0 342.398 4.498 10 0 EIAERN O=C(CCn1c2ccccc2nc1-c1ccco1)N1CCCCCC1 ZINC000040239088 213283763 /nfs/dbraw/zinc/28/37/63/213283763.db2.gz DGWPFDRXOQIRMG-UHFFFAOYSA-N 0 0 337.423 4.089 10 0 EIAERN CCCc1nnc(NC(=O)c2oc3ccc(CC)cc3c2C)s1 ZINC000040038029 213253336 /nfs/dbraw/zinc/25/33/36/213253336.db2.gz XXQZIYVEBKBHOP-UHFFFAOYSA-N 0 0 329.425 4.360 10 0 EIAERN COc1ccc([C@@H](C)NC(=O)Nc2ccc3[nH]ccc3c2)cc1OC ZINC000069654995 215516843 /nfs/dbraw/zinc/51/68/43/215516843.db2.gz ZBCSCVHMMGWOOH-GFCCVEGCSA-N 0 0 339.395 4.068 10 0 EIAERN COc1ccc2[nH]c(-c3ccc(OC)c(F)c3)c(Cl)c(=O)c2c1 ZINC000039123931 213231627 /nfs/dbraw/zinc/23/16/27/213231627.db2.gz HFMGBJCWRWEENC-UHFFFAOYSA-N 0 0 333.746 4.005 10 0 EIAERN C[C@@H](F)c1ncnc(NCc2ccc(F)cc2)c1Br ZINC000038223469 213206412 /nfs/dbraw/zinc/20/64/12/213206412.db2.gz GYZALNWNUMYJAF-MRVPVSSYSA-N 0 0 328.160 4.021 10 0 EIAERN COC(=O)c1sc(Oc2cccc(Br)c2)nc1Cl ZINC000038082297 213201004 /nfs/dbraw/zinc/20/10/04/213201004.db2.gz GXOLZBSAWJRDBP-UHFFFAOYSA-N 0 0 348.605 4.138 10 0 EIAERN Cc1ncsc1[C@@H](C)NCc1cc(F)ccc1Br ZINC000038039183 213195665 /nfs/dbraw/zinc/19/56/65/213195665.db2.gz XIPPRLCNDFYYQH-MRVPVSSYSA-N 0 0 329.238 4.204 10 0 EIAERN Cc1noc(CN[C@H](c2cccs2)c2ccc(Cl)s2)n1 ZINC000038033978 213193702 /nfs/dbraw/zinc/19/37/02/213193702.db2.gz UNIKPOKWNVLXOB-CYBMUJFWSA-N 0 0 325.846 4.034 10 0 EIAERN Nc1cc(NC(=O)COc2ccc(Cl)c(Cl)c2)ccc1Cl ZINC000038001338 213186070 /nfs/dbraw/zinc/18/60/70/213186070.db2.gz HYYNWHURSBUUQA-UHFFFAOYSA-N 0 0 345.613 4.247 10 0 EIAERN NC(=S)c1cccc(OCCOc2ccc(Cl)c(Cl)c2)c1 ZINC000038001449 213185935 /nfs/dbraw/zinc/18/59/35/213185935.db2.gz PAXPYVLLVXSQTQ-UHFFFAOYSA-N 0 0 342.247 4.085 10 0 EIAERN Clc1nsnc1Oc1ccc(Br)cc1Cl ZINC000037981658 213181265 /nfs/dbraw/zinc/18/12/65/213181265.db2.gz QKXYHDOZPWAGMJ-UHFFFAOYSA-N 0 0 326.002 4.400 10 0 EIAERN O=C([O-])[C@@H]([NH2+]C1CCCCCC1)c1ccc(Br)cc1F ZINC000037972514 213177890 /nfs/dbraw/zinc/17/78/90/213177890.db2.gz REHKRRQYCUKGEQ-AWEZNQCLSA-N 0 0 344.224 4.026 10 0 EIAERN Cc1ccc([C@H](C)NC(=O)c2cc(Br)cn2C(C)C)o1 ZINC000037844511 213169667 /nfs/dbraw/zinc/16/96/67/213169667.db2.gz PCDMYLMFLFKNGA-NSHDSACASA-N 0 0 339.233 4.224 10 0 EIAERN Cc1ccc([C@@H](C)NC(=O)c2cc(Br)cn2C(C)C)o1 ZINC000037844510 213169728 /nfs/dbraw/zinc/16/97/28/213169728.db2.gz PCDMYLMFLFKNGA-LLVKDONJSA-N 0 0 339.233 4.224 10 0 EIAERN Cc1cc(C)c(-c2c(=O)c(=O)c2N[C@H]2CCC[C@H](C)[C@@H]2C)cc1C ZINC000037008901 213129606 /nfs/dbraw/zinc/12/96/06/213129606.db2.gz GLONKYQLORTCLR-KCTSRDHCSA-N 0 0 325.452 4.111 10 0 EIAERN COC(=O)c1ccc(F)c(NCc2cc(Br)cs2)c1 ZINC000036959093 213127739 /nfs/dbraw/zinc/12/77/39/213127739.db2.gz XMCOPFKFTRFQGR-UHFFFAOYSA-N 0 0 344.205 4.048 10 0 EIAERN Cc1ccc(C(=O)N2CCC[C@@H](OCc3cccc(F)c3F)C2)cc1 ZINC000036315299 213084747 /nfs/dbraw/zinc/08/47/47/213084747.db2.gz IDADHPIAOBOMTE-QGZVFWFLSA-N 0 0 345.389 4.095 10 0 EIAERN COC(=O)C[C@H](C)Nc1c(Cl)cc(Br)cc1Cl ZINC000035748819 213048374 /nfs/dbraw/zinc/04/83/74/213048374.db2.gz XBIVZTHSUIYKME-LURJTMIESA-N 0 0 341.032 4.119 10 0 EIAERN O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(Br)n1 ZINC000035678723 213045066 /nfs/dbraw/zinc/04/50/66/213045066.db2.gz JZDWANNCHGZGEZ-RMKNXTFCSA-N 0 0 337.604 4.149 10 0 EIAERN CCN[C@H](c1cc(Br)ccc1OCC)C(F)(F)F ZINC000035571150 213038997 /nfs/dbraw/zinc/03/89/97/213038997.db2.gz FKOGTLPSTNTTNH-LLVKDONJSA-N 0 0 326.156 4.061 10 0 EIAERN CCN[C@H](c1ccoc1)c1cc(Cl)cc(Br)c1OC ZINC000035509679 213033732 /nfs/dbraw/zinc/03/37/32/213033732.db2.gz KQPNXOYVLSAECJ-CYBMUJFWSA-N 0 0 344.636 4.403 10 0 EIAERN C[C@H](CCc1ccco1)Nc1cccc(I)c1 ZINC000035451945 213029301 /nfs/dbraw/zinc/02/93/01/213029301.db2.gz ZDIIWXRAMFJDDT-LLVKDONJSA-N 0 0 341.192 4.317 10 0 EIAERN Cc1nc(N)sc1SCc1ccc(Br)cc1F ZINC000035285027 213018657 /nfs/dbraw/zinc/01/86/57/213018657.db2.gz DPBKLJFCHKLIFO-UHFFFAOYSA-N 0 0 333.251 4.228 10 0 EIAERN C=CC(=O)NCc1nc2ccccc2n1Cc1c(C)c(C)cc(C)c1C ZINC000035143624 213010564 /nfs/dbraw/zinc/01/05/64/213010564.db2.gz PIUVFKCPYANQHD-UHFFFAOYSA-N 0 0 347.462 4.120 10 0 EIAERN Clc1ccc(/C=C\c2nn3c(nnc3-c3ccco3)s2)cc1 ZINC000033705166 212960183 /nfs/dbraw/zinc/96/01/83/212960183.db2.gz AWTRTPYUNLJYQI-YVMONPNESA-N 0 0 328.784 4.270 10 0 EIAERN CCOC(=O)Cn1c(/C=C\c2ccccc2)nc2cc(C)c(C)cc21 ZINC000033550871 212954223 /nfs/dbraw/zinc/95/42/23/212954223.db2.gz PAFYMXFWSMYBPD-KHPPLWFESA-N 0 0 334.419 4.387 10 0 EIAERN O=S(=O)(/C=C\c1ccc(Cl)cc1Cl)NCc1cccs1 ZINC000033337070 212928717 /nfs/dbraw/zinc/92/87/17/212928717.db2.gz SCWDLKGUBWNANL-ALCCZGGFSA-N 0 0 348.276 4.145 10 0 EIAERN O=C(/C=C\c1ccco1)NC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000033320105 212924780 /nfs/dbraw/zinc/92/47/80/212924780.db2.gz XGAJOCYGRSRVCD-ARJAWSKDSA-N 0 0 341.219 4.113 10 0 EIAERN COc1cc(/C=C\C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OC ZINC000033286536 212915612 /nfs/dbraw/zinc/91/56/12/212915612.db2.gz XCRGIXLYEFBHFN-WTKPLQERSA-N 0 0 347.798 4.018 10 0 EIAERN CCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1C)CCCC3 ZINC000033043054 212892757 /nfs/dbraw/zinc/89/27/57/212892757.db2.gz AVHWDHKAEGVFOY-CYBMUJFWSA-N 0 0 343.496 4.414 10 0 EIAERN CCOc1cc(CO)cc(Br)c1OC1CCCCC1 ZINC000036825148 213121693 /nfs/dbraw/zinc/12/16/93/213121693.db2.gz JOXHNFOXTZXTSA-UHFFFAOYSA-N 0 0 329.234 4.052 10 0 EIAERN Nc1cc(F)cc(Br)c1OCc1ccc(Cl)s1 ZINC000037288780 213138728 /nfs/dbraw/zinc/13/87/28/213138728.db2.gz UITKCIVCGJJVEH-UHFFFAOYSA-N 0 0 336.613 4.464 10 0 EIAERN Nc1cc(Cl)cc(Br)c1OCc1ccccc1F ZINC000037288485 213138738 /nfs/dbraw/zinc/13/87/38/213138738.db2.gz VEZLXTXIVKIAAB-UHFFFAOYSA-N 0 0 330.584 4.403 10 0 EIAERN Cc1csc(N2C(=O)CS[C@H]2c2c(F)cccc2Cl)n1 ZINC000028712609 212632719 /nfs/dbraw/zinc/63/27/19/212632719.db2.gz RZPWYWJBRURJDS-LBPRGKRZSA-N 0 0 328.821 4.023 10 0 EIAERN CCOc1c(Br)cc(Cl)cc1N[C@H](C)c1cc[nH]n1 ZINC000037907514 213172717 /nfs/dbraw/zinc/17/27/17/213172717.db2.gz MFPVJHLCTVJHIB-MRVPVSSYSA-N 0 0 344.640 4.397 10 0 EIAERN CC(C)Nc1nc(Cl)nc(Nc2cccc(C(F)(F)F)c2)n1 ZINC000000053741 209391278 /nfs/dbraw/zinc/39/12/78/209391278.db2.gz YNTDBPAUQANPAG-UHFFFAOYSA-N 0 0 331.729 4.108 10 0 EIAERN O=C(Nc1cccc(Cl)c1)c1ccc(-c2ccc(F)cc2)[nH]c1=O ZINC000072450919 216238792 /nfs/dbraw/zinc/23/87/92/216238792.db2.gz HZQPJOKTNDZOSH-UHFFFAOYSA-N 0 0 342.757 4.087 10 0 EIAERN Cc1nn(C)cc1-c1ccnc(Nc2cc(Cl)cc(Cl)c2)n1 ZINC000072462146 216244084 /nfs/dbraw/zinc/24/40/84/216244084.db2.gz DTEGHTVDWKAXJK-UHFFFAOYSA-N 0 0 334.210 4.236 10 0 EIAERN CC1(C)CC(=O)c2cn3ncc(-c4ccc(Cl)cc4)c3nc2C1 ZINC000072464031 216246932 /nfs/dbraw/zinc/24/69/32/216246932.db2.gz IPLNAUSKGUTXQA-UHFFFAOYSA-N 0 0 325.799 4.205 10 0 EIAERN O=C(N[C@H]1CCCC[C@@H]1C(F)(F)F)c1nc(Cl)ccc1Cl ZINC000022763078 212322576 /nfs/dbraw/zinc/32/25/76/212322576.db2.gz AWEYIQHYEQZWLS-CBAPKCEASA-N 0 0 341.160 4.239 10 0 EIAERN Cc1cc(Cl)cc2c3c([nH]c21)CC[C@@H](NC(=O)C[C@@H]1C=CCC1)C3 ZINC000022336951 212292149 /nfs/dbraw/zinc/29/21/49/212292149.db2.gz SXJARINCQACJNL-UKRRQHHQSA-N 0 0 342.870 4.460 10 0 EIAERN Cc1cc(NC(=O)c2ccccc2Cl)cc(Br)c1O ZINC000226242822 242090680 /nfs/dbraw/zinc/09/06/80/242090680.db2.gz BCFCOIWHNCHOOA-UHFFFAOYSA-N 0 0 340.604 4.369 10 0 EIAERN CCN(CC)c1ccc(N)cc1NC(=O)c1ccc(C(C)C)cc1 ZINC000226260610 242092559 /nfs/dbraw/zinc/09/25/59/242092559.db2.gz ZEASHBIWFBQIOC-UHFFFAOYSA-N 0 0 325.456 4.491 10 0 EIAERN Cc1cc(NC(=O)C(F)(F)F)cc2nc(Cc3ccccc3)oc21 ZINC000226271266 242092850 /nfs/dbraw/zinc/09/28/50/242092850.db2.gz HPMQRCKXXYWPNB-UHFFFAOYSA-N 0 0 334.297 4.228 10 0 EIAERN O=C(Nc1ccc(N2Cc3ccccc3C2=O)cc1)c1ccccc1F ZINC000226287704 242094307 /nfs/dbraw/zinc/09/43/07/242094307.db2.gz CNSIXCJAUROOES-UHFFFAOYSA-N 0 0 346.361 4.238 10 0 EIAERN Brc1cc(C23CC4CC(CC(C4)C2)C3)cc2n[nH]nc21 ZINC000226305348 242096368 /nfs/dbraw/zinc/09/63/68/242096368.db2.gz NPQGLOJXBLHBIH-UHFFFAOYSA-N 0 0 332.245 4.188 10 0 EIAERN Cc1cc(C)cc(Nc2c3[nH]cccc-3c(=O)n2Cc2ccco2)c1 ZINC000021105145 212207337 /nfs/dbraw/zinc/20/73/37/212207337.db2.gz OASMVSZJDIXSSG-LJQANCHMSA-N 0 0 333.391 4.058 10 0 EIAERN COc1cccc([C@H](CC(=O)N2CCc3ccccc32)n2cccc2)c1 ZINC000020998387 212197715 /nfs/dbraw/zinc/19/77/15/212197715.db2.gz SUHROYWIGYDSEU-NRFANRHFSA-N 0 0 346.430 4.066 10 0 EIAERN COc1c(C)cnc(CNc2ccc(Br)c(C)c2)c1C ZINC000020045541 212096890 /nfs/dbraw/zinc/09/68/90/212096890.db2.gz JBKQODMZBQOBJL-UHFFFAOYSA-N 0 0 335.245 4.390 10 0 EIAERN Nc1cc(Br)ccc1SCCCOCC(F)(F)F ZINC000049312606 214000747 /nfs/dbraw/zinc/00/07/47/214000747.db2.gz YTKMLGYOFDPTLS-UHFFFAOYSA-N 0 0 344.196 4.092 10 0 EIAERN CCC[C@@H](Nc1ncc(Br)cc1N)c1cccs1 ZINC000049542407 214015512 /nfs/dbraw/zinc/01/55/12/214015512.db2.gz ZECIXOYCMCOQHM-LLVKDONJSA-N 0 0 326.263 4.441 10 0 EIAERN CCCc1nnc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)s1 ZINC000018840117 211996092 /nfs/dbraw/zinc/99/60/92/211996092.db2.gz DIQSUUZGXSSXCG-FNORWQNLSA-N 0 0 342.251 4.449 10 0 EIAERN CSc1ccc(CNc2nncc(-c3cccc(F)c3)n2)cc1 ZINC000012429647 211378616 /nfs/dbraw/zinc/37/86/16/211378616.db2.gz MLHKVTZPPGHPEV-UHFFFAOYSA-N 0 0 326.400 4.012 10 0 EIAERN CC[C@H](C)NC(=O)c1csc2nc(-c3ccc(Cl)cc3)cn12 ZINC000012303100 211338910 /nfs/dbraw/zinc/33/89/10/211338910.db2.gz RMOFKTMTNSLQPY-JTQLQIEISA-N 0 0 333.844 4.245 10 0 EIAERN CC(=O)Nc1sc2cnccc2c1C(=O)c1ccc(Cl)cc1 ZINC000090759798 217951047 /nfs/dbraw/zinc/95/10/47/217951047.db2.gz HVUAERBVZFEUKO-UHFFFAOYSA-N 0 0 330.796 4.139 10 0 EIAERN COC(=O)c1sc2ncnc(Nc3ccc(C)c(Cl)c3)c2c1C ZINC000012131596 211302253 /nfs/dbraw/zinc/30/22/53/211302253.db2.gz UTSDXOWXILNCQT-UHFFFAOYSA-N 0 0 347.827 4.492 10 0 EIAERN OC[C@H](c1c2c(nn1-c1ccc(F)cc1)CCC2)C1CCCCC1 ZINC000091691110 218048197 /nfs/dbraw/zinc/04/81/97/218048197.db2.gz OMZVDFZOZYWUPN-SFHVURJKSA-N 0 0 328.431 4.156 10 0 EIAERN O=C(Nc1nc(-c2ccco2)c(-c2ccncc2)s1)c1ccncc1 ZINC000011689334 211234332 /nfs/dbraw/zinc/23/43/32/211234332.db2.gz DYPZHZAWVCUTMS-UHFFFAOYSA-N 0 0 348.387 4.112 10 0 EIAERN CCOC(=O)c1cc(OC(C)=O)c2cc(OC)cc(C(C)C)c2c1 ZINC000095937558 218452322 /nfs/dbraw/zinc/45/23/22/218452322.db2.gz BRFHWPQQLGZKEG-UHFFFAOYSA-N 0 0 330.380 4.074 10 0 EIAERN CC(C)(C)OC(=O)n1cc(Br)c2c1cc(F)cc2F ZINC000095930581 218450701 /nfs/dbraw/zinc/45/07/01/218450701.db2.gz KGGZNYFPWHJYRI-UHFFFAOYSA-N 0 0 332.144 4.465 10 0 EIAERN COc1ccc(CCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000006824146 210723598 /nfs/dbraw/zinc/72/35/98/210723598.db2.gz SSSGOVUQYBCEMZ-VZLUNSFSSA-N 0 0 341.495 4.349 10 0 EIAERN S=c1n2n(c(=S)n1-c1cccc(Br)c1)CCCC2 ZINC000005161763 210402431 /nfs/dbraw/zinc/40/24/31/210402431.db2.gz FKCFUYZFLCIYLJ-UHFFFAOYSA-N 0 0 342.287 4.096 10 0 EIAERN CN(C)c1ccc(NC(=O)CSc2ccc3ccccc3n2)cc1 ZINC000097513929 219031195 /nfs/dbraw/zinc/03/11/95/219031195.db2.gz KXSXTDPVEADVKI-UHFFFAOYSA-N 0 0 337.448 4.032 10 0 EIAERN Nc1ccc2c(c1)N(C(=O)c1ccc(Cl)c(Cl)c1)CCS2 ZINC000038051219 132396489 /nfs/dbraw/zinc/39/64/89/132396489.db2.gz LXFZUCGDBXAHMP-UHFFFAOYSA-N 0 0 339.247 4.328 10 0 EIAERN CN(C(=O)C(F)(F)F)c1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000226270288 535957846 /nfs/dbraw/zinc/95/78/46/535957846.db2.gz SMLZYTJBKGQBAO-UHFFFAOYSA-N 0 0 338.260 4.159 10 0 EIAERN O=C(Nc1ccccc1)OCc1nccn1Cc1ccc(Cl)cc1 ZINC000000169788 563250803 /nfs/dbraw/zinc/25/08/03/563250803.db2.gz YRJWNCQIYMWAMB-UHFFFAOYSA-N 0 0 341.798 4.334 10 0 EIAERN CN(Cc1cccc(C(F)(F)F)c1)c1nccc(-c2cccnc2)n1 ZINC000096164060 563979932 /nfs/dbraw/zinc/97/99/32/563979932.db2.gz MLGOODLVXCXDQT-UHFFFAOYSA-N 0 0 344.340 4.194 10 0 EIAERN O=C(Nc1cccc(C(F)(F)F)c1)OCc1ccc2c(c1)OCO2 ZINC000048524354 564031780 /nfs/dbraw/zinc/03/17/80/564031780.db2.gz IVXKVVSWUUERPD-UHFFFAOYSA-N 0 0 339.269 4.183 10 0 EIAERN CC[C@@H](C)OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1cccc(C)c1C ZINC000005909350 564033047 /nfs/dbraw/zinc/03/30/47/564033047.db2.gz KYPBUMIKKBOXAK-HYVNUMGLSA-N 0 0 329.440 4.166 10 0 EIAERN Cc1cc(C(F)(F)F)nc2ccc(I)cc12 ZINC000669372630 564084073 /nfs/dbraw/zinc/08/40/73/564084073.db2.gz UQOTYWURPDQBSE-UHFFFAOYSA-N 0 0 337.082 4.167 10 0 EIAERN CC(C)(C)OC(=O)NC1CCC(c2cc(F)cc(F)c2N)CC1 ZINC000536950739 564091734 /nfs/dbraw/zinc/09/17/34/564091734.db2.gz YKQONTFXKXBRJS-UHFFFAOYSA-N 0 0 326.387 4.098 10 0 EIAERN Cc1ccc(Cn2cc(-c3ccncc3)cc2C(=O)N2CCCC2)cc1 ZINC000065209774 564102730 /nfs/dbraw/zinc/10/27/30/564102730.db2.gz NLOBKTCLKBJXQR-UHFFFAOYSA-N 0 0 345.446 4.143 10 0 EIAERN Clc1ccc(CNc2ccccc2N2CCOCC2)c(Cl)c1 ZINC000226240172 564117134 /nfs/dbraw/zinc/11/71/34/564117134.db2.gz KETHTKGLDXWYGZ-UHFFFAOYSA-N 0 0 337.250 4.442 10 0 EIAERN O=C(Nc1ccccc1N1CCCCC1)N[C@H]1CCc2ccccc21 ZINC000071849594 564175975 /nfs/dbraw/zinc/17/59/75/564175975.db2.gz LHNGAAHMPUMYDD-SFHVURJKSA-N 0 0 335.451 4.486 10 0 EIAERN CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)CCCOCc1ccccc1 ZINC000685958547 564177080 /nfs/dbraw/zinc/17/70/80/564177080.db2.gz UQDNEJJCRRCOLV-INIZCTEOSA-N 0 0 349.471 4.198 10 0 EIAERN C[C@@H](COCc1ccccc1)CC(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC000685962858 564177261 /nfs/dbraw/zinc/17/72/61/564177261.db2.gz XPPXOEIWKQTAKI-HZPDHXFCSA-N 0 0 349.471 4.054 10 0 EIAERN CCN(CC(=O)C[C@H](C)COCc1ccccc1)C(=O)OC(C)(C)C ZINC000685962738 564177263 /nfs/dbraw/zinc/17/72/63/564177263.db2.gz RTAZIIPYSMYKGO-INIZCTEOSA-N 0 0 349.471 4.056 10 0 EIAERN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)CCCOCc1ccccc1 ZINC000405586179 564177611 /nfs/dbraw/zinc/17/76/11/564177611.db2.gz HKKPYHZSJKLMMI-SFHVURJKSA-N 0 0 349.471 4.102 10 0 EIAERN CCc1nc2cc(I)ccc2c(CC)c1C ZINC000669371914 568420427 /nfs/dbraw/zinc/42/04/27/568420427.db2.gz BGWXRLDJEMDKCU-UHFFFAOYSA-N 0 0 325.193 4.273 10 0 EIAERN CC(C)(C)[C@@H](NC(=O)N1CCC(n2ccnc2)CC1)c1cccs1 ZINC000103308040 1022685321 /nfs/dbraw/zinc/68/53/21/1022685321.db2.gz JLZYZSIDDKETGY-INIZCTEOSA-N 0 0 346.500 4.079 10 0 EIAERN CCOCc1cccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000114813758 1029622260 /nfs/dbraw/zinc/62/22/60/1029622260.db2.gz UFMOSPLHHLZEGS-OAHLLOKOSA-N 0 0 345.468 4.091 10 0 EIAERN O=C(Nc1cc(F)ccc1Cl)N1CCC[C@H](c2nccs2)C1 ZINC000114814405 1029625408 /nfs/dbraw/zinc/62/54/08/1029625408.db2.gz BHGVXMBEOOOVKZ-JTQLQIEISA-N 0 0 339.823 4.347 10 0 EIAERN Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000114824568 1029644394 /nfs/dbraw/zinc/64/43/94/1029644394.db2.gz BYPSBQWDWNTDJX-ZBFHGGJFSA-N 0 0 329.469 4.102 10 0 EIAERN CC(C)(C)[C@H](NC(=O)C[C@H]1C(=O)Nc2ccccc21)c1cccs1 ZINC000122394274 1030813948 /nfs/dbraw/zinc/81/39/48/1030813948.db2.gz GQICCJXZZVONFY-CXAGYDPISA-N 0 0 342.464 4.078 10 0 EIAERN C[C@H](NC(=O)NC(c1cccs1)c1cccs1)c1ccncc1 ZINC000122424357 1030829148 /nfs/dbraw/zinc/82/91/48/1030829148.db2.gz FHBOBHBVLHMQJJ-LBPRGKRZSA-N 0 0 343.477 4.354 10 0 EIAERN C[C@H]1c2ccccc2O[C@H]1C(=O)N(Cc1ccccc1)c1ccccn1 ZINC000117587980 1031150300 /nfs/dbraw/zinc/15/03/00/1031150300.db2.gz KFSHYXWUKNHWSB-HRAATJIYSA-N 0 0 344.414 4.180 10 0 EIAERN C[C@H](NC(=O)N1CC=C(c2cccs2)CC1)c1cccc(O)c1 ZINC000118075324 1031342071 /nfs/dbraw/zinc/34/20/71/1031342071.db2.gz WXYQBEKDLYDKBD-ZDUSSCGKSA-N 0 0 328.437 4.014 10 0 EIAERN O=C(N[C@@H]1CCCOc2ccccc21)N1CCC[C@@H]1c1ccco1 ZINC000116426728 1031383832 /nfs/dbraw/zinc/38/38/32/1031383832.db2.gz WYUSJFBBWCCMNM-HZPDHXFCSA-N 0 0 326.396 4.040 10 0 EIAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCC[C@@H]2c2ccccc2)n1 ZINC000119131726 1031407727 /nfs/dbraw/zinc/40/77/27/1031407727.db2.gz ZNYRSINSDMQHBS-MRXNPFEDSA-N 0 0 347.409 4.454 10 0 EIAERN CC(C)(C)Oc1ccc(NC(=O)N2CCO[C@H](c3ccco3)C2)cc1 ZINC000123812245 1031486799 /nfs/dbraw/zinc/48/67/99/1031486799.db2.gz RZCRWANAPYTLCQ-KRWDZBQOSA-N 0 0 344.411 4.062 10 0 EIAERN O=C(Nc1ccc2c(c1)COC2)N1CC=C(c2cccs2)CC1 ZINC000092165101 1039482417 /nfs/dbraw/zinc/48/24/17/1039482417.db2.gz HRGBYHZJMNUCNF-UHFFFAOYSA-N 0 0 326.421 4.100 10 0 EIAERN CCCC(=CC(=O)N[C@H](c1noc(C)n1)c1ccccc1F)CCC ZINC000092392130 1039537977 /nfs/dbraw/zinc/53/79/77/1039537977.db2.gz NACGZOXDACIBRD-SFHVURJKSA-N 0 0 345.418 4.249 10 0 EIAERN COc1ccc(CN2CC=C(c3cccs3)CC2)c(OC)c1OC ZINC000093533738 1039710754 /nfs/dbraw/zinc/71/07/54/1039710754.db2.gz FJSWEZBAWRSNAQ-UHFFFAOYSA-N 0 0 345.464 4.063 10 0 EIAERN c1csc(Cn2cccc2CN2CCO[C@@H](c3ccsc3)C2)c1 ZINC000093768159 1039744671 /nfs/dbraw/zinc/74/46/71/1039744671.db2.gz HAIBOKMNEUSKLN-GOSISDBHSA-N 0 0 344.505 4.233 10 0 EIAERN C[C@H]1CCN(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)C[C@@H](C)C1 ZINC000093352385 1042843816 /nfs/dbraw/zinc/84/38/16/1042843816.db2.gz MQVKIQUQXSRWSO-QWRGUYRKSA-N 0 0 336.386 4.400 10 0 EIAERN O=C(c1cc2c(s1)CCCC2)N1CCC[C@@H](c2nccs2)C1 ZINC000067046630 1045735428 /nfs/dbraw/zinc/73/54/28/1045735428.db2.gz XDRKHYLKGNMZJS-CYBMUJFWSA-N 0 0 332.494 4.103 10 0 EIAERN Cc1cccc(CSCC(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000067046665 1045735693 /nfs/dbraw/zinc/73/56/93/1045735693.db2.gz JDFMZBJDAXTKBX-MRXNPFEDSA-N 0 0 346.521 4.091 10 0 EIAERN C[C@H](Oc1cccc(C=O)c1)C(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000076651413 1045901664 /nfs/dbraw/zinc/90/16/64/1045901664.db2.gz PLHVLCOJLVQTGO-MAUKXSAKSA-N 0 0 341.407 4.003 10 0 EIAERN O=[S@](Cc1ncc(-c2ccccc2Cl)o1)c1ccccc1F ZINC000080138912 1046454702 /nfs/dbraw/zinc/45/47/02/1046454702.db2.gz VRFXAKHQYDKKJB-QFIPXVFZSA-N 0 0 335.787 4.442 10 0 EIAERN COc1ccc(Cl)cc1C[C@@H](O)c1ccc(Br)cc1 ZINC000053781689 214197771 /nfs/dbraw/zinc/19/77/71/214197771.db2.gz LJAMXEHQLZLQSU-CQSZACIVSA-N 0 0 341.632 4.387 10 0 EIAERN O[C@H](Cc1cc(Br)cs1)c1cc(F)c(F)c(F)c1 ZINC000053786465 214199463 /nfs/dbraw/zinc/19/94/63/214199463.db2.gz GOJGFYWDJDHQOA-LLVKDONJSA-N 0 0 337.160 4.204 10 0 EIAERN CCOC(=O)c1cnc2ccc(OCC)cc2c1N1CCCCCC1 ZINC000004562971 210221774 /nfs/dbraw/zinc/22/17/74/210221774.db2.gz AVRVSNNOYFYQPU-UHFFFAOYSA-N 0 0 342.439 4.191 10 0 EIAERN Cc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc(Cl)cc1)C(C)C ZINC000003549204 210051519 /nfs/dbraw/zinc/05/15/19/210051519.db2.gz XRGXJPCCYBSCRV-KRWDZBQOSA-N 0 0 344.842 4.042 10 0 EIAERN CC[C@H]1CCCC[C@@H]1OC(=O)c1cc(Br)ccc1N ZINC000104169990 219354909 /nfs/dbraw/zinc/35/49/09/219354909.db2.gz FNPPWJRZILZCST-HZMBPMFUSA-N 0 0 326.234 4.157 10 0 EIAERN Cc1c(-c2ccc(Br)cc2)nc2sc(C3CC3)nn12 ZINC000040963962 213404331 /nfs/dbraw/zinc/40/43/31/213404331.db2.gz SURMMEMVZVRINV-UHFFFAOYSA-N 0 0 334.242 4.406 10 0 EIAERN CCN[C@@H](c1sccc1Br)c1cc(F)ccc1F ZINC000104288090 219370075 /nfs/dbraw/zinc/37/00/75/219370075.db2.gz OBFSINWTEFSVAQ-GFCCVEGCSA-N 0 0 332.213 4.488 10 0 EIAERN CCN[C@H](c1sccc1Br)c1cc(F)ccc1F ZINC000104288085 219370244 /nfs/dbraw/zinc/37/02/44/219370244.db2.gz OBFSINWTEFSVAQ-LBPRGKRZSA-N 0 0 332.213 4.488 10 0 EIAERN COc1cc(Cl)c(C)cc1NC(=S)NC(=O)C1CCCCC1 ZINC000040898844 213398673 /nfs/dbraw/zinc/39/86/73/213398673.db2.gz XCIVYJPBTVZQIJ-UHFFFAOYSA-N 0 0 340.876 4.050 10 0 EIAERN CC(C)c1ccccc1NC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000040839060 213393776 /nfs/dbraw/zinc/39/37/76/213393776.db2.gz XEBGSKNILIKFIJ-KRWDZBQOSA-N 0 0 340.448 4.252 10 0 EIAERN O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2c1cccc2Cl ZINC000040828817 213391097 /nfs/dbraw/zinc/39/10/97/213391097.db2.gz MIAQTWNDRFRVOQ-UHFFFAOYSA-N 0 0 339.700 4.088 10 0 EIAERN CCOC(CCOc1ccc(Cl)cc1Br)OCC ZINC000104360650 219379282 /nfs/dbraw/zinc/37/92/82/219379282.db2.gz GUSLDPYDPMUTFE-UHFFFAOYSA-N 0 0 337.641 4.271 10 0 EIAERN Nc1c(Nc2ccc(F)cc2F)ncnc1NC1CCCCCC1 ZINC000040800240 213388894 /nfs/dbraw/zinc/38/88/94/213388894.db2.gz VXGCEGXRPJSWQT-UHFFFAOYSA-N 0 0 333.386 4.215 10 0 EIAERN Nc1c(Nc2ccc(F)c(F)c2)ncnc1Nc1ccc(F)cc1F ZINC000040800222 213388340 /nfs/dbraw/zinc/38/83/40/213388340.db2.gz BEWUTDZYMDXIAT-UHFFFAOYSA-N 0 0 349.291 4.102 10 0 EIAERN Cc1ccc2c(cccc2Nc2ncnc(NCCC(C)C)c2N)n1 ZINC000040797907 213388489 /nfs/dbraw/zinc/38/84/89/213388489.db2.gz FXVCFORCEWRQOF-UHFFFAOYSA-N 0 0 336.443 4.117 10 0 EIAERN CCc1ccc(Oc2ncnc(Nc3cc(F)ccc3F)c2N)cc1 ZINC000040800166 213388345 /nfs/dbraw/zinc/38/83/45/213388345.db2.gz CTWASCCIKXKADP-UHFFFAOYSA-N 0 0 342.349 4.435 10 0 EIAERN Cc1ccccc1Nc1ncnc(Nc2cccc3ncccc32)c1N ZINC000040781214 213385621 /nfs/dbraw/zinc/38/56/21/213385621.db2.gz LRMNJAKQQMUMMK-UHFFFAOYSA-N 0 0 342.406 4.403 10 0 EIAERN Cc1ccc(Oc2ncnc(Nc3cc(F)ccc3F)c2N)cc1 ZINC000040796286 213386758 /nfs/dbraw/zinc/38/67/58/213386758.db2.gz FQPXFAPNJLNVHS-UHFFFAOYSA-N 0 0 328.322 4.181 10 0 EIAERN Nc1c(Nc2ccc(F)cc2F)ncnc1Sc1ccccc1 ZINC000040783231 213386606 /nfs/dbraw/zinc/38/66/06/213386606.db2.gz YUATVQKKWCDOEE-UHFFFAOYSA-N 0 0 330.363 4.232 10 0 EIAERN Nc1c(Nc2ccccc2F)ncnc1Nc1ccccc1Cl ZINC000040759150 213382683 /nfs/dbraw/zinc/38/26/83/213382683.db2.gz PYXPRMLSDYPCNJ-UHFFFAOYSA-N 0 0 329.766 4.339 10 0 EIAERN Cc1cccc(Nc2ncnc(Nc3ccc(F)c(F)c3)c2N)c1C ZINC000040755244 213382851 /nfs/dbraw/zinc/38/28/51/213382851.db2.gz BKLXDHWQZFWXLB-UHFFFAOYSA-N 0 0 341.365 4.441 10 0 EIAERN CC(C)Nc1ncnc(NC(c2ccccc2)c2ccccc2)c1N ZINC000040708209 213372020 /nfs/dbraw/zinc/37/20/20/213372020.db2.gz CQOHVYJDZFRBFY-UHFFFAOYSA-N 0 0 333.439 4.081 10 0 EIAERN Nc1c(Nc2cccnc2)ncnc1Nc1ccc(Cl)c(Cl)c1 ZINC000040704081 213371485 /nfs/dbraw/zinc/37/14/85/213371485.db2.gz SJXJSMOGKMFDGK-UHFFFAOYSA-N 0 0 347.209 4.248 10 0 EIAERN Cc1ccc(Nc2ncnc(N3CCc4ccccc43)c2N)cc1C ZINC000040687266 213368831 /nfs/dbraw/zinc/36/88/31/213368831.db2.gz OATMRTZXCPBYRG-UHFFFAOYSA-N 0 0 331.423 4.113 10 0 EIAERN Cc1c(Cl)cccc1Nc1[nH]cnc(=NNc2ccccc2)c1N ZINC000040701543 213371910 /nfs/dbraw/zinc/37/19/10/213371910.db2.gz CAGVLJFNLWXYEH-UHFFFAOYSA-N 0 0 340.818 4.203 10 0 EIAERN Brc1ccc2sc(NCc3cscn3)nc2c1 ZINC000104443756 219387192 /nfs/dbraw/zinc/38/71/92/219387192.db2.gz UHHDTFMLYAHENK-UHFFFAOYSA-N 0 0 326.244 4.127 10 0 EIAERN CCCCn1nc(Cc2ccccc2Cl)c2ccccc2c1=O ZINC000040563972 213351659 /nfs/dbraw/zinc/35/16/59/213351659.db2.gz FMYKRJUBAUGKCK-UHFFFAOYSA-N 0 0 326.827 4.441 10 0 EIAERN COCCCn1c(COc2ccccc2)nc2cc(Cl)ccc21 ZINC000040402903 213298730 /nfs/dbraw/zinc/29/87/30/213298730.db2.gz LPFUZJWQPIVJLP-UHFFFAOYSA-N 0 0 330.815 4.305 10 0 EIAERN Cc1ccccc1NC(=O)Cn1c2ccccc2nc1-c1ccco1 ZINC000040307822 213290052 /nfs/dbraw/zinc/29/00/52/213290052.db2.gz FAEIICSOZQGWME-UHFFFAOYSA-N 0 0 331.375 4.243 10 0 EIAERN Cc1cc(=O)n(Cc2cccc(Br)c2)c2ccccc12 ZINC000040311826 213291022 /nfs/dbraw/zinc/29/10/22/213291022.db2.gz OLAQVVQLJOXVAC-UHFFFAOYSA-N 0 0 328.209 4.121 10 0 EIAERN O=C(Nc1nnc(-c2cccnc2)s1)c1cccc2ccccc21 ZINC000040311704 213290801 /nfs/dbraw/zinc/29/08/01/213290801.db2.gz OTLKSERIALVPGP-UHFFFAOYSA-N 0 0 332.388 4.006 10 0 EIAERN CC(C)(C)NC(=O)Cn1c2ccccc2nc1-c1ccccc1Cl ZINC000040306650 213290349 /nfs/dbraw/zinc/29/03/49/213290349.db2.gz LEODEFCQGQZOJE-UHFFFAOYSA-N 0 0 341.842 4.271 10 0 EIAERN CC(C)Cn1c(CNC(=O)c2ccccc2Cl)nc2ccccc21 ZINC000040277178 213286998 /nfs/dbraw/zinc/28/69/98/213286998.db2.gz AEXNWKMELLEDNP-UHFFFAOYSA-N 0 0 341.842 4.276 10 0 EIAERN COc1ccc([C@H](O)c2ccccc2Cl)cc1Br ZINC000040241346 213285325 /nfs/dbraw/zinc/28/53/25/213285325.db2.gz CJNGSPSEZLAPDS-AWEZNQCLSA-N 0 0 327.605 4.193 10 0 EIAERN COC(=O)Cn1c2ccccc2nc1-c1ccc(Cl)cc1Cl ZINC000040210988 213281649 /nfs/dbraw/zinc/28/16/49/213281649.db2.gz ZHKVTHGAMDBROF-UHFFFAOYSA-N 0 0 335.190 4.183 10 0 EIAERN CCCCCCn1c(CCNC(=O)c2ccco2)nc2ccccc21 ZINC000040199020 213280513 /nfs/dbraw/zinc/28/05/13/213280513.db2.gz BBKDRDKCXZNHBB-UHFFFAOYSA-N 0 0 339.439 4.182 10 0 EIAERN Cc1ccc(-c2oc3ccccc3c(=O)c2OCCC[NH+](C)C)cc1 ZINC000040168078 213278006 /nfs/dbraw/zinc/27/80/06/213278006.db2.gz GKUGZBNJHHIATM-UHFFFAOYSA-N 0 0 337.419 4.099 10 0 EIAERN O=C1CCCCCCCCC(=O)NCCCCCCCCCCN1 ZINC000038243892 213206619 /nfs/dbraw/zinc/20/66/19/213206619.db2.gz SZGFECQCECPUNQ-UHFFFAOYSA-N 0 0 338.536 4.474 10 0 EIAERN CN(C)c1ccc(NC(=O)c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1 ZINC000038357310 213207232 /nfs/dbraw/zinc/20/72/32/213207232.db2.gz ARRPKRCFFXUYHQ-UHFFFAOYSA-N 0 0 346.390 4.141 10 0 EIAERN CCOCc1ccccc1NC(=O)c1nc(Cl)ccc1Cl ZINC000038103234 213202570 /nfs/dbraw/zinc/20/25/70/213202570.db2.gz DRZBIHNEAOOYBN-UHFFFAOYSA-N 0 0 325.195 4.177 10 0 EIAERN C[C@H](Nc1cccc(-n2cnnc2)c1)c1ccc(Br)s1 ZINC000038002681 213187743 /nfs/dbraw/zinc/18/77/43/213187743.db2.gz WRHNSBLLMKLMQD-JTQLQIEISA-N 0 0 349.257 4.264 10 0 EIAERN CCOC(=O)[C@@H](Nc1ccccc1Br)c1ccsc1 ZINC000037960103 213176642 /nfs/dbraw/zinc/17/66/42/213176642.db2.gz CLOOUCRIQUADRO-ZDUSSCGKSA-N 0 0 340.242 4.227 10 0 EIAERN CC(C)=CCn1c(C(=O)NCc2ccccn2)cc2sc(C)cc21 ZINC000037526648 213154695 /nfs/dbraw/zinc/15/46/95/213154695.db2.gz HNNAZRAQKPDSQJ-UHFFFAOYSA-N 0 0 339.464 4.302 10 0 EIAERN COc1cccc(COc2c(N)cc(Cl)cc2Br)c1 ZINC000037288463 213139597 /nfs/dbraw/zinc/13/95/97/213139597.db2.gz KKGJAJWLRHIMDM-UHFFFAOYSA-N 0 0 342.620 4.272 10 0 EIAERN Brc1cc(CNc2ccc(-c3nnco3)cc2)cs1 ZINC000036867845 213124927 /nfs/dbraw/zinc/12/49/27/213124927.db2.gz CILQGXJBCBFGJQ-UHFFFAOYSA-N 0 0 336.214 4.173 10 0 EIAERN COc1ccc(C)c2sc(NC(=O)c3ccc(F)cc3F)nc21 ZINC000036695277 213109878 /nfs/dbraw/zinc/10/98/78/213109878.db2.gz MODRYSIXJYOOKZ-UHFFFAOYSA-N 0 0 334.347 4.144 10 0 EIAERN Cc1nc(NC(=O)C2CC2)sc1Cc1cccc(C(F)(F)F)c1 ZINC000036639367 213106256 /nfs/dbraw/zinc/10/62/56/213106256.db2.gz JHLGOLSOSZTTOI-UHFFFAOYSA-N 0 0 340.370 4.410 10 0 EIAERN Cc1c(C(=O)Oc2ccccc2C)nnn1-c1ccc(C(C)C)cc1 ZINC000036638987 213106297 /nfs/dbraw/zinc/10/62/97/213106297.db2.gz MYQCZKHEQYHIPD-UHFFFAOYSA-N 0 0 335.407 4.227 10 0 EIAERN CCCCc1ccc(-n2nnc(C(=O)OC3CCCCC3)c2C)cc1 ZINC000036638972 213106132 /nfs/dbraw/zinc/10/61/32/213106132.db2.gz RHPMQJKYWDMQSD-UHFFFAOYSA-N 0 0 341.455 4.408 10 0 EIAERN Cc1c(C(=O)Oc2ccc(Cl)cc2)nnn1-c1cc(C)cc(C)c1 ZINC000036639082 213105901 /nfs/dbraw/zinc/10/59/01/213105901.db2.gz SBUVFNLWOANGNR-UHFFFAOYSA-N 0 0 341.798 4.065 10 0 EIAERN Nc1cc(Cl)ccc1C(=O)OCc1ccccc1Br ZINC000070136049 215676439 /nfs/dbraw/zinc/67/64/39/215676439.db2.gz LQHQVXJMVVLMHA-UHFFFAOYSA-N 0 0 340.604 4.042 10 0 EIAERN C[C@H](Nc1nc2cc(Br)ccc2s1)[C@@H]1CCCO1 ZINC000035736359 213047599 /nfs/dbraw/zinc/04/75/99/213047599.db2.gz QNLZRVGGNKIVQQ-KWQFWETISA-N 0 0 327.247 4.038 10 0 EIAERN CN[C@H](c1ccc(F)c(F)c1)c1ccc(F)cc1Br ZINC000035494758 213032111 /nfs/dbraw/zinc/03/21/11/213032111.db2.gz ZLWSKRZXBOWUKX-CQSZACIVSA-N 0 0 330.147 4.175 10 0 EIAERN CCSc1nnc(NC(=O)/C=C\c2c(F)cccc2Cl)s1 ZINC000033317168 212923978 /nfs/dbraw/zinc/92/39/78/212923978.db2.gz PNUFTGWFFBKOCW-SREVYHEPSA-N 0 0 343.836 4.095 10 0 EIAERN Cc1ccc(NC(=O)CCn2c(=O)cc(C)c3cccc(C)c32)cc1C ZINC000032526924 212808900 /nfs/dbraw/zinc/80/89/00/212808900.db2.gz YVTWOCMTOQXDOM-UHFFFAOYSA-N 0 0 348.446 4.264 10 0 EIAERN C[C@@H](O)c1cccc(OCc2ccc(Br)cc2F)c1 ZINC000035627509 213044109 /nfs/dbraw/zinc/04/41/09/213044109.db2.gz MJMJRAMXOGTJEI-SNVBAGLBSA-N 0 0 325.177 4.221 10 0 EIAERN CCOC(=O)C=C(Nc1ccc(C)cc1N)c1ccc(Cl)cc1 ZINC000072236446 216076630 /nfs/dbraw/zinc/07/66/30/216076630.db2.gz VCQWGVOQTWEEID-GZTJUZNOSA-N 0 0 330.815 4.247 10 0 EIAERN CCN(CC)c1nc2ccccc2c(NCc2ccc(OC)cc2)n1 ZINC000072260748 216085678 /nfs/dbraw/zinc/08/56/78/216085678.db2.gz XJNMTPJCUZKUGR-UHFFFAOYSA-N 0 0 336.439 4.097 10 0 EIAERN CC[C@@H](C)OC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(C)cc1C ZINC000000136076 209443521 /nfs/dbraw/zinc/44/35/21/209443521.db2.gz CGBCRBYNAHLMOW-IKGGRYGDSA-N 0 0 329.440 4.166 10 0 EIAERN COc1cc(Br)cc(C)c1N[C@@H]1CCCC[C@H]1OC ZINC000037776787 213166466 /nfs/dbraw/zinc/16/64/66/213166466.db2.gz SJXUTVXRZQVQRR-CHWSQXEVSA-N 0 0 328.250 4.136 10 0 EIAERN CCSc1ccccc1NC(=O)c1cc(Br)cn1C ZINC000037790936 213167142 /nfs/dbraw/zinc/16/71/42/213167142.db2.gz PLJRMEBQXHFLBE-UHFFFAOYSA-N 0 0 339.258 4.152 10 0 EIAERN C[C@@H](Nc1ccc(Br)c(C(F)(F)F)c1)c1cc[nH]n1 ZINC000037907324 213172409 /nfs/dbraw/zinc/17/24/09/213172409.db2.gz ZWUHRUMZMVIWJJ-SSDOTTSWSA-N 0 0 334.139 4.364 10 0 EIAERN Cc1ccc(-c2ccnc3nc(Nc4ccccc4C)[nH]c(=O)c32)cc1 ZINC000072440337 216233149 /nfs/dbraw/zinc/23/31/49/216233149.db2.gz NEJHEOLKFPQXGR-UHFFFAOYSA-N 0 0 342.402 4.346 10 0 EIAERN Cc1ccc(-c2ccc(C(=O)Nc3cccc(Cl)c3)c(=O)[nH]2)cc1 ZINC000072451029 216238552 /nfs/dbraw/zinc/23/85/52/216238552.db2.gz GSVMAYRGFBYYGB-UHFFFAOYSA-N 0 0 338.794 4.256 10 0 EIAERN COc1ccc(-c2nc3nccc(-c4ccccc4Cl)n3n2)cc1 ZINC000072451507 216239655 /nfs/dbraw/zinc/23/96/55/216239655.db2.gz FFGWICOXFMFZAY-UHFFFAOYSA-N 0 0 336.782 4.120 10 0 EIAERN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1nc(Cl)ccc1Cl ZINC000027850536 212581143 /nfs/dbraw/zinc/58/11/43/212581143.db2.gz JVKMLXQUCFLXOE-YUMQZZPRSA-N 0 0 341.160 4.239 10 0 EIAERN C[C@@H](Nc1cccc(-n2cnnc2)c1)c1ccc(Br)s1 ZINC000038002682 213187262 /nfs/dbraw/zinc/18/72/62/213187262.db2.gz WRHNSBLLMKLMQD-SNVBAGLBSA-N 0 0 349.257 4.264 10 0 EIAERN NC(=O)c1cc2c(cncc2Nc2ccc(-c3ccccc3)cc2)[nH]1 ZINC000202096831 241040724 /nfs/dbraw/zinc/04/07/24/241040724.db2.gz WEAUFJXFCBBJJI-UHFFFAOYSA-N 0 0 328.375 4.072 10 0 EIAERN Cc1cc(N)c(NC(=O)c2cccc(Br)c2)cc1Cl ZINC000226346991 242099813 /nfs/dbraw/zinc/09/98/13/242099813.db2.gz VPRVNCXGHKKMBS-UHFFFAOYSA-N 0 0 339.620 4.245 10 0 EIAERN Cc1cc(N)c(NC(=O)COc2ccc(C(C)C)cc2)cc1Cl ZINC000226358762 242102223 /nfs/dbraw/zinc/10/22/23/242102223.db2.gz OXWIULIBAXQZHP-UHFFFAOYSA-N 0 0 332.831 4.372 10 0 EIAERN O=S(=O)(Oc1ccc(Cl)cc1)c1ccc2c3c(cccc31)CC2 ZINC000226861835 242118165 /nfs/dbraw/zinc/11/81/65/242118165.db2.gz ALEIGJRQTHWCDP-UHFFFAOYSA-N 0 0 344.819 4.360 10 0 EIAERN CC(C)C(=O)Nc1ccc(N2Cc3ccccc3C2=O)cc1Cl ZINC000226287396 242094310 /nfs/dbraw/zinc/09/43/10/242094310.db2.gz LIYKPAJMOBJRRA-UHFFFAOYSA-N 0 0 328.799 4.095 10 0 EIAERN Cc1ccccc1C(=O)Nc1ccc(N2Cc3ccccc3C2=O)cc1 ZINC000226287677 242094405 /nfs/dbraw/zinc/09/44/05/242094405.db2.gz SFWHTDASXMWKNB-UHFFFAOYSA-N 0 0 342.398 4.408 10 0 EIAERN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(-c3cc(N)ccc3Cl)o2)C1 ZINC000226301480 242096874 /nfs/dbraw/zinc/09/68/74/242096874.db2.gz OMZKFMIWRSTRII-VXGBXAGGSA-N 0 0 332.831 4.300 10 0 EIAERN C[C@H]1C[C@H](C)CN(C(=O)c2ccc(-c3ccc(Cl)c(N)c3)o2)C1 ZINC000226301516 242096914 /nfs/dbraw/zinc/09/69/14/242096914.db2.gz ZCBGOBKRWZUCNX-RYUDHWBXSA-N 0 0 332.831 4.300 10 0 EIAERN Cc1cc(N)c(NC(=O)c2ccccc2Cl)cc1N1CCCCC1 ZINC000226330101 242098903 /nfs/dbraw/zinc/09/89/03/242098903.db2.gz IJNKSJWTUMLDMJ-UHFFFAOYSA-N 0 0 343.858 4.473 10 0 EIAERN NC(=O)/C=C/c1ccc(OCc2ccc(F)cc2Cl)c(Cl)c1 ZINC000226334357 242098927 /nfs/dbraw/zinc/09/89/27/242098927.db2.gz MFXQRXNOUIPMHQ-QHHAFSJGSA-N 0 0 340.181 4.210 10 0 EIAERN O=C1CCCN=C(c2ccccc2)c2cc(Br)ccc2N1 ZINC000255989229 244058792 /nfs/dbraw/zinc/05/87/92/244058792.db2.gz NBAJSVVMPUMOPL-UHFFFAOYSA-N 0 0 343.224 4.019 10 0 EIAERN Cc1cccc(N2C[C@@H](C(=O)Nc3ccccc3C(C)C)CC2=O)c1 ZINC000020372376 212123598 /nfs/dbraw/zinc/12/35/98/212123598.db2.gz WWDPZFBLUZVKQN-INIZCTEOSA-N 0 0 336.435 4.110 10 0 EIAERN CCN(CCO)c1ncnc2scc(-c3ccc(C(C)C)cc3)c21 ZINC000020320245 212118866 /nfs/dbraw/zinc/11/88/66/212118866.db2.gz VTIHKZBGTBOJHL-UHFFFAOYSA-N 0 0 341.480 4.300 10 0 EIAERN Cc1ccc(/C=C2/SC(=O)N(CNc3ccccc3C)C2=O)o1 ZINC000020071617 212099623 /nfs/dbraw/zinc/09/96/23/212099623.db2.gz SOAVEQNXOMGKJY-OQLLNIDSSA-N 0 0 328.393 4.002 10 0 EIAERN CN1C(c2cccnc2)N(C)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000019324151 212015572 /nfs/dbraw/zinc/01/55/72/212015572.db2.gz ISMDCWVUPABFCQ-SFTDATJTSA-N 0 0 329.447 4.440 10 0 EIAERN C[C@@H](O)c1cccc(OCc2ccc(F)c(Br)c2)c1 ZINC000049596612 214021841 /nfs/dbraw/zinc/02/18/41/214021841.db2.gz FHIUOTGWAMPONP-SNVBAGLBSA-N 0 0 325.177 4.221 10 0 EIAERN CC(C)[C@H](Nc1ncc(Br)cc1N)c1cccs1 ZINC000049555153 214018717 /nfs/dbraw/zinc/01/87/17/214018717.db2.gz UXGSWLHCBOZIJY-LBPRGKRZSA-N 0 0 326.263 4.297 10 0 EIAERN C[C@@H](NC(=O)c1ccc(N(C)C)cc1)c1ccccc1Br ZINC000017964583 211976136 /nfs/dbraw/zinc/97/61/36/211976136.db2.gz SFAUBNQVBGOXHF-GFCCVEGCSA-N 0 0 347.256 4.006 10 0 EIAERN COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1Oc1ccccc1 ZINC000013651710 211600026 /nfs/dbraw/zinc/60/00/26/211600026.db2.gz ILLVETOTMZZQPT-UHFFFAOYSA-N 0 0 349.386 4.441 10 0 EIAERN CCOc1cc(-c2ccccc2)nc2nc(Br)ccc12 ZINC000013579557 211584903 /nfs/dbraw/zinc/58/49/03/211584903.db2.gz KLQJOMKIBCTFIK-UHFFFAOYSA-N 0 0 329.197 4.458 10 0 EIAERN c1ccc2cc(-c3cnnc(NCCCc4cccnc4)n3)ccc2c1 ZINC000012432751 211380405 /nfs/dbraw/zinc/38/04/05/211380405.db2.gz LGZFTPXTWIAEEG-UHFFFAOYSA-N 0 0 341.418 4.132 10 0 EIAERN CCC(=O)Oc1c(C)s/c(=N\c2ccc(C)c(C)c2)n1C(=O)CC ZINC000011638112 211228228 /nfs/dbraw/zinc/22/82/28/211228228.db2.gz RHPTVCCURNZURU-HNENSFHCSA-N 0 0 346.452 4.073 10 0 EIAERN COc1ccc(OCCC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000011637461 211227988 /nfs/dbraw/zinc/22/79/88/211227988.db2.gz QVUZAIPFIYGXMT-UHFFFAOYSA-N 0 0 339.313 4.122 10 0 EIAERN Cc1c(Cl)cccc1NC(=O)c1n[nH]c2c1COc1ccccc1-2 ZINC000009728762 211121595 /nfs/dbraw/zinc/12/15/95/211121595.db2.gz ADFATMPPUZNMJI-UHFFFAOYSA-N 0 0 339.782 4.183 10 0 EIAERN O=C(Nc1nc(-c2ccccn2)cs1)[C@@H]1C[C@@H]1c1ccccc1F ZINC000009338507 211070971 /nfs/dbraw/zinc/07/09/71/211070971.db2.gz POMXKKUDLGDXBN-CHWSQXEVSA-N 0 0 339.395 4.086 10 0 EIAERN O=C(Nc1nc(-c2ccccn2)cs1)[C@H]1C[C@@H]1c1ccccc1F ZINC000009338505 211070708 /nfs/dbraw/zinc/07/07/08/211070708.db2.gz POMXKKUDLGDXBN-OLZOCXBDSA-N 0 0 339.395 4.086 10 0 EIAERN CC(C)(C)OC(=O)N1CCC[C@@H](CCOc2nc3ccccc3o2)C1 ZINC000095085173 218276342 /nfs/dbraw/zinc/27/63/42/218276342.db2.gz ZNBFLSHXNBERBQ-AWEZNQCLSA-N 0 0 346.427 4.244 10 0 EIAERN CC(C)(C)OC(=O)N1CCC[C@@H]1COc1nsc2ccccc21 ZINC000095085925 218277338 /nfs/dbraw/zinc/27/73/38/218277338.db2.gz JSITTZLSXLOJFR-GFCCVEGCSA-N 0 0 334.441 4.075 10 0 EIAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1COc1nsc2ccccc21 ZINC000095086656 218277465 /nfs/dbraw/zinc/27/74/65/218277465.db2.gz XIQRKYPPNDFMBN-CYBMUJFWSA-N 0 0 348.468 4.465 10 0 EIAERN CC(C)N(Cc1cccc(I)c1)C(F)(F)F ZINC000095088093 218278498 /nfs/dbraw/zinc/27/84/98/218278498.db2.gz YGVLVOAMIGZZMC-UHFFFAOYSA-N 0 0 343.130 4.021 10 0 EIAERN CC(C)N(Cc1ccc(I)cc1)C(F)(F)F ZINC000095088135 218278811 /nfs/dbraw/zinc/27/88/11/218278811.db2.gz NCSMPSKGQKFPKZ-UHFFFAOYSA-N 0 0 343.130 4.021 10 0 EIAERN C[C@H](OCC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1nccs1 ZINC000095089459 218279136 /nfs/dbraw/zinc/27/91/36/218279136.db2.gz BBLUXQIAKPAKGC-KBPBESRZSA-N 0 0 340.489 4.400 10 0 EIAERN C[C@H](OCCC[C@H]1CCCCN1C(=O)OC(C)(C)C)c1cnccn1 ZINC000095089517 218279355 /nfs/dbraw/zinc/27/93/55/218279355.db2.gz VZHRNGFYUGGDJG-JKSUJKDBSA-N 0 0 349.475 4.124 10 0 EIAERN CC(C)(O)c1nc2ccccc2n1Cc1ccc(Br)cc1 ZINC000008785931 211008022 /nfs/dbraw/zinc/00/80/22/211008022.db2.gz VHTSZPLPTONJPU-UHFFFAOYSA-N 0 0 345.240 4.075 10 0 EIAERN Cc1cc(C)cc(OCCCn2c3ccccc3nc2C(C)(C)O)c1 ZINC000008786010 211007268 /nfs/dbraw/zinc/00/72/68/211007268.db2.gz NMXMVGTXOXSVBF-UHFFFAOYSA-N 0 0 338.451 4.350 10 0 EIAERN COc1ccc(NC(=O)/C=C/c2ccccc2Br)cc1 ZINC000007652347 210826557 /nfs/dbraw/zinc/82/65/57/210826557.db2.gz JFAPAGHGFCIXJU-IZZDOVSWSA-N 0 0 332.197 4.110 10 0 EIAERN NC(=O)c1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1 ZINC000005775525 210533427 /nfs/dbraw/zinc/53/34/27/210533427.db2.gz KKSVVAIVJCQDGI-UHFFFAOYSA-N 0 0 325.371 4.063 10 0 EIAERN CC(C)(C)OC(=O)N1CC[C@H](SCc2cnc(Cl)s2)C1 ZINC000085340139 257914286 /nfs/dbraw/zinc/91/42/86/257914286.db2.gz JTEWCMMEUDSBAP-VIFPVBQESA-N 0 0 334.894 4.039 10 0 EIAERN Nc1ccc2c(c1)N(C(=O)c1cccc(Cl)c1Cl)CCS2 ZINC000038051180 132396464 /nfs/dbraw/zinc/39/64/64/132396464.db2.gz GYXKIPNEYASZSF-UHFFFAOYSA-N 0 0 339.247 4.328 10 0 EIAERN Cc1cc(Oc2ncnc(N3CCC(C)CC3)c2N)ccc1Cl ZINC000040733068 132407335 /nfs/dbraw/zinc/40/73/35/132407335.db2.gz JDOLXRNUDNMEKQ-UHFFFAOYSA-N 0 0 332.835 4.049 10 0 EIAERN Cc1ccccc1-c1cc2c(N3CCc4ccccc4C3)nccn2n1 ZINC000067285407 132811886 /nfs/dbraw/zinc/81/18/86/132811886.db2.gz YKECRMGIMYNTPW-UHFFFAOYSA-N 0 0 340.430 4.267 10 0 EIAERN NC(=O)/C=C\c1ccc(OCc2ccc(F)cc2Cl)c(Cl)c1 ZINC000409416234 262504297 /nfs/dbraw/zinc/50/42/97/262504297.db2.gz MFXQRXNOUIPMHQ-KXFIGUGUSA-N 0 0 340.181 4.210 10 0 EIAERN Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)C[C@H](C)C(C)C ZINC000067820122 526264266 /nfs/dbraw/zinc/26/42/66/526264266.db2.gz NFKTWCOZWIXTQR-AWEZNQCLSA-N 0 0 330.472 4.288 10 0 EIAERN O=Cc1ccc(-c2nc(C(F)(F)F)c(Br)s2)s1 ZINC000616577103 564177338 /nfs/dbraw/zinc/17/73/38/564177338.db2.gz INRHGOPGQDMXEL-UHFFFAOYSA-N 0 0 342.161 4.465 10 0 EIAERN CC(C)NC(=O)c1cn2cc(-c3ccc(C(F)(F)F)cc3)ccc2n1 ZINC000034831140 563478506 /nfs/dbraw/zinc/47/85/06/563478506.db2.gz CUHHDXZNVUSYBD-UHFFFAOYSA-N 0 0 347.340 4.158 10 0 EIAERN COc1ccccc1NC(=O)Nc1c(C)[nH]nc1-c1ccsc1 ZINC000034796771 563481112 /nfs/dbraw/zinc/48/11/12/563481112.db2.gz PDVSONTUUUSPJU-UHFFFAOYSA-N 0 0 328.397 4.099 10 0 EIAERN CCOc1ccc(-c2nn(CN3CCCC[C@H]3C)c(=S)o2)cc1 ZINC000005713599 563546531 /nfs/dbraw/zinc/54/65/31/563546531.db2.gz LMBRVIKZDOJARI-CYBMUJFWSA-N 0 0 333.457 4.103 10 0 EIAERN O=C(c1ccccn1)C1(c2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000087493534 563974378 /nfs/dbraw/zinc/97/43/78/563974378.db2.gz JGIKSBMBQMPXOD-UHFFFAOYSA-N 0 0 336.218 4.320 10 0 EIAERN Cc1[nH]c(-c2ccc(C)cc2)cc1C(=O)N1CCc2ccccc2C1 ZINC000033281915 564036628 /nfs/dbraw/zinc/03/66/28/564036628.db2.gz JOIQLKVKYAXLBD-UHFFFAOYSA-N 0 0 330.431 4.497 10 0 EIAERN COc1ccccc1[C@@H](C)N(C)c1nncc(-c2ccccc2C)n1 ZINC000012594654 564060271 /nfs/dbraw/zinc/06/02/71/564060271.db2.gz XSGDCTWWTPKEIX-OAHLLOKOSA-N 0 0 334.423 4.053 10 0 EIAERN CCOC(=O)[C@H]1c2ccc(Cl)cc2CCN1c1ccc(F)cc1 ZINC000002527047 564065642 /nfs/dbraw/zinc/06/56/42/564065642.db2.gz RQALVIYDMVWHIV-QGZVFWFLSA-N 0 0 333.790 4.146 10 0 EIAERN C[C@H]1CCc2nc(-c3ccc(OCc4ccccc4)cc3)cc(=O)n2C1 ZINC000536951902 564091742 /nfs/dbraw/zinc/09/17/42/564091742.db2.gz ZTLXBKPQWKICCQ-INIZCTEOSA-N 0 0 346.430 4.072 10 0 EIAERN O[C@@H]1CCC[C@@H]2C[C@H]2CCC[C@@H]1Oc1cnn(Cc2ccccc2)c1 ZINC000675060669 564112279 /nfs/dbraw/zinc/11/22/79/564112279.db2.gz LDBWSUVTSWYAPA-UKAVVXHISA-N 0 0 340.467 4.030 10 0 EIAERN CCc1noc2ncc(C(=O)O[C@@H]3CC[C@@H]4CCCC[C@H]4C3)cc12 ZINC000252516000 564120247 /nfs/dbraw/zinc/12/02/47/564120247.db2.gz PEZMBXRRRCDHTD-KCQAQPDRSA-N 0 0 328.412 4.301 10 0 EIAERN Cc1nc2ccc(NC(=O)Nc3cc(C)nc4cccnc43)cc2o1 ZINC000033964216 564128435 /nfs/dbraw/zinc/12/84/35/564128435.db2.gz BGGKKLOCMASTLG-UHFFFAOYSA-N 0 0 333.351 4.032 10 0 EIAERN CC(/C=N/NC(=O)[C@@H](C)Oc1cccc(Cl)c1)=C/c1ccccc1 ZINC000048572641 564129434 /nfs/dbraw/zinc/12/94/34/564129434.db2.gz KCOFWPVSHWKUSH-LTRDVMPTSA-N 0 0 342.826 4.313 10 0 EIAERN CC(C)[C@@H](NC(=O)CCc1ccccc1)c1nc(-c2ccccc2)no1 ZINC000096277264 564146279 /nfs/dbraw/zinc/14/62/79/564146279.db2.gz XBAACKXIOFUYKH-LJQANCHMSA-N 0 0 349.434 4.183 10 0 EIAERN O=c1cc[nH]c2nc(C(Cl)(Cl)Cl)nc(-c3ccccc3)c12 ZINC000002754573 564152442 /nfs/dbraw/zinc/15/24/42/564152442.db2.gz PPFCSDNKSRZUGA-UHFFFAOYSA-N 0 0 340.597 4.224 10 0 EIAERN O=C(Nc1ccc(-c2noc(C3CCC3)n2)cc1)Nc1cccnc1 ZINC000033257403 564176398 /nfs/dbraw/zinc/17/63/98/564176398.db2.gz SKBCREXDJWSUBK-UHFFFAOYSA-N 0 0 335.367 4.043 10 0 EIAERN C[C@H](CC(=O)C[C@H](C)COCc1ccccc1)NC(=O)OC(C)(C)C ZINC000685962161 564177228 /nfs/dbraw/zinc/17/72/28/564177228.db2.gz WRVAETOGVNSBME-JKSUJKDBSA-N 0 0 349.471 4.102 10 0 EIAERN CN(CCCC(=O)CCCOCc1ccccc1)C(=O)OC(C)(C)C ZINC000405551437 564177593 /nfs/dbraw/zinc/17/75/93/564177593.db2.gz SGQCHMCKBQWCIR-UHFFFAOYSA-N 0 0 349.471 4.200 10 0 EIAERN O=C(Nc1ccc(N2Cc3ccccc3C2=O)cc1)c1ccc(F)cc1 ZINC000198749201 564177721 /nfs/dbraw/zinc/17/77/21/564177721.db2.gz MZEZACLYQWNPHD-UHFFFAOYSA-N 0 0 346.361 4.238 10 0 EIAERN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N[C@H](C)c1nccs1 ZINC000106264436 1022853924 /nfs/dbraw/zinc/85/39/24/1022853924.db2.gz CWZYBDDVRJZBRZ-DGCLKSJQSA-N 0 0 333.457 4.118 10 0 EIAERN CC(=O)Nc1ccc(NC(=O)N2CC[C@@H](C)C[C@H](C)C2)c(Cl)c1 ZINC000121428614 1025220333 /nfs/dbraw/zinc/22/03/33/1025220333.db2.gz NHJYKGQSYBAQDE-NEPJUHHUSA-N 0 0 337.851 4.198 10 0 EIAERN Cc1c2cc(Cl)ccc2oc1C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113896794 1027836940 /nfs/dbraw/zinc/83/69/40/1027836940.db2.gz JKFBGWBDMQBOIZ-OAHLLOKOSA-N 0 0 343.814 4.485 10 0 EIAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccc(SC)o3)C2)cc1 ZINC000121984796 1030552624 /nfs/dbraw/zinc/55/26/24/1030552624.db2.gz YDUUYRXMPHKUHQ-JSGCOSHPSA-N 0 0 331.437 4.028 10 0 EIAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cccn3C(C)C)C2)cc1 ZINC000122470077 1030831271 /nfs/dbraw/zinc/83/12/71/1030831271.db2.gz VQMCVEVZQOATQO-WBVHZDCISA-N 0 0 326.440 4.096 10 0 EIAERN CCOc1ccc(CCC(=O)N2CC=C(c3cccs3)CC2)cc1 ZINC000117724136 1031210057 /nfs/dbraw/zinc/21/00/57/1031210057.db2.gz KHXIUFWLLTWZLP-UHFFFAOYSA-N 0 0 341.476 4.395 10 0 EIAERN O=C(CCc1cccc(F)c1F)N1CC=C(c2cccs2)CC1 ZINC000117724082 1031211783 /nfs/dbraw/zinc/21/17/83/1031211783.db2.gz FHEFMBMKMFRXAF-UHFFFAOYSA-N 0 0 333.403 4.275 10 0 EIAERN Cc1ccccc1[C@@H](C)NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000114818209 1031371711 /nfs/dbraw/zinc/37/17/11/1031371711.db2.gz HLVLPNLKAXBOAT-CABCVRRESA-N 0 0 329.469 4.102 10 0 EIAERN CC(C)(CNC(=O)N1CCC[C@H](c2nccs2)C1)c1cccs1 ZINC000114832367 1031374467 /nfs/dbraw/zinc/37/44/67/1031374467.db2.gz LUXVIUAPMFDQLF-ZDUSSCGKSA-N 0 0 349.525 4.071 10 0 EIAERN Cc1cccc(OC(F)F)c1NC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000117640630 1031394008 /nfs/dbraw/zinc/39/40/08/1031394008.db2.gz YIPUOUJKHKARDS-BDJLRTHQSA-N 0 0 333.334 4.100 10 0 EIAERN COc1ccc(NC(=O)N2CC=C(c3cccs3)CC2)cc1F ZINC000118012793 1031397799 /nfs/dbraw/zinc/39/77/99/1031397799.db2.gz XWQSKYVDUMAJEZ-UHFFFAOYSA-N 0 0 332.400 4.217 10 0 EIAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)OCc1cnc(-c2cccs2)o1 ZINC000124702672 1031547759 /nfs/dbraw/zinc/54/77/59/1031547759.db2.gz WFDZCOAIANRYQT-ZBEGNZNMSA-N 0 0 341.388 4.011 10 0 EIAERN CO[C@H](C)c1nc(CN2CC=C(c3ccccc3F)CC2)cs1 ZINC000127490372 1031693726 /nfs/dbraw/zinc/69/37/26/1031693726.db2.gz SHITXERVTCDJKZ-CYBMUJFWSA-N 0 0 332.444 4.279 10 0 EIAERN Cc1cc(C)c(NC(=O)NC2CCN(c3cccs3)CC2)c(C)c1 ZINC000128313337 1031736481 /nfs/dbraw/zinc/73/64/81/1031736481.db2.gz UYEWGBJBKMIGLM-UHFFFAOYSA-N 0 0 343.496 4.464 10 0 EIAERN CCCCc1noc([C@H](C)N2CCC(Nc3ccccc3F)CC2)n1 ZINC000128950618 1031768824 /nfs/dbraw/zinc/76/88/24/1031768824.db2.gz MYSDYQBMXHNDAL-AWEZNQCLSA-N 0 0 346.450 4.189 10 0 EIAERN CC(C)[C@H](N[C@@H](C)c1ccc2c(c1)CCC2)c1nc(C2CC2)no1 ZINC000089670069 1039082930 /nfs/dbraw/zinc/08/29/30/1039082930.db2.gz PNLXTLBIDMDAMH-UGSOOPFHSA-N 0 0 325.456 4.484 10 0 EIAERN Cc1ccc(CN[C@@H](c2ncon2)c2ccc(Cl)cc2)c(C)c1 ZINC000090202712 1039202835 /nfs/dbraw/zinc/20/28/35/1039202835.db2.gz OODSFHRQQBSATK-QGZVFWFLSA-N 0 0 327.815 4.219 10 0 EIAERN Cc1cc(C)n(CC2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)n1 ZINC000090474337 1039232102 /nfs/dbraw/zinc/23/21/02/1039232102.db2.gz GKMOXRJWIBSJIO-UHFFFAOYSA-N 0 0 346.862 4.097 10 0 EIAERN C[C@@H](OC(=O)[C@H]1CC(=O)Nc2ccccc21)c1ccc(Cl)s1 ZINC000092487419 1039555719 /nfs/dbraw/zinc/55/57/19/1039555719.db2.gz FWEQYAJPHUEPJO-KOLCDFICSA-N 0 0 335.812 4.132 10 0 EIAERN O=C(c1cccc(F)c1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113219489 1043294061 /nfs/dbraw/zinc/29/40/61/1043294061.db2.gz VRUZOFVJRXMUSJ-KRWDZBQOSA-N 0 0 349.409 4.236 10 0 EIAERN CC[C@H](CC(=O)N1CCC[C@H](c2nccs2)C1)c1ccccc1 ZINC000067046328 1045736198 /nfs/dbraw/zinc/73/61/98/1045736198.db2.gz SEQYMGWDDHVLEY-WBVHZDCISA-N 0 0 328.481 4.433 10 0 EIAERN O=C(C[C@H]1CCCc2ccccc21)N1CCC[C@@H](c2nccs2)C1 ZINC000067048287 1045738533 /nfs/dbraw/zinc/73/85/33/1045738533.db2.gz HORJCHSUBLJDIE-IAGOWNOFSA-N 0 0 340.492 4.359 10 0 EIAERN CC[C@@H](NC(=O)N1CCO[C@H](c2ccccc2F)C1)c1cccs1 ZINC000067406583 1045741148 /nfs/dbraw/zinc/74/11/48/1045741148.db2.gz LZNWJNISNBUWLT-CVEARBPZSA-N 0 0 348.443 4.121 10 0 EIAERN Cc1csc(C2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3C)CC2)n1 ZINC000076987230 1045923671 /nfs/dbraw/zinc/92/36/71/1045923671.db2.gz LBTJUULTICORGO-ROUUACIJSA-N 0 0 340.492 4.270 10 0 EIAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)Nc3ccc(C)cc3)C2)c1 ZINC000081166261 1046909135 /nfs/dbraw/zinc/90/91/35/1046909135.db2.gz JJJTVNQVVKNHIE-OAHLLOKOSA-N 0 0 340.423 4.034 10 0 EIAERN Cc1ccc([S@](=O)Cc2ncc(-c3ccccc3Cl)o2)nc1 ZINC000083079760 1047811443 /nfs/dbraw/zinc/81/14/43/1047811443.db2.gz ULLBAGKJBPQDFO-QFIPXVFZSA-N 0 0 332.812 4.006 10 0 EIAERN CCCc1nc(N)sc1Cc1c(F)cc(F)cc1Br ZINC000050266668 214051657 /nfs/dbraw/zinc/05/16/57/214051657.db2.gz IFOPZAREVZSAAE-UHFFFAOYSA-N 0 0 347.228 4.309 10 0 EIAERN CCOc1ccc(-c2cc(C(=O)N(C)c3cccc(C)c3)n[nH]2)cc1 ZINC000051315528 214087686 /nfs/dbraw/zinc/08/76/86/214087686.db2.gz RKCQKMSSIOTCHE-UHFFFAOYSA-N 0 0 335.407 4.060 10 0 EIAERN Cc1ccc(C(N)=S)c(NCc2ccc(Br)cc2)c1 ZINC000051596534 214098057 /nfs/dbraw/zinc/09/80/57/214098057.db2.gz ADVVRCXYCXWCLS-UHFFFAOYSA-N 0 0 335.270 4.004 10 0 EIAERN CC(C)N(CCNc1ccccc1Br)CC(F)(F)F ZINC000053389848 214180140 /nfs/dbraw/zinc/18/01/40/214180140.db2.gz OBTPSSBYBKHASW-UHFFFAOYSA-N 0 0 339.199 4.134 10 0 EIAERN O=C(Cc1ccc(Br)s1)c1cc(F)c(F)c(F)c1 ZINC000053779462 214197514 /nfs/dbraw/zinc/19/75/14/214197514.db2.gz XBQYXOWVRKWURI-UHFFFAOYSA-N 0 0 335.144 4.353 10 0 EIAERN O=C(Cc1ccc(F)cc1Br)c1ccc(F)c(F)c1 ZINC000053764264 214197554 /nfs/dbraw/zinc/19/75/54/214197554.db2.gz BJGSYIQQAGPNIL-UHFFFAOYSA-N 0 0 329.115 4.292 10 0 EIAERN O[C@H](Cc1ccc(Cl)cc1)Cc1cc(Br)ccc1F ZINC000053783403 214198114 /nfs/dbraw/zinc/19/81/14/214198114.db2.gz YMLZSVBDQVBBKM-CQSZACIVSA-N 0 0 343.623 4.388 10 0 EIAERN Cc1ccc(F)cc1[C@@H](O)Cc1ccc(F)cc1Br ZINC000053787437 214198649 /nfs/dbraw/zinc/19/86/49/214198649.db2.gz GDOLRUQGBOSBCG-HNNXBMFYSA-N 0 0 327.168 4.312 10 0 EIAERN CC(C)(C)OC(=O)N[C@@H](C(=O)c1ccc(Cl)cc1)C(C)(C)C ZINC000097757535 219054585 /nfs/dbraw/zinc/05/45/85/219054585.db2.gz ZOBLCQREMYEMEJ-AWEZNQCLSA-N 0 0 325.836 4.462 10 0 EIAERN C[C@H](c1cccs1)N(C)c1cc(Br)ccc1CO ZINC000049727738 214029891 /nfs/dbraw/zinc/02/98/91/214029891.db2.gz YEAMNBYVDZFHDG-SNVBAGLBSA-N 0 0 326.259 4.200 10 0 EIAERN Cc1cc([C@@H](CO)Nc2ccc(Br)cc2)c(C)s1 ZINC000049688054 214026100 /nfs/dbraw/zinc/02/61/00/214026100.db2.gz KFHNWBXHAXHGJX-CQSZACIVSA-N 0 0 326.259 4.273 10 0 EIAERN Cc1cccc(N2N=C(c3ccccc3)NN2c2cccc(C)c2)c1 ZINC000098045323 219073367 /nfs/dbraw/zinc/07/33/67/219073367.db2.gz STCUOFCHQVHFGK-UHFFFAOYSA-N 0 0 328.419 4.411 10 0 EIAERN CC(C)(C)[S@@](=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000098095563 219083274 /nfs/dbraw/zinc/08/32/74/219083274.db2.gz MPLDQKWWOQENQW-SBKAZYGRSA-N 0 0 331.762 4.134 10 0 EIAERN CSCCn1c(C)c(C(=O)N2CCCCC2)cc1-c1ccccc1 ZINC000004390779 210186370 /nfs/dbraw/zinc/18/63/70/210186370.db2.gz CTGBBYUZNYKTLY-UHFFFAOYSA-N 0 0 342.508 4.453 10 0 EIAERN Cc1ccc(-c2nccc([C@@H]3CCCN(C(=O)c4ccoc4)C3)n2)cc1 ZINC000065135443 214831564 /nfs/dbraw/zinc/83/15/64/214831564.db2.gz BJBPZBNNLWVEPH-QGZVFWFLSA-N 0 0 347.418 4.065 10 0 EIAERN COc1cc2c(c(OC)c1)[C@@H](c1ccc(C)c3ncccc13)CC(=O)N2 ZINC000065509046 214939267 /nfs/dbraw/zinc/93/92/67/214939267.db2.gz GTEUFAUFYDAWIT-MRXNPFEDSA-N 0 0 348.402 4.035 10 0 EIAERN Cc1ccc(C)c(-c2nonc2NC(=O)c2ccc(Cl)cc2)c1 ZINC000047133321 213832590 /nfs/dbraw/zinc/83/25/90/213832590.db2.gz BQEFFUYBGDTHQA-UHFFFAOYSA-N 0 0 327.771 4.259 10 0 EIAERN COc1ccc(CN(CC(F)(F)F)C(C)C)cc1Br ZINC000042779957 213534247 /nfs/dbraw/zinc/53/42/47/213534247.db2.gz LUCWKQSANXEAMV-UHFFFAOYSA-N 0 0 340.183 4.230 10 0 EIAERN C[C@H]1CC=CC[C@@H]1COCCOc1ccc(Br)cc1 ZINC000103987665 219336290 /nfs/dbraw/zinc/33/62/90/219336290.db2.gz CKZMRVVEVLAHOC-UONOGXRCSA-N 0 0 325.246 4.447 10 0 EIAERN CCCc1cc(NCC)nc(-c2ccc(Br)s2)n1 ZINC000103969558 219334107 /nfs/dbraw/zinc/33/41/07/219334107.db2.gz OVLHLAAHITUBAL-UHFFFAOYSA-N 0 0 326.263 4.352 10 0 EIAERN CCCCOC(=O)N1[C@H]2C=C[C@H](C2)C1(C(F)(F)F)C(F)(F)F ZINC000002473149 209854960 /nfs/dbraw/zinc/85/49/60/209854960.db2.gz AQWJVHQBSHBIAH-BDAKNGLRSA-N 0 0 331.256 4.047 10 0 EIAERN Cc1ccc2c(NC(=O)c3ccc(Br)o3)ccnc2c1C ZINC000041057977 213412693 /nfs/dbraw/zinc/41/26/93/213412693.db2.gz KRGWEHSFFNSHGI-UHFFFAOYSA-N 0 0 345.196 4.459 10 0 EIAERN Cc1nc(Cl)c(C)c(NCc2cccc(Br)c2)n1 ZINC000104217085 219362390 /nfs/dbraw/zinc/36/23/90/219362390.db2.gz XUFZPALKFCEOEP-UHFFFAOYSA-N 0 0 326.625 4.121 10 0 EIAERN C[C@H](O)c1cc(Br)ccc1OCCc1cccs1 ZINC000104264843 219366492 /nfs/dbraw/zinc/36/64/92/219366492.db2.gz BPGXVXSRDKEDIS-JTQLQIEISA-N 0 0 327.243 4.185 10 0 EIAERN Cc1c(C(=O)Nc2ncccc2C)sc2nc(-c3ccccc3)cn12 ZINC000040827991 213392230 /nfs/dbraw/zinc/39/22/30/213392230.db2.gz FOMPVTIDSKSRJI-UHFFFAOYSA-N 0 0 348.431 4.327 10 0 EIAERN Cc1ccc(CNc2ncnc(Nc3ccccc3Cl)c2N)cc1 ZINC000040781295 213386174 /nfs/dbraw/zinc/38/61/74/213386174.db2.gz CDZHVFKIQOPYHS-UHFFFAOYSA-N 0 0 339.830 4.376 10 0 EIAERN Nc1c(Nc2ccc(F)cc2)ncnc1Nc1cccc(Cl)c1 ZINC000040781752 213385903 /nfs/dbraw/zinc/38/59/03/213385903.db2.gz DMXHABVBDNBECV-UHFFFAOYSA-N 0 0 329.766 4.339 10 0 EIAERN Cc1ccc(Oc2ncnc(Nc3ccc(F)c(F)c3)c2N)cc1 ZINC000040796292 213386620 /nfs/dbraw/zinc/38/66/20/213386620.db2.gz MLPHBMCHDQAKJS-UHFFFAOYSA-N 0 0 328.322 4.181 10 0 EIAERN COc1ccc(Cl)cc1Nc1ncnc(OC2CCCCC2)c1N ZINC000040702634 213372075 /nfs/dbraw/zinc/37/20/75/213372075.db2.gz FJPCNOYMRFEXLX-UHFFFAOYSA-N 0 0 348.834 4.176 10 0 EIAERN CCN(c1ccccc1)c1ncnc(Oc2ccccc2OC)c1N ZINC000040679832 213367649 /nfs/dbraw/zinc/36/76/49/213367649.db2.gz JAQCOTRYMWQHFW-UHFFFAOYSA-N 0 0 336.395 4.018 10 0 EIAERN COc1ccc(CCn2c(C)nc3ccc(Cl)cc32)cc1OC ZINC000040406883 213300712 /nfs/dbraw/zinc/30/07/12/213300712.db2.gz UEHFKIZNKRUJQY-UHFFFAOYSA-N 0 0 330.815 4.258 10 0 EIAERN OCCCn1c2ccc(C(F)(F)F)cc2nc1C1CCCCC1 ZINC000040402153 213299302 /nfs/dbraw/zinc/29/93/02/213299302.db2.gz BACCMAOJCIPKAY-UHFFFAOYSA-N 0 0 326.362 4.485 10 0 EIAERN COCCn1c(COc2ccccc2C)nc2cc(Cl)ccc21 ZINC000040404751 213298650 /nfs/dbraw/zinc/29/86/50/213298650.db2.gz DYFMJHFBRLSQQX-UHFFFAOYSA-N 0 0 330.815 4.224 10 0 EIAERN OCCCn1c2cc(Cl)ccc2nc1Cc1ccc(Cl)cc1 ZINC000040402355 213298533 /nfs/dbraw/zinc/29/85/33/213298533.db2.gz KUHSOTHSTWYJCK-UHFFFAOYSA-N 0 0 335.234 4.316 10 0 EIAERN Cc1cc2nc(CO)n(CCOc3ccc(Cl)c(C)c3)c2cc1C ZINC000040308959 213290925 /nfs/dbraw/zinc/29/09/25/213290925.db2.gz TUMYZRSGFHPGFF-UHFFFAOYSA-N 0 0 344.842 4.186 10 0 EIAERN CCC(=O)NCc1nc2ccccc2n1Cc1c(C)cc(C)cc1C ZINC000040274376 213287365 /nfs/dbraw/zinc/28/73/65/213287365.db2.gz NDYGSRBOGIOAMB-UHFFFAOYSA-N 0 0 335.451 4.036 10 0 EIAERN CC(C)C(=O)NCc1nc2ccccc2n1Cc1ccccc1Cl ZINC000040274700 213286783 /nfs/dbraw/zinc/28/67/83/213286783.db2.gz ZRSMYLAMTFUUOW-UHFFFAOYSA-N 0 0 341.842 4.010 10 0 EIAERN CC(C)OC(=O)Cn1c2ccccc2nc1-c1ccccc1Cl ZINC000040250620 213284761 /nfs/dbraw/zinc/28/47/61/213284761.db2.gz PNEHJZVPOJXLBZ-UHFFFAOYSA-N 0 0 328.799 4.308 10 0 EIAERN COCc1nc2ccccc2n1CCOc1ccc(Cl)c(C)c1 ZINC000040232017 213283638 /nfs/dbraw/zinc/28/36/38/213283638.db2.gz ZOTCIXJMTKJJEI-UHFFFAOYSA-N 0 0 330.815 4.224 10 0 EIAERN C=CC(=O)NCCCCCc1nc2ccccc2n1CCC(C)C ZINC000040219571 213282456 /nfs/dbraw/zinc/28/24/56/213282456.db2.gz FRTJPPNXUSAOMU-UHFFFAOYSA-N 0 0 327.472 4.097 10 0 EIAERN Cc1cc(SCCC(=O)Nc2ccc(Cl)cc2Cl)ncn1 ZINC000040171164 213280054 /nfs/dbraw/zinc/28/00/54/213280054.db2.gz UUUKNDQDMIEVKD-UHFFFAOYSA-N 0 0 342.251 4.213 10 0 EIAERN CCCCCn1c(CCNC(=O)C(CC)CC)nc2ccccc21 ZINC000040198081 213281050 /nfs/dbraw/zinc/28/10/50/213281050.db2.gz DFVUEESXRYRKEA-UHFFFAOYSA-N 0 0 329.488 4.321 10 0 EIAERN CC(C)c1c(C(=O)Nc2ccccc2)nnn1-c1ccc(Cl)cc1 ZINC000040179989 213281087 /nfs/dbraw/zinc/28/10/87/213281087.db2.gz OFSDWTSIAFWFLX-UHFFFAOYSA-N 0 0 340.814 4.296 10 0 EIAERN COc1ccc(CC(=O)Nc2cc(C)nc3c(C)cc(C)cc23)cc1 ZINC000040177042 213279287 /nfs/dbraw/zinc/27/92/87/213279287.db2.gz MOOZCRFHGYIBQH-UHFFFAOYSA-N 0 0 334.419 4.350 10 0 EIAERN Cc1nnc(-c2ccccc2NC(=O)[C@H]2C[C@@H]2c2cccc(C)c2)o1 ZINC000069559114 215471104 /nfs/dbraw/zinc/47/11/04/215471104.db2.gz VNMOMDOKZSZVGQ-SJORKVTESA-N 0 0 333.391 4.096 10 0 EIAERN CC(=O)N(Cc1ccco1)Cc1cc2ccc(C)cc2nc1Cl ZINC000038804222 213226829 /nfs/dbraw/zinc/22/68/29/213226829.db2.gz VXJNSUHQBJCKKF-UHFFFAOYSA-N 0 0 328.799 4.338 10 0 EIAERN C[C@@H](c1cccc(Br)c1)N1CCc2c(N)cccc2C1 ZINC000038032499 213193947 /nfs/dbraw/zinc/19/39/47/213193947.db2.gz XMZDAXDMLNRSPP-LBPRGKRZSA-N 0 0 331.257 4.151 10 0 EIAERN CCc1c(C)nc(-c2cc(Cl)c3c(c2)OCCO3)nc1Cl ZINC000038004064 213187918 /nfs/dbraw/zinc/18/79/18/213187918.db2.gz CUMMYCCOXXOMKP-UHFFFAOYSA-N 0 0 325.195 4.092 10 0 EIAERN C[C@@H](Nc1ccc(N(C)C)nc1)c1ccc(Br)s1 ZINC000038002668 213187533 /nfs/dbraw/zinc/18/75/33/213187533.db2.gz WDCDFWBYACWAMG-SECBINFHSA-N 0 0 326.263 4.145 10 0 EIAERN C[C@H](C1CC1)N(CC(F)(F)F)C(=O)c1nc(Cl)ccc1Cl ZINC000037980469 213180755 /nfs/dbraw/zinc/18/07/55/213180755.db2.gz OISNHPDPSJTQGX-SSDOTTSWSA-N 0 0 341.160 4.191 10 0 EIAERN Nc1ccc(-c2nccn2Cc2ccc(F)c(Br)c2)cc1 ZINC000037974206 213178949 /nfs/dbraw/zinc/17/89/49/213178949.db2.gz DBHCRFNLLMCEFX-UHFFFAOYSA-N 0 0 346.203 4.082 10 0 EIAERN C[C@@H](NC(=O)c1cc(Br)ccc1Cl)c1ccco1 ZINC000037977078 213179941 /nfs/dbraw/zinc/17/99/41/213179941.db2.gz SBAMEHNQNRWWQE-MRVPVSSYSA-N 0 0 328.593 4.187 10 0 EIAERN Cc1ccc(CN(C(=O)c2csc(Br)c2)C(C)C)o1 ZINC000037845603 213170291 /nfs/dbraw/zinc/17/02/91/213170291.db2.gz DUAOYBCKZRKXNW-UHFFFAOYSA-N 0 0 342.258 4.463 10 0 EIAERN CCCn1cc(N[C@H](C)c2sccc2Br)ccc1=O ZINC000037774779 213165904 /nfs/dbraw/zinc/16/59/04/213165904.db2.gz LIWFFJHGPNNFNK-SNVBAGLBSA-N 0 0 341.274 4.255 10 0 EIAERN O[C@@H](Cc1ccc(Cl)cc1)Cc1cccc(Br)c1 ZINC000037532650 213154306 /nfs/dbraw/zinc/15/43/06/213154306.db2.gz COIFMDFXSMELAN-HNNXBMFYSA-N 0 0 325.633 4.249 10 0 EIAERN Cc1ccc(O)c(C(=O)Nc2ccc(Br)cc2Cl)c1 ZINC000037389453 213143638 /nfs/dbraw/zinc/14/36/38/213143638.db2.gz LFZSYMJHAAVBDB-UHFFFAOYSA-N 0 0 340.604 4.369 10 0 EIAERN Cc1c(C(=O)Oc2cccc(C)c2)nnn1-c1cc(Cl)ccc1C ZINC000036639114 213106111 /nfs/dbraw/zinc/10/61/11/213106111.db2.gz AEVUMHGABPKPNS-UHFFFAOYSA-N 0 0 341.798 4.065 10 0 EIAERN Cc1cc(C)cc(-n2nc(-c3ccc(Br)o3)cc2N)c1 ZINC000035778595 213048483 /nfs/dbraw/zinc/04/84/83/213048483.db2.gz SEHWETLNGKZLOL-UHFFFAOYSA-N 0 0 332.201 4.094 10 0 EIAERN COc1ccc(/C=C2/Sc3nnc(C)n3N=C2C)c2ccccc12 ZINC000035667051 213043641 /nfs/dbraw/zinc/04/36/41/213043641.db2.gz VCDXGNXWVVXIFP-LICLKQGHSA-N 0 0 336.420 4.119 10 0 EIAERN C[C@H](O)c1cccc(OCc2ccc(Br)cc2F)c1 ZINC000035627508 213043672 /nfs/dbraw/zinc/04/36/72/213043672.db2.gz MJMJRAMXOGTJEI-JTQLQIEISA-N 0 0 325.177 4.221 10 0 EIAERN CCN[C@@H](c1cc(Br)ccc1OCC)C(F)(F)F ZINC000035571148 213038748 /nfs/dbraw/zinc/03/87/48/213038748.db2.gz FKOGTLPSTNTTNH-NSHDSACASA-N 0 0 326.156 4.061 10 0 EIAERN CCN[C@H](c1ccco1)c1cc(Cl)cc(Br)c1OC ZINC000035509675 213034225 /nfs/dbraw/zinc/03/42/25/213034225.db2.gz QVWIAVDSKAMRET-ZDUSSCGKSA-N 0 0 344.636 4.403 10 0 EIAERN Clc1ccccc1NCc1cc2c(cc1Br)OCO2 ZINC000035116423 213009458 /nfs/dbraw/zinc/00/94/58/213009458.db2.gz BNEWFXANXWEFSW-UHFFFAOYSA-N 0 0 340.604 4.443 10 0 EIAERN Clc1ccc(NCc2cc3c(cc2Br)OCO3)cc1 ZINC000035116480 213009779 /nfs/dbraw/zinc/00/97/79/213009779.db2.gz MCIIAPZXYJQXKV-UHFFFAOYSA-N 0 0 340.604 4.443 10 0 EIAERN Nc1cc(Cl)ccc1OCc1ccc(Br)cc1F ZINC000035056795 213007376 /nfs/dbraw/zinc/00/73/76/213007376.db2.gz XYDYTEHRYBFTAR-UHFFFAOYSA-N 0 0 330.584 4.403 10 0 EIAERN O=C(Cc1ccc2ccccc2n1)c1ccc(Br)s1 ZINC000034940371 213001976 /nfs/dbraw/zinc/00/19/76/213001976.db2.gz YKVLJCXTMYZEGJ-UHFFFAOYSA-N 0 0 332.222 4.484 10 0 EIAERN O=C(Cc1nc2ccccc2o1)c1ccc(Br)cc1F ZINC000034940213 213001839 /nfs/dbraw/zinc/00/18/39/213001839.db2.gz JUEBLSLTCDIYJF-UHFFFAOYSA-N 0 0 334.144 4.155 10 0 EIAERN Cc1sc(NC(=O)/C=C\c2ccc(C(C)C)cc2)c(C(N)=O)c1C ZINC000033660913 212958365 /nfs/dbraw/zinc/95/83/65/212958365.db2.gz YFTMKHASVRAHIW-YFHOEESVSA-N 0 0 342.464 4.239 10 0 EIAERN C[C@](O)(c1cccc(Cl)c1)[C@H](c1ccc(O)cc1)c1ccccn1 ZINC000033605041 212955491 /nfs/dbraw/zinc/95/54/91/212955491.db2.gz AFGHHQYPGGUUDY-UXHICEINSA-N 0 0 339.822 4.480 10 0 EIAERN CCc1ccc(C=CC(=O)Nc2ccc3[nH]c(C)cc(=O)c3c2)cc1 ZINC000032605324 212816647 /nfs/dbraw/zinc/81/66/47/212816647.db2.gz CBRIZMFTYLSEGI-DHZHZOJOSA-N 0 0 332.403 4.051 10 0 EIAERN CCOC(=O)c1cnc2cc(C(F)(F)F)c(Cl)cc2c1N(C)C ZINC000072237273 216075974 /nfs/dbraw/zinc/07/59/74/216075974.db2.gz JCSIRKDWFXXCLM-UHFFFAOYSA-N 0 0 346.736 4.150 10 0 EIAERN CCn1cc(Br)cc1C(=O)Nc1cccc(Cl)c1F ZINC000036860216 213124365 /nfs/dbraw/zinc/12/43/65/213124365.db2.gz ULLQRYFPRUELPE-UHFFFAOYSA-N 0 0 345.599 4.315 10 0 EIAERN CCCCCn1cc(C(=O)c2ccc(OC)cc2)c(=O)c2ccccc21 ZINC000028864833 212641215 /nfs/dbraw/zinc/64/12/15/212641215.db2.gz GJOLPKHBXPLDTR-UHFFFAOYSA-N 0 0 349.430 4.431 10 0 EIAERN CC1=NN(c2ccccc2)C(=O)[C@@]12O[C@H]2c1ccc(Cl)cc1Cl ZINC000000152917 209456947 /nfs/dbraw/zinc/45/69/47/209456947.db2.gz SZTXBSVQOKSIKW-DOTOQJQBSA-N 0 0 347.201 4.226 10 0 EIAERN CC(C)Cn1c(Cc2ccccc2)nc2c1c1ccccc1nc2N ZINC000028473590 212620288 /nfs/dbraw/zinc/62/02/88/212620288.db2.gz FPDFOFSQEVGKSO-UHFFFAOYSA-N 0 0 330.435 4.414 10 0 EIAERN O=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccc(F)cc2)[nH]c1=O ZINC000072450927 216238581 /nfs/dbraw/zinc/23/85/81/216238581.db2.gz DYUUSBNPMNTGCJ-UHFFFAOYSA-N 0 0 342.757 4.087 10 0 EIAERN Cc1ccc(-c2ccnc3nc(NC4CCCCC4)[nH]c(=O)c23)cc1 ZINC000072440361 216234508 /nfs/dbraw/zinc/23/45/08/216234508.db2.gz QHBJUPPWGORGJW-UHFFFAOYSA-N 0 0 334.423 4.038 10 0 EIAERN Cc1ccccc1Nc1nc2nccc(-c3ccc(F)cc3)c2c(=O)[nH]1 ZINC000072440673 216235182 /nfs/dbraw/zinc/23/51/82/216235182.db2.gz YMTRBINMBQMMNL-UHFFFAOYSA-N 0 0 346.365 4.176 10 0 EIAERN COCc1nn2c(ncc3c2CCCCC3)c1-c1ccc(Cl)cc1 ZINC000072451693 216240130 /nfs/dbraw/zinc/24/01/30/216240130.db2.gz NQVYQRQBYXCIAW-UHFFFAOYSA-N 0 0 341.842 4.465 10 0 EIAERN Cc1nn(C)cc1-c1ccnc(Nc2ccc(Cl)cc2Cl)n1 ZINC000072462141 216244063 /nfs/dbraw/zinc/24/40/63/216244063.db2.gz VUMLQNXYQGYQIN-UHFFFAOYSA-N 0 0 334.210 4.236 10 0 EIAERN C[C@H](Nc1ccc(-n2nccn2)cc1)c1ccc(Br)s1 ZINC000038003143 213187169 /nfs/dbraw/zinc/18/71/69/213187169.db2.gz NREILVFJHLJJSG-JTQLQIEISA-N 0 0 349.257 4.264 10 0 EIAERN C[Si](C)(C)CCOCn1ccc2c1nccc2Br ZINC000199781964 241039847 /nfs/dbraw/zinc/03/98/47/241039847.db2.gz DRANOGPOHXHUQP-UHFFFAOYSA-N 0 0 327.298 4.111 10 0 EIAERN Cn1c2ccccc2c(I)c1-c1ccccc1 ZINC000021995104 212269084 /nfs/dbraw/zinc/26/90/84/212269084.db2.gz VBROADWRHTXRJT-UHFFFAOYSA-N 0 0 333.172 4.450 10 0 EIAERN COC(=O)[C@@H](C)CCC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 ZINC000021987973 212268918 /nfs/dbraw/zinc/26/89/18/212268918.db2.gz IVNBWLOUAJYGFJ-FKIZINRSSA-N 0 0 334.456 4.381 10 0 EIAERN Cc1cc(C)cc(NC(=O)[C@@H](NC(=O)c2ccccc2C)C(C)C)c1 ZINC000021873851 212257781 /nfs/dbraw/zinc/25/77/81/212257781.db2.gz ZJXSTDGIJMHKRM-IBGZPJMESA-N 0 0 338.451 4.005 10 0 EIAERN COc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1N ZINC000226365450 242100657 /nfs/dbraw/zinc/10/06/57/242100657.db2.gz MQIGCBAPIQETQM-UHFFFAOYSA-N 0 0 342.782 4.443 10 0 EIAERN Nc1cc(NC(=O)c2cccc3ccccc32)ccc1N1CCCC1 ZINC000226263244 242092085 /nfs/dbraw/zinc/09/20/85/242092085.db2.gz BBPUBDMCCUTIDR-UHFFFAOYSA-N 0 0 331.419 4.275 10 0 EIAERN C[C@@H]1CCCCN1c1ccc(N)cc1NC(=O)c1cccc(F)c1 ZINC000226254804 242093215 /nfs/dbraw/zinc/09/32/15/242093215.db2.gz VHFAJKKAPKKLFR-CYBMUJFWSA-N 0 0 327.403 4.039 10 0 EIAERN CCN(C(=O)C(F)(F)F)c1ccc2oc(-c3ccccc3)nc2c1 ZINC000226281959 242094900 /nfs/dbraw/zinc/09/49/00/242094900.db2.gz GTLOEXIZXNNZDM-UHFFFAOYSA-N 0 0 334.297 4.410 10 0 EIAERN CCOc1cc(NC(=O)c2cccc(Cl)c2)cc2sc(N)nc21 ZINC000226309963 242095526 /nfs/dbraw/zinc/09/55/26/242095526.db2.gz SGIYTEYSKBRKGA-UHFFFAOYSA-N 0 0 347.827 4.183 10 0 EIAERN CN(C(=O)c1ccc(-c2ccc(N)cc2Cl)o1)c1ccccc1 ZINC000226303943 242096025 /nfs/dbraw/zinc/09/60/25/242096025.db2.gz RARQRVSFPXSPLN-UHFFFAOYSA-N 0 0 326.783 4.459 10 0 EIAERN Oc1ccccc1C1=N[C@H](c2ccc(F)cc2)N[C@@H](c2cccnc2)C1 ZINC000021365593 212223522 /nfs/dbraw/zinc/22/35/22/212223522.db2.gz VAMQWRKAMNDGGA-WIYYLYMNSA-N 0 0 347.393 4.149 10 0 EIAERN Cc1ccc(Nc2c3[nH]cccc-3c(=O)n2Cc2ccccc2)c(C)c1 ZINC000021107675 212207466 /nfs/dbraw/zinc/20/74/66/212207466.db2.gz JAPGAGKSEZJAED-OAQYLSRUSA-N 0 0 343.430 4.465 10 0 EIAERN CCC[C@@H](C)C(=O)Nc1cccc(C(=O)Nc2cccc(O)c2)c1 ZINC000021141625 212211476 /nfs/dbraw/zinc/21/14/76/212211476.db2.gz NEXGLFJLPLTDKX-CYBMUJFWSA-N 0 0 326.396 4.019 10 0 EIAERN O=C1S/C(=C\c2ccccc2F)C(=O)N1Cc1ccc(F)cc1 ZINC000020494453 212140256 /nfs/dbraw/zinc/14/02/56/212140256.db2.gz VSRQDZFZDGIJPC-DHDCSXOGSA-N 0 0 331.343 4.201 10 0 EIAERN COc1ccc2oc([C@@H](N)c3ccc(Br)cc3)cc2c1 ZINC000020389630 212124241 /nfs/dbraw/zinc/12/42/41/212124241.db2.gz WHUOPIZJTYCVGC-INIZCTEOSA-N 0 0 332.197 4.252 10 0 EIAERN Cc1cc(=O)oc2cc(Oc3ccc(Br)cc3N)ccc12 ZINC000019845743 212075278 /nfs/dbraw/zinc/07/52/78/212075278.db2.gz IBRIPSWTFAFLRS-UHFFFAOYSA-N 0 0 346.180 4.238 10 0 EIAERN Cc1nc(N)sc1SCc1cc(Br)ccc1F ZINC000019483966 212032384 /nfs/dbraw/zinc/03/23/84/212032384.db2.gz UVKOEAMRXOPAMD-UHFFFAOYSA-N 0 0 333.251 4.228 10 0 EIAERN CC(C)c1n[nH]c(=S)n1[C@@H](C)c1ccc(Br)cc1 ZINC000049526394 214014338 /nfs/dbraw/zinc/01/43/38/214014338.db2.gz JWJGMCUMDDKPRE-VIFPVBQESA-N 0 0 326.263 4.436 10 0 EIAERN CC(C)[C@@H](Nc1ncc(Br)cc1N)c1cccs1 ZINC000049555154 214018382 /nfs/dbraw/zinc/01/83/82/214018382.db2.gz UXGSWLHCBOZIJY-GFCCVEGCSA-N 0 0 326.263 4.297 10 0 EIAERN Cc1ccc(NC(=O)c2cc(Cl)ccc2N)c(Br)c1 ZINC000019270535 212010647 /nfs/dbraw/zinc/01/06/47/212010647.db2.gz ZMBWABJVOFSERX-UHFFFAOYSA-N 0 0 339.620 4.245 10 0 EIAERN CCCCCNC(=S)N(Cc1cccnc1)C[C@H]1CC=CCC1 ZINC000017068148 211948961 /nfs/dbraw/zinc/94/89/61/211948961.db2.gz LNNNOOLHQRSHEG-KRWDZBQOSA-N 0 0 331.529 4.305 10 0 EIAERN CCOc1ccccc1C(=O)N(C)CC12CC3CC(CC(C3)C1)C2 ZINC000016790342 211935424 /nfs/dbraw/zinc/93/54/24/211935424.db2.gz BJHJKETYBXAWGR-UHFFFAOYSA-N 0 0 327.468 4.374 10 0 EIAERN Cc1ccc([C@H](C)NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)o1 ZINC000078953697 217157294 /nfs/dbraw/zinc/15/72/94/217157294.db2.gz ZSQAROLADKPZSW-LBPRGKRZSA-N 0 0 341.386 4.021 10 0 EIAERN Cc1cccc(OC(=O)COc2c(C)cc(Br)cc2C)c1 ZINC000014778173 211762418 /nfs/dbraw/zinc/76/24/18/211762418.db2.gz YTMJLJVDFNLKLG-UHFFFAOYSA-N 0 0 349.224 4.359 10 0 EIAERN C/N=c1\scc(-c2c3ccccc3n(C)c2-c2ccccc2)n1C ZINC000012563853 211411996 /nfs/dbraw/zinc/41/19/96/211411996.db2.gz ANLXWJBUFSKFHY-MRCUWXFGSA-N 0 0 333.460 4.443 10 0 EIAERN COc1ccccc1-c1cc(-c2cccs2)c2c(N)ncnc2n1 ZINC000009694542 211116640 /nfs/dbraw/zinc/11/66/40/211116640.db2.gz DAAOWEUNCQFWDY-UHFFFAOYSA-N 0 0 334.404 4.011 10 0 EIAERN CSc1nnc(S[C@H](C)C(=O)c2cccc(Cl)c2)s1 ZINC000095080858 218274979 /nfs/dbraw/zinc/27/49/79/218274979.db2.gz JSQQHYLFVGECNC-SSDOTTSWSA-N 0 0 330.887 4.277 10 0 EIAERN CC(C)(C)OC(=O)N1CCC[C@H](Oc2nc3ccccc3s2)C1 ZINC000095084504 218276591 /nfs/dbraw/zinc/27/65/91/218276591.db2.gz CKWZEYQCMLRPIF-LBPRGKRZSA-N 0 0 334.441 4.075 10 0 EIAERN CC(C)NS(=O)(=O)[C@@H](C)c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000095088520 218278329 /nfs/dbraw/zinc/27/83/29/218278329.db2.gz XTCSPCHMGFGYAE-AWEZNQCLSA-N 0 0 337.529 4.424 10 0 EIAERN C[C@H](OC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1nccs1 ZINC000095089353 218279116 /nfs/dbraw/zinc/27/91/16/218279116.db2.gz PKIJQMWPZSCRPS-STQMWFEESA-N 0 0 326.462 4.010 10 0 EIAERN CCOC(=O)c1cc(C(C)C)n(-c2ccc(C(F)(F)F)cc2)n1 ZINC000008700416 210981796 /nfs/dbraw/zinc/98/17/96/210981796.db2.gz QUJUSQOAGHOTFE-UHFFFAOYSA-N 0 0 326.318 4.191 10 0 EIAERN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1F)c1cccc(Cl)c1 ZINC000007305285 210781982 /nfs/dbraw/zinc/78/19/82/210781982.db2.gz VTJPYSWLZRYNRH-VIFPVBQESA-N 0 0 348.226 4.172 10 0 EIAERN Cc1ccc(CSc2nnc([C@H](N)Cc3ccccc3)o2)cc1C ZINC000040173889 258003771 /nfs/dbraw/zinc/00/37/71/258003771.db2.gz LHJGWDUJNPWUQX-QGZVFWFLSA-N 0 0 339.464 4.221 10 0 EIAERN Nc1ccc(Br)cc1C(=O)Nc1cc(Cl)ccc1F ZINC000123694802 222317464 /nfs/dbraw/zinc/31/74/64/222317464.db2.gz RABHJMMLWMCGLU-UHFFFAOYSA-N 0 0 343.583 4.076 10 0 EIAERN C[C@H](NCc1cnn(C(C)(C)C)c1)c1ccccc1Br ZINC000037276882 525481498 /nfs/dbraw/zinc/48/14/98/525481498.db2.gz HPNTUHFNGHEUAU-LBPRGKRZSA-N 0 0 336.277 4.251 10 0 EIAERN CC(C)n1nc(-c2ccccc2)c2c1CCN(C(=O)c1ccccc1)C2 ZINC000211646266 535115808 /nfs/dbraw/zinc/11/58/08/535115808.db2.gz NZLAKCWYEXLKMI-UHFFFAOYSA-N 0 0 345.446 4.330 10 0 EIAERN CCNc1cc2nc(-c3cc(OC)c(OC)c(OC)c3)oc2c(C)c1 ZINC000226283626 535522310 /nfs/dbraw/zinc/52/23/10/535522310.db2.gz SILAHPHPXCEGLV-UHFFFAOYSA-N 0 0 342.395 4.261 10 0 EIAERN CC(C)(C)OC(=O)N1CC=C(c2cnc(F)c(C(F)(F)F)c2)CC1 ZINC000584881433 563879191 /nfs/dbraw/zinc/87/91/91/563879191.db2.gz UGGXCBPYOCSOBI-UHFFFAOYSA-N 0 0 346.324 4.264 10 0 EIAERN C[C@H]1CN(CC(=O)Nc2cccc(Cl)c2)c2ccccc2S1 ZINC000033059182 563950148 /nfs/dbraw/zinc/95/01/48/563950148.db2.gz JWVHVTGXLHXMTM-LBPRGKRZSA-N 0 0 332.856 4.279 10 0 EIAERN Cc1cccnc1-n1nc(C2CC2)nc1-c1cnc2ccccc2c1 ZINC000065489561 563961490 /nfs/dbraw/zinc/96/14/90/563961490.db2.gz QWHDIKBGSWPDLW-UHFFFAOYSA-N 0 0 327.391 4.063 10 0 EIAERN COc1ccc2c(c1)nccc2Oc1ccc(Br)nc1 ZINC000082046945 563971952 /nfs/dbraw/zinc/97/19/52/563971952.db2.gz GQYBZLQCLWYCLS-UHFFFAOYSA-N 0 0 331.169 4.193 10 0 EIAERN FC(F)(F)CNc1ccc(Br)c(Br)c1 ZINC000725243343 563975152 /nfs/dbraw/zinc/97/51/52/563975152.db2.gz YFKATIJWOVEXLA-UHFFFAOYSA-N 0 0 332.945 4.186 10 0 EIAERN CC(C)(C)OC(=O)/C=C/c1ccc(OC(F)F)cc1OC(F)F ZINC000725273855 563988796 /nfs/dbraw/zinc/98/87/96/563988796.db2.gz NERMUJGBPILBAO-FNORWQNLSA-N 0 0 336.281 4.244 10 0 EIAERN Cc1nc(COc2cccc(/C=C/C(=O)OC(C)(C)C)c2)cs1 ZINC000725273899 563988804 /nfs/dbraw/zinc/98/88/04/563988804.db2.gz RCRWMBICRQQEFT-CMDGGOBGSA-N 0 0 331.437 4.385 10 0 EIAERN CC(C)n1c(=O)oc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21 ZINC000046010482 564029116 /nfs/dbraw/zinc/02/91/16/564029116.db2.gz UXTFQZKUALSSSC-UHFFFAOYSA-N 0 0 345.786 4.473 10 0 EIAERN CCc1noc2ncc(C(=O)O[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)cc12 ZINC000170621279 564110176 /nfs/dbraw/zinc/11/01/76/564110176.db2.gz PEZMBXRRRCDHTD-GZBFAFLISA-N 0 0 328.412 4.301 10 0 EIAERN C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc(F)cc2)cc1N ZINC000226266472 564117228 /nfs/dbraw/zinc/11/72/28/564117228.db2.gz QZXUPRZKHVSHRK-ZDUSSCGKSA-N 0 0 327.403 4.039 10 0 EIAERN C[C@@H]1CCCCN1c1ccc(NC(=O)c2cccc(F)c2)cc1N ZINC000226266438 564117250 /nfs/dbraw/zinc/11/72/50/564117250.db2.gz RUCQVYCCMYYPDY-CYBMUJFWSA-N 0 0 327.403 4.039 10 0 EIAERN CCc1c(NCc2nccn2CC)noc1-c1ccc(Cl)s1 ZINC000095990319 564144091 /nfs/dbraw/zinc/14/40/91/564144091.db2.gz PXZSRZBPWDAHKJ-UHFFFAOYSA-N 0 0 336.848 4.447 10 0 EIAERN C[C@@H](CCNC(=O)OC(C)(C)C)C(=O)CCCOCc1ccccc1 ZINC000406014574 564177622 /nfs/dbraw/zinc/17/76/22/564177622.db2.gz BXORZGGIHGTPHR-INIZCTEOSA-N 0 0 349.471 4.103 10 0 EIAERN C[C@H](CCC(=O)CCCOCc1ccccc1)NC(=O)OC(C)(C)C ZINC000405842302 564177634 /nfs/dbraw/zinc/17/76/34/564177634.db2.gz XWVHZMRDZMGTPB-MRXNPFEDSA-N 0 0 349.471 4.246 10 0 EIAERN CC1=CC(C)(C)N(C)c2cc3c(cc21)c(C(F)(F)F)cc(=O)n3C ZINC000013778373 581093178 /nfs/dbraw/zinc/09/31/78/581093178.db2.gz FYCXKGHEYHXTOX-UHFFFAOYSA-N 0 0 336.357 4.189 10 0 EIAERN COc1c(F)cc(NC(=O)N2CC=C(c3ccccc3)CC2)cc1F ZINC000056717211 1032091467 /nfs/dbraw/zinc/09/14/67/1032091467.db2.gz ZTRXIKXSIURRPB-UHFFFAOYSA-N 0 0 344.361 4.295 10 0 EIAERN COc1ccc(NC(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@H]2C)cc1 ZINC000120804559 1032445904 /nfs/dbraw/zinc/44/59/04/1032445904.db2.gz SZPMRVVOACRACC-ZBFHGGJFSA-N 0 0 340.423 4.114 10 0 EIAERN O=C(c1coc(-c2ccccc2)n1)N1CC=C(c2cccs2)CC1 ZINC000120987653 1032483273 /nfs/dbraw/zinc/48/32/73/1032483273.db2.gz XWKWPMBJQXMPGI-UHFFFAOYSA-N 0 0 336.416 4.333 10 0 EIAERN COc1ccc(Br)c(CN[C@H]2CCOc3ccccc32)c1 ZINC000087788135 1022146737 /nfs/dbraw/zinc/14/67/37/1022146737.db2.gz VICPRIZOCTVFSZ-INIZCTEOSA-N 0 0 348.240 4.071 10 0 EIAERN Cc1ccccc1[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)C(C)C ZINC000124387259 1026812562 /nfs/dbraw/zinc/81/25/62/1026812562.db2.gz NFOMVXQHNMLDPI-YFVAEKQCSA-N 0 0 344.499 4.029 10 0 EIAERN C[C@H](c1ccco1)N(C)C(=O)CCc1ncc(-c2ccc(F)cc2)o1 ZINC000074521009 1027005564 /nfs/dbraw/zinc/00/55/64/1027005564.db2.gz BLFLNQSUASYWKZ-CYBMUJFWSA-N 0 0 342.370 4.226 10 0 EIAERN C[C@@H](NC(=O)N1CCC(c2c[nH]c3ccccc32)CC1)c1ccncc1 ZINC000075531615 1027043488 /nfs/dbraw/zinc/04/34/88/1027043488.db2.gz FDPOQZYRWUUMRX-OAHLLOKOSA-N 0 0 348.450 4.213 10 0 EIAERN Cc1c2cc(Cl)ccc2oc1C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113896796 1027837529 /nfs/dbraw/zinc/83/75/29/1027837529.db2.gz JKFBGWBDMQBOIZ-HNNXBMFYSA-N 0 0 343.814 4.485 10 0 EIAERN CO[C@@H](C)c1cccc(NC(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000114813911 1027838645 /nfs/dbraw/zinc/83/86/45/1027838645.db2.gz NBRIZWOHVKHUOY-ZFWWWQNUSA-N 0 0 345.468 4.262 10 0 EIAERN CCOc1ccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)cc1F ZINC000114811059 1027839076 /nfs/dbraw/zinc/83/90/76/1027839076.db2.gz ABGCBNAMDJCKBU-GFCCVEGCSA-N 0 0 349.431 4.092 10 0 EIAERN Cc1cc([C@H](C)NC(=O)N2CCC[C@H](c3nccs3)C2)c(C)o1 ZINC000114826642 1027839493 /nfs/dbraw/zinc/83/94/93/1027839493.db2.gz FXAAQDXAZXMPRW-JSGCOSHPSA-N 0 0 333.457 4.003 10 0 EIAERN COc1ccc(OC)c(NC(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000118008053 1031340732 /nfs/dbraw/zinc/34/07/32/1031340732.db2.gz ZAMCCCDKLOKKPW-UHFFFAOYSA-N 0 0 344.436 4.087 10 0 EIAERN CC(C)(C)CC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113219715 1031357992 /nfs/dbraw/zinc/35/79/92/1031357992.db2.gz HWORJPZMODWLJO-INIZCTEOSA-N 0 0 325.456 4.219 10 0 EIAERN O=C(N[C@H](c1ccccc1)C1CC1)N1CCC[C@H](c2nccs2)C1 ZINC000114820885 1031373241 /nfs/dbraw/zinc/37/32/41/1031373241.db2.gz QEASEZAXWUNNMY-DLBZAZTESA-N 0 0 341.480 4.183 10 0 EIAERN COCc1cccc(NC(=O)N2CC=C(c3ccccc3F)CC2)c1 ZINC000120900298 1031435917 /nfs/dbraw/zinc/43/59/17/1031435917.db2.gz HTXSDSPRJUMUMB-UHFFFAOYSA-N 0 0 340.398 4.293 10 0 EIAERN C[C@H]1c2ccccc2O[C@H]1C(=O)OCc1cnc(-c2cccs2)o1 ZINC000124703089 1031547737 /nfs/dbraw/zinc/54/77/37/1031547737.db2.gz WFDZCOAIANRYQT-MEDUHNTESA-N 0 0 341.388 4.011 10 0 EIAERN COc1ccc(F)c(NC(=O)N2CC=C(c3ccccc3F)CC2)c1 ZINC000125834244 1031617548 /nfs/dbraw/zinc/61/75/48/1031617548.db2.gz SYWRCYHBTRDHFF-UHFFFAOYSA-N 0 0 344.361 4.295 10 0 EIAERN Cc1cccc(C)c1NC(=O)NC1CCN(c2cccs2)CC1 ZINC000129172269 1031782492 /nfs/dbraw/zinc/78/24/92/1031782492.db2.gz BFSGFCVWMKSRLU-UHFFFAOYSA-N 0 0 329.469 4.155 10 0 EIAERN Cc1ccc(-c2ccncc2)cc1NC(=O)C[C@H](O)c1ccccc1 ZINC000091437261 1039370526 /nfs/dbraw/zinc/37/05/26/1039370526.db2.gz PITQXEGZVZHTDF-FQEVSTJZSA-N 0 0 332.403 4.119 10 0 EIAERN Cc1ccc([C@H]2CN(Cc3ccc(CSC(F)F)o3)CCO2)o1 ZINC000093865024 1039761730 /nfs/dbraw/zinc/76/17/30/1039761730.db2.gz ZPRGGHIPGLMESJ-OAHLLOKOSA-N 0 0 343.395 4.210 10 0 EIAERN C[C@@H]1CCN(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)C[C@@H](C)C1 ZINC000093352384 1042844159 /nfs/dbraw/zinc/84/41/59/1042844159.db2.gz MQVKIQUQXSRWSO-MNOVXSKESA-N 0 0 336.386 4.400 10 0 EIAERN O=C(c1ccc(F)cc1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113219148 1043297012 /nfs/dbraw/zinc/29/70/12/1043297012.db2.gz LSKQJBFJJNGMNQ-QGZVFWFLSA-N 0 0 349.409 4.236 10 0 EIAERN C[C@]1(C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)CC1(Cl)Cl ZINC000073558484 1045806464 /nfs/dbraw/zinc/80/64/64/1045806464.db2.gz QRUNBRRWHQKDEP-QGZVFWFLSA-N 0 0 349.261 4.368 10 0 EIAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)CCc3ccsc3)C2)cc1 ZINC000078188366 1046009738 /nfs/dbraw/zinc/00/97/38/1046009738.db2.gz WRFJQIVYQIQRQV-PBHICJAKSA-N 0 0 329.465 4.094 10 0 EIAERN COc1ccc(-c2nc(C(C)(C)C)sc2N)cc1Br ZINC000050309304 214052932 /nfs/dbraw/zinc/05/29/32/214052932.db2.gz UAYGVPZVMAMYGW-UHFFFAOYSA-N 0 0 341.274 4.461 10 0 EIAERN C[C@@H](O)c1cc(Br)ccc1OCc1cccc(F)c1 ZINC000052068043 214114624 /nfs/dbraw/zinc/11/46/24/214114624.db2.gz KJTHQEGIJUNXFD-SNVBAGLBSA-N 0 0 325.177 4.221 10 0 EIAERN Cc1ccc(NC2(C(=O)N(C)[C@@H](C)c3nccs3)CCCC2)cc1 ZINC000055271826 214299341 /nfs/dbraw/zinc/29/93/41/214299341.db2.gz ZYFIJMCNCQZEQM-HNNXBMFYSA-N 0 0 343.496 4.396 10 0 EIAERN Cc1ccc([C@H](C)NC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)o1 ZINC000056799070 214388792 /nfs/dbraw/zinc/38/87/92/214388792.db2.gz BLMVVTAURTZJKS-SUMWQHHRSA-N 0 0 348.830 4.086 10 0 EIAERN COc1ccc(CSc2sc(N)nc2C)cc1Br ZINC000049596390 214021329 /nfs/dbraw/zinc/02/13/29/214021329.db2.gz JCCRVGJRUDZXHQ-UHFFFAOYSA-N 0 0 345.287 4.097 10 0 EIAERN O=C(Nc1nc(-c2ccco2)c(-c2ccccn2)s1)c1ccncc1 ZINC000059757210 214623886 /nfs/dbraw/zinc/62/38/86/214623886.db2.gz BEYHTHHGIDPACY-UHFFFAOYSA-N 0 0 348.387 4.112 10 0 EIAERN CCn1cc([C@@H](C)Nc2cc(Br)ccc2Cl)cn1 ZINC000061691036 214671084 /nfs/dbraw/zinc/67/10/84/214671084.db2.gz DSEVMVUAOANDDA-SECBINFHSA-N 0 0 328.641 4.492 10 0 EIAERN Cc1ccc(C[C@H](O)Cc2ccc(Br)s2)cc1C ZINC000061681501 214671320 /nfs/dbraw/zinc/67/13/20/214671320.db2.gz CEMPJYHQPMPKIX-ZDUSSCGKSA-N 0 0 325.271 4.274 10 0 EIAERN Cn1ccc2ncnc(Oc3cccc(C(=O)Nc4ccccc4)c3)c21 ZINC000064453556 214786901 /nfs/dbraw/zinc/78/69/01/214786901.db2.gz SPESUKLLJMFRNX-UHFFFAOYSA-N 0 0 344.374 4.013 10 0 EIAERN CC(C)Cn1cc(CCNC(=O)Nc2ccccc2)c2cccnc21 ZINC000065156668 214834675 /nfs/dbraw/zinc/83/46/75/214834675.db2.gz MWLZICHGEKXNKF-UHFFFAOYSA-N 0 0 336.439 4.057 10 0 EIAERN O=C(COc1ccc(Cl)cc1)c1ccccc1Br ZINC000048102362 213887173 /nfs/dbraw/zinc/88/71/73/213887173.db2.gz MULJNUPBMCXKAJ-UHFFFAOYSA-N 0 0 325.589 4.364 10 0 EIAERN COc1ccccc1/C=C/C=C1/N=C(/C=C/c2ccccc2)OC1=O ZINC000003910729 210091983 /nfs/dbraw/zinc/09/19/83/210091983.db2.gz CVSLAVJHOWSXCC-MDWHRKIJSA-N 0 0 331.371 4.261 10 0 EIAERN O=C1c2ccc(Cl)cc2N(Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000042077430 213478494 /nfs/dbraw/zinc/47/84/94/213478494.db2.gz MOYGLYKQDFJZQO-UHFFFAOYSA-N 0 0 340.593 4.376 10 0 EIAERN NNc1c2cc(Br)cc(Cl)c2nc2c1CCCCC2 ZINC000104003036 219336844 /nfs/dbraw/zinc/33/68/44/219336844.db2.gz MZNWAGASHHLZNL-UHFFFAOYSA-N 0 0 340.652 4.205 10 0 EIAERN Fc1ccc(NCCOc2ccc(Br)cc2)cc1F ZINC000103998949 219337552 /nfs/dbraw/zinc/33/75/52/219337552.db2.gz KIUJYXBNHKCFFF-UHFFFAOYSA-N 0 0 328.156 4.218 10 0 EIAERN CC(C)(C)c1cc(=S)n(Cc2cccc(Br)c2)[nH]1 ZINC000104015565 219339303 /nfs/dbraw/zinc/33/93/03/219339303.db2.gz MJWHXLVLEOJDGV-UHFFFAOYSA-N 0 0 325.275 4.280 10 0 EIAERN C[C@@H]1CC(C)(C)C[C@](CO)(Nc2ccc(Br)cc2)C1 ZINC000104031083 219340192 /nfs/dbraw/zinc/34/01/92/219340192.db2.gz QDDWYNAPRJRFRX-MLGOLLRUSA-N 0 0 326.278 4.438 10 0 EIAERN COc1ccccc1-c1cc(C(F)(F)F)nc(NCc2ccco2)n1 ZINC000002458849 209852975 /nfs/dbraw/zinc/85/29/75/209852975.db2.gz ARCWJYWFAIPVSQ-UHFFFAOYSA-N 0 0 349.312 4.376 10 0 EIAERN C[C@@H]1CCCC[C@@H]1OC(=O)c1cc(Br)cnc1Cl ZINC000104147655 219352753 /nfs/dbraw/zinc/35/27/53/219352753.db2.gz KOTZPCKHLVYKDI-KCJUWKMLSA-N 0 0 332.625 4.233 10 0 EIAERN Cc1nc(Cl)c(C)c(N(C)Cc2cccc(Br)c2)n1 ZINC000104219896 219361594 /nfs/dbraw/zinc/36/15/94/219361594.db2.gz MHKNHBMCLNZNAQ-UHFFFAOYSA-N 0 0 340.652 4.146 10 0 EIAERN CCc1c(Cl)ncnc1N(C)Cc1csc(Br)c1 ZINC000104227949 219363432 /nfs/dbraw/zinc/36/34/32/219363432.db2.gz RSWVNWDNAVUQGV-UHFFFAOYSA-N 0 0 346.681 4.153 10 0 EIAERN COC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(C)=O ZINC000041011214 213408835 /nfs/dbraw/zinc/40/88/35/213408835.db2.gz CAYIAUYVMAYNDZ-UHFFFAOYSA-N 0 0 329.421 4.039 10 0 EIAERN O=Cc1c(Sc2ccccc2Br)nc2sccn12 ZINC000104293952 219371497 /nfs/dbraw/zinc/37/14/97/219371497.db2.gz JEKOQYRNQLDBCB-UHFFFAOYSA-N 0 0 339.239 4.122 10 0 EIAERN Cc1ccc(Oc2ncnc(Nc3cc(F)ccc3F)c2N)cc1C ZINC000040800175 213388680 /nfs/dbraw/zinc/38/86/80/213388680.db2.gz HLQAZCYPMVDYOY-UHFFFAOYSA-N 0 0 342.349 4.490 10 0 EIAERN Cc1ccc(NC(=O)c2cccnc2-c2nc3ccccc3s2)nc1 ZINC000040802860 213388869 /nfs/dbraw/zinc/38/88/69/213388869.db2.gz MWRZELDDMHPAST-UHFFFAOYSA-N 0 0 346.415 4.314 10 0 EIAERN Nc1c(Nc2ccc(F)c(F)c2)ncnc1Nc1ccccc1Cl ZINC000040781354 213385871 /nfs/dbraw/zinc/38/58/71/213385871.db2.gz ZEYREMPSDYXHEX-UHFFFAOYSA-N 0 0 347.756 4.478 10 0 EIAERN Clc1ncccc1N[C@@H]1CCc2cc(Br)ccc2C1 ZINC000104367467 219380229 /nfs/dbraw/zinc/38/02/29/219380229.db2.gz KOLAETKVVGOGDD-CYBMUJFWSA-N 0 0 337.648 4.467 10 0 EIAERN Cc1ccc(Sc2ncnc(Nc3ccc(F)cc3)c2N)cc1 ZINC000040782453 213387139 /nfs/dbraw/zinc/38/71/39/213387139.db2.gz HQAUIMMCNANSCD-UHFFFAOYSA-N 0 0 326.400 4.401 10 0 EIAERN Cc1cc(Oc2ncnc(Nc3ncccc3C)c2N)ccc1Cl ZINC000040758154 213383410 /nfs/dbraw/zinc/38/34/10/213383410.db2.gz FBALZRDBNPEZCQ-UHFFFAOYSA-N 0 0 341.802 4.260 10 0 EIAERN Nc1c(Nc2ccccc2F)ncnc1Nc1cccc2cccnc21 ZINC000040758261 213383147 /nfs/dbraw/zinc/38/31/47/213383147.db2.gz DNHIHMRUNJCYHU-UHFFFAOYSA-N 0 0 346.369 4.233 10 0 EIAERN Nc1c(Nc2ccccc2F)ncnc1Nc1cccc2ncccc21 ZINC000040759266 213382861 /nfs/dbraw/zinc/38/28/61/213382861.db2.gz ARQGVOYHGFDCPT-UHFFFAOYSA-N 0 0 346.369 4.233 10 0 EIAERN Nc1c(Nc2ccccc2F)ncnc1Oc1cccc2cccnc21 ZINC000040752113 213381703 /nfs/dbraw/zinc/38/17/03/213381703.db2.gz AJICFXCMMORHLA-UHFFFAOYSA-N 0 0 347.353 4.282 10 0 EIAERN Cc1cc(Oc2ncnc(N3CCCCCC3)c2N)ccc1Cl ZINC000040725642 213376330 /nfs/dbraw/zinc/37/63/30/213376330.db2.gz DMPUBHLQZYVPNS-UHFFFAOYSA-N 0 0 332.835 4.193 10 0 EIAERN Cc1ccc2cccc(Oc3ncnc(N4CCCCCC4)c3N)c2n1 ZINC000040725415 213376565 /nfs/dbraw/zinc/37/65/65/213376565.db2.gz CQRNHIHIXGYABL-UHFFFAOYSA-N 0 0 349.438 4.088 10 0 EIAERN COc1ccc(Cl)cc1Nc1ncnc(Oc2ccccc2)c1N ZINC000040702531 213372259 /nfs/dbraw/zinc/37/22/59/213372259.db2.gz DMQNYBMZCGZVJC-UHFFFAOYSA-N 0 0 342.786 4.257 10 0 EIAERN COc1ccc(Cl)cc1Nc1ncnc(NC2CCCCC2)c1N ZINC000040702251 213371989 /nfs/dbraw/zinc/37/19/89/213371989.db2.gz NOWIUCUXCPZDGZ-UHFFFAOYSA-N 0 0 347.850 4.209 10 0 EIAERN Cc1cccc(Nc2ncnc(Oc3ccc(C(C)C)cc3)c2N)n1 ZINC000040685345 213369726 /nfs/dbraw/zinc/36/97/26/213369726.db2.gz PUDXDNQTNZKDQT-UHFFFAOYSA-N 0 0 335.411 4.422 10 0 EIAERN Nc1c(Nc2nccs2)ncnc1Oc1cccc2ccccc21 ZINC000040683202 213367661 /nfs/dbraw/zinc/36/76/61/213367661.db2.gz DDVDNPQIAKLBDJ-UHFFFAOYSA-N 0 0 335.392 4.204 10 0 EIAERN COc1ccccc1Oc1ncnc(Oc2cc(C)cc(C)c2)c1N ZINC000040681657 213367750 /nfs/dbraw/zinc/36/77/50/213367750.db2.gz GOFDSYGRIYUMJA-UHFFFAOYSA-N 0 0 337.379 4.269 10 0 EIAERN CC(C)(C)Nc1ncnc(Nc2ccc(C(F)(F)F)cc2)c1N ZINC000040680702 213368547 /nfs/dbraw/zinc/36/85/47/213368547.db2.gz JGTXIMZGMDCPKM-UHFFFAOYSA-N 0 0 325.338 4.032 10 0 EIAERN COc1ccc(Nc2ncnc(Oc3cc(C)cc(C)c3)c2N)cc1 ZINC000040681470 213368562 /nfs/dbraw/zinc/36/85/62/213368562.db2.gz DLMXOKXVWRIZNZ-UHFFFAOYSA-N 0 0 336.395 4.220 10 0 EIAERN CC(C)Oc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1N ZINC000040682729 213368318 /nfs/dbraw/zinc/36/83/18/213368318.db2.gz WJVSXHAYAFSDOE-UHFFFAOYSA-N 0 0 346.740 4.262 10 0 EIAERN O=C(Cn1c2ccccc2nc1C1CC1)Nc1ccc(Cl)cc1 ZINC000040295938 213290246 /nfs/dbraw/zinc/29/02/46/213290246.db2.gz DRRVXTMXGLZSCK-UHFFFAOYSA-N 0 0 325.799 4.206 10 0 EIAERN O=C(Cn1c2ccccc2nc1C1CC1)Nc1ccccc1Cl ZINC000040295910 213289976 /nfs/dbraw/zinc/28/99/76/213289976.db2.gz RBZBKHFYPRRYBO-UHFFFAOYSA-N 0 0 325.799 4.206 10 0 EIAERN Cc1cc2nc(CCCO)n(Cc3c(F)cccc3Cl)c2cc1C ZINC000040310973 213290932 /nfs/dbraw/zinc/29/09/32/213290932.db2.gz QYWPUZHQORHRJY-UHFFFAOYSA-N 0 0 346.833 4.419 10 0 EIAERN Cc1ccc(C(=O)NCc2nc3ccccc3n2CCC(C)C)cc1 ZINC000040276550 213287351 /nfs/dbraw/zinc/28/73/51/213287351.db2.gz FMLCIZJNBKDZDU-UHFFFAOYSA-N 0 0 335.451 4.321 10 0 EIAERN C/C=C\C(=O)NCCCc1nc2ccccc2n1CCCCCC ZINC000040210242 213281575 /nfs/dbraw/zinc/28/15/75/213281575.db2.gz XTEPZWAXFYHSBI-WCIBSUBMSA-N 0 0 327.472 4.242 10 0 EIAERN COc1cc([C@@H]2O[C@@H](c3ccc4c(c3)OCO4)[C@H](C)[C@@H]2C)ccc1O ZINC000095910078 291008407 /nfs/dbraw/zinc/00/84/07/291008407.db2.gz JPDORDSJPIKURD-OCBHBYCGSA-N 0 0 342.391 4.214 10 0 biogenic,in-vitro EIAERN CCc1nnc(NC(=O)c2ccc(Oc3ccc(C)cc3)cc2)s1 ZINC000040179046 213279953 /nfs/dbraw/zinc/27/99/53/213279953.db2.gz PFZUVBGFPATXHC-UHFFFAOYSA-N 0 0 339.420 4.454 10 0 EIAERN Cc1cccc2c(C)cc(SCC(=O)Nc3cccc(O)c3)nc12 ZINC000040167073 213278646 /nfs/dbraw/zinc/27/86/46/213278646.db2.gz UREZLBJODQHASW-UHFFFAOYSA-N 0 0 338.432 4.288 10 0 EIAERN Cc1cc(C)cc(NC(=O)c2cn(C)c3c(Cl)cccc3c2=O)c1 ZINC000039962952 213247057 /nfs/dbraw/zinc/24/70/57/213247057.db2.gz RZKSXANACPIDNH-UHFFFAOYSA-N 0 0 340.810 4.061 10 0 EIAERN Oc1ccc([C@@H]2c3ccc(O)cc3OC[C@@H]2c2ccc(O)cc2)cc1 ZINC000038305367 213207382 /nfs/dbraw/zinc/20/73/82/213207382.db2.gz VXHSDGZMRLGSEJ-TZIWHRDSSA-N 0 0 334.371 4.112 10 0 EIAERN C[C@@H](C(=O)c1ccc(Cl)cc1Cl)n1cc(Br)cn1 ZINC000038054574 213198824 /nfs/dbraw/zinc/19/88/24/213198824.db2.gz XNCNPZJZPWVYBD-ZETCQYMHSA-N 0 0 348.027 4.396 10 0 EIAERN O[C@H](Cc1cccc(Cl)c1)Cc1cccc(Br)c1 ZINC000037532502 213154686 /nfs/dbraw/zinc/15/46/86/213154686.db2.gz UJDUAQZDBMWTRH-HNNXBMFYSA-N 0 0 325.633 4.249 10 0 EIAERN COc1ccc(COc2c(N)cc(Cl)cc2Br)cc1 ZINC000037288447 213138663 /nfs/dbraw/zinc/13/86/63/213138663.db2.gz JJFJUZAARDDSTR-UHFFFAOYSA-N 0 0 342.620 4.272 10 0 EIAERN COc1cc(Br)c(C(=O)C2CCCCC2)cc1OC ZINC000036943344 213126503 /nfs/dbraw/zinc/12/65/03/213126503.db2.gz NBOZIHHVUDAQRD-UHFFFAOYSA-N 0 0 327.218 4.229 10 0 EIAERN CC(C)n1cc(Br)cc1C(=O)Nc1ccc(Cl)cn1 ZINC000036860195 213124853 /nfs/dbraw/zinc/12/48/53/213124853.db2.gz OETBKUUSUJGKKQ-UHFFFAOYSA-N 0 0 342.624 4.132 10 0 EIAERN CCOc1cccc(C=O)c1OCc1ccc(Br)s1 ZINC000036672332 213108499 /nfs/dbraw/zinc/10/84/99/213108499.db2.gz WDIWGVBVMLWHFV-UHFFFAOYSA-N 0 0 341.226 4.301 10 0 EIAERN Cc1c(C(=O)OC2CCCCC2)nnn1-c1ccc(C(C)C)cc1 ZINC000036638982 213106490 /nfs/dbraw/zinc/10/64/90/213106490.db2.gz ADTXBAJCVQMMDJ-UHFFFAOYSA-N 0 0 327.428 4.189 10 0 EIAERN Cc1c(C(=O)Oc2ccc(C)cc2)nnn1-c1cc(Cl)ccc1C ZINC000036639111 213106382 /nfs/dbraw/zinc/10/63/82/213106382.db2.gz ZYDYKMXYLDABAE-UHFFFAOYSA-N 0 0 341.798 4.065 10 0 EIAERN Fc1ccc(OCCOc2ccc(Br)cc2)cc1F ZINC000070133851 215676422 /nfs/dbraw/zinc/67/64/22/215676422.db2.gz NSPCWSKZLGESRR-UHFFFAOYSA-N 0 0 329.140 4.185 10 0 EIAERN COc1cccc(NC(=O)c2cnc3[nH]cc(-c4ccoc4)c3c2)c1 ZINC000036377554 213091948 /nfs/dbraw/zinc/09/19/48/213091948.db2.gz WYRAGADZGQJWMI-UHFFFAOYSA-N 0 0 333.347 4.084 10 0 EIAERN Cc1ccc(-c2cc(CN(C(=O)NC(C)(C)C)C3CC3)no2)cc1C ZINC000036001864 213054139 /nfs/dbraw/zinc/05/41/39/213054139.db2.gz NPGZXSSFGVDKPM-UHFFFAOYSA-N 0 0 341.455 4.431 10 0 EIAERN CCN[C@@H](c1ccco1)c1cc(Cl)cc(Br)c1OC ZINC000035509673 213033542 /nfs/dbraw/zinc/03/35/42/213033542.db2.gz QVWIAVDSKAMRET-CYBMUJFWSA-N 0 0 344.636 4.403 10 0 EIAERN CCn1nc2c3ccccc3n(Cc3ccc(Cl)cc3)cc-2c1=O ZINC000035477548 213031470 /nfs/dbraw/zinc/03/14/70/213031470.db2.gz KMQBHTICCPEBCB-UHFFFAOYSA-N 0 0 337.810 4.024 10 0 EIAERN CC(=O)c1ccc(Oc2ccccc2I)cc1 ZINC000035454458 213029439 /nfs/dbraw/zinc/02/94/39/213029439.db2.gz KMDPKIONKIDBHJ-UHFFFAOYSA-N 0 0 338.144 4.286 10 0 EIAERN Nc1n[nH]c2cccc(-c3ccc(NC(=O)c4ccccc4)cc3)c12 ZINC000035324132 213021622 /nfs/dbraw/zinc/02/16/22/213021622.db2.gz ZBWAOEUPXWDTQS-UHFFFAOYSA-N 0 0 328.375 4.064 10 0 in-vivo EIAERN Brc1ccc(COc2cccc(Br)c2)o1 ZINC000034962274 213002593 /nfs/dbraw/zinc/00/25/93/213002593.db2.gz UWDCTVRRSIGGEZ-UHFFFAOYSA-N 0 0 331.991 4.384 10 0 EIAERN CCc1c(C)sc(NC(=O)/C=C\c2ccccc2Cl)c1C(N)=O ZINC000033314009 212921556 /nfs/dbraw/zinc/92/15/56/212921556.db2.gz SVJKEBBSJMBLKA-HJWRWDBZSA-N 0 0 348.855 4.023 10 0 EIAERN O=C(Nc1cccc(Cl)c1Cl)c1cc(Br)c[nH]1 ZINC000035179573 213013503 /nfs/dbraw/zinc/01/35/03/213013503.db2.gz HXRQFAYGLHUIBK-UHFFFAOYSA-N 0 0 334.000 4.336 10 0 EIAERN CCCN[C@@H](c1ccc(Br)o1)c1ccc(F)cc1F ZINC000035581889 213039156 /nfs/dbraw/zinc/03/91/56/213039156.db2.gz CIVLANVXJFVTCF-CQSZACIVSA-N 0 0 330.172 4.409 10 0 EIAERN Fc1ccc(-c2cn3nc(Br)sc3n2)cc1Cl ZINC000036939139 213125977 /nfs/dbraw/zinc/12/59/77/213125977.db2.gz FVFLEWPYQSTARX-UHFFFAOYSA-N 0 0 332.585 4.013 10 0 EIAERN NC(=S)N1N=C(c2cccc3ccccc32)C[C@@H]1c1cccs1 ZINC000072414016 216205165 /nfs/dbraw/zinc/20/51/65/216205165.db2.gz NKRVQIMJVIAHCS-MRXNPFEDSA-N 0 0 337.473 4.296 10 0 EIAERN Cc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)[nH]c2=O)cc1 ZINC000072450803 216239133 /nfs/dbraw/zinc/23/91/33/216239133.db2.gz ZPKBFLAQKBMQBS-UHFFFAOYSA-N 0 0 338.794 4.256 10 0 EIAERN COc1ccccc1-c1ccnc2nc(-c3ccc(Cl)cc3)nn21 ZINC000072451474 216239430 /nfs/dbraw/zinc/23/94/30/216239430.db2.gz IIGQYEFXSNAWES-UHFFFAOYSA-N 0 0 336.782 4.120 10 0 EIAERN CC(C)(C)NC(=O)c1ccc(-c2ccc(-c3ccccc3)cc2)[nH]c1=O ZINC000072451194 216240113 /nfs/dbraw/zinc/24/01/13/216240113.db2.gz JAABXEOIGASBJA-UHFFFAOYSA-N 0 0 346.430 4.237 10 0 EIAERN Cc1nc(N2CCCCC2)ncc1C(=O)Nc1cccc2ccccc21 ZINC000072464982 216246736 /nfs/dbraw/zinc/24/67/36/216246736.db2.gz YJXVFQAPNFUDBA-UHFFFAOYSA-N 0 0 346.434 4.181 10 0 EIAERN CCOc1ccc(NC(=O)CSc2ccc(Cl)cc2)c(N)c1 ZINC000226359600 242102161 /nfs/dbraw/zinc/10/21/61/242102161.db2.gz MWDQBVSTVQYTII-UHFFFAOYSA-N 0 0 336.844 4.052 10 0 EIAERN Cc1cc(NC(=O)c2cccc(Cl)c2)cc(Br)c1O ZINC000226242859 242091065 /nfs/dbraw/zinc/09/10/65/242091065.db2.gz CRFQMXLUWPPSHG-UHFFFAOYSA-N 0 0 340.604 4.369 10 0 EIAERN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc([C@H](C)O)cc1 ZINC000226273301 242092078 /nfs/dbraw/zinc/09/20/78/242092078.db2.gz NJPLPHDANNQGSG-VIFPVBQESA-N 0 0 340.206 4.308 10 0 EIAERN CCN(CC)c1ccc(NC(=O)c2cccc(OC(C)C)c2)cc1N ZINC000226267889 242092691 /nfs/dbraw/zinc/09/26/91/242092691.db2.gz OGVGPYFIZAIRAI-UHFFFAOYSA-N 0 0 341.455 4.155 10 0 EIAERN CC1CCN(c2ccc(N)cc2NC(=O)c2cccc(Cl)c2)CC1 ZINC000226254946 242093532 /nfs/dbraw/zinc/09/35/32/242093532.db2.gz NUQJISGNZHMJJC-UHFFFAOYSA-N 0 0 343.858 4.411 10 0 EIAERN Nc1ccc(-c2ccc(C(=O)N3CCc4ccccc43)o2)c(Cl)c1 ZINC000226304326 242095909 /nfs/dbraw/zinc/09/59/09/242095909.db2.gz GXXWROKLWYYJCG-UHFFFAOYSA-N 0 0 338.794 4.385 10 0 EIAERN CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000229475581 242165635 /nfs/dbraw/zinc/16/56/35/242165635.db2.gz CWIREUOYRDTFPL-NPSOMJIGSA-N 0 0 348.512 4.067 10 0 EIAERN CCC(=O)Oc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1OC ZINC000021127862 212209520 /nfs/dbraw/zinc/20/95/20/212209520.db2.gz UPXXWDAAKXDLHS-UHFFFAOYSA-N 0 0 341.407 4.188 10 0 EIAERN CCC[C@H](C)C(=O)Nc1ccc(NC(=O)c2ccccc2)c(O)c1 ZINC000021145217 212211575 /nfs/dbraw/zinc/21/15/75/212211575.db2.gz GVHZBOZWYOAUGC-ZDUSSCGKSA-N 0 0 326.396 4.019 10 0 EIAERN CC(=O)Oc1ccccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000021142666 212211076 /nfs/dbraw/zinc/21/10/76/212211076.db2.gz UUBXXTSLMAEGFC-UHFFFAOYSA-N 0 0 347.798 4.061 10 0 EIAERN CCCOc1c(Cl)cc(CNCc2ccccn2)cc1Cl ZINC000020926562 212188007 /nfs/dbraw/zinc/18/80/07/212188007.db2.gz HNTGEOFZLFBHPH-UHFFFAOYSA-N 0 0 325.239 4.467 10 0 EIAERN CCCCC1CCC(C(=O)Nc2cc(OC)c(OC)cc2N)CC1 ZINC000020344690 212121600 /nfs/dbraw/zinc/12/16/00/212121600.db2.gz BJRNPTUDKPRZHG-UHFFFAOYSA-N 0 0 334.460 4.221 10 0 EIAERN Nc1ccc2c(c1)CCCN2Cc1ccc(F)cc1Br ZINC000019875226 212078183 /nfs/dbraw/zinc/07/81/83/212078183.db2.gz DZHKPIFUQSSXJC-UHFFFAOYSA-N 0 0 335.220 4.123 10 0 EIAERN Nc1ccc2c(c1)CCCN2Cc1cc(Br)ccc1F ZINC000019875202 212078226 /nfs/dbraw/zinc/07/82/26/212078226.db2.gz GMSHJEHSXGAYNR-UHFFFAOYSA-N 0 0 335.220 4.123 10 0 EIAERN NC(=S)c1ccc(Oc2ccc(F)cc2Br)cc1 ZINC000019867156 212077843 /nfs/dbraw/zinc/07/78/43/212077843.db2.gz CEHWEZARGLYZOZ-UHFFFAOYSA-N 0 0 326.190 4.015 10 0 EIAERN Cc1cc(NC(=O)c2cc(Cl)ccc2N)ccc1Br ZINC000019803637 212070885 /nfs/dbraw/zinc/07/08/85/212070885.db2.gz UIZYGMZRZGHEBF-UHFFFAOYSA-N 0 0 339.620 4.245 10 0 EIAERN Nc1cc(NC(=O)c2ccc(Br)cc2F)ccc1Cl ZINC000019487539 212032773 /nfs/dbraw/zinc/03/27/73/212032773.db2.gz NPEOANPSTHJPRU-UHFFFAOYSA-N 0 0 343.583 4.076 10 0 EIAERN CCOc1ccccc1C(=O)N[C@@H](C)c1ccccc1Br ZINC000017964591 211976855 /nfs/dbraw/zinc/97/68/55/211976855.db2.gz QSLVDJQJDXEIRZ-LBPRGKRZSA-N 0 0 348.240 4.339 10 0 EIAERN CCCOc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000013456785 211561600 /nfs/dbraw/zinc/56/16/00/211561600.db2.gz HRCUSSCBNKNICF-UHFFFAOYSA-N 0 0 330.424 4.286 10 0 EIAERN CCc1ccccc1Nc1ncnc2sc(C(=O)OC)c(C)c21 ZINC000012084642 211287535 /nfs/dbraw/zinc/28/75/35/211287535.db2.gz ALWLZPFTDRQHHT-UHFFFAOYSA-N 0 0 327.409 4.092 10 0 EIAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1COCc1ccc(Cl)nc1 ZINC000095086672 218277442 /nfs/dbraw/zinc/27/74/42/218277442.db2.gz IVWMPIPBTUWHIG-CQSZACIVSA-N 0 0 340.851 4.041 10 0 EIAERN CCc1nc2c(Br)ccc(Br)c2nc1CC ZINC000095093184 218279816 /nfs/dbraw/zinc/27/98/16/218279816.db2.gz SXPVFRWOXOCNCK-UHFFFAOYSA-N 0 0 344.050 4.280 10 0 EIAERN Cc1ccc(OCCC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1 ZINC000095090476 218280221 /nfs/dbraw/zinc/28/02/21/218280221.db2.gz FTWYVHNRAGXUPN-INIZCTEOSA-N 0 0 334.460 4.196 10 0 EIAERN Cc1cccc(C)c1OCCCn1c2ccccc2nc1C(C)(C)O ZINC000008786006 211007555 /nfs/dbraw/zinc/00/75/55/211007555.db2.gz LYMAVOFDTGDKGP-UHFFFAOYSA-N 0 0 338.451 4.350 10 0 EIAERN COc1ccc2c(Br)cn(C(=O)OC(C)(C)C)c2c1 ZINC000095929803 218450527 /nfs/dbraw/zinc/45/05/27/218450527.db2.gz CSVWNXNEBXGVSG-UHFFFAOYSA-N 0 0 326.190 4.196 10 0 EIAERN COc1ccc(N2C(=O)[C@@H]3CC=CC=C3N[C@@H]2c2ccc(C)cc2)cc1 ZINC000095934906 218450802 /nfs/dbraw/zinc/45/08/02/218450802.db2.gz DJVPIJKMBBCFBN-CTNGQTDRSA-N 0 0 346.430 4.099 10 0 EIAERN Cc1ccc(OCC(=O)Oc2c(C)cc(Br)cc2C)cc1 ZINC000006923282 210744856 /nfs/dbraw/zinc/74/48/56/210744856.db2.gz JTGUMLAJQKQUPW-UHFFFAOYSA-N 0 0 349.224 4.359 10 0 EIAERN CCc1nn(-c2cccc(Cl)c2)c(CC)c1C(=O)N1CCCCC1 ZINC000006771386 210706283 /nfs/dbraw/zinc/70/62/83/210706283.db2.gz NKPYQOJZRKHYLJ-UHFFFAOYSA-N 0 0 345.874 4.277 10 0 EIAERN Cc1ccc([C@H]2CCCCN2C(=O)Nc2nnc(C(F)F)s2)o1 ZINC000158424193 225012153 /nfs/dbraw/zinc/01/21/53/225012153.db2.gz QUVXHQMXUXZIMA-SECBINFHSA-N 0 0 342.371 4.136 10 0 EIAERN COc1ccc(Cl)cc1C(=O)Nc1cc(Cl)c(C)cc1N ZINC000226349639 536548778 /nfs/dbraw/zinc/54/87/78/536548778.db2.gz JWEFYBPOMZZKLZ-UHFFFAOYSA-N 0 0 325.195 4.145 10 0 EIAERN Cc1cc(NC(=O)[C@@H](c2ccccc2)N2CCCc3ccccc32)no1 ZINC000012521741 563661966 /nfs/dbraw/zinc/66/19/66/563661966.db2.gz KSEXDSJYVSEVGF-HXUWFJFHSA-N 0 0 347.418 4.116 10 0 in-vitro EIAERN CCOC(=O)[C@@H]1c2ccc(F)cc2CCN1c1ccc(Cl)cc1 ZINC000095917915 563977736 /nfs/dbraw/zinc/97/77/36/563977736.db2.gz KBTNNTIUTQHWSW-KRWDZBQOSA-N 0 0 333.790 4.146 10 0 EIAERN CC1=NN(c2ccccc2)[C@@H]2OC(C)(C)[C@@H]3COc4ccccc4[C@@H]3[C@@H]12 ZINC000257173269 563984227 /nfs/dbraw/zinc/98/42/27/563984227.db2.gz IBROMFNXVVTFTM-AYWYSENESA-N 0 0 348.446 4.426 10 0 EIAERN CC(C)(C)[C@@H]1CCc2onc(C(=O)Nc3cc(Cl)ccc3O)c2C1 ZINC000000426607 563998563 /nfs/dbraw/zinc/99/85/63/563998563.db2.gz OLSKRICGLCKXCN-SNVBAGLBSA-N 0 0 348.830 4.437 10 0 EIAERN COc1cc(OC)cc(-c2ccc3c(n[nH]c3-c3ccc(F)cc3)n2)c1 ZINC000137706092 563999347 /nfs/dbraw/zinc/99/93/47/563999347.db2.gz CAMGZGMEPKFVMF-UHFFFAOYSA-N 0 0 349.365 4.448 10 0 in-vitro EIAERN COc1cc(/C=C(/C)[C@H](C)Cc2ccc(O)c(OC)c2)ccc1O ZINC000049181301 564032692 /nfs/dbraw/zinc/03/26/92/564032692.db2.gz OPAORDVBZRVVNQ-RNQWEJQRSA-N 0 0 328.408 4.397 10 0 EIAERN CCCC(=O)N1CCC[C@H](c2ccnc(Nc3ccc(C)cc3)n2)C1 ZINC000065148116 564101613 /nfs/dbraw/zinc/10/16/13/564101613.db2.gz MHPTVIRMFQBCNA-INIZCTEOSA-N 0 0 338.455 4.035 10 0 EIAERN CC[C@@H](C)[C@H](NC(=O)C1CCC1)c1nc(-c2cccc(Cl)c2)no1 ZINC000096276028 564146250 /nfs/dbraw/zinc/14/62/50/564146250.db2.gz MHDIMELTTBKUCS-ABAIWWIYSA-N 0 0 347.846 4.394 10 0 EIAERN O=C(c1ccc(N2CCOc3ccc(Cl)cc32)s1)N1CCCC1 ZINC000015735073 564157714 /nfs/dbraw/zinc/15/77/14/564157714.db2.gz ULCHESQNTKEGJR-UHFFFAOYSA-N 0 0 348.855 4.168 10 0 EIAERN O=Cc1ccc(-c2nc(C(F)(F)F)c(Br)s2)cc1 ZINC000616575583 564177347 /nfs/dbraw/zinc/17/73/47/564177347.db2.gz BFSWGECFTFXXIM-UHFFFAOYSA-N 0 0 336.132 4.404 10 0 EIAERN CC[C@H](C)SCC(=O)c1ccc(I)cc1 ZINC000034980802 564177533 /nfs/dbraw/zinc/17/75/33/564177533.db2.gz RSUGQFCETVQHGN-VIFPVBQESA-N 0 0 334.222 4.006 10 0 EIAERN CC[C@H](CC(=O)CCCOCc1ccccc1)NC(=O)OC(C)(C)C ZINC000405709972 564177595 /nfs/dbraw/zinc/17/75/95/564177595.db2.gz ILYKTTNNSMTTNB-QGZVFWFLSA-N 0 0 349.471 4.246 10 0 EIAERN C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)CCCOCc1ccccc1 ZINC000405806572 564177642 /nfs/dbraw/zinc/17/76/42/564177642.db2.gz CPXFIEJLUATLCV-HOTGVXAUSA-N 0 0 349.471 4.102 10 0 EIAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3cccnc3Cl)C2)cc1 ZINC000120820759 1032446308 /nfs/dbraw/zinc/44/63/08/1032446308.db2.gz MMJDPWQKYZLABL-TZMCWYRMSA-N 0 0 345.830 4.154 10 0 EIAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Nc1cccc(C)c1C ZINC000114564432 1022169952 /nfs/dbraw/zinc/16/99/52/1022169952.db2.gz UTZLPQZVQRQTHQ-KRWDZBQOSA-N 0 0 326.444 4.023 10 0 EIAERN O=C(Nc1cc(Cl)ccc1Cl)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000128208005 1023894480 /nfs/dbraw/zinc/89/44/80/1023894480.db2.gz BITCDUODBNDLLS-MEDUHNTESA-N 0 0 343.254 4.152 10 0 EIAERN CC(C)n1nc(-c2ccccc2)cc1NC(=O)N1CCC[C@H](C)C1 ZINC000073996431 1028145431 /nfs/dbraw/zinc/14/54/31/1028145431.db2.gz AXBGICJCNXKUKJ-HNNXBMFYSA-N 0 0 326.444 4.395 10 0 EIAERN O=C(c1cc(F)c(Cl)cc1F)N1CCC[C@@H](c2nccs2)C1 ZINC000122056603 1030612060 /nfs/dbraw/zinc/61/20/60/1030612060.db2.gz IZUWSQHBQJRKLL-SECBINFHSA-N 0 0 342.798 4.095 10 0 EIAERN O=C(Nc1cccc(-c2ncon2)c1)c1cc(Cl)ccc1Cl ZINC000101526343 1030694854 /nfs/dbraw/zinc/69/48/54/1030694854.db2.gz QYIBELKTAQWESZ-UHFFFAOYSA-N 0 0 334.162 4.296 10 0 EIAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3cccc4ncccc43)C2)cc1 ZINC000122291969 1030753992 /nfs/dbraw/zinc/75/39/92/1030753992.db2.gz SXXNUNFGDZLXFK-RDJZCZTQSA-N 0 0 346.430 4.262 10 0 EIAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cccn3C(C)C)C2)cc1 ZINC000122470556 1030832208 /nfs/dbraw/zinc/83/22/08/1030832208.db2.gz VQMCVEVZQOATQO-NVXWUHKLSA-N 0 0 326.440 4.096 10 0 EIAERN COc1cccc([C@H]2C[C@H]2C(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000117719885 1031208411 /nfs/dbraw/zinc/20/84/11/1031208411.db2.gz JDLXYECDFOZIBF-QZTJIDSGSA-N 0 0 339.460 4.176 10 0 EIAERN O=C(c1cc(F)c(F)c(F)c1F)N1CC=C(c2cccs2)CC1 ZINC000117721774 1031208786 /nfs/dbraw/zinc/20/87/86/1031208786.db2.gz DYSOAAIYWKWOFD-UHFFFAOYSA-N 0 0 341.329 4.234 10 0 EIAERN O=C(/C=C/c1cnc2ccccc2n1)N1CC=C(c2cccs2)CC1 ZINC000117723092 1031211725 /nfs/dbraw/zinc/21/17/25/1031211725.db2.gz GHKRNZCNMHIEOP-BQYQJAHWSA-N 0 0 347.443 4.020 10 0 EIAERN c1csc(C2=CCN(Cc3noc(-c4ccsc4)n3)CC2)c1 ZINC000118006019 1031340563 /nfs/dbraw/zinc/34/05/63/1031340563.db2.gz NOAAIAKEXFDRIM-UHFFFAOYSA-N 0 0 329.450 4.149 10 0 EIAERN CC(C)(C)CC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113219717 1031358638 /nfs/dbraw/zinc/35/86/38/1031358638.db2.gz HWORJPZMODWLJO-MRXNPFEDSA-N 0 0 325.456 4.219 10 0 EIAERN CC(C)[C@@H](C)NC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113578131 1031360217 /nfs/dbraw/zinc/36/02/17/1031360217.db2.gz IQXQKCYFYJKMFV-NVXWUHKLSA-N 0 0 340.471 4.010 10 0 EIAERN Cc1ccccc1[C@H](C)NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000114818215 1031374022 /nfs/dbraw/zinc/37/40/22/1031374022.db2.gz HLVLPNLKAXBOAT-LSDHHAIUSA-N 0 0 329.469 4.102 10 0 EIAERN Cc1cccc([C@H](C)NC(=O)N2CCC[C@@H](c3nccs3)C2)c1C ZINC000115858721 1031382786 /nfs/dbraw/zinc/38/27/86/1031382786.db2.gz JWXRPARCRXVUIP-JKSUJKDBSA-N 0 0 343.496 4.410 10 0 EIAERN CC(C)(C)c1ncc(C(=O)N2CC=C(c3cccs3)CC2)s1 ZINC000117719265 1031396554 /nfs/dbraw/zinc/39/65/54/1031396554.db2.gz VXNLQENARVVVSN-UHFFFAOYSA-N 0 0 332.494 4.432 10 0 EIAERN CCOc1cccc(NC(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000118014116 1031397558 /nfs/dbraw/zinc/39/75/58/1031397558.db2.gz LXFWSYKZPCIMTO-UHFFFAOYSA-N 0 0 328.437 4.468 10 0 EIAERN CCS[C@@H](C)c1noc(CN2CC=C(c3ccccc3)CC2)n1 ZINC000120356810 1031428319 /nfs/dbraw/zinc/42/83/19/1031428319.db2.gz ZARCNJJNQYRBJR-AWEZNQCLSA-N 0 0 329.469 4.173 10 0 EIAERN Cc1cc(Cl)cc2c1OCCC[C@@H]2NCc1nccn1C(F)F ZINC000122107475 1031446606 /nfs/dbraw/zinc/44/66/06/1031446606.db2.gz ZARLVJYEGGPYBK-ZDUSSCGKSA-N 0 0 341.789 4.244 10 0 EIAERN CC[C@@H](C(=O)N1CCC(c2nc(C)cs2)CC1)c1ccc(F)cc1 ZINC000124395227 1031525252 /nfs/dbraw/zinc/52/52/52/1031525252.db2.gz APIJWEPJNCZKAD-QGZVFWFLSA-N 0 0 346.471 4.490 10 0 EIAERN Cc1cc(C(=O)Nc2cccc(-c3ncon3)c2)c(Cl)cc1F ZINC000125439681 1031596237 /nfs/dbraw/zinc/59/62/37/1031596237.db2.gz ZIBIPVAVDDDWAE-UHFFFAOYSA-N 0 0 331.734 4.090 10 0 EIAERN Cc1csc(C2CCN(C(=O)CCc3cc(C)cc(C)c3)CC2)n1 ZINC000126564088 1031655171 /nfs/dbraw/zinc/65/51/71/1031655171.db2.gz RXAYMCILOBUDKM-UHFFFAOYSA-N 0 0 342.508 4.407 10 0 EIAERN Cc1ccc(C)c(NC(=O)NC2CCN(c3cccs3)CC2)c1 ZINC000128160887 1031728615 /nfs/dbraw/zinc/72/86/15/1031728615.db2.gz RQHBTUDNPKJWRJ-UHFFFAOYSA-N 0 0 329.469 4.155 10 0 EIAERN Cc1coc(-c2ccc(C)c(NC(=O)C[C@H](O)c3ccccc3)c2)n1 ZINC000089321242 1039035374 /nfs/dbraw/zinc/03/53/74/1039035374.db2.gz XCDWTFUTDRMXRN-SFHVURJKSA-N 0 0 336.391 4.021 10 0 EIAERN Cc1coc(-c2ccc(C)c(NC(=O)C[C@@H](O)c3ccccc3)c2)n1 ZINC000089321246 1039035971 /nfs/dbraw/zinc/03/59/71/1039035971.db2.gz XCDWTFUTDRMXRN-GOSISDBHSA-N 0 0 336.391 4.021 10 0 EIAERN O=C(c1ncccc1C(F)(F)F)N1CC=C(c2cccs2)CC1 ZINC000092396756 1039538133 /nfs/dbraw/zinc/53/81/33/1039538133.db2.gz DMWDEXKERKDCCK-UHFFFAOYSA-N 0 0 338.354 4.091 10 0 EIAERN C[C@H](NC(=O)N1CCC(Nc2ccccc2F)CC1)c1ccccc1 ZINC000073417325 1045804749 /nfs/dbraw/zinc/80/47/49/1045804749.db2.gz OVUSAKYUSHBIHG-HNNXBMFYSA-N 0 0 341.430 4.173 10 0 EIAERN COc1cc(NC(=O)N2CC=C(c3ccccc3)CC2)cc(OC)c1 ZINC000075979460 1045859213 /nfs/dbraw/zinc/85/92/13/1045859213.db2.gz BYGLLBWHOPJOGF-UHFFFAOYSA-N 0 0 338.407 4.025 10 0 EIAERN CC[C@H](NC(=O)Nc1cccc(-c2nccn2C)c1)c1cccs1 ZINC000077445299 1045950148 /nfs/dbraw/zinc/95/01/48/1045950148.db2.gz ZINBDOIWCHLSSW-HNNXBMFYSA-N 0 0 340.452 4.421 10 0 EIAERN O=S(=O)(Cc1ncc(-c2ccccc2Cl)o1)Cc1ccccc1 ZINC000078791451 1046129554 /nfs/dbraw/zinc/12/95/54/1046129554.db2.gz ZAGBOPAUFABEIU-UHFFFAOYSA-N 0 0 347.823 4.110 10 0 EIAERN Cc1cccc([C@H]2CCCCCN2C(=O)[C@@H]2CCCn3ccnc32)c1 ZINC000081759742 1047159772 /nfs/dbraw/zinc/15/97/72/1047159772.db2.gz AQGIIADGZMUYKK-RTBURBONSA-N 0 0 337.467 4.213 10 0 EIAERN C[C@H](O)c1cc(Br)ccc1OCc1cccc(F)c1 ZINC000052068042 214114581 /nfs/dbraw/zinc/11/45/81/214114581.db2.gz KJTHQEGIJUNXFD-JTQLQIEISA-N 0 0 325.177 4.221 10 0 EIAERN Cc1ccc(Oc2cccc(Cl)c2C(N)=O)c(Br)c1 ZINC000052903568 214153451 /nfs/dbraw/zinc/15/34/51/214153451.db2.gz JIAIUXAAVSQSAY-UHFFFAOYSA-N 0 0 340.604 4.302 10 0 EIAERN Cn1nc(-c2ccc(Br)cc2)c(-c2cccs2)c1N ZINC000052901675 214153967 /nfs/dbraw/zinc/15/39/67/214153967.db2.gz KTCAMMGEIVZFJY-UHFFFAOYSA-N 0 0 334.242 4.160 10 0 EIAERN O[C@H](Cc1ccc(Br)cc1)Cc1ccc(F)cc1Cl ZINC000053782821 214197712 /nfs/dbraw/zinc/19/77/12/214197712.db2.gz NXVONOXXXZCOFT-CQSZACIVSA-N 0 0 343.623 4.388 10 0 EIAERN O[C@@H](Cc1ccc(Br)cc1)Cc1ccc(F)cc1Cl ZINC000053782820 214197774 /nfs/dbraw/zinc/19/77/74/214197774.db2.gz NXVONOXXXZCOFT-AWEZNQCLSA-N 0 0 343.623 4.388 10 0 EIAERN O[C@@H](Cc1cccc(Cl)c1)Cc1ccc(Br)cc1F ZINC000053782660 214197852 /nfs/dbraw/zinc/19/78/52/214197852.db2.gz WKZCWDXMGBETAM-AWEZNQCLSA-N 0 0 343.623 4.388 10 0 EIAERN O[C@@H](Cc1ccc(Br)cc1F)Cc1ccccc1Cl ZINC000053786859 214199135 /nfs/dbraw/zinc/19/91/35/214199135.db2.gz YULYBGRSPHQMTB-CYBMUJFWSA-N 0 0 343.623 4.388 10 0 EIAERN Nc1nc(-c2ccc(Oc3ccc(Br)cc3)cc2)ns1 ZINC000053994449 214209879 /nfs/dbraw/zinc/20/98/79/214209879.db2.gz PCYINSKMVAOJMQ-UHFFFAOYSA-N 0 0 348.225 4.342 10 0 EIAERN CC(=O)c1cccc(NC(=O)N[C@H]2CCc3cc(Cl)ccc32)c1 ZINC000056524630 214378676 /nfs/dbraw/zinc/37/86/76/214378676.db2.gz XROQPAXGANMIFH-KRWDZBQOSA-N 0 0 328.799 4.352 10 0 EIAERN Cc1ccc2c(c1)N(Cc1ccccc1)C(=O)CC(c1ccncc1)=N2 ZINC000100898298 219111057 /nfs/dbraw/zinc/11/10/57/219111057.db2.gz GBXGIMKKDBPLQZ-UHFFFAOYSA-N 0 0 341.414 4.448 10 0 EIAERN CCOC(=O)c1sc(COc2cc(C)c(Cl)c(C)c2)nc1C ZINC000064872498 214811459 /nfs/dbraw/zinc/81/14/59/214811459.db2.gz IZFOHHGYEVFUPT-UHFFFAOYSA-N 0 0 339.844 4.477 10 0 EIAERN C[C@]12C[C@@H]3CC(NC(=O)COc4ccccc4F)(C1)C[C@@](C)(C3)C2 ZINC000101213016 219118533 /nfs/dbraw/zinc/11/85/33/219118533.db2.gz GUTREOVHCMJDDZ-KZNXGZGRSA-N 0 0 331.431 4.070 10 0 EIAERN O=C(/C=C\c1cccs1)NCc1cc(C2CC2)n(C2CCCC2)n1 ZINC000101323222 219122335 /nfs/dbraw/zinc/12/23/35/219122335.db2.gz KHZHPCKOFUHMDG-KTKRTIGZSA-N 0 0 341.480 4.267 10 0 EIAERN Cc1ccc(C)c(-c2nonc2NC(=O)c2cccc(Cl)c2)c1 ZINC000047133401 213832296 /nfs/dbraw/zinc/83/22/96/213832296.db2.gz AQPYJAPXTYBCSB-UHFFFAOYSA-N 0 0 327.771 4.259 10 0 EIAERN COc1cc2c(c(OC)c1)C(=O)O[C@@H](C)CCCC(=O)CCCCC2 ZINC000004026101 210103159 /nfs/dbraw/zinc/10/31/59/210103159.db2.gz RAWVOZSEEUOIDX-AWEZNQCLSA-N 0 0 348.439 4.105 10 0 EIAERN COc1ccc(CCN2C(=O)CS[C@@H]2c2ccc(C)c(C)c2)cc1 ZINC000003982262 210097232 /nfs/dbraw/zinc/09/72/32/210097232.db2.gz MDECYZLQYSAOEI-HXUWFJFHSA-N 0 0 341.476 4.129 10 0 EIAERN Cc1c(C=O)c2ccccn2c1C(=O)c1ccc(Br)cc1 ZINC000003885100 210083749 /nfs/dbraw/zinc/08/37/49/210083749.db2.gz ILQVUEMGMPUUGD-UHFFFAOYSA-N 0 0 342.192 4.054 10 0 EIAERN CC(C)(C)C(=O)C=C1Nc2ccccc2O[C@]1(O)CC(=O)C(C)(C)C ZINC000102780844 219230693 /nfs/dbraw/zinc/23/06/93/219230693.db2.gz CGQTWEVSBYOEHG-MBNYPGIVSA-N 0 0 345.439 4.333 10 0 EIAERN CC(C)(C)C(=O)C=C1Nc2ccccc2O[C@@]1(O)CC(=O)C(C)(C)C ZINC000102780847 219230070 /nfs/dbraw/zinc/23/00/70/219230070.db2.gz CGQTWEVSBYOEHG-PRDNPTHXSA-N 0 0 345.439 4.333 10 0 EIAERN O=C([O-])[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000067173467 215120269 /nfs/dbraw/zinc/12/02/69/215120269.db2.gz KOIXLNLJQOSNOZ-SJORKVTESA-N 0 0 349.352 4.006 10 0 EIAERN COCc1cccc(C(=O)N[C@@H](C)c2cccc(Br)c2)c1 ZINC000043733468 213595070 /nfs/dbraw/zinc/59/50/70/213595070.db2.gz ZVQPJKYIGQSETC-LBPRGKRZSA-N 0 0 348.240 4.087 10 0 EIAERN CN(Cc1cc(Br)cs1)c1ccc(Cl)cc1N ZINC000042399306 213503238 /nfs/dbraw/zinc/50/32/38/213503238.db2.gz IPQSWLKUCLZDTL-UHFFFAOYSA-N 0 0 331.666 4.383 10 0 EIAERN Cc1cc(C(=O)Cc2cc(F)ccc2Br)ccc1F ZINC000103937778 219330162 /nfs/dbraw/zinc/33/01/62/219330162.db2.gz CUFYFBWXZMVZKA-UHFFFAOYSA-N 0 0 325.152 4.461 10 0 EIAERN Fc1ccc2[nH]c(=S)n(-c3cccc(Br)c3)c2c1F ZINC000104160317 219354644 /nfs/dbraw/zinc/35/46/44/219354644.db2.gz MPWWYHICYWPAJU-UHFFFAOYSA-N 0 0 341.180 4.355 10 0 EIAERN Cc1c(C)c(Nc2cc(Br)ccc2F)nnc1Cl ZINC000104156676 219354876 /nfs/dbraw/zinc/35/48/76/219354876.db2.gz ZXDVISQXPREHJL-UHFFFAOYSA-N 0 0 330.588 4.392 10 0 EIAERN Nc1n[nH]c(-c2sccc2Br)c1-c1cccc(F)c1 ZINC000104284454 219369213 /nfs/dbraw/zinc/36/92/13/219369213.db2.gz JXZSFOPKBBTWII-UHFFFAOYSA-N 0 0 338.205 4.289 10 0 EIAERN CC1(C)Cc2cc([C@H](O)c3sccc3Br)ccc2O1 ZINC000104291552 219370778 /nfs/dbraw/zinc/37/07/78/219370778.db2.gz SQOTXJQXGSMYJG-ZDUSSCGKSA-N 0 0 339.254 4.306 10 0 EIAERN COC(=O)c1c(NC(=O)C(C)C)sc(C)c1-c1ccc(F)cc1 ZINC000040939164 213402154 /nfs/dbraw/zinc/40/21/54/213402154.db2.gz CHWYYBIDXDAYPQ-UHFFFAOYSA-N 0 0 335.400 4.244 10 0 EIAERN Cc1ccc(NC(=O)c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000040866934 213394835 /nfs/dbraw/zinc/39/48/35/213394835.db2.gz NBTIBUOCBWVFPD-UHFFFAOYSA-N 0 0 331.371 4.467 10 0 EIAERN CCOc1ccc(/C=C/C(=O)Oc2ccc(CC)cc2)cc1OC ZINC000040852929 213393003 /nfs/dbraw/zinc/39/30/03/213393003.db2.gz GOBWTOJXJQCOTR-UKTHLTGXSA-N 0 0 326.392 4.275 10 0 EIAERN Nc1c(Nc2ccc(C(F)(F)F)cc2)ncnc1NC1CCCC1 ZINC000040799904 213389029 /nfs/dbraw/zinc/38/90/29/213389029.db2.gz FHBQSGBBJBHIBA-UHFFFAOYSA-N 0 0 337.349 4.176 10 0 EIAERN CCc1ccc(Oc2ncnc(Nc3cccnc3Cl)c2N)cc1 ZINC000040801803 213388261 /nfs/dbraw/zinc/38/82/61/213388261.db2.gz NIKHMQIZQRUVCQ-UHFFFAOYSA-N 0 0 341.802 4.206 10 0 EIAERN Nc1c(Nc2cc(Cl)ccc2Cl)ncnc1NC1CCCC1 ZINC000040778396 213385684 /nfs/dbraw/zinc/38/56/84/213385684.db2.gz LKAUUKMOGZVXJX-UHFFFAOYSA-N 0 0 338.242 4.464 10 0 EIAERN Cc1ccc(Nc2ncnc(Nc3cc(F)ccc3F)c2N)cc1 ZINC000040782093 213387310 /nfs/dbraw/zinc/38/73/10/213387310.db2.gz QQDCVFKQKFXUFD-UHFFFAOYSA-N 0 0 327.338 4.133 10 0 EIAERN Nc1c(Nc2ccc(F)c(Cl)c2)ncnc1Oc1ccccc1 ZINC000040796046 213387451 /nfs/dbraw/zinc/38/74/51/213387451.db2.gz INUHMCZNYULLBB-UHFFFAOYSA-N 0 0 330.750 4.387 10 0 EIAERN Nc1c(Nc2ccc(Cl)cc2Cl)ncnc1NC1CCCC1 ZINC000040783331 213386936 /nfs/dbraw/zinc/38/69/36/213386936.db2.gz FXUWSSMXVLIGDD-UHFFFAOYSA-N 0 0 338.242 4.464 10 0 EIAERN COc1ccccc1Oc1ncnc(Nc2ccccc2Cl)c1N ZINC000040781377 213386277 /nfs/dbraw/zinc/38/62/77/213386277.db2.gz AHYZBIASNYBCTP-UHFFFAOYSA-N 0 0 342.786 4.257 10 0 EIAERN Cc1cccc(Nc2ncnc(Nc3cccnc3Cl)c2N)c1C ZINC000040755286 213383415 /nfs/dbraw/zinc/38/34/15/213383415.db2.gz HYKMFBMJABQFAY-UHFFFAOYSA-N 0 0 340.818 4.211 10 0 EIAERN Cc1ccc2cccc(Nc3ncnc(Oc4ccccc4)c3N)c2n1 ZINC000040758698 213382915 /nfs/dbraw/zinc/38/29/15/213382915.db2.gz ORHUDGIVQYFVEP-UHFFFAOYSA-N 0 0 343.390 4.451 10 0 EIAERN CN(c1ccccc1)c1ncnc(Nc2ccc(Cl)cc2)c1N ZINC000040757751 213382630 /nfs/dbraw/zinc/38/26/30/213382630.db2.gz KDAPWAFZHYRDES-UHFFFAOYSA-N 0 0 325.803 4.224 10 0 EIAERN Cc1cccc(Nc2ncnc(Oc3cccc4cccnc43)c2N)c1 ZINC000040752139 213382253 /nfs/dbraw/zinc/38/22/53/213382253.db2.gz ZJMIZQSVELQCLN-UHFFFAOYSA-N 0 0 343.390 4.451 10 0 EIAERN Cc1ccc(C)c(Nc2ncnc(Nc3cc(F)ccc3F)c2N)c1 ZINC000040704697 213372362 /nfs/dbraw/zinc/37/23/62/213372362.db2.gz KHWFBHVQWZIZKE-UHFFFAOYSA-N 0 0 341.365 4.441 10 0 EIAERN Nc1c(NC2CCCCC2)ncnc1NC12CC3CC(CC(C3)C1)C2 ZINC000040708498 213371979 /nfs/dbraw/zinc/37/19/79/213371979.db2.gz FRNKVQZLTMFPQN-UHFFFAOYSA-N 0 0 341.503 4.184 10 0 EIAERN COc1ccc(C)cc1Nc1ncnc(Nc2cccc(C)c2C)c1N ZINC000040684253 213368979 /nfs/dbraw/zinc/36/89/79/213368979.db2.gz VXKNVFMEQAVWKQ-UHFFFAOYSA-N 0 0 349.438 4.480 10 0 EIAERN Cc1nc(Nc2ncnc(Nc3ccc(C)c(C)c3)c2N)sc1C ZINC000040702894 213372206 /nfs/dbraw/zinc/37/22/06/213372206.db2.gz SVRPAFXGJGTRPZ-UHFFFAOYSA-N 0 0 340.456 4.236 10 0 EIAERN Cc1ccc(Nc2ncnc(Nc3cc(Cl)ccc3C)c2N)nc1 ZINC000040705053 213371670 /nfs/dbraw/zinc/37/16/70/213371670.db2.gz FPVDCHPKSVOOBS-UHFFFAOYSA-N 0 0 340.818 4.211 10 0 EIAERN Cc1ccc(Nc2ncnc(Nc3ccc(Cl)cc3C)c2N)nc1 ZINC000040703427 213371760 /nfs/dbraw/zinc/37/17/60/213371760.db2.gz DSOYDYKBGCIAET-UHFFFAOYSA-N 0 0 340.818 4.211 10 0 EIAERN Cc1cc(C)cc(Oc2ncnc(Nc3ccc(F)cc3F)c2N)c1 ZINC000040681610 213368566 /nfs/dbraw/zinc/36/85/66/213368566.db2.gz QUBJYUOYLWVPIA-UHFFFAOYSA-N 0 0 342.349 4.490 10 0 EIAERN CCN(c1ccccc1)c1ncnc(N(CC(C)C)CC(C)C)c1N ZINC000040679523 213368042 /nfs/dbraw/zinc/36/80/42/213368042.db2.gz ZFQJMJVWTDYWHY-UHFFFAOYSA-N 0 0 341.503 4.335 10 0 EIAERN Cc1cc(C)cc(Oc2ncnc(Nc3ccc(Cl)cn3)c2N)c1 ZINC000040681434 213368060 /nfs/dbraw/zinc/36/80/60/213368060.db2.gz KNFIJMLPZAVRDV-UHFFFAOYSA-N 0 0 341.802 4.260 10 0 EIAERN CCN(c1ccccc1)c1ncnc(Nc2ccc(F)c(F)c2)c1N ZINC000040679786 213368132 /nfs/dbraw/zinc/36/81/32/213368132.db2.gz DXOSSPXUIJWUSN-UHFFFAOYSA-N 0 0 341.365 4.239 10 0 EIAERN CCC(CC)[C@H](C)NC(=O)c1cc(Br)cn1C(C)C ZINC000104439643 219387662 /nfs/dbraw/zinc/38/76/62/219387662.db2.gz FYVILWNYXWVNGR-NSHDSACASA-N 0 0 329.282 4.386 10 0 EIAERN CCOC(=O)c1cc(CC)sc1NC(=O)/C=C/c1ccc(F)cc1 ZINC000001945957 209807647 /nfs/dbraw/zinc/80/76/47/209807647.db2.gz VIBDMFLJQWYKFN-JXMROGBWSA-N 0 0 347.411 4.278 10 0 EIAERN COCCCn1c(COc2ccccc2)nc2ccc(Cl)cc21 ZINC000040402900 213299172 /nfs/dbraw/zinc/29/91/72/213299172.db2.gz VSOHOXLTWQPGSP-UHFFFAOYSA-N 0 0 330.815 4.305 10 0 EIAERN Cc1cc(C)cc(NC(=O)c2cnc3c(C)c(Cl)ccc3c2O)c1 ZINC000040359367 213293395 /nfs/dbraw/zinc/29/33/95/213293395.db2.gz MDAIZOAUYKHVMY-UHFFFAOYSA-N 0 0 340.810 4.359 10 0 EIAERN O=C(NCc1cc(-c2ccc(Cl)cc2)no1)c1ccc(F)cc1 ZINC000040323457 213292615 /nfs/dbraw/zinc/29/26/15/213292615.db2.gz CTCKAUTXLNIEMX-UHFFFAOYSA-N 0 0 330.746 4.064 10 0 EIAERN CC(C)(C)NC(=O)Cn1c(/C=C/c2ccccc2)nc2ccccc21 ZINC000040300725 213289867 /nfs/dbraw/zinc/28/98/67/213289867.db2.gz QIDIAKQZPXAWEQ-BUHFOSPRSA-N 0 0 333.435 4.121 10 0 EIAERN CC(C)Cn1c(CNC(=O)c2cccc(Cl)c2)nc2ccccc21 ZINC000040278809 213287172 /nfs/dbraw/zinc/28/71/72/213287172.db2.gz PBUPIJSKQDSGGH-UHFFFAOYSA-N 0 0 341.842 4.276 10 0 EIAERN CC(C)CN(CC(C)C)C(=O)Cn1c2ccccc2nc1C(C)(C)C ZINC000040239304 213284762 /nfs/dbraw/zinc/28/47/62/213284762.db2.gz UTWKQTSCVRRMDZ-UHFFFAOYSA-N 0 0 343.515 4.474 10 0 EIAERN O=S(=O)(N=S(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001634509 209771461 /nfs/dbraw/zinc/77/14/61/209771461.db2.gz ZIXBXNGUYOHJKI-UHFFFAOYSA-N 0 0 341.457 4.295 10 0 EIAERN COc1ccc(OCCn2c3ccccc3nc2-c2ccco2)cc1 ZINC000040239022 213284150 /nfs/dbraw/zinc/28/41/50/213284150.db2.gz YGDIOGNCDCMLAT-UHFFFAOYSA-N 0 0 334.375 4.384 10 0 EIAERN COCCn1c(COc2ccc3ccccc3c2)nc2ccccc21 ZINC000040237976 213283825 /nfs/dbraw/zinc/28/38/25/213283825.db2.gz CQKJOAUKDOAVPX-UHFFFAOYSA-N 0 0 332.403 4.415 10 0 EIAERN COc1cccc2c(C)cc(=O)n(CCOc3ccc(Cl)cc3)c12 ZINC000040165949 213278552 /nfs/dbraw/zinc/27/85/52/213278552.db2.gz MYIIPXDBODWXCF-UHFFFAOYSA-N 0 0 343.810 4.051 10 0 EIAERN O=C(Nc1ccc(Oc2cnccn2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000040112525 213268582 /nfs/dbraw/zinc/26/85/82/213268582.db2.gz SFHAFLPRAVGKEX-UHFFFAOYSA-N 0 0 349.434 4.424 10 0 EIAERN C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4Cc5n[nH]cc5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000001320104 209725010 /nfs/dbraw/zinc/72/50/10/209725010.db2.gz LKAJKIOFIWVMDJ-YRFCBLNGSA-N 0 0 328.500 4.118 10 0 EIAERN Oc1ccc([C@H]2COc3cc(O)ccc3[C@@H]2c2ccc(O)cc2)cc1 ZINC000038305365 213207512 /nfs/dbraw/zinc/20/75/12/213207512.db2.gz VXHSDGZMRLGSEJ-CTNGQTDRSA-N 0 0 334.371 4.112 10 0 EIAERN CC(=O)N[C@@H](c1cccc(Br)c1)n1ccc2ccccc21 ZINC000038260468 213206547 /nfs/dbraw/zinc/20/65/47/213206547.db2.gz LVMVGLLFAYRSKM-QGZVFWFLSA-N 0 0 343.224 4.087 10 0 EIAERN Cc1nccc(CN[C@H](C)c2cc3cc(Br)ccc3o2)n1 ZINC000038037348 213195310 /nfs/dbraw/zinc/19/53/10/213195310.db2.gz UTHYRCZEFJHMPF-SNVBAGLBSA-N 0 0 346.228 4.145 10 0 EIAERN O=C(c1ccccc1F)N(Cc1ccccc1Br)C1CC1 ZINC000037983673 213182156 /nfs/dbraw/zinc/18/21/56/213182156.db2.gz QUTMSKSNZQFGBT-UHFFFAOYSA-N 0 0 348.215 4.393 10 0 EIAERN O=C(N[C@@H]1CCCC[C@H]1C(F)(F)F)c1cnc(Cl)c(Cl)c1 ZINC000037981252 213181457 /nfs/dbraw/zinc/18/14/57/213181457.db2.gz KOBBFOFYTCAVGR-PSASIEDQSA-N 0 0 341.160 4.239 10 0 EIAERN Cc1ccc([C@@H](C)NCC(=O)Nc2c(Cl)cccc2Cl)o1 ZINC000037976267 213179175 /nfs/dbraw/zinc/17/91/75/213179175.db2.gz HWHBPEMRPZFNEH-SNVBAGLBSA-N 0 0 327.211 4.184 10 0 EIAERN CC(C)C[C@@H](C)N(C)C(=O)c1cc(Br)cn1C1CC1 ZINC000037845157 213169472 /nfs/dbraw/zinc/16/94/72/213169472.db2.gz OZUFAWNYJGZLCQ-LLVKDONJSA-N 0 0 327.266 4.092 10 0 EIAERN COc1cc(Br)cc(C)c1N[C@H]1CCCC[C@H]1OC ZINC000037776788 213166490 /nfs/dbraw/zinc/16/64/90/213166490.db2.gz SJXUTVXRZQVQRR-QWHCGFSZSA-N 0 0 328.250 4.136 10 0 EIAERN COC(=O)c1cc2[nH]c(-c3cccs3)cc(C(F)(F)F)c-2n1 ZINC000037593729 213159802 /nfs/dbraw/zinc/15/98/02/213159802.db2.gz IWTXHXMBYDTTMW-UHFFFAOYSA-N 0 0 326.299 4.097 10 0 EIAERN O[C@@H](Cc1cccc(Cl)c1)Cc1cccc(Br)c1 ZINC000037532501 213154484 /nfs/dbraw/zinc/15/44/84/213154484.db2.gz UJDUAQZDBMWTRH-OAHLLOKOSA-N 0 0 325.633 4.249 10 0 EIAERN O=C(Nc1ncc(Br)s1)Nc1ccccc1Cl ZINC000037437269 213147141 /nfs/dbraw/zinc/14/71/41/213147141.db2.gz VFIXMTNPMMXRKC-UHFFFAOYSA-N 0 0 332.610 4.203 10 0 EIAERN Cc1nn(C)c(C)c1CNc1ccc(Br)cc1Cl ZINC000037392155 213143655 /nfs/dbraw/zinc/14/36/55/213143655.db2.gz MDIUZJZIZINHGH-UHFFFAOYSA-N 0 0 328.641 4.065 10 0 EIAERN COc1ccc(C(=O)c2cccc(Cl)c2)c(Br)c1 ZINC000037444594 213148319 /nfs/dbraw/zinc/14/83/19/213148319.db2.gz JOBQRMATICOBTN-UHFFFAOYSA-N 0 0 325.589 4.342 10 0 EIAERN O=Cc1cn(-c2ccc(Br)cc2)nc1-c1cccs1 ZINC000037311298 213139431 /nfs/dbraw/zinc/13/94/31/213139431.db2.gz SEMJXTBLCZHTDD-UHFFFAOYSA-N 0 0 333.210 4.176 10 0 EIAERN Brc1nn2cc(-c3ccc4ccccc4c3)nc2s1 ZINC000037353193 213140802 /nfs/dbraw/zinc/14/08/02/213140802.db2.gz LXJNCPFYEQUTNO-UHFFFAOYSA-N 0 0 330.210 4.374 10 0 EIAERN Nc1nc2cccc(Cl)c2n1-c1ccc(Br)cc1F ZINC000036899645 213126259 /nfs/dbraw/zinc/12/62/59/213126259.db2.gz JJJRMPIAWYHBHO-UHFFFAOYSA-N 0 0 340.583 4.163 10 0 EIAERN CCCn1cc(Br)cc1C(=O)NC1CCCCCC1 ZINC000036860294 213124742 /nfs/dbraw/zinc/12/47/42/213124742.db2.gz QNCYRQCRVFSADY-UHFFFAOYSA-N 0 0 327.266 4.113 10 0 EIAERN O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(Br)s1 ZINC000070136746 215676912 /nfs/dbraw/zinc/67/69/12/215676912.db2.gz URQSJPGFSKYULG-UHFFFAOYSA-N 0 0 340.286 4.065 10 0 EIAERN O=C(/C=C/c1cc(Br)ccc1F)N1CCCCCC1 ZINC000070236740 215684671 /nfs/dbraw/zinc/68/46/71/215684671.db2.gz HAZRSYNBTXYLDF-VMPITWQZSA-N 0 0 326.209 4.004 10 0 EIAERN CCN(CC)C(=O)c1csc(COc2cc(C)cc(C)c2C)n1 ZINC000036084237 213060361 /nfs/dbraw/zinc/06/03/61/213060361.db2.gz LIXDLPDDDJNFAW-UHFFFAOYSA-N 0 0 332.469 4.129 10 0 EIAERN Nc1cc(Br)ccc1NC(=O)Nc1ccccc1Cl ZINC000035782080 213048580 /nfs/dbraw/zinc/04/85/80/213048580.db2.gz KKFDMGGAUHUSCM-UHFFFAOYSA-N 0 0 340.608 4.329 10 0 EIAERN C[C@H](O)c1ccc(Oc2ccccc2I)cc1 ZINC000035632626 213044405 /nfs/dbraw/zinc/04/44/05/213044405.db2.gz KBLZFUNJURBSJX-JTQLQIEISA-N 0 0 340.160 4.137 10 0 EIAERN C[C@@H](O)c1ccc(OCc2ccc(Br)cc2F)cc1 ZINC000035626071 213044128 /nfs/dbraw/zinc/04/41/28/213044128.db2.gz SWCGOGGIKBPNAJ-SNVBAGLBSA-N 0 0 325.177 4.221 10 0 EIAERN CN[C@H](c1ccc(F)c(F)c1)c1cc(F)ccc1Br ZINC000035494715 213032715 /nfs/dbraw/zinc/03/27/15/213032715.db2.gz ZBQPJHWBDSMXJB-CQSZACIVSA-N 0 0 330.147 4.175 10 0 EIAERN COc1ccc2c(c1)ncnc2Nc1ccc(OC(F)(F)F)cc1 ZINC000032544543 212809185 /nfs/dbraw/zinc/80/91/85/212809185.db2.gz ATVTXWBBQLPFHR-UHFFFAOYSA-N 0 0 335.285 4.281 10 0 EIAERN C[C@H](Nc1nc2cc(Br)ccc2s1)[C@H]1CCCO1 ZINC000035736361 213048111 /nfs/dbraw/zinc/04/81/11/213048111.db2.gz QNLZRVGGNKIVQQ-GZMMTYOYSA-N 0 0 327.247 4.038 10 0 EIAERN COc1ccc(Br)c(C(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)c1 ZINC000031001218 212720194 /nfs/dbraw/zinc/72/01/94/212720194.db2.gz TUDCZINRWWAXMC-ZETOZRRWSA-N 0 0 340.261 4.012 10 0 EIAERN Cc1ccccc1N1C(=O)C(Cl)=C(c2ccc(Cl)cc2)C1=O ZINC000000064077 209396939 /nfs/dbraw/zinc/39/69/39/209396939.db2.gz IUDGKXCAKNTEFR-UHFFFAOYSA-N 0 0 332.186 4.172 10 0 EIAERN O=c1[nH]c(Nc2ccc(Cl)cc2)nc2nccc(-c3ccccc3)c21 ZINC000072440026 216233889 /nfs/dbraw/zinc/23/38/89/216233889.db2.gz VGRGAXKABYHPOL-UHFFFAOYSA-N 0 0 348.793 4.382 10 0 EIAERN COc1ccc(/C=C/c2ccnc(Nc3ccc(OC)cc3)n2)cc1 ZINC000072443706 216236451 /nfs/dbraw/zinc/23/64/51/216236451.db2.gz WVIRBDWTVYQWRW-ZZXKWVIFSA-N 0 0 333.391 4.408 10 0 EIAERN CC1(C)CC(=O)c2cn3ncc(-c4cccc(Cl)c4)c3nc2C1 ZINC000072464084 216246930 /nfs/dbraw/zinc/24/69/30/216246930.db2.gz YHNFOLUHUYFWLI-UHFFFAOYSA-N 0 0 325.799 4.205 10 0 EIAERN Cc1cc2nc(Cc3ccccc3)c(-c3ccc(F)cc3)c(N)n2n1 ZINC000211796843 241085812 /nfs/dbraw/zinc/08/58/12/241085812.db2.gz IZRCBJJFUXBAFM-UHFFFAOYSA-N 0 0 332.382 4.017 10 0 EIAERN CC(=O)Nc1ccc(-c2cncc(N[C@@H](C)c3ccccc3)n2)cc1 ZINC000201986500 241040584 /nfs/dbraw/zinc/04/05/84/241040584.db2.gz QIIGNRQSZCAWBS-AWEZNQCLSA-N 0 0 332.407 4.275 10 0 EIAERN C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(Cl)[C@H](O)C=C[C@]4(C)[C@H]3CC[C@@]21C ZINC000022054740 212273762 /nfs/dbraw/zinc/27/37/62/212273762.db2.gz ZHWBNJVZZYSUJZ-BUTDJBELSA-N 0 0 336.903 4.404 10 0 in-vitro EIAERN Cc1cc(N)c(NC(=O)c2ccccc2Br)cc1Cl ZINC000226346963 242099743 /nfs/dbraw/zinc/09/97/43/242099743.db2.gz PUDXSRRBTIYPNT-UHFFFAOYSA-N 0 0 339.620 4.245 10 0 EIAERN CCc1ccc(C(=O)Nc2cc(C)c(O)c(Br)c2)cc1 ZINC000226242588 242090868 /nfs/dbraw/zinc/09/08/68/242090868.db2.gz QBGBQUKAGOUIKU-UHFFFAOYSA-N 0 0 334.213 4.278 10 0 EIAERN CC(C)n1c2cnccc2nc(Nc2ccc(C(F)(F)F)cc2)c1=O ZINC000075877511 216665265 /nfs/dbraw/zinc/66/52/65/216665265.db2.gz HYAMVAIUYJEYRF-UHFFFAOYSA-N 0 0 348.328 4.135 10 0 EIAERN Nc1ccc(N2CCCC2)c(NC(=O)c2cccc3ccccc32)c1 ZINC000226255536 242093456 /nfs/dbraw/zinc/09/34/56/242093456.db2.gz QMNMFLBXHLJXCH-UHFFFAOYSA-N 0 0 331.419 4.275 10 0 EIAERN Clc1ccccc1COc1ccc(-c2nn3cnnc3s2)cc1 ZINC000226298559 242096182 /nfs/dbraw/zinc/09/61/82/242096182.db2.gz VJPNJDINSDACAI-UHFFFAOYSA-N 0 0 342.811 4.085 10 0 EIAERN CN(C(=O)c1ccc(-c2cc(N)ccc2Cl)o1)c1ccccc1 ZINC000226304095 242096415 /nfs/dbraw/zinc/09/64/15/242096415.db2.gz UVDOWSHVDJLOPF-UHFFFAOYSA-N 0 0 326.783 4.459 10 0 EIAERN CN(C)c1ccc(N)cc1C(=O)Nc1ccccc1-c1ccccc1 ZINC000226324261 242097680 /nfs/dbraw/zinc/09/76/80/242097680.db2.gz SFOCNLDQJBBGGG-UHFFFAOYSA-N 0 0 331.419 4.254 10 0 EIAERN Cc1cc(N)c(NC(=O)c2ccccc2F)cc1N1CCCC[C@@H]1C ZINC000226329930 242097697 /nfs/dbraw/zinc/09/76/97/242097697.db2.gz KTLXXCNJKKJCSX-AWEZNQCLSA-N 0 0 341.430 4.347 10 0 EIAERN C[C@@H]1CCCN(c2c(Br)cc(N)cc2Br)C1 ZINC000226316543 242098864 /nfs/dbraw/zinc/09/88/64/242098864.db2.gz GPXXELZRHFTZPQ-MRVPVSSYSA-N 0 0 348.082 4.030 10 0 EIAERN NC(=O)c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000226322080 242098879 /nfs/dbraw/zinc/09/88/79/242098879.db2.gz XLKRLUGZJDJKSA-UHFFFAOYSA-N 0 0 330.598 4.325 10 0 EIAERN COc1ccc(C(=O)Nc2cc(Cl)c(C)cc2N)cc1Cl ZINC000226349717 242099249 /nfs/dbraw/zinc/09/92/49/242099249.db2.gz CGDPMKSSYUVIRJ-UHFFFAOYSA-N 0 0 325.195 4.145 10 0 EIAERN COc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(N)c1 ZINC000226347298 242099343 /nfs/dbraw/zinc/09/93/43/242099343.db2.gz YJQSQFLGPKDGHS-UHFFFAOYSA-N 0 0 332.812 4.398 10 0 EIAERN Cc1ccc(CN2CCc3nc(Nc4ccc(F)cc4)ncc3C2)cc1 ZINC000021639748 212236179 /nfs/dbraw/zinc/23/61/79/212236179.db2.gz AIYOMKJFOLALQN-UHFFFAOYSA-N 0 0 348.425 4.226 10 0 EIAERN CCOc1c(Cl)cc(Cl)cc1C(=O)Nc1ncc(C)s1 ZINC000021127003 212210189 /nfs/dbraw/zinc/21/01/89/212210189.db2.gz MZSUYRZGIPWJDO-UHFFFAOYSA-N 0 0 331.224 4.409 10 0 EIAERN Cc1sc2ncnc(NC[C@H](C)O)c2c1-c1ccc(Cl)cc1 ZINC000020321556 212118698 /nfs/dbraw/zinc/11/86/98/212118698.db2.gz HFOZUBOQYJSISQ-VIFPVBQESA-N 0 0 333.844 4.113 10 0 EIAERN COc1c(C)cnc(COc2ccc(C)cc2Br)c1C ZINC000020077773 212099480 /nfs/dbraw/zinc/09/94/80/212099480.db2.gz PKLBDODJXMRCTD-UHFFFAOYSA-N 0 0 336.229 4.357 10 0 EIAERN Cc1cc(Br)cc(C)c1NCc1cn2ccccc2n1 ZINC000020071121 212099371 /nfs/dbraw/zinc/09/93/71/212099371.db2.gz NONYNERDVRLXIN-UHFFFAOYSA-N 0 0 330.229 4.326 10 0 EIAERN COc1c(C)cnc(CNc2ccc(Br)cc2C)c1C ZINC000020043027 212097160 /nfs/dbraw/zinc/09/71/60/212097160.db2.gz WBKBRDJEXOOISS-UHFFFAOYSA-N 0 0 335.245 4.390 10 0 EIAERN Cc1ccc(N)c(C)c1NC(=O)c1ccc(Br)cc1F ZINC000019516527 212036945 /nfs/dbraw/zinc/03/69/45/212036945.db2.gz NWYIDTXECCTMNG-UHFFFAOYSA-N 0 0 337.192 4.040 10 0 EIAERN Cc1ccc(NC(=O)c2ccc(Cl)cc2N)c(Br)c1 ZINC000019403870 212025202 /nfs/dbraw/zinc/02/52/02/212025202.db2.gz XGMILAVYAJAQGP-UHFFFAOYSA-N 0 0 339.620 4.245 10 0 EIAERN Clc1cc(Br)cc(Cl)c1NCCCn1ccnc1 ZINC000049327911 214001326 /nfs/dbraw/zinc/00/13/26/214001326.db2.gz FGGKCXISIJLCSL-UHFFFAOYSA-N 0 0 349.059 4.455 10 0 EIAERN CC(C)C[C@@H](C)N(C)C(=O)c1cc(Br)cnc1Cl ZINC000050045363 214042874 /nfs/dbraw/zinc/04/28/74/214042874.db2.gz CDMJCDGXXLBHTQ-SECBINFHSA-N 0 0 333.657 4.004 10 0 EIAERN COc1ccc(-c2csc(Nc3ccc4c(c3)OCO4)n2)cc1 ZINC000084604691 217620781 /nfs/dbraw/zinc/62/07/81/217620781.db2.gz GZJYAXMWPBJOGY-UHFFFAOYSA-N 0 0 326.377 4.291 10 0 EIAERN CCOc1ccc2ncc(S(=O)(=O)c3ccccc3)c(Cl)c2c1 ZINC000085346449 217659889 /nfs/dbraw/zinc/65/98/89/217659889.db2.gz PASJFWDYYNMYDV-UHFFFAOYSA-N 0 0 347.823 4.120 10 0 EIAERN S=C1N=NC(Cc2ccccc2)N1c1ccc(Cl)c(Cl)c1 ZINC000085347581 217660278 /nfs/dbraw/zinc/66/02/78/217660278.db2.gz FSZKIJQUGGKMFW-UHFFFAOYSA-N 0 0 336.247 4.454 10 0 EIAERN Fc1ccc(-c2cnnc(NCc3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000012438438 211380966 /nfs/dbraw/zinc/38/09/66/211380966.db2.gz MHUQZMAVWJDEOT-UHFFFAOYSA-N 0 0 348.303 4.309 10 0 EIAERN CC[C@H]1CN(Cc2c(C)nn(CC)c2C)Cc2ccc(Cl)cc2O1 ZINC000012150725 211307307 /nfs/dbraw/zinc/30/73/07/211307307.db2.gz GRTCJZQSUZUFLT-KRWDZBQOSA-N 0 0 347.890 4.346 10 0 EIAERN CC(C)(C)OC(=O)N1CCCC[C@H]1COCc1cnc(Cl)s1 ZINC000095086685 218277343 /nfs/dbraw/zinc/27/73/43/218277343.db2.gz XLAKADXFRPYTGP-NSHDSACASA-N 0 0 346.880 4.103 10 0 EIAERN Cc1cccc(C)c1OCCCCn1c(CCO)nc2ccccc21 ZINC000008786176 211007890 /nfs/dbraw/zinc/00/78/90/211007890.db2.gz HTGYWEXUVQFBEL-UHFFFAOYSA-N 0 0 338.451 4.047 10 0 EIAERN CCOC(=O)[C@@H]1c2ccc(Cl)cc2CCN1c1ccc(F)cc1 ZINC000095743875 218447752 /nfs/dbraw/zinc/44/77/52/218447752.db2.gz RQALVIYDMVWHIV-KRWDZBQOSA-N 0 0 333.790 4.146 10 0 EIAERN COc1ccccc1N1C(=O)S/C(=C\c2cccc(F)c2)C1=O ZINC000006182620 210597500 /nfs/dbraw/zinc/59/75/00/210597500.db2.gz IJRMNWOKJGXLSG-GDNBJRDFSA-N 0 0 329.352 4.075 10 0 EIAERN CCOC(=O)c1c(C)c(C)sc1NC(=O)Cc1ccc(C)cc1C ZINC000005268029 210430394 /nfs/dbraw/zinc/43/03/94/210430394.db2.gz CCJZVRNMYNTMMF-UHFFFAOYSA-N 0 0 345.464 4.340 10 0 EIAERN Cn1cc(CCC(=O)N2CCCC[C@@H]2c2cccnc2)c2ccccc21 ZINC000248161155 257662194 /nfs/dbraw/zinc/66/21/94/257662194.db2.gz XOXWMQGNXXHREA-HXUWFJFHSA-N 0 0 347.462 4.260 10 0 EIAERN Cc1noc(C)c1[C@@H](C)c1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1 ZINC000299744318 258009150 /nfs/dbraw/zinc/00/91/50/258009150.db2.gz OEOXQALBJZJIHR-XQAQDONZSA-N 0 0 339.395 4.071 10 0 EIAERN Nc1c(Sc2ccccc2)ncnc1N1CCCc2ccccc21 ZINC000040780135 132407697 /nfs/dbraw/zinc/40/76/97/132407697.db2.gz UXYSZDWQTJRDOB-UHFFFAOYSA-N 0 0 334.448 4.294 10 0 EIAERN CCOC(=O)c1cnc2nc(C)ccc2c1N1CCCc2ccccc21 ZINC000047157830 132423852 /nfs/dbraw/zinc/42/38/52/132423852.db2.gz YXWVACFABCXHLO-UHFFFAOYSA-N 0 0 347.418 4.199 10 0 EIAERN CC(C)(C)c1nc2ccccc2n1CC(=O)N1CCCc2ccccc21 ZINC000040239319 534906435 /nfs/dbraw/zinc/90/64/35/534906435.db2.gz PJNBHZCXSHLNBY-UHFFFAOYSA-N 0 0 347.462 4.313 10 0 EIAERN Cc1ccc2nc(-c3ccccc3C)c(NC(=O)c3ccco3)n2c1 ZINC000034913355 563485085 /nfs/dbraw/zinc/48/50/85/563485085.db2.gz DMFKUUDSEDVFML-UHFFFAOYSA-N 0 0 331.375 4.463 10 0 EIAERN CC(=O)N(Cc1ccc(O)cc1)c1cnccc1Oc1ccccc1 ZINC000095828697 563977698 /nfs/dbraw/zinc/97/76/98/563977698.db2.gz KPOKOQUIYGLUFT-UHFFFAOYSA-N 0 0 334.375 4.133 10 0 EIAERN COC(=O)C1=CCC[C@H]2[C@@]1(C)CC[C@@H](C)[C@]2(C)CCC1=CC(=O)OC1 ZINC000096023699 563977897 /nfs/dbraw/zinc/97/78/97/563977897.db2.gz ZAOFNJDVAJQRBK-LPNJYYIDSA-N 0 0 346.467 4.202 10 0 biogenic EIAERN COc1ccccc1CN(C(C)=O)c1cnccc1Oc1ccccc1 ZINC000000008614 564065366 /nfs/dbraw/zinc/06/53/66/564065366.db2.gz DHZBNHMEIOBPAE-UHFFFAOYSA-N 0 0 348.402 4.436 10 0 EIAERN OC1(c2cc(Br)cc(Br)c2)CCCCC1 ZINC000521401615 564073819 /nfs/dbraw/zinc/07/38/19/564073819.db2.gz KIIGVSDEZZAQQU-UHFFFAOYSA-N 0 0 334.051 4.363 10 0 EIAERN O=C(Nc1cnccc1-c1ccc(Br)cc1)C(F)(F)F ZINC000667386171 564079311 /nfs/dbraw/zinc/07/93/11/564079311.db2.gz LDCQCTLSBAFEMS-UHFFFAOYSA-N 0 0 345.118 4.012 10 0 EIAERN O=C(Nc1cnc(Oc2ccccc2F)nc1)c1ccc(Cl)cc1 ZINC000224282775 564089004 /nfs/dbraw/zinc/08/90/04/564089004.db2.gz BDTXRXPLHQFSSW-UHFFFAOYSA-N 0 0 343.745 4.314 10 0 EIAERN CC(C)c1nnc(-c2sccc2NC(=O)c2cc(F)ccc2F)o1 ZINC000065218729 564102792 /nfs/dbraw/zinc/10/27/92/564102792.db2.gz SWGXZEDDWOUTQD-UHFFFAOYSA-N 0 0 349.362 4.452 10 0 EIAERN C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)C=C[C@]43C)[C@H]1CCC21OCCO1 ZINC000043735376 564129229 /nfs/dbraw/zinc/12/92/29/564129229.db2.gz AOYBIWCQSGSYJF-OMQSBVIBSA-N 0 0 328.452 4.037 10 0 EIAERN O=Cc1cccc(-c2nc(C(F)(F)F)c(Br)s2)c1 ZINC000616579236 564177366 /nfs/dbraw/zinc/17/73/66/564177366.db2.gz ROYUTQYFBFQKNJ-UHFFFAOYSA-N 0 0 336.132 4.404 10 0 EIAERN CC[C@@H](CNC(=O)OC(C)(C)C)C(=O)CCCOCc1ccccc1 ZINC000405907784 564177616 /nfs/dbraw/zinc/17/76/16/564177616.db2.gz SFXLPAAVENDDJL-KRWDZBQOSA-N 0 0 349.471 4.103 10 0 EIAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)Nc3cccc(OC)c3)C2)cc1 ZINC000120792340 1032416384 /nfs/dbraw/zinc/41/63/84/1032416384.db2.gz WDYMUKOIGWWLCK-ZBFHGGJFSA-N 0 0 340.423 4.114 10 0 EIAERN C[C@H](Cc1ccccc1F)C(=O)N1CC=C(c2cccs2)CC1 ZINC000120986826 1032483253 /nfs/dbraw/zinc/48/32/53/1032483253.db2.gz TUDWGZSODLZLJM-CQSZACIVSA-N 0 0 329.440 4.382 10 0 EIAERN Cc1c(C(=O)N2CCC[C@H]2c2ccco2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000116212424 1022806317 /nfs/dbraw/zinc/80/63/17/1022806317.db2.gz GQBPQVBOPDVLLR-AWEZNQCLSA-N 0 0 340.423 4.049 10 0 EIAERN O=C(c1sccc1-c1ccccc1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000127605847 1023888892 /nfs/dbraw/zinc/88/88/92/1023888892.db2.gz NYGDURNJIZOPLB-OXJNMPFZSA-N 0 0 341.476 4.182 10 0 EIAERN CC(=O)c1c(F)cccc1N1CCC(Nc2ccccc2F)CC1 ZINC000078370341 1027354148 /nfs/dbraw/zinc/35/41/48/1027354148.db2.gz JVQAXCYCCWDXAM-UHFFFAOYSA-N 0 0 330.378 4.248 10 0 EIAERN C[C@@H](NC(=O)N(C)C1CCC(CO)CC1)c1ccc(C(C)(C)C)cc1 ZINC000126525740 1027976459 /nfs/dbraw/zinc/97/64/59/1027976459.db2.gz RBYBBYODGAKHDA-MDCZIUGASA-N 0 0 346.515 4.238 10 0 EIAERN CSc1ccc(NC(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000114807018 1029617231 /nfs/dbraw/zinc/61/72/31/1029617231.db2.gz KQMPJUZGMSDCSD-LBPRGKRZSA-N 0 0 333.482 4.277 10 0 EIAERN O=C(Nc1ccc2[nH]ccc2c1)N1CCC[C@H](c2nccs2)C1 ZINC000114813509 1029622023 /nfs/dbraw/zinc/62/20/23/1029622023.db2.gz OXVAXMVLZGPCCY-ZDUSSCGKSA-N 0 0 326.425 4.036 10 0 EIAERN CC(C)(C)[C@@H](NC(=O)N1CCC[C@@H](c2cc[nH]n2)C1)c1cccs1 ZINC000114935965 1030275245 /nfs/dbraw/zinc/27/52/45/1030275245.db2.gz CRELNJJQBKOSST-CJNGLKHVSA-N 0 0 346.500 4.148 10 0 EIAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc(SC)o3)C2)cc1 ZINC000121985049 1030549385 /nfs/dbraw/zinc/54/93/85/1030549385.db2.gz YDUUYRXMPHKUHQ-TZMCWYRMSA-N 0 0 331.437 4.028 10 0 EIAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3cccn3C(C)C)C2)cc1 ZINC000122470320 1030832499 /nfs/dbraw/zinc/83/24/99/1030832499.db2.gz VQMCVEVZQOATQO-RDJZCZTQSA-N 0 0 326.440 4.096 10 0 EIAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)N(Cc1ccccc1)c1ccccn1 ZINC000117587978 1031149700 /nfs/dbraw/zinc/14/97/00/1031149700.db2.gz KFSHYXWUKNHWSB-IIBYNOLFSA-N 0 0 344.414 4.180 10 0 EIAERN CC(C)Cc1nc(C(=O)N2CC=C(c3cccs3)CC2)cs1 ZINC000117721366 1031208276 /nfs/dbraw/zinc/20/82/76/1031208276.db2.gz FUTFDSSNAJWNLD-UHFFFAOYSA-N 0 0 332.494 4.333 10 0 EIAERN O=C([C@@H]1C[C@@H]1c1ccc(F)c(F)c1)N1CC=C(c2cccs2)CC1 ZINC000117719185 1031208657 /nfs/dbraw/zinc/20/86/57/1031208657.db2.gz JOVIPMQLJAXUEB-HUUCEWRRSA-N 0 0 345.414 4.446 10 0 EIAERN CC(C)(C)[C@H](NC(=O)N1CCCC[C@H]1c1ncc[nH]1)c1cccs1 ZINC000106537354 1031276148 /nfs/dbraw/zinc/27/61/48/1031276148.db2.gz JBWLVSMZFMRASH-DZGCQCFKSA-N 0 0 346.500 4.495 10 0 EIAERN COc1ccc(C)cc1NC(=O)N1CC=C(c2cccs2)CC1 ZINC000118008037 1031340816 /nfs/dbraw/zinc/34/08/16/1031340816.db2.gz LRDQIDHSCGKKEY-UHFFFAOYSA-N 0 0 328.437 4.386 10 0 EIAERN CCC[C@@H](C)C(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218895 1031358421 /nfs/dbraw/zinc/35/84/21/1031358421.db2.gz HWVXWWTZJZTKQW-WBVHZDCISA-N 0 0 325.456 4.219 10 0 EIAERN CCOc1cc(C(=O)N2CCC(c3nc(C)cs3)CC2)ccc1C ZINC000113165663 1031359244 /nfs/dbraw/zinc/35/92/44/1031359244.db2.gz TZQPKZSOOXWAGH-UHFFFAOYSA-N 0 0 344.480 4.178 10 0 EIAERN O=C(Nc1ccc(F)c(Cl)c1)N1CCC[C@H](c2nccs2)C1 ZINC000114805054 1031371788 /nfs/dbraw/zinc/37/17/88/1031371788.db2.gz GYFKAZDRAISFKS-JTQLQIEISA-N 0 0 339.823 4.347 10 0 EIAERN Cc1ccccc1[C@@H](C)NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000114818213 1031372742 /nfs/dbraw/zinc/37/27/42/1031372742.db2.gz HLVLPNLKAXBOAT-HUUCEWRRSA-N 0 0 329.469 4.102 10 0 EIAERN O=C(N[C@H](c1ccccc1)C1CC1)N1CCC[C@@H](c2nccs2)C1 ZINC000114820888 1031373138 /nfs/dbraw/zinc/37/31/38/1031373138.db2.gz QEASEZAXWUNNMY-IAGOWNOFSA-N 0 0 341.480 4.183 10 0 EIAERN O=C(c1ccc(OC(F)F)cc1)N1CC=C(c2cccs2)CC1 ZINC000117719645 1031396191 /nfs/dbraw/zinc/39/61/91/1031396191.db2.gz ODGJDGBSCIHVHC-UHFFFAOYSA-N 0 0 335.375 4.279 10 0 EIAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3nccc4ccccc43)C2)cc1 ZINC000121186185 1031436768 /nfs/dbraw/zinc/43/67/68/1031436768.db2.gz UNVYGLFRMIAIEW-QAPCUYQASA-N 0 0 346.430 4.262 10 0 EIAERN Cc1cn2c(CN3CCCC[C@H]3c3nccs3)c(C)nc2s1 ZINC000127715438 1031706711 /nfs/dbraw/zinc/70/67/11/1031706711.db2.gz CNMIKXVJDCLOII-ZDUSSCGKSA-N 0 0 332.498 4.196 10 0 EIAERN Cc1ccc(NC(=O)[C@]2(C)CC2(Cl)Cl)cc1-c1ncco1 ZINC000128019351 1031722397 /nfs/dbraw/zinc/72/23/97/1031722397.db2.gz YGELJGYMXDUGOA-AWEZNQCLSA-N 0 0 325.195 4.172 10 0 EIAERN O=C(C[C@H](O)c1ccccc1)N1Cc2ccccc2-c2ccccc2C1 ZINC000091437179 1039369484 /nfs/dbraw/zinc/36/94/84/1039369484.db2.gz RUWSHMYOKDOUFD-QFIPXVFZSA-N 0 0 343.426 4.320 10 0 EIAERN C[C@@H](OC(=O)[C@@H]1CC(=O)Nc2ccccc21)c1ccc(Cl)s1 ZINC000092487417 1039555587 /nfs/dbraw/zinc/55/55/87/1039555587.db2.gz FWEQYAJPHUEPJO-MWLCHTKSSA-N 0 0 335.812 4.132 10 0 EIAERN O=C(N[C@@H]1CCCc2ccc(F)cc21)N[C@H]1CCOc2ccccc21 ZINC000093120481 1042841941 /nfs/dbraw/zinc/84/19/41/1042841941.db2.gz UMPMUCOKDDNLJO-MSOLQXFVSA-N 0 0 340.398 4.026 10 0 EIAERN CC[C@H](CC(=O)N1CCC[C@@H](c2nccs2)C1)c1ccccc1 ZINC000067046331 1045735910 /nfs/dbraw/zinc/73/59/10/1045735910.db2.gz SEQYMGWDDHVLEY-NVXWUHKLSA-N 0 0 328.481 4.433 10 0 EIAERN CCOc1ccc([C@@H]2CCCN2C(=O)[C@]2(C)CC2(Cl)Cl)cc1 ZINC000071054044 1045774603 /nfs/dbraw/zinc/77/46/03/1045774603.db2.gz SVTBLXZFFFEPAO-HOCLYGCPSA-N 0 0 342.266 4.333 10 0 EIAERN Cc1ncsc1CN(C)Cc1ncc(-c2ccccc2Cl)o1 ZINC000075719532 1045844308 /nfs/dbraw/zinc/84/43/08/1045844308.db2.gz FSLNEZAMRNMSJB-UHFFFAOYSA-N 0 0 333.844 4.392 10 0 EIAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)CCc3ccsc3)C2)cc1 ZINC000078188367 1046008712 /nfs/dbraw/zinc/00/87/12/1046008712.db2.gz WRFJQIVYQIQRQV-YOEHRIQHSA-N 0 0 329.465 4.094 10 0 EIAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)CCc3cccs3)C2)cc1 ZINC000078188118 1046009710 /nfs/dbraw/zinc/00/97/10/1046009710.db2.gz WXOIABLYUMANIL-ZBFHGGJFSA-N 0 0 329.465 4.094 10 0 EIAERN Fc1ccc(NC2CCN(Cc3cnc(Cl)s3)CC2)cc1 ZINC000079319224 1046206466 /nfs/dbraw/zinc/20/64/66/1046206466.db2.gz CPVCWZAFCNULHY-UHFFFAOYSA-N 0 0 325.840 4.012 10 0 EIAERN Cn1cccc1C(=O)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000068932037 1055099825 /nfs/dbraw/zinc/09/98/25/1055099825.db2.gz DRQWLXULANWVRX-AWEZNQCLSA-N 0 0 325.437 4.002 10 0 EIAERN COc1ccc(Br)cc1-c1nc2c(s1)C(=O)CCC2 ZINC000050329781 214053782 /nfs/dbraw/zinc/05/37/82/214053782.db2.gz CBBJQVKKZJPHLJ-UHFFFAOYSA-N 0 0 338.226 4.100 10 0 EIAERN COc1ccc(Br)cc1C[C@@H](O)c1ccccc1Cl ZINC000050438740 214056410 /nfs/dbraw/zinc/05/64/10/214056410.db2.gz OAYGVPTZMJWREJ-CQSZACIVSA-N 0 0 341.632 4.387 10 0 EIAERN Cc1nn(-c2ccnc3cc(Cl)ccc32)c(C)c1Br ZINC000050594618 214060288 /nfs/dbraw/zinc/06/02/88/214060288.db2.gz YQOYWKQQWQMCMX-UHFFFAOYSA-N 0 0 336.620 4.453 10 0 EIAERN COc1ccc(Br)cc1[C@H](O)c1ccc(Cl)s1 ZINC000051172806 214081622 /nfs/dbraw/zinc/08/16/22/214081622.db2.gz JJWGFSGMFLMXNO-LBPRGKRZSA-N 0 0 333.634 4.254 10 0 EIAERN CN(Cc1ccc(Cl)s1)c1cccc(Cl)c1C(N)=S ZINC000052905927 214154024 /nfs/dbraw/zinc/15/40/24/214154024.db2.gz CCKBISXAOABPTC-UHFFFAOYSA-N 0 0 331.293 4.326 10 0 EIAERN O=C(CCc1cc(F)ccc1F)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000052997634 214160595 /nfs/dbraw/zinc/16/05/95/214160595.db2.gz GPSVPOFWMAYNBC-YPMHNXCESA-N 0 0 335.316 4.135 10 0 EIAERN Cc1csc(SCCNc2ccc(Br)cc2)n1 ZINC000053611944 214191047 /nfs/dbraw/zinc/19/10/47/214191047.db2.gz KIMCLCVQJJPSOZ-UHFFFAOYSA-N 0 0 329.288 4.418 10 0 EIAERN Cc1cc([C@@H](O)Cc2cc(Br)ccc2F)ccc1F ZINC000053785170 214197677 /nfs/dbraw/zinc/19/76/77/214197677.db2.gz BPKOKPKTEBCTOA-HNNXBMFYSA-N 0 0 327.168 4.312 10 0 EIAERN Cc1ccc(NC(=O)c2oc3ccc(Br)cc3c2N)cc1 ZINC000053993898 214209284 /nfs/dbraw/zinc/20/92/84/214209284.db2.gz GKYORRJKHVAOER-UHFFFAOYSA-N 0 0 345.196 4.338 10 0 EIAERN Cc1cc([C@H](CO)Nc2ccccc2Br)c(C)s1 ZINC000049688053 214026127 /nfs/dbraw/zinc/02/61/27/214026127.db2.gz UTUHZXOCZYSATF-AWEZNQCLSA-N 0 0 326.259 4.273 10 0 EIAERN Cc1nn(C)c(Cl)c1/C=C/c1nc(-c2ccc(Cl)cc2)no1 ZINC000004284829 210161154 /nfs/dbraw/zinc/16/11/54/210161154.db2.gz ZLOJQMNHRQJVND-BQYQJAHWSA-N 0 0 335.194 4.256 10 0 EIAERN COc1ccc2[nH+]cc(C(=O)[O-])c(NCc3ccc(Cl)cc3)c2c1 ZINC000004226227 210147220 /nfs/dbraw/zinc/14/72/20/210147220.db2.gz BJELMQZTIRNABX-UHFFFAOYSA-N 0 0 342.782 4.207 10 0 EIAERN CCC(=O)n1nc(-c2ccc(Cl)cc2)nc1NCc1ccccc1 ZINC000003655277 210072149 /nfs/dbraw/zinc/07/21/49/210072149.db2.gz MDDMTGIDRAUKPM-UHFFFAOYSA-N 0 0 340.814 4.261 10 0 EIAERN Cc1cccc2sc(NC(=O)COc3cccc(C)c3C)nc21 ZINC000003558860 210055046 /nfs/dbraw/zinc/05/50/46/210055046.db2.gz VOXVDDCWTZKARD-UHFFFAOYSA-N 0 0 326.421 4.239 10 0 EIAERN Cc1cc(C)c(CSc2nnc(-c3ccc(F)cc3)n2N)cc1C ZINC000002614799 209872432 /nfs/dbraw/zinc/87/24/32/209872432.db2.gz LTASHYPPRHXGOO-UHFFFAOYSA-N 0 0 342.443 4.016 10 0 EIAERN Cc1ccc(C(=O)Cc2ccc(F)cc2Br)cc1F ZINC000103933719 219329983 /nfs/dbraw/zinc/32/99/83/219329983.db2.gz KKAIZTPOWWQYIS-UHFFFAOYSA-N 0 0 325.152 4.461 10 0 EIAERN Cc1cc(C(=O)Cc2ccc(F)c(Br)c2)ccc1F ZINC000103937774 219330331 /nfs/dbraw/zinc/33/03/31/219330331.db2.gz FZGFZSBTAHOBMY-UHFFFAOYSA-N 0 0 325.152 4.461 10 0 EIAERN Fc1ccc(NCCOc2ccc(Br)cc2)c(F)c1 ZINC000104003165 219336692 /nfs/dbraw/zinc/33/66/92/219336692.db2.gz XFGTZNCUHBSSNI-UHFFFAOYSA-N 0 0 328.156 4.218 10 0 EIAERN CCNc1cc(C(C)C)[nH+]c2ccc(I)cc12 ZINC000103972617 219334102 /nfs/dbraw/zinc/33/41/02/219334102.db2.gz QNUDYMNRJBJEDV-UHFFFAOYSA-N 0 0 340.208 4.395 10 0 EIAERN CCCC1CCC([NH2+]Cc2ccc(I)o2)CC1 ZINC000103971574 219334143 /nfs/dbraw/zinc/33/41/43/219334143.db2.gz YDGGCYQXCCLLHG-UHFFFAOYSA-N 0 0 347.240 4.333 10 0 EIAERN C[C@@H]1CCCC[C@H]1OC(=O)c1cc(Br)cnc1Cl ZINC000104147659 219353699 /nfs/dbraw/zinc/35/36/99/219353699.db2.gz KOTZPCKHLVYKDI-LDYMZIIASA-N 0 0 332.625 4.233 10 0 EIAERN O=C(Nc1ccnc2ccc(Br)cc21)c1ccccc1 ZINC000041057927 213413047 /nfs/dbraw/zinc/41/30/47/213413047.db2.gz AHJNTIBKAZRCOC-UHFFFAOYSA-N 0 0 327.181 4.250 10 0 EIAERN Cc1ccc2nccc(NC(=O)COc3ccc(Cl)cc3)c2c1 ZINC000041057287 213411434 /nfs/dbraw/zinc/41/14/34/213411434.db2.gz ZWBZISSKPZOCOY-UHFFFAOYSA-N 0 0 326.783 4.214 10 0 EIAERN CCOC(=O)Nc1sc(C)c(-c2ccc(F)cc2)c1C(=O)OC ZINC000041012898 213408648 /nfs/dbraw/zinc/40/86/48/213408648.db2.gz ALYVKQUBCCJGOQ-UHFFFAOYSA-N 0 0 337.372 4.218 10 0 EIAERN Cc1nc(Cl)c(C)c(Oc2ccc(F)cc2Br)n1 ZINC000104215388 219361532 /nfs/dbraw/zinc/36/15/32/219361532.db2.gz OQAZGQNLJKYEDV-UHFFFAOYSA-N 0 0 331.572 4.441 10 0 EIAERN COc1cccc(O[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)c1 ZINC000040946234 213402725 /nfs/dbraw/zinc/40/27/25/213402725.db2.gz ZOMCHIRGPFIUNE-ZDUSSCGKSA-N 0 0 333.815 4.371 10 0 EIAERN CCOc1ccc(/C=C/C(=O)Oc2cc(C)cc(C)c2)cc1OC ZINC000040852688 213392977 /nfs/dbraw/zinc/39/29/77/213392977.db2.gz BBVSZNBKCMUARV-VQHVLOKHSA-N 0 0 326.392 4.330 10 0 EIAERN CCc1ccc(Oc2ncnc(Nc3ccc(F)cc3F)c2N)cc1 ZINC000040800265 213388236 /nfs/dbraw/zinc/38/82/36/213388236.db2.gz COEAWQIVZWJUKH-UHFFFAOYSA-N 0 0 342.349 4.435 10 0 EIAERN Nc1c(Nc2cccc(Cl)c2Cl)ncnc1NC1CCCC1 ZINC000040778798 213386141 /nfs/dbraw/zinc/38/61/41/213386141.db2.gz IYMDVHRMCDENFO-UHFFFAOYSA-N 0 0 338.242 4.464 10 0 EIAERN Cc1ccc(CNc2ncnc(Nc3cc(F)ccc3F)c2N)cc1 ZINC000040783801 213387446 /nfs/dbraw/zinc/38/74/46/213387446.db2.gz GDOJWKFKZHYNAM-UHFFFAOYSA-N 0 0 341.365 4.001 10 0 EIAERN Nc1c(NCc2ccc(F)cc2)ncnc1Nc1ccc(Cl)cc1 ZINC000040782201 213386528 /nfs/dbraw/zinc/38/65/28/213386528.db2.gz MPIBERGFZPRSPU-UHFFFAOYSA-N 0 0 343.793 4.207 10 0 EIAERN CC(=O)Nc1ccc(NC(=O)c2cc3c(cccc3Cl)n2C)cc1 ZINC000040788807 213386549 /nfs/dbraw/zinc/38/65/49/213386549.db2.gz ULYMPJFYUJVXGR-UHFFFAOYSA-N 0 0 341.798 4.042 10 0 EIAERN Cc1cccnc1Nc1ncnc(Nc2ccc(F)c(Cl)c2)c1N ZINC000040758148 213383122 /nfs/dbraw/zinc/38/31/22/213383122.db2.gz UOEXEJGIUOBDOZ-UHFFFAOYSA-N 0 0 344.781 4.042 10 0 EIAERN Nc1c(Nc2nccs2)ncnc1Sc1ccc(Cl)cc1 ZINC000040723028 213375963 /nfs/dbraw/zinc/37/59/63/213375963.db2.gz AWMMJPFTBLYVJA-UHFFFAOYSA-N 0 0 335.845 4.064 10 0 EIAERN COc1ccc(C)cc1Nc1ncnc(Oc2ccc(C)cc2)c1N ZINC000040684440 213369397 /nfs/dbraw/zinc/36/93/97/213369397.db2.gz HWTSESBRPADAOT-UHFFFAOYSA-N 0 0 336.395 4.220 10 0 EIAERN Cc1cc(Cl)ccc1Nc1ncnc(OC2CCCCC2)c1N ZINC000040703496 213371823 /nfs/dbraw/zinc/37/18/23/213371823.db2.gz HZWORZGQRONZEL-UHFFFAOYSA-N 0 0 332.835 4.476 10 0 EIAERN Cc1ccnc(Nc2ncnc(Oc3cccc4ccccc43)c2N)c1 ZINC000040682938 213368141 /nfs/dbraw/zinc/36/81/41/213368141.db2.gz HUNJDHGEJOIGBK-UHFFFAOYSA-N 0 0 343.390 4.451 10 0 EIAERN Cc1cc(Br)cc(N)c1NC(=O)C[C@H](C)C(C)(C)C ZINC000104434027 219386976 /nfs/dbraw/zinc/38/69/76/219386976.db2.gz NHIUYAGQNDBDNV-JTQLQIEISA-N 0 0 327.266 4.351 10 0 EIAERN O=C(Nc1ccc(Cc2nnc(-c3ccccc3)o2)cc1)c1ccco1 ZINC000040323149 213292144 /nfs/dbraw/zinc/29/21/44/213292144.db2.gz RQVKOVQTGWEVCE-UHFFFAOYSA-N 0 0 345.358 4.173 10 0 EIAERN CCCCn1c(CCCCCNC(=O)CCC)nc2ccccc21 ZINC000040211232 213281696 /nfs/dbraw/zinc/28/16/96/213281696.db2.gz GHJCOQQGXKNJFD-UHFFFAOYSA-N 0 0 329.488 4.466 10 0 EIAERN COc1cccc2c(C)cc(=O)n(CCOc3cc(C)cc(C)c3)c12 ZINC000040165951 213278028 /nfs/dbraw/zinc/27/80/28/213278028.db2.gz OBBUPJSYKQLKHA-UHFFFAOYSA-N 0 0 337.419 4.014 10 0 EIAERN Cc1cc(C)c2nc(C)cc(NC(=O)c3ccc4c(c3)OCO4)c2c1 ZINC000040177102 213279218 /nfs/dbraw/zinc/27/92/18/213279218.db2.gz HBNIIUMXRFYKBD-UHFFFAOYSA-N 0 0 334.375 4.141 10 0 EIAERN Cn1cc(C(=O)Nc2ccc(Cl)cc2)c(=O)c2cccc(Cl)c21 ZINC000039962999 213247387 /nfs/dbraw/zinc/24/73/87/213247387.db2.gz LLPFYOLINNZXHG-UHFFFAOYSA-N 0 0 347.201 4.098 10 0 EIAERN CCN(c1ccc(-c2ccccc2)o1)S(=O)(=O)c1ccc(C)cc1 ZINC000039126797 213231937 /nfs/dbraw/zinc/23/19/37/213231937.db2.gz PCFQYKDPBTWTKK-UHFFFAOYSA-N 0 0 341.432 4.470 10 0 EIAERN O=C(c1ccccc1)c1cc(Cl)ccc1I ZINC000039347364 213234868 /nfs/dbraw/zinc/23/48/68/213234868.db2.gz AQDOLAWKRIYYAT-UHFFFAOYSA-N 0 0 342.563 4.176 10 0 EIAERN COc1ccc(Cl)cc1CNc1cc2c(cc1Cl)OCO2 ZINC000038051543 213198776 /nfs/dbraw/zinc/19/87/76/213198776.db2.gz FDYMVNNMOPWCPC-UHFFFAOYSA-N 0 0 326.179 4.343 10 0 EIAERN C[C@H](Nc1ccc(-n2cccn2)nc1)c1ccc(Br)s1 ZINC000038002757 213187681 /nfs/dbraw/zinc/18/76/81/213187681.db2.gz ZQCLBNKVNZLXMQ-JTQLQIEISA-N 0 0 349.257 4.264 10 0 EIAERN Cc1ccc([C@@H](C)NC(=O)c2cc(Br)ccc2Cl)o1 ZINC000037976458 213180389 /nfs/dbraw/zinc/18/03/89/213180389.db2.gz HQEHGVVSAHLKPB-SECBINFHSA-N 0 0 342.620 4.495 10 0 EIAERN CCN(Cc1cccc(F)c1)C(=O)c1cc(Cl)nc(Cl)c1 ZINC000037976546 213179803 /nfs/dbraw/zinc/17/98/03/213179803.db2.gz AYTCCBAMYIEYJK-UHFFFAOYSA-N 0 0 327.186 4.190 10 0 EIAERN COc1cc(Br)cc(C)c1NCc1cnc(C)s1 ZINC000037797674 213168228 /nfs/dbraw/zinc/16/82/28/213168228.db2.gz DLWDPWCBFNZLKW-UHFFFAOYSA-N 0 0 327.247 4.143 10 0 EIAERN O=C(c1ccccc1F)N1CCn2cccc2[C@H]1c1ccccc1F ZINC000037421902 213146981 /nfs/dbraw/zinc/14/69/81/213146981.db2.gz ZLEHUDIYZDGYIA-LJQANCHMSA-N 0 0 338.357 4.012 10 0 EIAERN Cc1ncsc1[C@@H](C)Nc1cc(Br)ccc1N(C)C ZINC000037318320 213139996 /nfs/dbraw/zinc/13/99/96/213139996.db2.gz XOXDXFRMAZTBTK-SNVBAGLBSA-N 0 0 340.290 4.453 10 0 EIAERN Cc1cc(Br)ccc1C(=O)Nc1ccc(Cl)c(N)c1 ZINC000036829260 213121634 /nfs/dbraw/zinc/12/16/34/213121634.db2.gz GXKZBLUSQHWWBD-UHFFFAOYSA-N 0 0 339.620 4.245 10 0 EIAERN Cc1ccc(-c2[nH]nc(N)c2-c2cccc(Br)c2)s1 ZINC000036766151 213117241 /nfs/dbraw/zinc/11/72/41/213117241.db2.gz NAXHIVRDVIZVML-UHFFFAOYSA-N 0 0 334.242 4.458 10 0 EIAERN CCOC(=O)CCNc1c(Cl)cc(Br)cc1Cl ZINC000036671290 213108653 /nfs/dbraw/zinc/10/86/53/213108653.db2.gz RVVRXAPGUBLDFB-UHFFFAOYSA-N 0 0 341.032 4.121 10 0 EIAERN CN(Cc1ccccc1)C(=O)c1cncc(-c2cc(F)cc(F)c2)c1 ZINC000036349029 213086292 /nfs/dbraw/zinc/08/62/92/213086292.db2.gz CLLNQMXKFFWKCO-UHFFFAOYSA-N 0 0 338.357 4.299 10 0 EIAERN C[C@H](O)c1ccc(OCc2ccc(F)cc2Br)cc1 ZINC000035626323 213043474 /nfs/dbraw/zinc/04/34/74/213043474.db2.gz ZXGINZWKTDSWDH-JTQLQIEISA-N 0 0 325.177 4.221 10 0 EIAERN CN[C@H](c1ccc(F)cc1Br)c1cc(F)ccc1F ZINC000035468813 213030906 /nfs/dbraw/zinc/03/09/06/213030906.db2.gz RUJFRKHZGRICSB-CQSZACIVSA-N 0 0 330.147 4.175 10 0 EIAERN CN[C@@H](c1ccoc1)c1cc(Cl)cc(Br)c1OC ZINC000035457945 213030243 /nfs/dbraw/zinc/03/02/43/213030243.db2.gz TXXFDVCNIYPMJI-LBPRGKRZSA-N 0 0 330.609 4.013 10 0 EIAERN C=CC(=O)NCc1nc2ccccc2n1Cc1ccc(C(C)C)cc1 ZINC000035143615 213010976 /nfs/dbraw/zinc/01/09/76/213010976.db2.gz LKNSAJJJBFXDPQ-UHFFFAOYSA-N 0 0 333.435 4.010 10 0 EIAERN COc1cc([C@@H]2O[C@@H](c3ccc(O)c(OC)c3)[C@H](C)[C@H]2C)ccc1O ZINC000034997037 213003391 /nfs/dbraw/zinc/00/33/91/213003391.db2.gz GMXMKSFJQLFOSO-IIBDXVJDSA-N 0 0 344.407 4.200 10 0 biogenic EIAERN O=C(Cc1nc2ccccc2o1)c1cc(Br)ccc1F ZINC000034940214 213002726 /nfs/dbraw/zinc/00/27/26/213002726.db2.gz QCHMVRXGEQEIDU-UHFFFAOYSA-N 0 0 334.144 4.155 10 0 EIAERN Oc1cccc(-c2noc(-c3ccc(F)cc3Br)n2)c1 ZINC000034956200 213002255 /nfs/dbraw/zinc/00/22/55/213002255.db2.gz GDZTWNDOETUWMD-UHFFFAOYSA-N 0 0 335.132 4.011 10 0 EIAERN C[C@@H](NC(=O)/C=C\c1ccc(Br)cc1)c1ccccc1 ZINC000033456456 212940284 /nfs/dbraw/zinc/94/02/84/212940284.db2.gz NSKLYDSDBJZOBQ-KIWPFMIBSA-N 0 0 330.225 4.340 10 0 EIAERN Cc1ccc(Cl)cc1NC(=O)Nc1cc(F)c2[nH]c(=O)ccc2c1 ZINC000033127155 212901100 /nfs/dbraw/zinc/90/11/00/212901100.db2.gz KSXKBHALWKDCCY-UHFFFAOYSA-N 0 0 345.761 4.273 10 0 EIAERN Cc1ccc(Cl)cc1NC(=O)C(=O)Nc1cccc2ccccc21 ZINC000072105416 216009511 /nfs/dbraw/zinc/00/95/11/216009511.db2.gz REZOCWQJUBBJNL-UHFFFAOYSA-N 0 0 338.794 4.379 10 0 EIAERN Brc1csc2c(I)csc12 ZINC000072188034 216068288 /nfs/dbraw/zinc/06/82/88/216068288.db2.gz NOXJANNYZRUSOQ-UHFFFAOYSA-N 0 0 345.024 4.330 10 0 EIAERN Cc1ccc(Nc2nc(N3C[C@@H](C)O[C@@H](C)C3)nc3ccccc32)cc1 ZINC000072260474 216086360 /nfs/dbraw/zinc/08/63/60/216086360.db2.gz VEDDTGRGYWATMD-IYBDPMFKSA-N 0 0 348.450 4.295 10 0 EIAERN COc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC000000250249 209503937 /nfs/dbraw/zinc/50/39/37/209503937.db2.gz PGGHUSHBDGZRPD-FMIVXFBMSA-N 0 0 348.358 4.409 10 0 EIAERN Nc1cc(F)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000037288818 213139287 /nfs/dbraw/zinc/13/92/87/213139287.db2.gz XBMADGWLHBJOBL-UHFFFAOYSA-N 0 0 330.584 4.403 10 0 EIAERN COc1ncccc1N[C@@H](C)c1ccc(F)c(Br)c1 ZINC000037301451 213139319 /nfs/dbraw/zinc/13/93/19/213139319.db2.gz LPWKSMDQJWBEEZ-VIFPVBQESA-N 0 0 325.181 4.165 10 0 EIAERN CCc1cccc(C)c1NCc1ccc(I)o1 ZINC000037763836 213166262 /nfs/dbraw/zinc/16/62/62/213166262.db2.gz XLURYHQBCCCRFH-UHFFFAOYSA-N 0 0 341.192 4.367 10 0 EIAERN O=c1[nH]c(N2N=C(c3ccccc3)C[C@H]2c2cccs2)cs1 ZINC000072413711 216204912 /nfs/dbraw/zinc/20/49/12/216204912.db2.gz SUKDZCMUTWLEHS-ZDUSSCGKSA-N 0 0 327.434 4.165 10 0 EIAERN O=c1[nH]c(Nc2ccccc2)nc2nccc(-c3ccc(Cl)cc3)c21 ZINC000072440646 216235078 /nfs/dbraw/zinc/23/50/78/216235078.db2.gz ZYUMDQSOLVOQLV-UHFFFAOYSA-N 0 0 348.793 4.382 10 0 EIAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(C)c1C ZINC000022699922 212318943 /nfs/dbraw/zinc/31/89/43/212318943.db2.gz DCUWSDYAJICTSW-AUUYWEPGSA-N 0 0 338.451 4.087 10 0 EIAERN CC[C@@H](C(=S)NC1CCCCC1)N(Cc1ccccc1)C(C)=O ZINC000022130335 212278021 /nfs/dbraw/zinc/27/80/21/212278021.db2.gz CHYGLIFVILWSCD-SFHVURJKSA-N 0 0 332.513 4.063 10 0 EIAERN Cc1ccc(-c2cncc3sc(-c4nn[nH]n4)cc32)cc1Cl ZINC000211866624 241085404 /nfs/dbraw/zinc/08/54/04/241085404.db2.gz VCUUUVWVBNHYNR-UHFFFAOYSA-N 0 0 327.800 4.105 10 0 EIAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1O ZINC000021866411 212257569 /nfs/dbraw/zinc/25/75/69/212257569.db2.gz XOWIOLRGHMHSGF-SECBINFHSA-N 0 0 326.179 4.105 10 0 EIAERN CCOc1ccc(NC(=O)c2cc(Cl)ccc2Cl)c(N)c1 ZINC000226347420 242099874 /nfs/dbraw/zinc/09/98/74/242099874.db2.gz AWTKCXWAPXSDRJ-UHFFFAOYSA-N 0 0 325.195 4.227 10 0 EIAERN CCOc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(N)c1 ZINC000226347395 242100026 /nfs/dbraw/zinc/10/00/26/242100026.db2.gz NIUNUCLMKCIWTB-UHFFFAOYSA-N 0 0 325.195 4.227 10 0 EIAERN CCN(CC)c1ccc(N)cc1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000226260426 242092178 /nfs/dbraw/zinc/09/21/78/242092178.db2.gz AXUFLZQRSZOQSN-KPKJPENVSA-N 0 0 343.858 4.420 10 0 EIAERN Cc1cc(NC(=O)C(F)(F)F)cc2nc(-c3cccc(F)c3)oc21 ZINC000226270699 242092829 /nfs/dbraw/zinc/09/28/29/242092829.db2.gz JTHHGEUJQSVWRU-UHFFFAOYSA-N 0 0 338.260 4.443 10 0 EIAERN C[C@@H]1CCCCN1c1ccc(N)cc1NC(=O)c1ccc(F)cc1 ZINC000226254827 242093235 /nfs/dbraw/zinc/09/32/35/242093235.db2.gz HFXBXKDQILIPNQ-CYBMUJFWSA-N 0 0 327.403 4.039 10 0 EIAERN CCC(CC)C(=O)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1 ZINC000021126498 212209846 /nfs/dbraw/zinc/20/98/46/212209846.db2.gz WEQPZMICKRYAMI-UHFFFAOYSA-N 0 0 336.391 4.230 10 0 EIAERN CCCC[NH2+]Cc1c(C)n(-c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC000021024916 212200392 /nfs/dbraw/zinc/20/03/92/212200392.db2.gz JGDJUYHKRHLAMI-UHFFFAOYSA-N 0 0 334.847 4.335 10 0 EIAERN Cc1ccc2onc(CNC(=O)Nc3nc4ccccc4s3)c2c1 ZINC000020922383 212187880 /nfs/dbraw/zinc/18/78/80/212187880.db2.gz SVTSFYXJNMQMDK-UHFFFAOYSA-N 0 0 338.392 4.068 10 0 EIAERN Fc1cccc(F)c1CNc1ccccc1I ZINC000020480190 212135630 /nfs/dbraw/zinc/13/56/30/212135630.db2.gz IWPKIEWVOIXVKC-UHFFFAOYSA-N 0 0 345.130 4.182 10 0 EIAERN CCN(Cc1ccccc1)C(=O)c1cc(Br)ccc1NC ZINC000255187838 244046978 /nfs/dbraw/zinc/04/69/78/244046978.db2.gz HBSHKVOSHMSEFD-UHFFFAOYSA-N 0 0 347.256 4.153 10 0 EIAERN c1csc(CN2CCc3[nH]nc(-c4cccc5ccccc54)c3C2)n1 ZINC000019953980 212089366 /nfs/dbraw/zinc/08/93/66/212089366.db2.gz KYROUOSLIUCDJJ-UHFFFAOYSA-N 0 0 346.459 4.245 10 0 EIAERN COc1cccc(CNc2ccc(Br)cc2F)c1OC ZINC000019908045 212082104 /nfs/dbraw/zinc/08/21/04/212082104.db2.gz YXZFTYXYUYLHAE-UHFFFAOYSA-N 0 0 340.192 4.218 10 0 EIAERN Fc1ccccc1[C@H]1CN(Cc2ccncc2)Cc2ccccc2O1 ZINC000019608595 212051290 /nfs/dbraw/zinc/05/12/90/212051290.db2.gz NLXUQVAFBSAJNJ-OAQYLSRUSA-N 0 0 334.394 4.357 10 0 EIAERN C[C@@H](Nc1ncc(Br)cc1N)c1ccccc1Cl ZINC000049506668 214012761 /nfs/dbraw/zinc/01/27/61/214012761.db2.gz KGWDIPBLHPAKOA-MRVPVSSYSA-N 0 0 326.625 4.253 10 0 EIAERN Cc1csc(Cn2c(=S)[nH]c3cc(Br)ccc32)n1 ZINC000049534153 214015188 /nfs/dbraw/zinc/01/51/88/214015188.db2.gz KZOYEZMDCRNIMM-UHFFFAOYSA-N 0 0 340.271 4.275 10 0 EIAERN Cc1cc([C@@H](CO)Nc2cccc(Br)c2)c(C)s1 ZINC000049688056 214027178 /nfs/dbraw/zinc/02/71/78/214027178.db2.gz FVXRSKBRAMNRON-CQSZACIVSA-N 0 0 326.259 4.273 10 0 EIAERN COc1ccc(/C=C2\SC(=N)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000015053320 211791945 /nfs/dbraw/zinc/79/19/45/211791945.db2.gz WORPNVIQCDFUEL-QFULKBQASA-N 0 0 344.823 4.404 10 0 EIAERN Cc1cccc(-c2cnc(C)nc2[C@H]2CCCN(C(=O)C(C)C)C2)c1 ZINC000014886939 211769977 /nfs/dbraw/zinc/76/99/77/211769977.db2.gz BYKRTVXWQIUROS-SFHVURJKSA-N 0 0 337.467 4.122 10 0 EIAERN O=C(N/C=C\c1ccc(Br)cc1)OCc1ccccc1 ZINC000085484735 217674843 /nfs/dbraw/zinc/67/48/43/217674843.db2.gz QTNNGECHOBOGOH-KHPPLWFESA-N 0 0 332.197 4.346 10 0 EIAERN CCCCCCOc1ccccc1C(=O)Nc1ccnc2n[nH]cc21 ZINC000089224787 217776633 /nfs/dbraw/zinc/77/66/33/217776633.db2.gz XAGSFFFHDTWAFW-UHFFFAOYSA-N 0 0 338.411 4.169 10 0 EIAERN Cc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(C)c(Cl)c2)cc1 ZINC000012403304 211369116 /nfs/dbraw/zinc/36/91/16/211369116.db2.gz GNXJOAAIKMJWIA-CSKARUKUSA-N 0 0 344.867 4.483 10 0 EIAERN COc1ccc(Nc2nc(Cl)nc3cc(OC)c(OC)cc32)cc1 ZINC000011756250 211245508 /nfs/dbraw/zinc/24/55/08/211245508.db2.gz BORFFVKOUDRLTE-UHFFFAOYSA-N 0 0 345.786 4.053 10 0 EIAERN CC(C)c1nn(-c2ccc(F)cc2)c(C(C)C)c1C(=O)N1CCCC1 ZINC000006771606 210707646 /nfs/dbraw/zinc/70/76/46/210707646.db2.gz CBVGMRVECJSVES-UHFFFAOYSA-N 0 0 343.446 4.494 10 0 EIAERN COc1cccc(C(=O)Nc2nc(-c3cccc(OC)c3)cs2)c1 ZINC000006451606 210635220 /nfs/dbraw/zinc/63/52/20/210635220.db2.gz RWZQLYSCMFGQKE-UHFFFAOYSA-N 0 0 340.404 4.080 10 0 EIAERN CCCc1ccc(OCC(=O)Nc2cccc(Br)c2)cc1 ZINC000005432374 210462287 /nfs/dbraw/zinc/46/22/87/210462287.db2.gz JYXCYNKYJAFJOB-UHFFFAOYSA-N 0 0 348.240 4.419 10 0 EIAERN COCCCNC(=O)c1ccc2c(c1)N=C(C)c1ccccc1S2 ZINC000004929341 210327038 /nfs/dbraw/zinc/32/70/38/210327038.db2.gz QHOJEHQJDDFDJZ-UHFFFAOYSA-N 0 0 340.448 4.058 10 0 EIAERN Cc1cc(C)n(-c2nc3ccccc3nc2NCCc2ccccc2)n1 ZINC000004924753 210325329 /nfs/dbraw/zinc/32/53/29/210325329.db2.gz IHKPNUMZCJAYRJ-UHFFFAOYSA-N 0 0 343.434 4.087 10 0 EIAERN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCSc3c(F)cccc32)o1 ZINC000119440020 221321454 /nfs/dbraw/zinc/32/14/54/221321454.db2.gz YXAULBKKZWNJIW-SMDDNHRTSA-N 0 0 334.416 4.324 10 0 EIAERN CC(C)(C)OC(=O)N1Cc2ccc(Br)cc2C2(CC2)C1 ZINC000216051332 534865663 /nfs/dbraw/zinc/86/56/63/534865663.db2.gz CQNXYAZGLRIALR-UHFFFAOYSA-N 0 0 338.245 4.231 10 0 EIAERN CC(=O)Nc1cccc(Oc2cc(Nc3ccccc3)c(N)cn2)c1 ZINC000166257564 527076987 /nfs/dbraw/zinc/07/69/87/527076987.db2.gz UUIBLSXJXHLVRN-UHFFFAOYSA-N 0 0 334.379 4.158 10 0 EIAERN CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cccc(Cl)n1 ZINC000669371081 564084035 /nfs/dbraw/zinc/08/40/35/564084035.db2.gz YAOIKNCWMQZUKS-UHFFFAOYSA-N 0 0 328.796 4.412 10 0 EIAERN CCc1cc(C(F)F)nc2cc(I)ccc12 ZINC000669371975 568420398 /nfs/dbraw/zinc/42/03/98/568420398.db2.gz DYSDUGSOHXNGIM-UHFFFAOYSA-N 0 0 333.119 4.339 10 0 EIAERN C[C@H](Cc1ccc2c(c1)OCO2)[C@@H](C)Cc1ccc2c(c1)OCO2 ZINC000014860239 560227271 /nfs/dbraw/zinc/22/72/71/560227271.db2.gz QEFJURUMSHPMTC-OKILXGFUSA-N 0 0 326.392 4.201 10 0 biogenic,in-vitro EIAERN O=C(NCc1cccnc1-c1ccccc1)Nc1ccc(F)cc1F ZINC000064755980 563677869 /nfs/dbraw/zinc/67/78/69/563677869.db2.gz QHTVSGQRJUCHNU-UHFFFAOYSA-N 0 0 339.345 4.349 10 0 EIAERN Nc1cc(O)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000034574338 563919384 /nfs/dbraw/zinc/91/93/84/563919384.db2.gz YEMGDMMNWKZAAS-UHFFFAOYSA-N 0 0 331.586 4.187 10 0 EIAERN O=C(CCC(=O)c1ccc(Br)cc1)c1ccc(F)cc1 ZINC000085347827 563973762 /nfs/dbraw/zinc/97/37/62/563973762.db2.gz XKSKXOBKOCEVIG-UHFFFAOYSA-N 0 0 335.172 4.434 10 0 EIAERN CC(C)n1cncc1-c1ccc(Cn2ccc(C(F)(F)F)n2)cc1 ZINC000725245451 563975969 /nfs/dbraw/zinc/97/59/69/563975969.db2.gz HOUOHMMDYBTRAK-UHFFFAOYSA-N 0 0 334.345 4.395 10 0 EIAERN COC(=O)c1c(N)c(-c2nc(-c3ccccc3)cs2)c2ccccn21 ZINC000257173156 563984236 /nfs/dbraw/zinc/98/42/36/563984236.db2.gz FAJPYKRHKFVIRH-UHFFFAOYSA-N 0 0 349.415 4.099 10 0 EIAERN CN(C(=O)c1coc(=O)c2ccccc12)c1cccc(C(F)(F)F)c1 ZINC000000211742 563988628 /nfs/dbraw/zinc/98/86/28/563988628.db2.gz CNHHSJULLJRXJY-UHFFFAOYSA-N 0 0 347.292 4.088 10 0 EIAERN COc1ccc(Nc2[nH]c(=S)nc3cc(OC)c(OC)cc32)cc1 ZINC000000429306 563999164 /nfs/dbraw/zinc/99/91/64/563999164.db2.gz UZNZJIIALUNIOR-UHFFFAOYSA-N 0 0 343.408 4.062 10 0 EIAERN CCCCOc1ccc(-c2nnc([C@H]3CCCCO3)o2)cc1OC ZINC000521393898 564090870 /nfs/dbraw/zinc/09/08/70/564090870.db2.gz NETPHCUVIYSNFV-OAHLLOKOSA-N 0 0 332.400 4.166 10 0 EIAERN Cc1cccc2c1cnn2C(=O)Nc1cccc(Br)c1 ZINC000006768809 564112513 /nfs/dbraw/zinc/11/25/13/564112513.db2.gz CINFOVBKYWSZSO-UHFFFAOYSA-N 0 0 330.185 4.187 10 0 EIAERN Cc1ccccc1-c1c(I)n[nH]c1C(C)C ZINC000675076597 564113368 /nfs/dbraw/zinc/11/33/68/564113368.db2.gz PIOVUVVVEXHIAH-UHFFFAOYSA-N 0 0 326.181 4.113 10 0 EIAERN CC1CCN(c2ccc(N)cc2NC(=O)c2ccc(Cl)cc2)CC1 ZINC000220829248 564116287 /nfs/dbraw/zinc/11/62/87/564116287.db2.gz BGBROHIDRTXSME-UHFFFAOYSA-N 0 0 343.858 4.411 10 0 EIAERN CC1CCN(c2ccc(N)cc2NC(=O)c2ccccc2Cl)CC1 ZINC000226254590 564117263 /nfs/dbraw/zinc/11/72/63/564117263.db2.gz ABRKHWVTHYBTCK-UHFFFAOYSA-N 0 0 343.858 4.411 10 0 EIAERN CCN(C(=O)C(F)(F)F)c1ccc(N2CCCC[C@@H]2C)c(C)c1 ZINC000226284821 564117292 /nfs/dbraw/zinc/11/72/92/564117292.db2.gz SKZCNVJRRBSYFK-ZDUSSCGKSA-N 0 0 328.378 4.289 10 0 EIAERN CCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2ccccc12 ZINC000048523572 564129299 /nfs/dbraw/zinc/12/92/99/564129299.db2.gz ZOYZKNRJHFMVDV-UHFFFAOYSA-N 0 0 327.767 4.000 10 0 EIAERN CC(C)(C)OC(=O)N1CCC2(CC1)OCCc1cc(Cl)sc12 ZINC000095627729 564129478 /nfs/dbraw/zinc/12/94/78/564129478.db2.gz PEWMVDIBIRMSAC-UHFFFAOYSA-N 0 0 343.876 4.200 10 0 EIAERN O=C(N[C@@H](c1cc2ccccc2o1)c1cccnc1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000253370366 564130348 /nfs/dbraw/zinc/13/03/48/564130348.db2.gz PYDLKGUXYSJLST-GIYDNNGJSA-N 0 0 332.403 4.080 10 0 EIAERN C[C@H](C(=O)N1CCCCC1)n1nc(-c2ccccc2)c2ccccc21 ZINC000013369634 564136327 /nfs/dbraw/zinc/13/63/27/564136327.db2.gz JHUWLMUSRGTLRF-MRXNPFEDSA-N 0 0 333.435 4.277 10 0 EIAERN CC(C)[C@H](NC(=O)CCc1ccccc1)c1nc(-c2ccccc2)no1 ZINC000096277263 564146287 /nfs/dbraw/zinc/14/62/87/564146287.db2.gz XBAACKXIOFUYKH-IBGZPJMESA-N 0 0 349.434 4.183 10 0 EIAERN CC[C@H](C)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 ZINC000685961996 564177256 /nfs/dbraw/zinc/17/72/56/564177256.db2.gz QWTAXGQEOINPFL-YQQAZPJKSA-N 0 0 349.471 4.100 10 0 EIAERN COc1ccc(NC(=O)N2C[C@H](c3ccc(OC)cc3)C[C@@H]2C)cc1 ZINC000120805061 1032446672 /nfs/dbraw/zinc/44/66/72/1032446672.db2.gz SZPMRVVOACRACC-GOEBONIOSA-N 0 0 340.423 4.114 10 0 EIAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000114511262 1022177063 /nfs/dbraw/zinc/17/70/63/1022177063.db2.gz VMXAZQYCLUTZOA-MRXNPFEDSA-N 0 0 346.862 4.368 10 0 EIAERN CCC1CCC(NC(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC000119151626 1022402341 /nfs/dbraw/zinc/40/23/41/1022402341.db2.gz ZAQBSLBWNDRDRH-AWRGBYNESA-N 0 0 330.472 4.175 10 0 EIAERN CCC1CCC(NC(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC000119151727 1022403295 /nfs/dbraw/zinc/40/32/95/1022403295.db2.gz ZAQBSLBWNDRDRH-FYOYPEGLSA-N 0 0 330.472 4.175 10 0 EIAERN Cc1csc(C2CCN(C(=O)c3ccnc4ccccc43)CC2)n1 ZINC000102646548 1022592572 /nfs/dbraw/zinc/59/25/72/1022592572.db2.gz ZVDZJLDLBRQOST-UHFFFAOYSA-N 0 0 337.448 4.020 10 0 EIAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cc2cc(C)ccc2o1 ZINC000109669042 1023172071 /nfs/dbraw/zinc/17/20/71/1023172071.db2.gz CIPGGSWYQLCUNV-MRXNPFEDSA-N 0 0 337.423 4.069 10 0 EIAERN Cc1ccc(NC(=O)N2CC[C@H](C)C[C@@H](C)C2)cc1C(=O)NC(C)C ZINC000123112521 1026689066 /nfs/dbraw/zinc/68/90/66/1026689066.db2.gz TZUJINXMFWJUJA-LSDHHAIUSA-N 0 0 345.487 4.033 10 0 EIAERN C[C@H](NC(=O)N1CCC(c2c[nH]c3ccccc32)CC1)c1ccncc1 ZINC000075531612 1027043891 /nfs/dbraw/zinc/04/38/91/1027043891.db2.gz FDPOQZYRWUUMRX-HNNXBMFYSA-N 0 0 348.450 4.213 10 0 EIAERN CCCOc1cccc(NC(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000114808156 1029619054 /nfs/dbraw/zinc/61/90/54/1029619054.db2.gz ADIFYOGOJLPSAM-AWEZNQCLSA-N 0 0 345.468 4.343 10 0 EIAERN Cc1cc(C(=O)Nc2cccc(-c3noc(C)n3)c2)c(C)n1C1CC1 ZINC000064330413 1030665544 /nfs/dbraw/zinc/66/55/44/1030665544.db2.gz GSUQFCSXSJNHQC-UHFFFAOYSA-N 0 0 336.395 4.051 10 0 EIAERN CC[C@@H](NC(=O)N1CC=C(c2cccs2)CC1)c1nc(C)cs1 ZINC000118072596 1031345129 /nfs/dbraw/zinc/34/51/29/1031345129.db2.gz MHEZUMZOCYUEKF-CQSZACIVSA-N 0 0 347.509 4.463 10 0 EIAERN CCC(CC)C(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113219674 1031358831 /nfs/dbraw/zinc/35/88/31/1031358831.db2.gz YUGHRKZXHNUCOJ-KRWDZBQOSA-N 0 0 325.456 4.219 10 0 EIAERN O[C@@H](c1ccc(F)cc1)C1CCN(c2nc3cc(F)ccc3o2)CC1 ZINC000114449897 1031368473 /nfs/dbraw/zinc/36/84/73/1031368473.db2.gz ZGXZXJOTLNFXNJ-SFHVURJKSA-N 0 0 344.361 4.056 10 0 EIAERN Cc1cc(C(=O)N2CCCC[C@H]2c2nccs2)c(C)n1C1CC1 ZINC000115366946 1031381787 /nfs/dbraw/zinc/38/17/87/1031381787.db2.gz NZRXHQCCUSUAIM-INIZCTEOSA-N 0 0 329.469 4.264 10 0 EIAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)OCc1cnc(-c2cccs2)o1 ZINC000124702461 1031548374 /nfs/dbraw/zinc/54/83/74/1031548374.db2.gz WFDZCOAIANRYQT-BZNIZROVSA-N 0 0 341.388 4.011 10 0 EIAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2C[C@@H](C)[C@H]2c2ccccc2)n1 ZINC000120031603 1032013648 /nfs/dbraw/zinc/01/36/48/1032013648.db2.gz ZADNZWAEVPFICL-DYVFJYSZSA-N 0 0 347.409 4.310 10 0 EIAERN Cc1cc(O)c(C(C)C)cc1NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000088464974 1038958672 /nfs/dbraw/zinc/95/86/72/1038958672.db2.gz SJFCMQUPPVTHNY-ORAYPTAESA-N 0 0 325.408 4.327 10 0 EIAERN Cc1ccc([C@@H]2CN(C(=O)c3cccc(-c4ccoc4)c3)CCO2)o1 ZINC000089868174 1039123163 /nfs/dbraw/zinc/12/31/63/1039123163.db2.gz JEYBBSGJJKORQY-IBGZPJMESA-N 0 0 337.375 4.062 10 0 EIAERN O=C(C[C@@H](O)c1ccccc1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000091443630 1039368512 /nfs/dbraw/zinc/36/85/12/1039368512.db2.gz QTULSQJEMPYZEH-LEWJYISDSA-N 0 0 348.446 4.345 10 0 EIAERN O=C(CC1CCCC1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218654 1043287090 /nfs/dbraw/zinc/28/70/90/1043287090.db2.gz UTSREZGMAYITMH-SFHVURJKSA-N 0 0 337.467 4.363 10 0 EIAERN Cc1cccc(CSCC(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000067046664 1045737603 /nfs/dbraw/zinc/73/76/03/1045737603.db2.gz JDFMZBJDAXTKBX-INIZCTEOSA-N 0 0 346.521 4.091 10 0 EIAERN Cc1ccc(C(C)(C)C(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000067048350 1045739751 /nfs/dbraw/zinc/73/97/51/1045739751.db2.gz GMDBMFCRTHETLI-OAHLLOKOSA-N 0 0 328.481 4.135 10 0 EIAERN CC[C@H](NC(=O)N1CC[C@@H](Nc2ccccc2)C1)c1cccs1 ZINC000067631403 1045744920 /nfs/dbraw/zinc/74/49/20/1045744920.db2.gz MNHHPSOIGZCUQX-CVEARBPZSA-N 0 0 329.469 4.095 10 0 EIAERN Cc1c(F)cccc1NC(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000072599743 1045791639 /nfs/dbraw/zinc/79/16/39/1045791639.db2.gz OHKUEKUFYQJDCS-UHFFFAOYSA-N 0 0 345.393 4.382 10 0 EIAERN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)N[C@@H](C)c2ccncc2)o1 ZINC000073487691 1045805079 /nfs/dbraw/zinc/80/50/79/1045805079.db2.gz BQDOPFKYOYXFPH-KMFMINBZSA-N 0 0 327.428 4.227 10 0 EIAERN CCO[C@@H](C)c1nc(CN2CCC(Oc3ccccc3)CC2)cs1 ZINC000076722231 1045907530 /nfs/dbraw/zinc/90/75/30/1045907530.db2.gz CPAARBISBJNPRO-HNNXBMFYSA-N 0 0 346.496 4.284 10 0 EIAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccc4ncccc4c3)C2)cc1 ZINC000078187048 1046009534 /nfs/dbraw/zinc/00/95/34/1046009534.db2.gz ZLYUIJGQZSMEBO-BEFAXECRSA-N 0 0 346.430 4.262 10 0 EIAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)CCc3cccs3)C2)cc1 ZINC000078188120 1046009608 /nfs/dbraw/zinc/00/96/08/1046009608.db2.gz WXOIABLYUMANIL-GDBMZVCRSA-N 0 0 329.465 4.094 10 0 EIAERN COc1ccc(Br)cc1C[C@H](O)c1ccccc1Cl ZINC000050438738 214057349 /nfs/dbraw/zinc/05/73/49/214057349.db2.gz OAYGVPTZMJWREJ-AWEZNQCLSA-N 0 0 341.632 4.387 10 0 EIAERN COc1ccc(Cl)cc1C[C@H](O)c1ccc(Br)cc1 ZINC000053781688 214198175 /nfs/dbraw/zinc/19/81/75/214198175.db2.gz LJAMXEHQLZLQSU-AWEZNQCLSA-N 0 0 341.632 4.387 10 0 EIAERN O[C@@H](Cc1ccc(F)cc1Br)c1cc(F)cc(F)c1 ZINC000053786331 214198663 /nfs/dbraw/zinc/19/86/63/214198663.db2.gz WTLUDRQEWLMBPI-AWEZNQCLSA-N 0 0 331.131 4.143 10 0 EIAERN O=C([O-])[C@@H](c1ccccc1)[C@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000053995093 214210152 /nfs/dbraw/zinc/21/01/52/214210152.db2.gz YJLVZOJFKPDFMJ-LEWJYISDSA-N 0 0 331.415 4.386 10 0 EIAERN COc1ccc(Cl)cc1[C@H](O)Cc1cccc(Br)c1 ZINC000055202246 214288891 /nfs/dbraw/zinc/28/88/91/214288891.db2.gz NQAQSXOITJYWCR-CQSZACIVSA-N 0 0 341.632 4.387 10 0 EIAERN O[C@H](Cc1ccc(Br)s1)c1ccc2ccccc2n1 ZINC000063075763 214742145 /nfs/dbraw/zinc/74/21/45/214742145.db2.gz PBNZEEQZYNBJCI-CQSZACIVSA-N 0 0 334.238 4.335 10 0 EIAERN Cc1cc(=O)[nH]c2cc(NC(=O)c3ccc(Cl)cc3Cl)ccc12 ZINC000049471089 214010497 /nfs/dbraw/zinc/01/04/97/214010497.db2.gz XTAJBMZFZAAHCE-UHFFFAOYSA-N 0 0 347.201 4.396 10 0 EIAERN Fc1cccc(Cl)c1CN1CCC(c2nnc(C3CC3)o2)CC1 ZINC000049377618 214003836 /nfs/dbraw/zinc/00/38/36/214003836.db2.gz LBDAXMDQVQBRAP-UHFFFAOYSA-N 0 0 335.810 4.119 10 0 EIAERN CC(C)c1c(N)onc1C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000065168166 214835756 /nfs/dbraw/zinc/83/57/56/214835756.db2.gz DVYXQXQLYROOCN-UHFFFAOYSA-N 0 0 347.846 4.053 10 0 EIAERN Nc1ccc(Cl)cc1NC(=O)c1cc(F)ccc1Br ZINC000021963924 212266461 /nfs/dbraw/zinc/26/64/61/212266461.db2.gz USGPPGMIZBBNKG-UHFFFAOYSA-N 0 0 343.583 4.076 10 0 EIAERN COc1ccc(C2=C(c3ccc(S(C)(=O)=O)cc3)CCC2)cc1F ZINC000003814647 210077215 /nfs/dbraw/zinc/07/72/15/210077215.db2.gz PUVMDHBBUPMOJV-UHFFFAOYSA-N 0 0 346.423 4.333 10 0 EIAERN COc1c(OC(=O)c2cccs2)ccc(C)c1Br ZINC000003604981 210063120 /nfs/dbraw/zinc/06/31/20/210063120.db2.gz BZMDDSWEDFUALV-UHFFFAOYSA-N 0 0 327.199 4.047 10 0 EIAERN COc1ccc(OC)c(/C=C/C(=O)Nc2ccccc2C(C)C)c1 ZINC000003561214 210054664 /nfs/dbraw/zinc/05/46/64/210054664.db2.gz MAFAGXKYCUPKJV-FMIVXFBMSA-N 0 0 325.408 4.479 10 0 EIAERN CC(C)(C)OC(=O)N1CCC2(CC(=O)c3cccc(Cl)c32)CC1 ZINC000044136746 213610208 /nfs/dbraw/zinc/61/02/08/213610208.db2.gz PANFXZNRZCXSJU-UHFFFAOYSA-N 0 0 335.831 4.195 10 0 EIAERN C[C@H](O)c1ccccc1N(C)Cc1cc(Br)cs1 ZINC000042399903 213502491 /nfs/dbraw/zinc/50/24/91/213502491.db2.gz WTUDENNESOAFIN-JTQLQIEISA-N 0 0 326.259 4.200 10 0 EIAERN Cc1ccc(Oc2ncnc(Nc3cccnc3Cl)c2N)cc1C ZINC000040801985 213388359 /nfs/dbraw/zinc/38/83/59/213388359.db2.gz WIPGWLSQIDHXPC-UHFFFAOYSA-N 0 0 341.802 4.260 10 0 EIAERN Nc1c(Nc2cccc(C(F)(F)F)c2)ncnc1Oc1cccnc1 ZINC000040781969 213386027 /nfs/dbraw/zinc/38/60/27/213386027.db2.gz XREVJGQRIKTTHB-UHFFFAOYSA-N 0 0 347.300 4.009 10 0 EIAERN Nc1c(Nc2cccc(C(F)(F)F)c2)ncnc1NC1CCCC1 ZINC000040781986 213385814 /nfs/dbraw/zinc/38/58/14/213385814.db2.gz LCBIJFJGUDEZEF-UHFFFAOYSA-N 0 0 337.349 4.176 10 0 EIAERN Nc1c(Nc2nc3ccccc3s2)ncnc1Oc1ccccc1 ZINC000040761115 213384424 /nfs/dbraw/zinc/38/44/24/213384424.db2.gz DQUGVCAAYBBWIU-UHFFFAOYSA-N 0 0 335.392 4.204 10 0 EIAERN Nc1c(Nc2ccc(F)cc2)ncnc1Nc1ccc(Cl)cc1 ZINC000040782132 213387133 /nfs/dbraw/zinc/38/71/33/213387133.db2.gz AKJBAENNUQQBHH-UHFFFAOYSA-N 0 0 329.766 4.339 10 0 EIAERN CN(c1ccccc1)c1ncnc(Nc2cccc3cccnc32)c1N ZINC000040757686 213383453 /nfs/dbraw/zinc/38/34/53/213383453.db2.gz MOZRMYXEQFPSHU-UHFFFAOYSA-N 0 0 342.406 4.119 10 0 EIAERN Cc1cccnc1Nc1ncnc(Nc2cccc3ccccc32)c1N ZINC000040757976 213382944 /nfs/dbraw/zinc/38/29/44/213382944.db2.gz LCOGTBNEIUZYKM-UHFFFAOYSA-N 0 0 342.406 4.403 10 0 EIAERN Cc1ccnc(Nc2ncnc(Nc3cc(Cl)ccc3C)c2N)c1 ZINC000040701217 213372417 /nfs/dbraw/zinc/37/24/17/213372417.db2.gz SERQMCIKZDGJMX-UHFFFAOYSA-N 0 0 340.818 4.211 10 0 EIAERN CCc1ccc(Oc2ncnc(N3CCc4ccccc43)c2N)cc1 ZINC000040687462 213369369 /nfs/dbraw/zinc/36/93/69/213369369.db2.gz LALSBLRAJQGSPI-UHFFFAOYSA-N 0 0 332.407 4.108 10 0 EIAERN Cc1ccnc(Nc2ncnc(Nc3cccc(Cl)c3C)c2N)c1 ZINC000040701202 213371856 /nfs/dbraw/zinc/37/18/56/213371856.db2.gz IYEURCIGCYBSEE-UHFFFAOYSA-N 0 0 340.818 4.211 10 0 EIAERN Cc1ccc(C)c(Nc2ncnc(Nc3ccc(Cl)cn3)c2N)c1 ZINC000040704524 213371860 /nfs/dbraw/zinc/37/18/60/213371860.db2.gz RHHSFLGXYQQTDX-UHFFFAOYSA-N 0 0 340.818 4.211 10 0 EIAERN Cc1ccc(Nc2ncnc(Nc3ccc(Cl)cn3)c2N)cc1C ZINC000040702847 213371582 /nfs/dbraw/zinc/37/15/82/213371582.db2.gz XZTAPGRTZCBQGJ-UHFFFAOYSA-N 0 0 340.818 4.211 10 0 EIAERN CCN(c1ccccc1)c1ncnc(Nc2cccnc2Cl)c1N ZINC000040679828 213368629 /nfs/dbraw/zinc/36/86/29/213368629.db2.gz XLZFXLOBNDZOEO-UHFFFAOYSA-N 0 0 340.818 4.009 10 0 EIAERN CCN(c1cccc(C)c1)c1ncnc(N2CCc3ccccc32)c1N ZINC000040661697 213364937 /nfs/dbraw/zinc/36/49/37/213364937.db2.gz GUEGEBVIMDBTSD-UHFFFAOYSA-N 0 0 345.450 4.219 10 0 EIAERN Cc1[nH]c2ccc(C(=O)Nc3nnc(-c4ccccc4)o3)cc2c1C ZINC000040564142 213351082 /nfs/dbraw/zinc/35/10/82/213351082.db2.gz OBXZWHQABGEVLD-UHFFFAOYSA-N 0 0 332.363 4.087 10 0 EIAERN CCOc1ccc(/C=C/C(=O)Nc2ccccc2CC)cc1OC ZINC000001934740 209806464 /nfs/dbraw/zinc/80/64/64/209806464.db2.gz BNGOGZHPJRZLTG-ACCUITESSA-N 0 0 325.408 4.308 10 0 EIAERN O=C(Nc1cccc(Cl)c1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000040311933 213291539 /nfs/dbraw/zinc/29/15/39/213291539.db2.gz JGUUDAZSOIZMCY-UHFFFAOYSA-N 0 0 339.704 4.487 10 0 EIAERN CC[C@@H](Oc1ccccc1N)C(=O)c1ccc(Br)cc1 ZINC000040352982 213292476 /nfs/dbraw/zinc/29/24/76/213292476.db2.gz JWJDXVYIRFZPLW-CQSZACIVSA-N 0 0 334.213 4.072 10 0 EIAERN CCC(=O)NCc1nc2ccccc2n1Cc1c(C)c(C)cc(C)c1C ZINC000040274374 213287293 /nfs/dbraw/zinc/28/72/93/213287293.db2.gz WZFRHXBUVKKVLZ-UHFFFAOYSA-N 0 0 349.478 4.344 10 0 EIAERN Cc1cc(C)c(Cn2c(CNC(=O)C(C)C)nc3ccccc32)c(C)c1 ZINC000040274692 213286828 /nfs/dbraw/zinc/28/68/28/213286828.db2.gz GCXIRRACOGVJTH-UHFFFAOYSA-N 0 0 349.478 4.282 10 0 EIAERN COc1ccc([C@@H](O)c2ccccc2Cl)cc1Br ZINC000040241347 213285196 /nfs/dbraw/zinc/28/51/96/213285196.db2.gz CJNGSPSEZLAPDS-CQSZACIVSA-N 0 0 327.605 4.193 10 0 EIAERN Cc1ccc(-c2nc3ccccc3n2CC(=O)N2CCCCCC2)cc1 ZINC000040249369 213285245 /nfs/dbraw/zinc/28/52/45/213285245.db2.gz UIANEPFNFHLUQK-UHFFFAOYSA-N 0 0 347.462 4.414 10 0 EIAERN C=CC(=O)NCCCCCc1nc2ccccc2n1CCCCC ZINC000040219572 213282986 /nfs/dbraw/zinc/28/29/86/213282986.db2.gz GPLRLLHXCPQJIY-UHFFFAOYSA-N 0 0 327.472 4.242 10 0 EIAERN CN(C(=O)Cn1c2ccccc2nc1-c1cccs1)c1ccccc1 ZINC000040239185 213283899 /nfs/dbraw/zinc/28/38/99/213283899.db2.gz WLWDDXSBXIXIQK-UHFFFAOYSA-N 0 0 347.443 4.428 10 0 EIAERN Cc1c(C(=O)Nc2ccc(Cl)cc2)nnn1-c1ccc(Cl)cc1 ZINC000040179324 213280834 /nfs/dbraw/zinc/28/08/34/213280834.db2.gz LZKZZWNROHVXLW-UHFFFAOYSA-N 0 0 347.205 4.135 10 0 EIAERN CC(C)CCn1c(CCNC(=O)c2cccs2)nc2ccccc21 ZINC000040199132 213280924 /nfs/dbraw/zinc/28/09/24/213280924.db2.gz ZSDMBFMLGQCNAS-UHFFFAOYSA-N 0 0 341.480 4.116 10 0 EIAERN CCc1nnc(NC(=O)c2ccc(Oc3cccc(C)c3)cc2)s1 ZINC000040178946 213279229 /nfs/dbraw/zinc/27/92/29/213279229.db2.gz KAVIQWBAZHKUQU-UHFFFAOYSA-N 0 0 339.420 4.454 10 0 EIAERN COc1cccc(OC)c1C(=O)Oc1ccc(Cl)c2cccnc12 ZINC000040165892 213278660 /nfs/dbraw/zinc/27/86/60/213278660.db2.gz YPDXCRZBJGAZRN-UHFFFAOYSA-N 0 0 343.766 4.125 10 0 EIAERN O=C(CO)O[C@H](c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000039953603 213244749 /nfs/dbraw/zinc/24/47/49/213244749.db2.gz WANIPQZJCHNUFK-JOCHJYFZSA-N 0 0 332.399 4.095 10 0 EIAERN CCCC[C@H]1CN(Cc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000038884856 213229611 /nfs/dbraw/zinc/22/96/11/213229611.db2.gz CAZKCKFKFDXMBY-SFHVURJKSA-N 0 0 332.488 4.298 10 0 EIAERN Cc1nccc(CN[C@@H](C)c2cc3cc(Br)ccc3o2)n1 ZINC000038037347 213195472 /nfs/dbraw/zinc/19/54/72/213195472.db2.gz UTHYRCZEFJHMPF-JTQLQIEISA-N 0 0 346.228 4.145 10 0 EIAERN NC(=S)c1ccc(OCCOc2ccc(Cl)c(Cl)c2)cc1 ZINC000038001448 213186169 /nfs/dbraw/zinc/18/61/69/213186169.db2.gz KCBFLALNTQBFJD-UHFFFAOYSA-N 0 0 342.247 4.085 10 0 EIAERN C[C@H](C1CC1)N(CC(F)(F)F)C(=O)c1cc(Cl)nc(Cl)c1 ZINC000037980471 213181299 /nfs/dbraw/zinc/18/12/99/213181299.db2.gz DVNSOHSVBKNXJV-SSDOTTSWSA-N 0 0 341.160 4.191 10 0 EIAERN Cc1nn(C(C)C)c(C)c1NC(=O)c1csc(Br)c1 ZINC000037791144 213167586 /nfs/dbraw/zinc/16/75/86/213167586.db2.gz AXQREXNQRUDLSR-UHFFFAOYSA-N 0 0 342.262 4.157 10 0 EIAERN O=C(c1ccccc1F)N1CCn2cccc2[C@@H]1c1ccccc1F ZINC000037421904 213147048 /nfs/dbraw/zinc/14/70/48/213147048.db2.gz ZLEHUDIYZDGYIA-IBGZPJMESA-N 0 0 338.357 4.012 10 0 EIAERN CCCn1cccc1C(=O)Nc1ccc(F)cc1Br ZINC000036855919 213123772 /nfs/dbraw/zinc/12/37/72/213123772.db2.gz MAUIRSISUYJXOZ-UHFFFAOYSA-N 0 0 325.181 4.052 10 0 EIAERN CCC(=O)Nc1nc(C)c(Cc2ccc(Br)cc2)s1 ZINC000036639180 213106557 /nfs/dbraw/zinc/10/65/57/213106557.db2.gz PTYJEZGDIYAVNH-UHFFFAOYSA-N 0 0 339.258 4.153 10 0 EIAERN CCC(=O)Nc1nc(C)c(Cc2cccc(C(F)(F)F)c2)s1 ZINC000036639169 213106252 /nfs/dbraw/zinc/10/62/52/213106252.db2.gz HXJNIKKPIYYHKT-UHFFFAOYSA-N 0 0 328.359 4.410 10 0 EIAERN Cc1c(C(=O)Oc2ccc(Cl)cc2)nnn1-c1cc(C)ccc1C ZINC000036639092 213106310 /nfs/dbraw/zinc/10/63/10/213106310.db2.gz UQYNJRWLYVJCRY-UHFFFAOYSA-N 0 0 341.798 4.065 10 0 EIAERN CN(Cc1ccccc1)C(=O)c1cncc(-c2cc(F)ccc2F)c1 ZINC000036349011 213085877 /nfs/dbraw/zinc/08/58/77/213085877.db2.gz YKNVBMAAUIMKQT-UHFFFAOYSA-N 0 0 338.357 4.299 10 0 EIAERN CCC(=O)N(Cc1csc(COc2ccccc2)n1)CC(C)C ZINC000036114406 213069798 /nfs/dbraw/zinc/06/97/98/213069798.db2.gz VAJRORAKGNMEJE-UHFFFAOYSA-N 0 0 332.469 4.117 10 0 EIAERN C[C@@H](Nc1nc2cc(Br)ccc2s1)[C@H]1CCCO1 ZINC000035736362 213047196 /nfs/dbraw/zinc/04/71/96/213047196.db2.gz QNLZRVGGNKIVQQ-LDYMZIIASA-N 0 0 327.247 4.038 10 0 EIAERN CCN[C@@H](c1ccoc1)c1cc(Cl)cc(Br)c1OC ZINC000035509677 213033683 /nfs/dbraw/zinc/03/36/83/213033683.db2.gz KQPNXOYVLSAECJ-ZDUSSCGKSA-N 0 0 344.636 4.403 10 0 EIAERN CCCn1c2ccc(NC(=O)Nc3ccccc3CC)cc2oc1=O ZINC000035506311 213033153 /nfs/dbraw/zinc/03/31/53/213033153.db2.gz DAVUYEXRYPHALW-UHFFFAOYSA-N 0 0 339.395 4.211 10 0 EIAERN CN[C@@H](c1ccc(F)c(F)c1)c1ccc(F)cc1Br ZINC000035494755 213031921 /nfs/dbraw/zinc/03/19/21/213031921.db2.gz ZLWSKRZXBOWUKX-AWEZNQCLSA-N 0 0 330.147 4.175 10 0 EIAERN Cc1ccc(OCC(=O)c2ccc(Br)s2)c(C)c1 ZINC000035181836 213013509 /nfs/dbraw/zinc/01/35/09/213013509.db2.gz GLGQBUUZMHMTOF-UHFFFAOYSA-N 0 0 325.227 4.389 10 0 EIAERN COc1ccc2c(ccc(Br)c2CO)c1C(F)(F)F ZINC000034610635 212979579 /nfs/dbraw/zinc/97/95/79/212979579.db2.gz AGCYPXXCHXIDCG-UHFFFAOYSA-N 0 0 335.119 4.122 10 0 EIAERN CCCOc1ccc(/C=C\C(=O)NCc2ccc(C)cc2)cc1OC ZINC000033367285 212931632 /nfs/dbraw/zinc/93/16/32/212931632.db2.gz PMZKRWSFIYLTDP-BENRWUELSA-N 0 0 339.435 4.122 10 0 EIAERN CC(C)c1ccc(CNC(=O)/C=C\c2nc3ccccc3n2C)cc1 ZINC000033304756 212919742 /nfs/dbraw/zinc/91/97/42/212919742.db2.gz CWCNHLXTORBDPU-SEYXRHQNSA-N 0 0 333.435 4.026 10 0 EIAERN COc1ccc(OCCCn2c(=O)cc(C)c3cccc(C)c32)cc1 ZINC000032530563 212808670 /nfs/dbraw/zinc/80/86/70/212808670.db2.gz ISVXBONIOOLMAU-UHFFFAOYSA-N 0 0 337.419 4.096 10 0 EIAERN Cn1ccnc1CNc1c(Cl)cc(Br)cc1Cl ZINC000036896248 213125781 /nfs/dbraw/zinc/12/57/81/213125781.db2.gz QBJUGYUOQHTSAP-UHFFFAOYSA-N 0 0 335.032 4.102 10 0 EIAERN Cc1ccccc1NC(=O)c1c(C)n(-c2ccccc2C)c(C)cc1=O ZINC000028766038 212635029 /nfs/dbraw/zinc/63/50/29/212635029.db2.gz ICLFPRRHSFSIOF-UHFFFAOYSA-N 0 0 346.430 4.323 10 0 EIAERN C[C@H](Nc1ccc(Br)c(C(F)(F)F)c1)c1cc[nH]n1 ZINC000037907323 213172714 /nfs/dbraw/zinc/17/27/14/213172714.db2.gz ZWUHRUMZMVIWJJ-ZETCQYMHSA-N 0 0 334.139 4.364 10 0 EIAERN CCOCc1ccccc1NC(=O)c1csc(Br)c1 ZINC000037844187 213169563 /nfs/dbraw/zinc/16/95/63/213169563.db2.gz SWTYSZXQDFMFBI-UHFFFAOYSA-N 0 0 340.242 4.299 10 0 EIAERN COCc1nn2c(ncc3c2CCCC3)c1-c1ccc(Cl)cc1 ZINC000072451681 216239325 /nfs/dbraw/zinc/23/93/25/216239325.db2.gz NNJOMOKQBDGKMP-UHFFFAOYSA-N 0 0 327.815 4.075 10 0 EIAERN CCc1nn2cc3c(nc2c1-c1ccc(OC)cc1)CC(C)(C)CC3=O ZINC000072464057 216246500 /nfs/dbraw/zinc/24/65/00/216246500.db2.gz VJRASWTWZMRZOQ-UHFFFAOYSA-N 0 0 349.434 4.122 10 0 EIAERN Cc1ccc(NC(=O)Cc2csc(-c3ccc(F)cc3)n2)cc1 ZINC000023119704 212349364 /nfs/dbraw/zinc/34/93/64/212349364.db2.gz OBPGJZHSZKEUHD-UHFFFAOYSA-N 0 0 326.396 4.439 10 0 EIAERN Nc1ncc(Cc2c(Cl)cc(Br)cc2Cl)s1 ZINC000022151198 212279909 /nfs/dbraw/zinc/27/99/09/212279909.db2.gz CRDULIDSDHIKGP-UHFFFAOYSA-N 0 0 338.057 4.385 10 0 EIAERN COC(=O)CC1CCC2(CCc3cc(Br)ccc32)CC1 ZINC000212419654 241088155 /nfs/dbraw/zinc/08/81/55/241088155.db2.gz HTNQDRBMDLSSBE-UHFFFAOYSA-N 0 0 337.257 4.386 10 0 in-vitro EIAERN O=C(CSc1ccc(Cl)cc1)n1nnc2cc(Cl)ccc21 ZINC000226359662 242100542 /nfs/dbraw/zinc/10/05/42/242100542.db2.gz HSKNNEVKVMGLHX-UHFFFAOYSA-N 0 0 338.219 4.171 10 0 EIAERN Cc1c(-c2nsc(Nc3ccc(C)cc3)n2)nnn1-c1ccccc1 ZINC000021658039 212237978 /nfs/dbraw/zinc/23/79/78/212237978.db2.gz XNWWAPDLZJWXSS-UHFFFAOYSA-N 0 0 348.435 4.146 10 0 EIAERN COc1cc(CO)cc(CSC)c1OCc1ccccc1Cl ZINC000226288348 242094873 /nfs/dbraw/zinc/09/48/73/242094873.db2.gz FGGUJXLFNSIQPU-UHFFFAOYSA-N 0 0 338.856 4.283 10 0 EIAERN C[C@H]1C[C@H](C)CN(C(=O)c2ccc(-c3ccc(Cl)cc3N)o2)C1 ZINC000226301392 242096003 /nfs/dbraw/zinc/09/60/03/242096003.db2.gz DGOYBGXXWSKNPS-RYUDHWBXSA-N 0 0 332.831 4.300 10 0 EIAERN CCc1cc(N)ccc1NC(=O)c1cc(Cl)c(OC)c(Cl)c1 ZINC000226318145 242097650 /nfs/dbraw/zinc/09/76/50/242097650.db2.gz SWIDUDZNEJNADN-UHFFFAOYSA-N 0 0 339.222 4.399 10 0 EIAERN COc1cc2ccccc2cc1C(=O)Nc1ccc2nc(N)sc2c1 ZINC000226314195 242098057 /nfs/dbraw/zinc/09/80/57/242098057.db2.gz AWVGCDCCIYGMCZ-UHFFFAOYSA-N 0 0 349.415 4.293 10 0 EIAERN CCOc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(O)c1 ZINC000021025765 212200965 /nfs/dbraw/zinc/20/09/65/212200965.db2.gz YJYVIIJLUOGHSH-UHFFFAOYSA-N 0 0 326.179 4.350 10 0 EIAERN Cc1ccccc1-c1noc(-c2ccc(NCc3ccccn3)nc2)n1 ZINC000020601610 212151431 /nfs/dbraw/zinc/15/14/31/212151431.db2.gz NAXKQKFFUOIMNO-UHFFFAOYSA-N 0 0 343.390 4.114 10 0 EIAERN FC(F)(F)c1c(Br)cnn1-c1cccc(Cl)c1 ZINC000020593945 212150183 /nfs/dbraw/zinc/15/01/83/212150183.db2.gz LCPNNWBUOLGLHG-UHFFFAOYSA-N 0 0 325.515 4.307 10 0 EIAERN O=C1S/C(=C\c2cccc(F)c2)C(=O)N1Cc1ccccc1F ZINC000020495002 212140543 /nfs/dbraw/zinc/14/05/43/212140543.db2.gz JOHZLRUPSNOEHB-DHDCSXOGSA-N 0 0 331.343 4.201 10 0 EIAERN c1c2ccccc2oc1-c1cc(N2CCOCC2)c2ccccc2n1 ZINC000253495290 244003479 /nfs/dbraw/zinc/00/34/79/244003479.db2.gz VCUYATQNUAJBPK-UHFFFAOYSA-N 0 0 330.387 4.485 10 0 EIAERN Cc1ccc(C(=O)Nc2c(C)cc(Br)cc2C)cc1O ZINC000020045872 212098028 /nfs/dbraw/zinc/09/80/28/212098028.db2.gz PKYNLBVFQYLFAL-UHFFFAOYSA-N 0 0 334.213 4.332 10 0 EIAERN CCOc1cc(CNc2ccc(Br)cc2F)ccc1O ZINC000019907950 212081871 /nfs/dbraw/zinc/08/18/71/212081871.db2.gz RDASRCSBMGBPNZ-UHFFFAOYSA-N 0 0 340.192 4.305 10 0 EIAERN CCOc1cc(CNc2ccc(C)cc2Br)ccc1O ZINC000019901559 212080953 /nfs/dbraw/zinc/08/09/53/212080953.db2.gz PODNTCLVLUZJSO-UHFFFAOYSA-N 0 0 336.229 4.474 10 0 EIAERN C[C@H]1[C@H](NC(=O)c2cc(Br)ccc2F)CCC[C@@H]1C ZINC000019806821 212071396 /nfs/dbraw/zinc/07/13/96/212071396.db2.gz WZMSWIHIBRSWQU-IMSIIYSGSA-N 0 0 328.225 4.143 10 0 EIAERN C[C@H](O)c1ccccc1N(C)Cc1csc(Br)c1 ZINC000042362986 213498214 /nfs/dbraw/zinc/49/82/14/213498214.db2.gz QHABQDPYCYPHEL-JTQLQIEISA-N 0 0 326.259 4.200 10 0 EIAERN FC(F)(F)COCCCNc1ccc(Br)cc1Cl ZINC000049312287 214000157 /nfs/dbraw/zinc/00/01/57/214000157.db2.gz LUAFRZYZMNTTAD-UHFFFAOYSA-N 0 0 346.574 4.483 10 0 EIAERN Cc1csc(CNc2nc3cc(Br)ccc3s2)n1 ZINC000049534240 214015397 /nfs/dbraw/zinc/01/53/97/214015397.db2.gz DLIQJENTNBOQJR-UHFFFAOYSA-N 0 0 340.271 4.436 10 0 EIAERN CC(C)C[C@H](C)N(C)C(=O)c1cc(Br)cnc1Cl ZINC000050045364 214042402 /nfs/dbraw/zinc/04/24/02/214042402.db2.gz CDMJCDGXXLBHTQ-VIFPVBQESA-N 0 0 333.657 4.004 10 0 EIAERN Fc1ccc(Oc2cc3n[nH]cc3c(Br)c2)c(F)c1 ZINC000089196398 217774615 /nfs/dbraw/zinc/77/46/15/217774615.db2.gz BGOYJADPEUFJMM-UHFFFAOYSA-N 0 0 325.112 4.396 10 0 EIAERN Cc1ccc(NC(=S)NC(=O)C=Cc2ccc(F)cc2)cc1Cl ZINC000012403302 211368683 /nfs/dbraw/zinc/36/86/83/211368683.db2.gz ZQFYQXKJCFMBKV-WEVVVXLNSA-N 0 0 348.830 4.314 10 0 EIAERN O=C(c1ccccc1Cl)[C@H](O)c1ccc(Br)s1 ZINC000090549755 217938675 /nfs/dbraw/zinc/93/86/75/217938675.db2.gz ZIIZDLCHBUOWCN-GFCCVEGCSA-N 0 0 331.618 4.080 10 0 EIAERN COCc1cc(OC)c2c(OCc3ccccc3)ccc(C=O)c2c1 ZINC000090555978 217940151 /nfs/dbraw/zinc/94/01/51/217940151.db2.gz YUNUEGGUDNXTGS-UHFFFAOYSA-N 0 0 336.387 4.386 10 0 EIAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CCCOCc1ccncc1 ZINC000095086298 218277340 /nfs/dbraw/zinc/27/73/40/218277340.db2.gz UHIXUSBBUYPUDF-QGZVFWFLSA-N 0 0 334.460 4.168 10 0 EIAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CCCOc1nccs1 ZINC000095086246 218277443 /nfs/dbraw/zinc/27/74/43/218277443.db2.gz CJJFSQILTJJGTK-CYBMUJFWSA-N 0 0 326.462 4.092 10 0 EIAERN C[C@@H](OCC[C@H]1CCCCN1C(=O)OC(C)(C)C)c1nccs1 ZINC000095089462 218279601 /nfs/dbraw/zinc/27/96/01/218279601.db2.gz BBLUXQIAKPAKGC-ZIAGYGMSSA-N 0 0 340.489 4.400 10 0 EIAERN COc1ccc(N2C(=O)[C@H]3CC=CC=C3N[C@H]2c2ccc(C)cc2)cc1 ZINC000095934903 218451219 /nfs/dbraw/zinc/45/12/19/218451219.db2.gz DJVPIJKMBBCFBN-PZJWPPBQSA-N 0 0 346.430 4.099 10 0 EIAERN Brc1ccc([C@@H](Cn2ccnc2)c2ccccc2)cc1 ZINC000005117397 210393699 /nfs/dbraw/zinc/39/36/99/210393699.db2.gz MLHFXOOXBZMGSH-KRWDZBQOSA-N 0 0 327.225 4.478 10 0 in-man EIAERN Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CCSc3c(F)cccc32)o1 ZINC000119439892 221321131 /nfs/dbraw/zinc/32/11/31/221321131.db2.gz YXAULBKKZWNJIW-BXUZGUMPSA-N 0 0 334.416 4.324 10 0 EIAERN CCc1ccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)c(N)c2)cc1 ZINC000226265953 135593373 /nfs/dbraw/zinc/59/33/73/135593373.db2.gz VNYUKQWNMGSTDQ-HNNXBMFYSA-N 0 0 337.467 4.462 10 0 EIAERN CCOC(=O)c1nc2ccc(Br)cc2c(Cl)c1C ZINC000057347399 521598549 /nfs/dbraw/zinc/59/85/49/521598549.db2.gz FJNAZNRWWWERJJ-UHFFFAOYSA-N 0 0 328.593 4.136 10 0 EIAERN O=C(CCc1ccccc1Br)N1CCC[C@@H]1c1ccco1 ZINC000116041690 526610657 /nfs/dbraw/zinc/61/06/57/526610657.db2.gz GOTUXQPVSDBKPH-OAHLLOKOSA-N 0 0 348.240 4.338 10 0 EIAERN Cc1ccc([C@H](C(=O)[O-])[N@H+](C)Cc2ccc(Br)cc2)cc1 ZINC000032801347 563744424 /nfs/dbraw/zinc/74/44/24/563744424.db2.gz JIAKBSVDWVJDQO-MRXNPFEDSA-N 0 0 348.240 4.015 10 0 EIAERN CC(C)=CCc1c2c(c(=O)c3c(O)cc(C)oc1-3)C=CC(C)(C)O2 ZINC000000897919 560179118 /nfs/dbraw/zinc/17/91/18/560179118.db2.gz NVMMHCGADVNCFH-UHFFFAOYSA-N 0 0 326.392 4.500 10 0 in-vitro EIAERN CCCc1[nH]nc(-c2cccs2)c1NC(=O)Cc1ccccc1 ZINC000034796468 563480694 /nfs/dbraw/zinc/48/06/94/563480694.db2.gz MVPHZQIHADPCCW-UHFFFAOYSA-N 0 0 325.437 4.272 10 0 EIAERN COc1ccccc1NC(=O)/C=C/c1ccc(Br)cc1 ZINC000005361904 563528460 /nfs/dbraw/zinc/52/84/60/563528460.db2.gz LSWGURBDMHLEQJ-DHZHZOJOSA-N 0 0 332.197 4.110 10 0 EIAERN Cc1cc(NC(=O)[C@H](c2ccccc2)N2CCCc3ccccc32)no1 ZINC000012521740 563661934 /nfs/dbraw/zinc/66/19/34/563661934.db2.gz KSEXDSJYVSEVGF-FQEVSTJZSA-N 0 0 347.418 4.116 10 0 in-vitro EIAERN CC(=O)Nc1ccc(NC(=O)c2ccnc(-c3ccsc3)c2)cc1 ZINC000065063158 563727275 /nfs/dbraw/zinc/72/72/75/563727275.db2.gz WUGGMMJGPHGKPF-UHFFFAOYSA-N 0 0 337.404 4.021 10 0 EIAERN Cc1[nH]nc(-c2ccc(C)cc2C)c1NC(=O)Cc1ccc(F)cc1 ZINC000034794768 563919681 /nfs/dbraw/zinc/91/96/81/563919681.db2.gz QSWKBYNCTMXBEX-UHFFFAOYSA-N 0 0 337.398 4.322 10 0 EIAERN Cc1ccc2[nH]c([C@@H]3CCCN3Cc3ccnc(C(C)C)n3)nc2c1 ZINC000077357698 563969164 /nfs/dbraw/zinc/96/91/64/563969164.db2.gz ORDNYEBIYFAESA-SFHVURJKSA-N 0 0 335.455 4.122 10 0 EIAERN O[C@@H](c1ccccn1)C1(c2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000087493514 563974376 /nfs/dbraw/zinc/97/43/76/563974376.db2.gz RACMQMKZFOXEAB-INIZCTEOSA-N 0 0 338.234 4.170 10 0 EIAERN CC(=O)c1cc(C(=O)c2cccs2)n2cnc(-c3ccccc3)cc12 ZINC000048523541 564031927 /nfs/dbraw/zinc/03/19/27/564031927.db2.gz BPWGGUYZPQWMMS-UHFFFAOYSA-N 0 0 346.411 4.496 10 0 EIAERN COc1ccc2cc(-n3nc(C)cc3C)c(-n3nc(C)cc3C)cc2c1 ZINC000006824037 564098911 /nfs/dbraw/zinc/09/89/11/564098911.db2.gz VSFQWGIPKNTUGM-UHFFFAOYSA-N 0 0 346.434 4.453 10 0 EIAERN Fc1ccccc1-c1c(I)n[nH]c1C1CCC1 ZINC000675076052 564113302 /nfs/dbraw/zinc/11/33/02/564113302.db2.gz JQYOMFRMGWYLFT-UHFFFAOYSA-N 0 0 342.155 4.088 10 0 EIAERN Cc1ccc(-c2c(I)n[nH]c2C(C)C)cc1 ZINC000675077121 564113472 /nfs/dbraw/zinc/11/34/72/564113472.db2.gz YFOJGDGKUZNOLJ-UHFFFAOYSA-N 0 0 326.181 4.113 10 0 EIAERN Nc1cc(Br)cc2[nH]c(-c3cc4ccccc4o3)nc21 ZINC000129090256 564118269 /nfs/dbraw/zinc/11/82/69/564118269.db2.gz PFYUCZWDBWLBHK-UHFFFAOYSA-N 0 0 328.169 4.321 10 0 EIAERN Cc1ccc(N2C(=O)S/C(=C/c3nc4ccccc4[nH]3)C2=O)c(C)c1 ZINC000027533827 564131059 /nfs/dbraw/zinc/13/10/59/564131059.db2.gz ZXFMEGXRQJUTCX-MHWRWJLKSA-N 0 0 349.415 4.421 10 0 EIAERN O=C(OCc1ccc(C2(C(F)(F)F)N=N2)cc1F)c1ccccc1 ZINC000077292766 564134182 /nfs/dbraw/zinc/13/41/82/564134182.db2.gz UUVJYOBKDKCOQD-UHFFFAOYSA-N 0 0 338.260 4.364 10 0 in-vitro EIAERN CC[C@@H](NC(=O)OC(C)(C)C)C(=O)C[C@@H](C)COCc1ccccc1 ZINC000685961216 564177175 /nfs/dbraw/zinc/17/71/75/564177175.db2.gz DGVGHGFPQISEKN-NVXWUHKLSA-N 0 0 349.471 4.102 10 0 EIAERN CCCCC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 ZINC000685961792 564177200 /nfs/dbraw/zinc/17/72/00/564177200.db2.gz OIDCPEXQLZMBFA-MAUKXSAKSA-N 0 0 349.471 4.244 10 0 EIAERN CC[C@@H](C)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 ZINC000685961994 564177250 /nfs/dbraw/zinc/17/72/50/564177250.db2.gz QWTAXGQEOINPFL-HLLBOEOZSA-N 0 0 349.471 4.100 10 0 EIAERN C[C@@H](COCc1ccccc1)CC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C ZINC000685962856 564177258 /nfs/dbraw/zinc/17/72/58/564177258.db2.gz XPPXOEIWKQTAKI-CVEARBPZSA-N 0 0 349.471 4.054 10 0 EIAERN C[C@@H](COCc1ccccc1)CC(=O)CCN(C)C(=O)OC(C)(C)C ZINC000685962639 564177267 /nfs/dbraw/zinc/17/72/67/564177267.db2.gz MUHIYBAQSYBUJO-MRXNPFEDSA-N 0 0 349.471 4.056 10 0 EIAERN C[C@H](c1cccs1)N(C)C(=O)NC[C@@H]1CCN(C)c2ccccc21 ZINC000057332803 1032099304 /nfs/dbraw/zinc/09/93/04/1032099304.db2.gz RKDAACYEKCTUGI-CABCVRRESA-N 0 0 343.496 4.074 10 0 EIAERN Cc1cccc([C@H](C)CNC(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000121078625 1032514909 /nfs/dbraw/zinc/51/49/09/1032514909.db2.gz HHOSAOMOSCZGET-WBVHZDCISA-N 0 0 343.496 4.144 10 0 EIAERN C[C@@H]1CC(C(=O)Nc2ccc3c(c2)nc(C(C)(C)C)n3C)C[C@@H](C)O1 ZINC000091697773 1023151369 /nfs/dbraw/zinc/15/13/69/1023151369.db2.gz ILHNTAFLGOVJGX-CHWSQXEVSA-N 0 0 343.471 4.013 10 0 EIAERN Cc1cc(NC(=O)N2CC[C@H](C)C[C@@H](C)C2)ccc1C(=O)NC(C)C ZINC000123098008 1026687717 /nfs/dbraw/zinc/68/77/17/1026687717.db2.gz NWTSIHSTJCGFBR-LSDHHAIUSA-N 0 0 345.487 4.033 10 0 EIAERN C[C@H](NC(=O)N1CCC[C@@H](c2nccs2)C1)c1ccccc1Cl ZINC000114819263 1029630903 /nfs/dbraw/zinc/63/09/03/1029630903.db2.gz BBODVCKFZMLMIB-QWHCGFSZSA-N 0 0 349.887 4.447 10 0 EIAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cccc4ncccc43)C2)cc1 ZINC000122292185 1030752845 /nfs/dbraw/zinc/75/28/45/1030752845.db2.gz SXXNUNFGDZLXFK-NVXWUHKLSA-N 0 0 346.430 4.262 10 0 EIAERN O=C(C[C@H]1CCOc2ccccc21)N1CC=C(c2ccccc2)CC1 ZINC000117570816 1031144850 /nfs/dbraw/zinc/14/48/50/1031144850.db2.gz NQBPTROKHIXBLO-LJQANCHMSA-N 0 0 333.431 4.259 10 0 EIAERN Cc1csc(C2CCN(C(=O)[C@@H](C)Cc3ccccc3)CC2)n1 ZINC000112045698 1031338059 /nfs/dbraw/zinc/33/80/59/1031338059.db2.gz NSPBUFOQHMUBCY-AWEZNQCLSA-N 0 0 328.481 4.036 10 0 EIAERN COc1cccc(CCC(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000117857609 1031394752 /nfs/dbraw/zinc/39/47/52/1031394752.db2.gz DBZSJRJNUWKNLH-UHFFFAOYSA-N 0 0 327.449 4.005 10 0 EIAERN CC(C)Cc1nnc(NC(=O)N2CC=C(c3cccs3)CC2)s1 ZINC000118008717 1031399066 /nfs/dbraw/zinc/39/90/66/1031399066.db2.gz UXFZBMZSIRHTRN-UHFFFAOYSA-N 0 0 348.497 4.119 10 0 EIAERN Cc1ccc(CN[C@H](c2ncon2)c2ccc(Cl)cc2)cc1C ZINC000090202713 1039200446 /nfs/dbraw/zinc/20/04/46/1039200446.db2.gz DTWNOXGVSHVDTC-KRWDZBQOSA-N 0 0 327.815 4.219 10 0 EIAERN Clc1ccc(CN[C@H](c2ncon2)c2ccc(Cl)cc2)s1 ZINC000090202785 1039202955 /nfs/dbraw/zinc/20/29/55/1039202955.db2.gz PLNWHORBMRWUMV-ZDUSSCGKSA-N 0 0 340.235 4.317 10 0 EIAERN Cc1cc(C)cc(CN[C@H](c2ncon2)c2ccc(Cl)cc2)c1 ZINC000090202052 1039202973 /nfs/dbraw/zinc/20/29/73/1039202973.db2.gz FEPGGCXBKFSKTC-KRWDZBQOSA-N 0 0 327.815 4.219 10 0 EIAERN Clc1ccc(CN[C@@H](c2ncon2)c2ccc(Cl)cc2)cc1 ZINC000090202592 1039203084 /nfs/dbraw/zinc/20/30/84/1039203084.db2.gz SHOUWWZYIYQQFO-OAHLLOKOSA-N 0 0 334.206 4.256 10 0 EIAERN O=C(NCc1nc(C2CC2)cs1)N[C@H]1CCCc2cc(F)ccc21 ZINC000129602320 1042743518 /nfs/dbraw/zinc/74/35/18/1042743518.db2.gz WCQXLMVDCKABGU-HNNXBMFYSA-N 0 0 345.443 4.036 10 0 EIAERN Cc1ccccc1C(C)(C)C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000067046810 1045735752 /nfs/dbraw/zinc/73/57/52/1045735752.db2.gz NYNVTPTYRSDXSK-HNNXBMFYSA-N 0 0 328.481 4.135 10 0 EIAERN O=C(c1cc2c(s1)CCCC2)N1CCC[C@H](c2nccs2)C1 ZINC000067046631 1045736700 /nfs/dbraw/zinc/73/67/00/1045736700.db2.gz XDRKHYLKGNMZJS-ZDUSSCGKSA-N 0 0 332.494 4.103 10 0 EIAERN O=C([C@@H]1C[C@@H]1c1ccccc1Cl)N1CCC[C@H](c2nccs2)C1 ZINC000067048186 1045740106 /nfs/dbraw/zinc/74/01/06/1045740106.db2.gz QNNLJKGQPNSKMP-NWANDNLSSA-N 0 0 346.883 4.306 10 0 EIAERN CC[C@@H](NC(=O)N1CC[C@H](Nc2ccccc2)C1)c1cccs1 ZINC000067631400 1045744517 /nfs/dbraw/zinc/74/45/17/1045744517.db2.gz MNHHPSOIGZCUQX-JKSUJKDBSA-N 0 0 329.469 4.095 10 0 EIAERN Cc1csc(C2CCN(C(=O)Cc3cccc(Cl)c3)CC2)n1 ZINC000067924002 1045746730 /nfs/dbraw/zinc/74/67/30/1045746730.db2.gz GNKJWLQQKVJQHA-UHFFFAOYSA-N 0 0 334.872 4.054 10 0 EIAERN C[C@@H](NC(=O)c1ccc(C=O)cc1)c1ccc(-c2ccncc2)cc1 ZINC000074296824 1045814958 /nfs/dbraw/zinc/81/49/58/1045814958.db2.gz NKEMJALOMHPZTA-OAHLLOKOSA-N 0 0 330.387 4.052 10 0 EIAERN O=[S@@](Cc1ncc(-c2ccccc2Cl)o1)c1ccccc1F ZINC000080138915 1046453914 /nfs/dbraw/zinc/45/39/14/1046453914.db2.gz VRFXAKHQYDKKJB-JOCHJYFZSA-N 0 0 335.787 4.442 10 0 EIAERN CCOc1c(F)cccc1C(=O)N1CC=C(c2cccs2)CC1 ZINC000080360930 1046573471 /nfs/dbraw/zinc/57/34/71/1046573471.db2.gz QILRYRXEEUTHQR-UHFFFAOYSA-N 0 0 331.412 4.215 10 0 EIAERN Cc1cccc([C@@H]2CCCCCN2C(=O)[C@@H]2CCCn3ccnc32)c1 ZINC000081759740 1047159914 /nfs/dbraw/zinc/15/99/14/1047159914.db2.gz AQGIIADGZMUYKK-MOPGFXCFSA-N 0 0 337.467 4.213 10 0 EIAERN Nc1nc(C2CC2)c(Cc2ccc(Br)cc2F)s1 ZINC000050266615 214052040 /nfs/dbraw/zinc/05/20/40/214052040.db2.gz QWYLLEIFORCNPG-UHFFFAOYSA-N 0 0 327.222 4.095 10 0 EIAERN CC(C)c1nc(-c2cc3c(c(Br)c2)OCO3)c(N)s1 ZINC000050308932 214052696 /nfs/dbraw/zinc/05/26/96/214052696.db2.gz GSFLGQWYTVWJGM-UHFFFAOYSA-N 0 0 341.230 4.007 10 0 EIAERN O=Cc1cn(-c2cccc(Br)c2)nc1-c1ccsc1 ZINC000050339083 214053574 /nfs/dbraw/zinc/05/35/74/214053574.db2.gz DRCFAQSUJOJUGA-UHFFFAOYSA-N 0 0 333.210 4.176 10 0 EIAERN Cc1cc(Br)cc(N)c1NC(=O)c1ccc(Cl)s1 ZINC000051171127 214082271 /nfs/dbraw/zinc/08/22/71/214082271.db2.gz CRMYIMBTZWWLIC-UHFFFAOYSA-N 0 0 345.649 4.307 10 0 EIAERN C[C@@H]1CCN(C(=O)c2cc(Br)ccc2Cl)[C@@H](C)C1 ZINC000051734382 214101930 /nfs/dbraw/zinc/10/19/30/214101930.db2.gz LPQCHXGYRCBAHG-ZJUUUORDSA-N 0 0 330.653 4.363 10 0 EIAERN Cc1cccc(CC(=O)c2ccccc2I)c1 ZINC000052136384 214119726 /nfs/dbraw/zinc/11/97/26/214119726.db2.gz NCNAYNCSOIZIEH-UHFFFAOYSA-N 0 0 336.172 4.025 10 0 EIAERN C[C@H](O)c1cc(Br)ccc1OCc1ccccc1F ZINC000052067922 214115218 /nfs/dbraw/zinc/11/52/18/214115218.db2.gz LVDXEBLESBTVCL-JTQLQIEISA-N 0 0 325.177 4.221 10 0 EIAERN Cc1cc([C@H](O)Cc2cc(Br)ccc2F)ccc1F ZINC000053785169 214198041 /nfs/dbraw/zinc/19/80/41/214198041.db2.gz BPKOKPKTEBCTOA-OAHLLOKOSA-N 0 0 327.168 4.312 10 0 EIAERN Cc1ccc(F)cc1[C@H](O)Cc1ccc(F)cc1Br ZINC000053787436 214199226 /nfs/dbraw/zinc/19/92/26/214199226.db2.gz GDOLRUQGBOSBCG-OAHLLOKOSA-N 0 0 327.168 4.312 10 0 EIAERN O[C@H](Cc1ccc(F)cc1Br)c1cc(F)cc(F)c1 ZINC000053786332 214199273 /nfs/dbraw/zinc/19/92/73/214199273.db2.gz WTLUDRQEWLMBPI-CQSZACIVSA-N 0 0 331.131 4.143 10 0 EIAERN COc1cc(OCc2ccccc2)c(Br)cc1C(C)=O ZINC000098180842 219086331 /nfs/dbraw/zinc/08/63/31/219086331.db2.gz RGXPUPSLOSECDE-UHFFFAOYSA-N 0 0 335.197 4.239 10 0 EIAERN COC(=O)c1cc(Oc2ccc(N)cc2Cl)cc(OC(C)C)c1 ZINC000098181132 219086887 /nfs/dbraw/zinc/08/68/87/219086887.db2.gz TVUSVWFGFHLXPJ-UHFFFAOYSA-N 0 0 335.787 4.288 10 0 EIAERN COc1cccc(Cc2nsc(Nc3ccc(C)c(C)c3)n2)c1 ZINC000004420279 210190328 /nfs/dbraw/zinc/19/03/28/210190328.db2.gz GJJVTFGFRQEFTA-UHFFFAOYSA-N 0 0 325.437 4.498 10 0 EIAERN Cc1[nH+]c(-c2ccc(Br)cc2)c(N)n1Cc1ccccc1 ZINC000100907970 219111312 /nfs/dbraw/zinc/11/13/12/219111312.db2.gz YKQIMXMWJSRRQU-UHFFFAOYSA-N 0 0 342.240 4.252 10 0 EIAERN CCc1cccc2sc(NC(=O)c3ccc(N(C)C)cc3)nc21 ZINC000004255109 210153714 /nfs/dbraw/zinc/15/37/14/210153714.db2.gz RKXNWZHJCOTLFM-UHFFFAOYSA-N 0 0 325.437 4.177 10 0 EIAERN COc1ccc(C2=C(c3ccc(S(C)(=O)=O)cc3)CCC2)cc1 ZINC000003814637 210076967 /nfs/dbraw/zinc/07/69/67/210076967.db2.gz RAUHMMADXJJVRP-UHFFFAOYSA-N 0 0 328.433 4.193 10 0 EIAERN O=C1c2ccccc2[C@@](O)(c2ccccc2)N1Cc1ccccc1Cl ZINC000003172240 209972715 /nfs/dbraw/zinc/97/27/15/209972715.db2.gz UCKRTWDRPSNZDJ-NRFANRHFSA-N 0 0 349.817 4.189 10 0 EIAERN OCc1cccc(-c2cc(Br)cc(Br)c2)c1 ZINC000067803004 215215251 /nfs/dbraw/zinc/21/52/51/215215251.db2.gz XESUKRDERAPXCK-UHFFFAOYSA-N 0 0 342.030 4.371 10 0 EIAERN C[C@H](O)c1cc(F)ccc1N(C)Cc1csc(Br)c1 ZINC000042362964 213499133 /nfs/dbraw/zinc/49/91/33/213499133.db2.gz CATRTVGTZJGKRR-VIFPVBQESA-N 0 0 344.249 4.339 10 0 EIAERN CCOC(=O)c1sc(-c2ccccc2Br)c(C)c1N ZINC000103938736 219330559 /nfs/dbraw/zinc/33/05/59/219330559.db2.gz IQGPVMHHZGZXEC-UHFFFAOYSA-N 0 0 340.242 4.245 10 0 EIAERN Cc1ccc(F)cc1C(=O)Cc1ccc(F)c(Br)c1 ZINC000103939387 219331438 /nfs/dbraw/zinc/33/14/38/219331438.db2.gz AWAACLLQLBNQCB-UHFFFAOYSA-N 0 0 325.152 4.461 10 0 EIAERN Fc1ccc(-c2nnc(Br)s2)cc1C(F)(F)F ZINC000103921799 219329383 /nfs/dbraw/zinc/32/93/83/219329383.db2.gz FRFLIPDAHPPTHW-UHFFFAOYSA-N 0 0 327.100 4.126 10 0 EIAERN Cc1ccc2nccc(NC(=O)c3ccc(Br)o3)c2c1 ZINC000041057285 213411887 /nfs/dbraw/zinc/41/18/87/213411887.db2.gz POWDQJUURFAGSJ-UHFFFAOYSA-N 0 0 331.169 4.151 10 0 EIAERN Cc1ccc(-n2c(N)nc3cc(Cl)ccc32)cc1Br ZINC000104166683 219354951 /nfs/dbraw/zinc/35/49/51/219354951.db2.gz BMRUSLYOKBYNID-UHFFFAOYSA-N 0 0 336.620 4.332 10 0 EIAERN Cc1c(Cl)nc(Cc2ccccc2Br)nc1Cl ZINC000104138912 219351900 /nfs/dbraw/zinc/35/19/00/219351900.db2.gz FKBRJMXIIZARME-UHFFFAOYSA-N 0 0 332.028 4.445 10 0 EIAERN CCC1CCC(NC(=O)c2ccc(Br)c(F)c2)CC1 ZINC000104175639 219356067 /nfs/dbraw/zinc/35/60/67/219356067.db2.gz YXSGKTNJHTZGLP-UHFFFAOYSA-N 0 0 328.225 4.287 10 0 EIAERN COCc1c(Br)cccc1NCCc1cccs1 ZINC000104281379 219369708 /nfs/dbraw/zinc/36/97/08/219369708.db2.gz LWDHZEORTRQOSX-UHFFFAOYSA-N 0 0 326.259 4.312 10 0 EIAERN Cc1ccc(-c2c(N)n[nH]c2-c2sccc2Br)cc1 ZINC000104285713 219370321 /nfs/dbraw/zinc/37/03/21/219370321.db2.gz CNAWPDSMBKVDPW-UHFFFAOYSA-N 0 0 334.242 4.458 10 0 EIAERN C[NH2+]Cc1cc(F)ccc1Sc1ccc(Br)cc1 ZINC000104299621 219371500 /nfs/dbraw/zinc/37/15/00/219371500.db2.gz WFIZLRMLLYYLGB-UHFFFAOYSA-N 0 0 326.234 4.459 10 0 EIAERN O=Cc1c(Sc2ccccc2Br)nc2ccccn21 ZINC000104295212 219372207 /nfs/dbraw/zinc/37/22/07/219372207.db2.gz PKWOUBDVLFURDN-UHFFFAOYSA-N 0 0 333.210 4.061 10 0 EIAERN Nc1cccc(Cl)c1C(=O)OCc1cc(Br)cs1 ZINC000104336118 219375702 /nfs/dbraw/zinc/37/57/02/219375702.db2.gz CGMBGJPCCBKOKZ-UHFFFAOYSA-N 0 0 346.633 4.103 10 0 EIAERN Cc1cc(C)c(NC(=S)NC(=O)CCc2ccccc2)c(Cl)c1 ZINC000040898639 213398351 /nfs/dbraw/zinc/39/83/51/213398351.db2.gz OWMBFEDGGXDVBL-UHFFFAOYSA-N 0 0 346.883 4.403 10 0 EIAERN CCCCCNC(=O)/C=C/c1cc(Br)ccc1OCC ZINC000040890625 213397378 /nfs/dbraw/zinc/39/73/78/213397378.db2.gz CIDPJSYMZJFKEP-JXMROGBWSA-N 0 0 340.261 4.167 10 0 EIAERN Cc1cc(Oc2ncnc(NC3CCCC3)c2N)cc(C)c1Cl ZINC000040797983 213388304 /nfs/dbraw/zinc/38/83/04/213388304.db2.gz YOVUACNVXMPPAU-UHFFFAOYSA-N 0 0 332.835 4.476 10 0 EIAERN COc1ccccc1Nc1ncnc(Nc2ccccc2Cl)c1N ZINC000040781274 213386168 /nfs/dbraw/zinc/38/61/68/213386168.db2.gz KVTKHZWPKKOVGF-UHFFFAOYSA-N 0 0 341.802 4.208 10 0 EIAERN Cc1cc(Oc2ncnc(Nc3ccccn3)c2N)cc(C)c1Cl ZINC000040779137 213385697 /nfs/dbraw/zinc/38/56/97/213385697.db2.gz XQEJXYVKCOORMY-UHFFFAOYSA-N 0 0 341.802 4.260 10 0 EIAERN Cc1ccc(Oc2ncnc(Nc3ccc(F)cc3F)c2N)cc1 ZINC000040796289 213387436 /nfs/dbraw/zinc/38/74/36/213387436.db2.gz MFWUOBNZAPMDCC-UHFFFAOYSA-N 0 0 328.322 4.181 10 0 EIAERN COc1ccc(Nc2ncnc(Nc3ccc(Cl)cc3)c2N)cc1 ZINC000040782133 213386999 /nfs/dbraw/zinc/38/69/99/213386999.db2.gz CEMYQJJTYBUYFE-UHFFFAOYSA-N 0 0 341.802 4.208 10 0 EIAERN Cc1ccc(Nc2ncnc(N(CC(C)C)CC(C)C)c2N)cc1 ZINC000040735667 213379452 /nfs/dbraw/zinc/37/94/52/213379452.db2.gz RGUFCMXUQWLNTA-UHFFFAOYSA-N 0 0 327.476 4.229 10 0 EIAERN CC(C)c1ccc(Oc2ncnc(-n3cnc4ccccc43)c2N)cc1 ZINC000040727617 213375678 /nfs/dbraw/zinc/37/56/78/213375678.db2.gz QASIZKOKUXZUCU-UHFFFAOYSA-N 0 0 345.406 4.313 10 0 EIAERN Cc1ccc(Nc2ncnc(Nc3ccc(F)cc3F)c2N)cc1C ZINC000040703027 213372450 /nfs/dbraw/zinc/37/24/50/213372450.db2.gz XBRUALVNUGAOAM-UHFFFAOYSA-N 0 0 341.365 4.441 10 0 EIAERN Cc1ccc(C)c(Nc2ncnc(Nc3cccnc3Cl)c2N)c1 ZINC000040704740 213372358 /nfs/dbraw/zinc/37/23/58/213372358.db2.gz GUSNKSRIJSTOOU-UHFFFAOYSA-N 0 0 340.818 4.211 10 0 EIAERN Cc1ccc(C)c(Nc2ncnc(Nc3ccc(F)cc3F)c2N)c1 ZINC000040704699 213371322 /nfs/dbraw/zinc/37/13/22/213371322.db2.gz HORKNESSNKNSJZ-UHFFFAOYSA-N 0 0 341.365 4.441 10 0 EIAERN Nc1c(Nc2nccs2)ncnc1Oc1ccc2ccccc2c1 ZINC000040687814 213369803 /nfs/dbraw/zinc/36/98/03/213369803.db2.gz UXONHJYYBKHRPM-UHFFFAOYSA-N 0 0 335.392 4.204 10 0 EIAERN Nc1c(Oc2cccnc2)ncnc1Oc1ccc2ccccc2c1 ZINC000040687883 213369512 /nfs/dbraw/zinc/36/95/12/213369512.db2.gz CPABMEXHRAXFDR-UHFFFAOYSA-N 0 0 330.347 4.192 10 0 EIAERN CC(C)(C)Nc1ncnc(Nc2cc(Cl)cc(Cl)c2)c1N ZINC000040680384 213367801 /nfs/dbraw/zinc/36/78/01/213367801.db2.gz PUAZBJNKEBDZLN-UHFFFAOYSA-N 0 0 326.231 4.320 10 0 EIAERN CCOc1ccc(Nc2ncnc(N(CC)c3ccccc3)c2N)cc1 ZINC000040679648 213367557 /nfs/dbraw/zinc/36/75/57/213367557.db2.gz IGJROQRQZKEQKO-UHFFFAOYSA-N 0 0 349.438 4.359 10 0 EIAERN Cc1cc(C)cc(Nc2ncnc(Nc3cccnc3Cl)c2N)c1 ZINC000040682266 213368314 /nfs/dbraw/zinc/36/83/14/213368314.db2.gz IKOXFSXSTNVYBK-UHFFFAOYSA-N 0 0 340.818 4.211 10 0 EIAERN COc1cccc(Nc2ncnc(Oc3cc(C)cc(C)c3)c2N)c1 ZINC000040681231 213368146 /nfs/dbraw/zinc/36/81/46/213368146.db2.gz PMOKTPBXFXIBIM-UHFFFAOYSA-N 0 0 336.395 4.220 10 0 EIAERN OCCCn1c(CSc2ccc(Cl)cc2)nc2ccccc21 ZINC000040389368 213297169 /nfs/dbraw/zinc/29/71/69/213297169.db2.gz CGNYEOWLOTZOBS-UHFFFAOYSA-N 0 0 332.856 4.364 10 0 EIAERN CCN(CC)C(=O)Cn1c2ccccc2nc1-c1ccc(C)cc1C ZINC000040210803 213281608 /nfs/dbraw/zinc/28/16/08/213281608.db2.gz WBRAJPBBLRDCKC-UHFFFAOYSA-N 0 0 335.451 4.189 10 0 EIAERN CCC(=O)NCCCCCc1nc2ccccc2n1Cc1ccccc1 ZINC000040211074 213281555 /nfs/dbraw/zinc/28/15/55/213281555.db2.gz LMHYTFCWJXTFLL-UHFFFAOYSA-N 0 0 349.478 4.324 10 0 EIAERN Cc1ccc(CN(C(=O)c2ccc(Br)s2)C(C)C)o1 ZINC000040222510 213282945 /nfs/dbraw/zinc/28/29/45/213282945.db2.gz CPSGINMZWXARBZ-UHFFFAOYSA-N 0 0 342.258 4.463 10 0 EIAERN CC(C)CCn1c(CNC(=O)c2cccs2)nc2ccccc21 ZINC000040196968 213280901 /nfs/dbraw/zinc/28/09/01/213280901.db2.gz NANNGDSFYPZTDV-UHFFFAOYSA-N 0 0 327.453 4.074 10 0 EIAERN Cc1cc(C)c2nc(C)cc(NC(=O)c3ccc(N(C)C)cc3)c2c1 ZINC000040177054 213279663 /nfs/dbraw/zinc/27/96/63/213279663.db2.gz LQRNRQCBISSHQK-UHFFFAOYSA-N 0 0 333.435 4.478 10 0 EIAERN Cc1cccc(NC(=O)c2cn(C)c3c(Cl)cccc3c2=O)c1C ZINC000039962962 213247150 /nfs/dbraw/zinc/24/71/50/213247150.db2.gz GSKIYQDCFWZMAY-UHFFFAOYSA-N 0 0 340.810 4.061 10 0 EIAERN CSc1ccc(C(=O)COc2ccccc2Br)cc1 ZINC000038305433 213207782 /nfs/dbraw/zinc/20/77/82/213207782.db2.gz VSDPPKLBJZEJCP-UHFFFAOYSA-N 0 0 337.238 4.433 10 0 EIAERN CCc1c(C)nc(-c2ccc(OC)c(Br)c2)nc1Cl ZINC000038052459 213198828 /nfs/dbraw/zinc/19/88/28/213198828.db2.gz XIFWPMONMVINBD-UHFFFAOYSA-N 0 0 341.636 4.439 10 0 EIAERN C[C@H](c1cccc(Br)c1)N1CCc2c(N)cccc2C1 ZINC000038032500 213194243 /nfs/dbraw/zinc/19/42/43/213194243.db2.gz XMZDAXDMLNRSPP-GFCCVEGCSA-N 0 0 331.257 4.151 10 0 EIAERN Cc1noc(CN[C@@H](c2cccs2)c2ccc(Cl)s2)n1 ZINC000038033977 213193643 /nfs/dbraw/zinc/19/36/43/213193643.db2.gz UNIKPOKWNVLXOB-ZDUSSCGKSA-N 0 0 325.846 4.034 10 0 EIAERN C[C@H](NC(=O)c1c[nH]c2ccccc12)c1cccc(Br)c1 ZINC000038012677 213189234 /nfs/dbraw/zinc/18/92/34/213189234.db2.gz SVJGXZHSVIFXNC-NSHDSACASA-N 0 0 343.224 4.421 10 0 EIAERN O=Cc1cn(Cc2ccccc2)nc1-c1ccc(Br)s1 ZINC000038002078 213186416 /nfs/dbraw/zinc/18/64/16/213186416.db2.gz KWAWTJNXCBDIER-UHFFFAOYSA-N 0 0 347.237 4.235 10 0 EIAERN CNC(=O)c1cccc(N[C@@H](C)c2ccc(Br)s2)c1 ZINC000038001904 213186450 /nfs/dbraw/zinc/18/64/50/213186450.db2.gz QHZABSSMXSTZHG-VIFPVBQESA-N 0 0 339.258 4.043 10 0 EIAERN CCCCCC[C@@](C)(Nc1cccc(Br)c1)C(N)=O ZINC000037944378 213174782 /nfs/dbraw/zinc/17/47/82/213174782.db2.gz KXWOQQRSEIVYGE-OAHLLOKOSA-N 0 0 327.266 4.075 10 0 EIAERN CCc1ncc(CNc2c(F)cc(F)cc2Br)s1 ZINC000037924015 213173902 /nfs/dbraw/zinc/17/39/02/213173902.db2.gz JMJAPRDNGPIBQL-UHFFFAOYSA-N 0 0 333.201 4.358 10 0 EIAERN FC(F)(F)Cn1cnnc1SCc1csc2ccccc12 ZINC000069811208 215587058 /nfs/dbraw/zinc/58/70/58/215587058.db2.gz PREWZFVISGAGLA-UHFFFAOYSA-N 0 0 329.372 4.347 10 0 EIAERN Cc1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1N ZINC000037392075 213143634 /nfs/dbraw/zinc/14/36/34/213143634.db2.gz QGDAJLJWFFRFDD-UHFFFAOYSA-N 0 0 339.620 4.245 10 0 EIAERN Cn1c2ccc(Br)cc2nc1-c1ccc(Cl)cc1O ZINC000037442071 213148330 /nfs/dbraw/zinc/14/83/30/213148330.db2.gz OWJUVLNNBITLMZ-UHFFFAOYSA-N 0 0 337.604 4.362 10 0 EIAERN Cc1cc(C)c(-c2c(=O)c(=O)c2N[C@H]2CCC[C@@H](C)[C@@H]2C)cc1C ZINC000037008903 213129724 /nfs/dbraw/zinc/12/97/24/213129724.db2.gz GLONKYQLORTCLR-PJQXDXOGSA-N 0 0 325.452 4.111 10 0 EIAERN CCCn1cc(Br)cc1C(=O)N(CC)C1CCCC1 ZINC000036860549 213125047 /nfs/dbraw/zinc/12/50/47/213125047.db2.gz TYEQTUXIZJMTLA-UHFFFAOYSA-N 0 0 327.266 4.065 10 0 EIAERN COc1cc(C)c(C(=O)c2ccc(Br)s2)cc1OC ZINC000036824063 213121824 /nfs/dbraw/zinc/12/18/24/213121824.db2.gz JAYHBBSLBMZDCN-UHFFFAOYSA-N 0 0 341.226 4.067 10 0 EIAERN O=C(c1ccccc1Cl)N1CCC[C@@H](OCc2ccccc2)C1 ZINC000036314590 213083088 /nfs/dbraw/zinc/08/30/88/213083088.db2.gz MXRIXZFCPUUZJR-MRXNPFEDSA-N 0 0 329.827 4.161 10 0 EIAERN CCc1ccc(-c2ccc(CC(=O)NCc3cccc(F)c3)cn2)cc1 ZINC000035900137 213052066 /nfs/dbraw/zinc/05/20/66/213052066.db2.gz BQSVEKWAAXCUIR-UHFFFAOYSA-N 0 0 348.421 4.309 10 0 EIAERN CC(C)(C)c1nn(-c2cccc(Br)c2)c(Cl)c1C=O ZINC000035778746 213049429 /nfs/dbraw/zinc/04/94/29/213049429.db2.gz JDEUVQKKRVKAJB-UHFFFAOYSA-N 0 0 341.636 4.398 10 0 EIAERN Cc1cccc(OCC(=O)c2ccc(Br)s2)c1C ZINC000035184361 213012803 /nfs/dbraw/zinc/01/28/03/213012803.db2.gz ZLXBCYXVMHNOEB-UHFFFAOYSA-N 0 0 325.227 4.389 10 0 EIAERN Cc1ccc(NCCc2ccccc2)cc1I ZINC000035036480 213005770 /nfs/dbraw/zinc/00/57/70/213005770.db2.gz LTYSSZZGLFYEHT-UHFFFAOYSA-N 0 0 337.204 4.254 10 0 EIAERN Cc1cc(NC(=O)COc2ccc(Cl)cc2)c2cc(F)ccc2n1 ZINC000032607103 212816402 /nfs/dbraw/zinc/81/64/02/212816402.db2.gz OQHDZXKGWBKOBW-UHFFFAOYSA-N 0 0 344.773 4.353 10 0 EIAERN Cc1cc(C)c2c(c1)c(C)cc(=O)n2CCC(=O)Nc1ccccc1C ZINC000032527332 212808740 /nfs/dbraw/zinc/80/87/40/212808740.db2.gz KDVYFQWANPLQPP-UHFFFAOYSA-N 0 0 348.446 4.264 10 0 EIAERN CC(C)(C)NC(=O)c1nn(-c2ccc(F)cc2F)c2c1[C@H]1CC[C@@H]2C1 ZINC000072266313 216087418 /nfs/dbraw/zinc/08/74/18/216087418.db2.gz NTPZXHMTJGOMCJ-WDEREUQCSA-N 0 0 345.393 4.044 10 0 investigational EIAERN Clc1ccccc1CNc1nc(N2CCCC2)nc2ccccc21 ZINC000072260560 216086183 /nfs/dbraw/zinc/08/61/83/216086183.db2.gz YFJWGGHFVYNDAK-UHFFFAOYSA-N 0 0 338.842 4.496 10 0 EIAERN Nc1ccc(F)c(NC(=O)c2cc(Br)ccc2Cl)c1 ZINC000037287610 213138094 /nfs/dbraw/zinc/13/80/94/213138094.db2.gz GMNYMKKYUROKTB-UHFFFAOYSA-N 0 0 343.583 4.076 10 0 EIAERN C[C@@H]1Cc2cc(/C=C3/N=C(c4ccccc4Cl)OC3=O)ccc2O1 ZINC000000099368 209418528 /nfs/dbraw/zinc/41/85/28/209418528.db2.gz CUZIQNWIIUGDED-HPUUJOOBSA-N 0 0 339.778 4.008 10 0 EIAERN Cc1cccc(Nc2nc3nccc(-c4ccccc4)c3c(=O)[nH]2)c1 ZINC000072440019 216233457 /nfs/dbraw/zinc/23/34/57/216233457.db2.gz LBMQDRSKSMYGCY-UHFFFAOYSA-N 0 0 328.375 4.037 10 0 EIAERN Cc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)[nH]c2=O)c(C)c1 ZINC000072450950 216239025 /nfs/dbraw/zinc/23/90/25/216239025.db2.gz UKHYXSWNPVNVKK-UHFFFAOYSA-N 0 0 336.366 4.050 10 0 EIAERN CCOC(=O)[C@@H](Nc1ccc(Br)cc1)c1ccsc1 ZINC000037960545 213176323 /nfs/dbraw/zinc/17/63/23/213176323.db2.gz UIBPMJVGHITIRB-ZDUSSCGKSA-N 0 0 340.242 4.227 10 0 EIAERN C[Si](C)(C)c1cccc(P([Si](C)(C)C)[Si](C)(C)C)n1 ZINC000196071576 241035943 /nfs/dbraw/zinc/03/59/43/241035943.db2.gz USWMPCHNOYNABS-UHFFFAOYSA-N 0 0 327.633 4.404 10 0 EIAERN Cc1cc(N)ccc1NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000226238328 242090802 /nfs/dbraw/zinc/09/08/02/242090802.db2.gz PLXGWHXCJNATOT-UHFFFAOYSA-N 0 0 341.480 4.002 10 0 EIAERN CCOC(=O)/C=C/c1ccc(-c2ccc(F)cc2Br)o1 ZINC000226256450 242092590 /nfs/dbraw/zinc/09/25/90/242092590.db2.gz SAGZAVHATUWSES-VMPITWQZSA-N 0 0 339.160 4.425 10 0 EIAERN CNc1ccc2oc(-c3ccc(OC)c(Br)c3)nc2c1 ZINC000226272079 242092676 /nfs/dbraw/zinc/09/26/76/242092676.db2.gz XNQQRASFHXQNBO-UHFFFAOYSA-N 0 0 333.185 4.308 10 0 EIAERN Cc1ccc2oc(-c3cccc(N(C)C(=O)C(F)(F)F)c3)nc2c1 ZINC000226280956 242094555 /nfs/dbraw/zinc/09/45/55/242094555.db2.gz KZZVZLFMFPKWRE-UHFFFAOYSA-N 0 0 334.297 4.328 10 0 EIAERN COc1ccc(-c2noc(N(C)c3cccc(Cl)c3)n2)cc1OC ZINC000021630615 212234967 /nfs/dbraw/zinc/23/49/67/212234967.db2.gz SCWQVTQKCOUAPP-UHFFFAOYSA-N 0 0 345.786 4.175 10 0 EIAERN CCC[C@@H](C)C(=O)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1 ZINC000021126648 212209578 /nfs/dbraw/zinc/20/95/78/212209578.db2.gz BOWFLFMFYMPRIG-CYBMUJFWSA-N 0 0 336.391 4.230 10 0 EIAERN CCOc1ccc(NC(=O)/C=C/c2cc(Cl)ccc2OC)cc1 ZINC000021022717 212200960 /nfs/dbraw/zinc/20/09/60/212200960.db2.gz SGIPXVCKHSOROT-NYYWCZLTSA-N 0 0 331.799 4.399 10 0 EIAERN Ic1ccc(N[C@@H]2CCc3ccccc32)cc1 ZINC000020477660 212135829 /nfs/dbraw/zinc/13/58/29/212135829.db2.gz GHQUQQHPZSQFQE-OAHLLOKOSA-N 0 0 335.188 4.391 10 0 EIAERN CCCCN(CC)C(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000020369511 212123602 /nfs/dbraw/zinc/12/36/02/212123602.db2.gz QEZVZHHUBQHAKN-UHFFFAOYSA-N 0 0 338.451 4.130 10 0 EIAERN Cc1sc2ncnc(NCCCCCO)c2c1-c1ccc(F)cc1 ZINC000020321483 212118580 /nfs/dbraw/zinc/11/85/80/212118580.db2.gz LDASBIWCTUKSTJ-UHFFFAOYSA-N 0 0 345.443 4.380 10 0 EIAERN CCOC(=O)c1ccc(Oc2ccc(C)cc2Br)nc1 ZINC000020077677 212099397 /nfs/dbraw/zinc/09/93/97/212099397.db2.gz ZDIVMANPFALMJU-UHFFFAOYSA-N 0 0 336.185 4.122 10 0 EIAERN CC(C)c1ccc(Cn2ncc3cc(Br)cnc32)cc1 ZINC000019807296 212071041 /nfs/dbraw/zinc/07/10/41/212071041.db2.gz SXTHFVFTVPIQHM-UHFFFAOYSA-N 0 0 330.229 4.366 10 0 EIAERN Nc1cc(Cl)ccc1NC(=O)c1ccc(Br)cc1F ZINC000019518288 212037355 /nfs/dbraw/zinc/03/73/55/212037355.db2.gz HJKJQOYLJQVFGT-UHFFFAOYSA-N 0 0 343.583 4.076 10 0 EIAERN Cc1c2ccccc2oc1C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000078939273 217153168 /nfs/dbraw/zinc/15/31/68/217153168.db2.gz DIWJYSMVJYMQPG-CYBMUJFWSA-N 0 0 337.375 4.003 10 0 EIAERN O=C(c1ccc2oc(CCCc3ccccc3)nc2c1)N1CCCC1 ZINC000014966533 211779507 /nfs/dbraw/zinc/77/95/07/211779507.db2.gz VJFKBCSNSSRUNC-UHFFFAOYSA-N 0 0 334.419 4.239 10 0 EIAERN FC(F)(F)c1cccc(Oc2nnc(Br)s2)c1 ZINC000081663002 217434132 /nfs/dbraw/zinc/43/41/32/217434132.db2.gz YQHSDQOHBBWJFS-UHFFFAOYSA-N 0 0 325.109 4.112 10 0 EIAERN CCc1nn(-c2ccc(OC)cc2)c2cc(Br)ccc12 ZINC000089197564 217774442 /nfs/dbraw/zinc/77/44/42/217774442.db2.gz AFOVOWKDWWLQER-UHFFFAOYSA-N 0 0 331.213 4.359 10 0 EIAERN CC(C)(C)OC(=O)n1ncc2c1cccc2Nc1ccnc(Cl)n1 ZINC000089195580 217774562 /nfs/dbraw/zinc/77/45/62/217774562.db2.gz OPTVUCCEHQIJTL-UHFFFAOYSA-N 0 0 345.790 4.007 10 0 EIAERN OC[C@@]1(c2ccccc2)C[C@H](c2ccccc2)N(c2ccccc2)O1 ZINC000090697535 217950175 /nfs/dbraw/zinc/95/01/75/217950175.db2.gz RYBFCGKGGOWHNN-FGZHOGPDSA-N 0 0 331.415 4.457 10 0 EIAERN COc1ccc2c(c1)nccc2-c1c2n(nc1-c1ccccn1)CCC2 ZINC000091301524 217990848 /nfs/dbraw/zinc/99/08/48/217990848.db2.gz YOXUJEKTIANZNU-UHFFFAOYSA-N 0 0 342.402 4.115 10 0 EIAERN COc1ccc2[nH]c(-c3nnc(CCc4ccccc4)s3)cc2c1 ZINC000009581819 211103960 /nfs/dbraw/zinc/10/39/60/211103960.db2.gz IZADSGSDJAGWNM-UHFFFAOYSA-N 0 0 335.432 4.480 10 0 EIAERN O=C(COc1c(F)cccc1F)c1ccc(Br)s1 ZINC000095081710 218275109 /nfs/dbraw/zinc/27/51/09/218275109.db2.gz QNDPKAYOBYIESI-UHFFFAOYSA-N 0 0 333.153 4.051 10 0 EIAERN CC(C)(C)OC(=O)N1CCC[C@H](COc2nc3ccccc3s2)C1 ZINC000095085444 218276441 /nfs/dbraw/zinc/27/64/41/218276441.db2.gz ILDWTOVMEJUDRZ-ZDUSSCGKSA-N 0 0 348.468 4.322 10 0 EIAERN C[C@H](OCC[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccccn1 ZINC000095089453 218279471 /nfs/dbraw/zinc/27/94/71/218279471.db2.gz BURGCCBROIXRGZ-JKSUJKDBSA-N 0 0 334.460 4.339 10 0 EIAERN CC(C)c1ccccc1OCCn1c2ccccc2nc1C(C)(C)O ZINC000008785992 211007831 /nfs/dbraw/zinc/00/78/31/211007831.db2.gz HDGIXOROCQGIFZ-UHFFFAOYSA-N 0 0 338.451 4.466 10 0 EIAERN CC(C)(C)OC(=O)N1CCCC(=O)c2ccc(Br)cc21 ZINC000095626885 218446280 /nfs/dbraw/zinc/44/62/80/218446280.db2.gz JVXIDPFSLVMARV-UHFFFAOYSA-N 0 0 340.217 4.167 10 0 EIAERN COc1cccc2c(Br)cn(C(=O)OC(C)(C)C)c21 ZINC000095929806 218450707 /nfs/dbraw/zinc/45/07/07/218450707.db2.gz AVPZQSBPDHKEFJ-UHFFFAOYSA-N 0 0 326.190 4.196 10 0 EIAERN CCc1ccc([C@H](C)Nc2ccccc2S(=O)(=O)C(F)F)cc1 ZINC000097393707 219021524 /nfs/dbraw/zinc/02/15/24/219021524.db2.gz JRDADCPCWSNLIA-LBPRGKRZSA-N 0 0 339.407 4.418 10 0 EIAERN C[C@@]12CC[C@@H]3[C@H](C=CC4=C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 ZINC000253537470 257658865 /nfs/dbraw/zinc/65/88/65/257658865.db2.gz BFKPXLDFMBGVDL-MPCFDFRISA-N 0 0 342.479 4.162 10 0 EIAERN Cc1nc(/C=C/c2nnc([C@H]3CCO[C@@H]3c3ccccc3)o2)cs1 ZINC000299750519 258007645 /nfs/dbraw/zinc/00/76/45/258007645.db2.gz NQOFKSPRSVWDIZ-CRLUXQHQSA-N 0 0 339.420 4.250 10 0 EIAERN CCCCOc1ccc(/C=C2/N=C(c3ccccc3F)OC2=O)cc1 ZINC000002026931 517563069 /nfs/dbraw/zinc/56/30/69/517563069.db2.gz PHFPNFGCCAIACL-QGOAFFKASA-N 0 0 339.366 4.349 10 0 EIAERN Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)C[C@@H](C)C(C)C ZINC000067820119 526264310 /nfs/dbraw/zinc/26/43/10/526264310.db2.gz NFKTWCOZWIXTQR-CQSZACIVSA-N 0 0 330.472 4.288 10 0 EIAERN CC(C)(C)OC(=O)N1CCC(Nc2cccc3cnccc32)CC1 ZINC000164368448 526395049 /nfs/dbraw/zinc/39/50/49/526395049.db2.gz WUHCJUYXGGLJEC-UHFFFAOYSA-N 0 0 327.428 4.046 10 0 EIAERN CCCCc1c(C(=O)Nc2ccccc2)c(C)nc(C)c1C(=O)OC ZINC000196207934 535077924 /nfs/dbraw/zinc/07/79/24/535077924.db2.gz JQQPPXWSXMPLSZ-UHFFFAOYSA-N 0 0 340.423 4.080 10 0 EIAERN Cc1ccc(C(=O)N(C(=O)c2ccc(C)cc2)c2ccccn2)cc1 ZINC000003076923 563471260 /nfs/dbraw/zinc/47/12/60/563471260.db2.gz DXIKYTDUVDBSOV-UHFFFAOYSA-N 0 0 330.387 4.186 10 0 EIAERN Cc1ccc(NC(=O)CCn2c3ccccc3oc2=S)c(O)c1 ZINC000000223772 563829798 /nfs/dbraw/zinc/82/97/98/563829798.db2.gz XNLALHWQJHSMNY-UHFFFAOYSA-N 0 0 328.393 4.007 10 0 EIAERN Fc1ccc(Oc2cc3c[nH]nc3cc2Br)c(F)c1 ZINC000087493622 563974358 /nfs/dbraw/zinc/97/43/58/563974358.db2.gz HNIRRQIMHKSRHT-UHFFFAOYSA-N 0 0 325.112 4.396 10 0 EIAERN CC(C)(C)OC(=O)NCc1cccc(C(=O)Cc2ccc(F)cc2)c1 ZINC000095917832 563977751 /nfs/dbraw/zinc/97/77/51/563977751.db2.gz GQUPELKSNJLPTJ-UHFFFAOYSA-N 0 0 343.398 4.276 10 0 EIAERN c1cnn(-c2cccc(CNc3ccc(-c4csnn4)cc3)c2)c1 ZINC000119708404 563983445 /nfs/dbraw/zinc/98/34/45/563983445.db2.gz HQMYCPCFNFAZLP-UHFFFAOYSA-N 0 0 333.420 4.003 10 0 EIAERN CC[C@H]1CCCCN1C(=O)c1cnn(-c2ccccc2)c1-n1cccc1 ZINC000015681229 564070786 /nfs/dbraw/zinc/07/07/86/564070786.db2.gz GHWUBFGYSTWZGD-KRWDZBQOSA-N 0 0 348.450 4.068 10 0 EIAERN C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(F)cc2)cc1N ZINC000226266465 564117272 /nfs/dbraw/zinc/11/72/72/564117272.db2.gz QZXUPRZKHVSHRK-CYBMUJFWSA-N 0 0 327.403 4.039 10 0 EIAERN O=C1c2ccccc2[C@](O)(c2ccc(Cl)cc2)N1C1CCCCC1 ZINC000048523033 564129254 /nfs/dbraw/zinc/12/92/54/564129254.db2.gz PDXRIBWWSJXEGB-HXUWFJFHSA-N 0 0 341.838 4.322 10 0 EIAERN N=C1O[C@@H](C(Cl)(Cl)Cl)N(c2ccc(Cl)cc2)C1=S ZINC000048547102 564129392 /nfs/dbraw/zinc/12/93/92/564129392.db2.gz WVNCRWHAPYOXPB-VIFPVBQESA-N 0 0 344.050 4.178 10 0 EIAERN CCOc1ccccc1NC(=O)N1C[C@@H]2CCCN2c2ccccc21 ZINC000020597604 564141704 /nfs/dbraw/zinc/14/17/04/564141704.db2.gz OQNAWJGDSRQRLS-HNNXBMFYSA-N 0 0 337.423 4.106 10 0 EIAERN CC(C)COC(=O)NC[C@H](C)OC(=O)Nc1cccc2ccccc21 ZINC000003176152 564155703 /nfs/dbraw/zinc/15/57/03/564155703.db2.gz KMAFWOJSMPLREH-AWEZNQCLSA-N 0 0 344.411 4.159 10 0 EIAERN CC(C)(C)OC(=O)NC(C)(C)CC(=O)CCCOCc1ccccc1 ZINC000405776960 564177599 /nfs/dbraw/zinc/17/75/99/564177599.db2.gz BNYLGDWUMJBPGG-UHFFFAOYSA-N 0 0 349.471 4.246 10 0 EIAERN C[C@@H](CCC(=O)CCCOCc1ccccc1)NC(=O)OC(C)(C)C ZINC000405842300 564177631 /nfs/dbraw/zinc/17/76/31/564177631.db2.gz XWVHZMRDZMGTPB-INIZCTEOSA-N 0 0 349.471 4.246 10 0 EIAERN Cc1cccc(C(=O)Nc2ccc(N3Cc4ccccc4C3=O)cc2)c1 ZINC000198747330 564177722 /nfs/dbraw/zinc/17/77/22/564177722.db2.gz BUHHUXQJYQOZNZ-UHFFFAOYSA-N 0 0 342.398 4.408 10 0 EIAERN C[C@@H](NC(=O)N1CCC[C@H]1c1cccc(Cl)c1)c1ccncc1 ZINC000120275127 1032194954 /nfs/dbraw/zinc/19/49/54/1032194954.db2.gz ODNZUMZVHJPVKH-DYVFJYSZSA-N 0 0 329.831 4.343 10 0 EIAERN Cc1c2cccc(Cl)c2oc1C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113893336 1021165471 /nfs/dbraw/zinc/16/54/71/1021165471.db2.gz NMNPIBFMQWYDIX-OAHLLOKOSA-N 0 0 343.814 4.485 10 0 EIAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Nc1ccc(C)c(C)c1 ZINC000114564495 1022171164 /nfs/dbraw/zinc/17/11/64/1022171164.db2.gz VLSUYTRAMGTTDR-QGZVFWFLSA-N 0 0 326.444 4.023 10 0 EIAERN Cc1csc(C2CCN(C(=O)c3cc4c(s3)CCC4)CC2)n1 ZINC000102646519 1022591916 /nfs/dbraw/zinc/59/19/16/1022591916.db2.gz NOQKOTYPPVFDLD-UHFFFAOYSA-N 0 0 332.494 4.022 10 0 EIAERN Cc1csc(C2CCN(C(=O)c3c(C)[nH]c4ccccc43)CC2)n1 ZINC000102646422 1022594067 /nfs/dbraw/zinc/59/40/67/1022594067.db2.gz YAWZNQBXXBJLFQ-UHFFFAOYSA-N 0 0 339.464 4.261 10 0 EIAERN Cc1csc(C2CCN(C(=O)C(C)(C)c3cccs3)CC2)n1 ZINC000115357466 1023301264 /nfs/dbraw/zinc/30/12/64/1023301264.db2.gz OEYKADABIJSTCZ-UHFFFAOYSA-N 0 0 334.510 4.197 10 0 EIAERN CCCc1ccc(NC(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)cc1 ZINC000114567048 1029178104 /nfs/dbraw/zinc/17/81/04/1029178104.db2.gz BHIICBYCQOONNP-SFHVURJKSA-N 0 0 340.471 4.358 10 0 EIAERN O=C(Nc1ccc2c(c1)CCC2)N1CCC[C@@H](c2nccs2)C1 ZINC000114805816 1029614939 /nfs/dbraw/zinc/61/49/39/1029614939.db2.gz GJIGPFCBYHQTHT-OAHLLOKOSA-N 0 0 327.453 4.043 10 0 EIAERN O=C(Nc1cc(Cl)ccc1F)N1CCC[C@@H](c2nccs2)C1 ZINC000114806263 1029616102 /nfs/dbraw/zinc/61/61/02/1029616102.db2.gz RQNNAWGGPNHEMC-SNVBAGLBSA-N 0 0 339.823 4.347 10 0 EIAERN O=C(Nc1ccc(Cl)c(F)c1)N1CCC[C@H](c2nccs2)C1 ZINC000114809741 1029621182 /nfs/dbraw/zinc/62/11/82/1029621182.db2.gz KBAHUIMNEZHJGL-JTQLQIEISA-N 0 0 339.823 4.347 10 0 EIAERN C[C@H](CCc1ccccc1)NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000114818518 1029628975 /nfs/dbraw/zinc/62/89/75/1029628975.db2.gz RCTLHMQDZDSUKO-NVXWUHKLSA-N 0 0 343.496 4.053 10 0 EIAERN C[C@H](NC(=O)N1CCC[C@@H](c2nccs2)C1)c1cccc(Cl)c1 ZINC000114819278 1029630158 /nfs/dbraw/zinc/63/01/58/1029630158.db2.gz XCIHZNBKECCDMC-GXTWGEPZSA-N 0 0 349.887 4.447 10 0 EIAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)N(Cc1ccccc1)c1ccccn1 ZINC000117587976 1031148177 /nfs/dbraw/zinc/14/81/77/1031148177.db2.gz KFSHYXWUKNHWSB-KKSFZXQISA-N 0 0 344.414 4.180 10 0 EIAERN c1csc([C@@H]2CCCN(Cc3csc(-c4ccoc4)n3)C2)n1 ZINC000108362554 1031289856 /nfs/dbraw/zinc/28/98/56/1031289856.db2.gz UGPCRHSOQHSFSY-GFCCVEGCSA-N 0 0 331.466 4.239 10 0 EIAERN CC(=O)c1cccc(NC(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000117954839 1031316802 /nfs/dbraw/zinc/31/68/02/1031316802.db2.gz AQNPUCVVRYGGJU-UHFFFAOYSA-N 0 0 326.421 4.272 10 0 EIAERN Cc1cc(NC(=O)N2CC=C(c3cccs3)CC2)ccc1N(C)C ZINC000118011583 1031339130 /nfs/dbraw/zinc/33/91/30/1031339130.db2.gz UVXMVMSQVXPTEB-UHFFFAOYSA-N 0 0 341.480 4.444 10 0 EIAERN C[C@H](NC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1)C(C)(C)C ZINC000112461373 1031347862 /nfs/dbraw/zinc/34/78/62/1031347862.db2.gz RGVPKOPEBAGYGP-UONOGXRCSA-N 0 0 329.444 4.151 10 0 EIAERN O=C([C@@H]1CC=CCC1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218303 1031358152 /nfs/dbraw/zinc/35/81/52/1031358152.db2.gz NLROAPGNRJVALA-QZTJIDSGSA-N 0 0 335.451 4.139 10 0 EIAERN CCC(C)(C)C(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113219610 1031358716 /nfs/dbraw/zinc/35/87/16/1031358716.db2.gz IHJFZLVJHHSSTR-INIZCTEOSA-N 0 0 325.456 4.219 10 0 EIAERN O=C([C@H]1CC=CCC1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218302 1031359175 /nfs/dbraw/zinc/35/91/75/1031359175.db2.gz NLROAPGNRJVALA-ROUUACIJSA-N 0 0 335.451 4.139 10 0 EIAERN CC(C)[C@H](C)NC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113578133 1031361752 /nfs/dbraw/zinc/36/17/52/1031361752.db2.gz IQXQKCYFYJKMFV-DOTOQJQBSA-N 0 0 340.471 4.010 10 0 EIAERN CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000114828927 1031375055 /nfs/dbraw/zinc/37/50/55/1031375055.db2.gz JWEZLDWKPQCYQB-DLBZAZTESA-N 0 0 343.496 4.053 10 0 EIAERN CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000114828925 1031375896 /nfs/dbraw/zinc/37/58/96/1031375896.db2.gz JWEZLDWKPQCYQB-IRXDYDNUSA-N 0 0 343.496 4.053 10 0 EIAERN O=C(Nc1cccc(NC(=O)[C@H]2C[C@H]2c2ccco2)c1)c1ccccc1 ZINC000121794755 1031438284 /nfs/dbraw/zinc/43/82/84/1031438284.db2.gz FOSBGEOGXXZBNQ-MSOLQXFVSA-N 0 0 346.386 4.274 10 0 EIAERN CCc1ccc(/C=C/C(=O)N2CCC(c3nc(C)cs3)CC2)o1 ZINC000124395653 1031524337 /nfs/dbraw/zinc/52/43/37/1031524337.db2.gz KERUGVKGLWYEJQ-VOTSOKGWSA-N 0 0 330.453 4.026 10 0 EIAERN CCCOc1ccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000125110037 1031573211 /nfs/dbraw/zinc/57/32/11/1031573211.db2.gz CNDMJMKCXBUTIX-CQSZACIVSA-N 0 0 345.468 4.343 10 0 EIAERN CC(C)(C)[C@H](NC(=O)N1CCO[C@H](c2ccco2)C1)c1cccs1 ZINC000128846491 1031761262 /nfs/dbraw/zinc/76/12/62/1031761262.db2.gz SEAQGWYBGZBYOY-GOEBONIOSA-N 0 0 348.468 4.211 10 0 EIAERN COc1ccc(F)c(NC(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000088406267 1038957988 /nfs/dbraw/zinc/95/79/88/1038957988.db2.gz JSCOGUDOMPVQRP-UHFFFAOYSA-N 0 0 332.400 4.217 10 0 EIAERN Cn1cc(C(=O)N2CC=C(c3cccs3)CC2)c(-c2ccccc2)n1 ZINC000093237885 1039648724 /nfs/dbraw/zinc/64/87/24/1039648724.db2.gz DIIYFYQJWLCFMZ-UHFFFAOYSA-N 0 0 349.459 4.078 10 0 EIAERN CC(C)(C)c1nnc(NC(=O)N2CC=C(c3ccccc3)CC2)s1 ZINC000056737302 1042845673 /nfs/dbraw/zinc/84/56/73/1042845673.db2.gz IGYQOHMIYWESPZ-UHFFFAOYSA-N 0 0 342.468 4.157 10 0 EIAERN O=C(C[C@@H]1C=CCC1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113219100 1043288887 /nfs/dbraw/zinc/28/88/87/1043288887.db2.gz UHSDLFUMKVMPBF-AEFFLSMTSA-N 0 0 335.451 4.139 10 0 EIAERN O=C(c1cccs1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218016 1043292710 /nfs/dbraw/zinc/29/27/10/1043292710.db2.gz GVMUBJHQRFQXNH-HNNXBMFYSA-N 0 0 337.448 4.158 10 0 EIAERN Cc1cc2[nH]c(C(=O)N3CCC[C@@H](c4nccs4)C3)cc2c(C)c1 ZINC000067048546 1045740269 /nfs/dbraw/zinc/74/02/69/1045740269.db2.gz SJHDGQNLDQOHPE-CQSZACIVSA-N 0 0 339.464 4.261 10 0 EIAERN CC[C@@H](NC(=O)N1CCO[C@H](c2cccc(F)c2)C1)c1cccs1 ZINC000067406594 1045741801 /nfs/dbraw/zinc/74/18/01/1045741801.db2.gz DRWRZHBOJPNTJB-CVEARBPZSA-N 0 0 348.443 4.121 10 0 EIAERN COc1ccc([C@H]2CCCN2C(=O)CSc2cccs2)cc1 ZINC000073573245 1045807070 /nfs/dbraw/zinc/80/70/70/1045807070.db2.gz YIXZWFWOFQHSFS-OAHLLOKOSA-N 0 0 333.478 4.213 10 0 EIAERN Cn1cccc1[C@@H]1CCCN1C(=O)c1csc(-c2ccsc2)n1 ZINC000073801894 1045810680 /nfs/dbraw/zinc/81/06/80/1045810680.db2.gz CQARDJNSIHDNFI-HNNXBMFYSA-N 0 0 343.477 4.187 10 0 EIAERN Cn1cccc1[C@H]1CCCN1C(=O)c1csc(-c2ccsc2)n1 ZINC000073801895 1045811236 /nfs/dbraw/zinc/81/12/36/1045811236.db2.gz CQARDJNSIHDNFI-OAHLLOKOSA-N 0 0 343.477 4.187 10 0 EIAERN CC(C)CO[C@@H](C)c1noc(CN2CC=C(c3cccs3)CC2)n1 ZINC000074991121 1045821462 /nfs/dbraw/zinc/82/14/62/1045821462.db2.gz PFZLVPFDIAHFEA-AWEZNQCLSA-N 0 0 347.484 4.154 10 0 EIAERN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)[C@]1(C)CC1(Cl)Cl ZINC000076519632 1045897280 /nfs/dbraw/zinc/89/72/80/1045897280.db2.gz NKFFIPXDMNIOIV-HCKVZZMMSA-N 0 0 330.230 4.114 10 0 EIAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)CCc3ccsc3)C2)cc1 ZINC000078188368 1046010209 /nfs/dbraw/zinc/01/02/09/1046010209.db2.gz WRFJQIVYQIQRQV-RHSMWYFYSA-N 0 0 329.465 4.094 10 0 EIAERN CCOc1ccc(C(=O)N(C)Cc2ccc(SC)cc2)cc1OC ZINC000097629417 219041805 /nfs/dbraw/zinc/04/18/05/219041805.db2.gz LICQHUUUFRYBHH-UHFFFAOYSA-N 0 0 345.464 4.088 10 0 EIAERN CCCNc1snnc1CSc1ccc(Br)cc1 ZINC000050838040 214071771 /nfs/dbraw/zinc/07/17/71/214071771.db2.gz JMCXRQHYUYCCSU-UHFFFAOYSA-N 0 0 344.303 4.415 10 0 EIAERN Cc1cc(Br)ccc1Oc1cc(Cl)ccc1C(N)=O ZINC000063063194 214742424 /nfs/dbraw/zinc/74/24/24/214742424.db2.gz DJEHYTZDHHSBJS-UHFFFAOYSA-N 0 0 340.604 4.302 10 0 EIAERN Cc1sc(C(=O)Nc2cc(Br)ccc2Cl)cc1N ZINC000061690737 214671568 /nfs/dbraw/zinc/67/15/68/214671568.db2.gz DDGDYGDPLYPNNY-UHFFFAOYSA-N 0 0 345.649 4.307 10 0 EIAERN CC(C)(C)C(=O)N1CCC[C@@H](c2ccnc(-c3cccc(F)c3)n2)C1 ZINC000065135766 214831662 /nfs/dbraw/zinc/83/16/62/214831662.db2.gz GJGBIHGVSSFDAL-OAHLLOKOSA-N 0 0 341.430 4.035 10 0 EIAERN CC1=NN(c2ccccc2)C(=O)[C@]12O[C@H]2c1ccc(Cl)cc1Cl ZINC000004276793 210159382 /nfs/dbraw/zinc/15/93/82/210159382.db2.gz SZTXBSVQOKSIKW-RDJZCZTQSA-N 0 0 347.201 4.226 10 0 EIAERN Fc1cccc(-c2ncc(I)cc2Cl)c1 ZINC000047203754 213836919 /nfs/dbraw/zinc/83/69/19/213836919.db2.gz JSUOCPHHRBLYSH-UHFFFAOYSA-N 0 0 333.531 4.146 10 0 EIAERN O=C1c2cc(Br)ccc2C[C@]12CCc1ccccc1C2 ZINC000066054852 215004071 /nfs/dbraw/zinc/00/40/71/215004071.db2.gz NPDFCMNICKTWFJ-GOSISDBHSA-N 0 0 327.221 4.363 10 0 EIAERN CC(C)(C)OC(=O)N1CCC2(CC(=O)c3cc(Cl)ccc32)CC1 ZINC000044136743 213610163 /nfs/dbraw/zinc/61/01/63/213610163.db2.gz SWHXDYFSWFMRCG-UHFFFAOYSA-N 0 0 335.831 4.195 10 0 EIAERN CC(C)(Oc1ccc(F)cc1)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000042850673 213537008 /nfs/dbraw/zinc/53/70/08/213537008.db2.gz WSOQRWHMLPJWSW-DGCLKSJQSA-N 0 0 347.352 4.220 10 0 EIAERN CCNc1c2cc(I)ccc2[nH+]c(C)c1CC ZINC000103972611 219334193 /nfs/dbraw/zinc/33/41/93/219334193.db2.gz AMPWKMUIIBVKNB-UHFFFAOYSA-N 0 0 340.208 4.142 10 0 EIAERN Cc1cc(F)ccc1CNc1ccccc1I ZINC000104032995 219341490 /nfs/dbraw/zinc/34/14/90/219341490.db2.gz KKEYVGAXGWRNDM-UHFFFAOYSA-N 0 0 341.167 4.351 10 0 EIAERN COc1cc(Oc2ccc(Br)cc2C)c(N)cc1F ZINC000104133977 219350014 /nfs/dbraw/zinc/35/00/14/219350014.db2.gz UZKFCMYLODGEBL-UHFFFAOYSA-N 0 0 326.165 4.280 10 0 EIAERN Cc1ccc(C)c(OCC(=O)Nc2ccnc3c(C)c(C)ccc23)c1 ZINC000041058011 213412254 /nfs/dbraw/zinc/41/22/54/213412254.db2.gz WBLRFRVYSIWTJN-UHFFFAOYSA-N 0 0 334.419 4.486 10 0 EIAERN CC[C@H]1CCCC[C@H]1OC(=O)c1cc(Br)ccc1N ZINC000104169997 219354712 /nfs/dbraw/zinc/35/47/12/219354712.db2.gz FNPPWJRZILZCST-IINYFYTJSA-N 0 0 326.234 4.157 10 0 EIAERN CC[C@@H]1CCCC[C@H]1OC(=O)c1cc(Br)ccc1N ZINC000104169993 219355032 /nfs/dbraw/zinc/35/50/32/219355032.db2.gz FNPPWJRZILZCST-QMTHXVAHSA-N 0 0 326.234 4.157 10 0 EIAERN COc1ccc2[nH]cc(C(=O)c3sccc3Br)c2c1 ZINC000104294003 219371740 /nfs/dbraw/zinc/37/17/40/219371740.db2.gz WJERXXNFWBZBGC-UHFFFAOYSA-N 0 0 336.210 4.232 10 0 EIAERN CC(C)c1ccc(/C=C/C(=O)Nc2nnc([C@@H]3CCCO3)s2)cc1 ZINC000040884355 213397663 /nfs/dbraw/zinc/39/76/63/213397663.db2.gz KKOMCJOLORDYFP-VSGCLNPGSA-N 0 0 343.452 4.165 10 0 EIAERN Cc1cc(C)c(C)c(OCC(=O)Nc2nc3ccccc3s2)c1 ZINC000040868567 213396075 /nfs/dbraw/zinc/39/60/75/213396075.db2.gz PQMLGESGVNESNS-UHFFFAOYSA-N 0 0 326.421 4.239 10 0 EIAERN Nc1c(Nc2ccc(Cl)cc2)ncnc1Nc1ccc(F)cc1F ZINC000040782203 213386594 /nfs/dbraw/zinc/38/65/94/213386594.db2.gz HHGRPLLUMLKYJS-UHFFFAOYSA-N 0 0 347.756 4.478 10 0 EIAERN Nc1c(Nc2cccc(Cl)c2)ncnc1Nc1ccccc1F ZINC000040759158 213382723 /nfs/dbraw/zinc/38/27/23/213382723.db2.gz XXDXSFCNUGYDOU-UHFFFAOYSA-N 0 0 329.766 4.339 10 0 EIAERN CC(C)CN(CC(C)C)c1ncnc(Nc2ccccc2F)c1N ZINC000040735589 213378350 /nfs/dbraw/zinc/37/83/50/213378350.db2.gz SFMMMMSJWCGMIC-UHFFFAOYSA-N 0 0 331.439 4.060 10 0 EIAERN Nc1c(Nc2cccc3ccccc32)ncnc1N1CCCCCC1 ZINC000040725457 213376001 /nfs/dbraw/zinc/37/60/01/213376001.db2.gz UHBTWYBCGIBFSB-UHFFFAOYSA-N 0 0 333.439 4.336 10 0 EIAERN Cc1ccc(Cl)cc1Nc1ncnc(N2CCCCCC2)c1N ZINC000040704801 213372440 /nfs/dbraw/zinc/37/24/40/213372440.db2.gz ORALAMMZGMSHIF-UHFFFAOYSA-N 0 0 331.851 4.145 10 0 EIAERN Cc1ccnc(Nc2ncnc(Nc3ccc(Cl)cc3C)c2N)c1 ZINC000040701211 213372366 /nfs/dbraw/zinc/37/23/66/213372366.db2.gz MCRLXIDCSOFLBV-UHFFFAOYSA-N 0 0 340.818 4.211 10 0 EIAERN Cc1cc(Cl)ccc1Nc1[nH]cnc(=NNc2ccccc2)c1N ZINC000040703231 213372385 /nfs/dbraw/zinc/37/23/85/213372385.db2.gz AQNQNZGIBKGFET-UHFFFAOYSA-N 0 0 340.818 4.203 10 0 EIAERN CCc1ccccc1Nc1ncnc(Nc2ccc(Cl)cn2)c1N ZINC000040688259 213369800 /nfs/dbraw/zinc/36/98/00/213369800.db2.gz AKGFBTOMROKSKK-UHFFFAOYSA-N 0 0 340.818 4.157 10 0 EIAERN CCc1ccccc1Nc1ncnc(Nc2ccc(F)cc2F)c1N ZINC000040688347 213369927 /nfs/dbraw/zinc/36/99/27/213369927.db2.gz UZZNTSYOVPPXSQ-UHFFFAOYSA-N 0 0 341.365 4.387 10 0 EIAERN Cc1ccc(Nc2ncnc(Nc3ccc(C)c(Cl)c3)c2N)nc1 ZINC000040703843 213372069 /nfs/dbraw/zinc/37/20/69/213372069.db2.gz AKDFXNSKWJFHLV-UHFFFAOYSA-N 0 0 340.818 4.211 10 0 EIAERN Cc1ccnc(Nc2ncnc(Nc3ccc(C)c(Cl)c3)c2N)c1 ZINC000040701212 213371391 /nfs/dbraw/zinc/37/13/91/213371391.db2.gz PSXCBJMDCCOGQM-UHFFFAOYSA-N 0 0 340.818 4.211 10 0 EIAERN CCN(c1cccc(C)c1)c1ncnc(N(C)c2ccccc2)c1N ZINC000040661780 213365332 /nfs/dbraw/zinc/36/53/32/213365332.db2.gz OZNRTMGUZSSFRO-UHFFFAOYSA-N 0 0 333.439 4.293 10 0 EIAERN COC(=O)c1c(NC(=O)C(C)C)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000001953246 209808041 /nfs/dbraw/zinc/80/80/41/209808041.db2.gz QNQCUUAHAFUJEZ-LLVKDONJSA-N 0 0 337.485 4.280 10 0 EIAERN CCOCCn1c(COc2ccccc2)nc2ccc(Cl)cc21 ZINC000040405198 213299015 /nfs/dbraw/zinc/29/90/15/213299015.db2.gz HVRDDVWFHUYQQZ-UHFFFAOYSA-N 0 0 330.815 4.305 10 0 EIAERN CCc1ccccc1NC(=O)c1cnc2c(C)c(Cl)ccc2c1O ZINC000040359383 213293232 /nfs/dbraw/zinc/29/32/32/213293232.db2.gz UQLOZUCIJUVQAL-UHFFFAOYSA-N 0 0 340.810 4.305 10 0 EIAERN Cc1cc2nc(CCO)n(Cc3cccc4ccccc43)c2cc1C ZINC000040310702 213291451 /nfs/dbraw/zinc/29/14/51/213291451.db2.gz GNOBSGJOWHUSIF-UHFFFAOYSA-N 0 0 330.431 4.389 10 0 EIAERN Cc1cccc(C)c1OCCCn1c(CO)nc2cc(C)c(C)cc21 ZINC000040308999 213290793 /nfs/dbraw/zinc/29/07/93/213290793.db2.gz BZUMUXPANHVAGN-UHFFFAOYSA-N 0 0 338.451 4.231 10 0 EIAERN CC(C)C(=O)NCc1nc2ccccc2n1CCC1CCCCC1 ZINC000040274734 213286912 /nfs/dbraw/zinc/28/69/12/213286912.db2.gz JVVPAUCYPSUEEI-UHFFFAOYSA-N 0 0 327.472 4.279 10 0 EIAERN CCN(C(=O)Cn1c2ccccc2nc1C(C)(C)C)c1ccccc1 ZINC000040239306 213285157 /nfs/dbraw/zinc/28/51/57/213285157.db2.gz RAZMLIKEMKMNLQ-UHFFFAOYSA-N 0 0 335.451 4.387 10 0 EIAERN CCCCn1c(CCCCCNC(=O)C(C)C)nc2ccccc21 ZINC000040211724 213281690 /nfs/dbraw/zinc/28/16/90/213281690.db2.gz RKLNOJWSGRDUTM-UHFFFAOYSA-N 0 0 329.488 4.321 10 0 EIAERN Cc1ccc(C(=O)NCCc2nc3ccccc3n2CCC(C)C)cc1 ZINC000040200091 213280838 /nfs/dbraw/zinc/28/08/38/213280838.db2.gz MICQATBRABAPNE-UHFFFAOYSA-N 0 0 349.478 4.363 10 0 EIAERN CCc1ccc2oc(C(=O)Nc3ccccc3C(=O)OC)c(C)c2c1 ZINC000040037323 213252746 /nfs/dbraw/zinc/25/27/46/213252746.db2.gz MJWNZBKFDMDPAL-UHFFFAOYSA-N 0 0 337.375 4.343 10 0 EIAERN CSc1nnc(NC(=O)c2sc3ccccc3c2Cl)s1 ZINC000039989307 213248546 /nfs/dbraw/zinc/24/85/46/213248546.db2.gz LKVOFVGNLXPBGS-UHFFFAOYSA-N 0 0 341.870 4.380 10 0 EIAERN O=c1ccc2c(ccn2Cc2ccc(F)cc2F)n1-c1ccccc1 ZINC000038493359 213211201 /nfs/dbraw/zinc/21/12/01/213211201.db2.gz DEEZBWMDECPNSF-UHFFFAOYSA-N 0 0 336.341 4.119 10 0 EIAERN CCCSc1nnc(-c2ccccc2O)n1-c1ccccc1C ZINC000038174743 213205249 /nfs/dbraw/zinc/20/52/49/213205249.db2.gz JEDRHTBAXYGKCY-UHFFFAOYSA-N 0 0 325.437 4.450 10 0 EIAERN CC[C@H](C)NC(=O)CCN[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000038013670 213189833 /nfs/dbraw/zinc/18/98/33/213189833.db2.gz URQYCELVWFTEAG-UWVGGRQHSA-N 0 0 335.250 4.088 10 0 EIAERN CCc1c(C)nc(-c2cc(Br)ccc2OC)nc1Cl ZINC000038004084 213187457 /nfs/dbraw/zinc/18/74/57/213187457.db2.gz IOQHGEOLVVIYII-UHFFFAOYSA-N 0 0 341.636 4.439 10 0 EIAERN C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)c1nc(Cl)ccc1Cl)C2 ZINC000037980559 213181403 /nfs/dbraw/zinc/18/14/03/213181403.db2.gz JHIRYCOMHNWDRW-QLJPJBMISA-N 0 0 327.255 4.429 10 0 EIAERN CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)c1ccccc1Br)C2 ZINC000037493262 213149091 /nfs/dbraw/zinc/14/90/91/213149091.db2.gz MRGOTFASTSIMCQ-FABXCBLPSA-N 0 0 336.273 4.394 10 0 EIAERN COc1ccc(C(=O)c2ccc(Cl)cc2)c(Br)c1 ZINC000037444589 213148358 /nfs/dbraw/zinc/14/83/58/213148358.db2.gz CJKMCAMFLZUFBC-UHFFFAOYSA-N 0 0 325.589 4.342 10 0 EIAERN Nc1ccc(Cl)cc1NC(=O)c1cc(F)cc(Br)c1 ZINC000037025733 213129621 /nfs/dbraw/zinc/12/96/21/213129621.db2.gz ATCLCYPYKBUULF-UHFFFAOYSA-N 0 0 343.583 4.076 10 0 EIAERN Nc1nc2cc(Cl)ccc2n1-c1ccc(Br)cc1F ZINC000036890054 213126440 /nfs/dbraw/zinc/12/64/40/213126440.db2.gz GCQFRCCAALOCTJ-UHFFFAOYSA-N 0 0 340.583 4.163 10 0 EIAERN NC(=O)c1cccc(-c2cncc(NCc3cccc(Cl)c3)c2)c1 ZINC000035789548 213049297 /nfs/dbraw/zinc/04/92/97/213049297.db2.gz VTYIKNNXHBYXQD-UHFFFAOYSA-N 0 0 337.810 4.113 10 0 EIAERN Cc1ccc(NC(=O)CCn2c(=O)cc(C)c3cccc(C)c32)c(C)c1 ZINC000032526920 212808464 /nfs/dbraw/zinc/80/84/64/212808464.db2.gz YABOUWILFGWNHF-UHFFFAOYSA-N 0 0 348.446 4.264 10 0 EIAERN COc1ccccc1-c1nc(Br)c(Br)s1 ZINC000072192871 216067984 /nfs/dbraw/zinc/06/79/84/216067984.db2.gz SBQYPPJYSOQAMN-UHFFFAOYSA-N 0 0 349.047 4.344 10 0 EIAERN COc1ccc(N[C@H](C)c2ccc(F)c(Br)c2)cn1 ZINC000037185643 213135093 /nfs/dbraw/zinc/13/50/93/213135093.db2.gz DTOWLXRRYZKACC-SECBINFHSA-N 0 0 325.181 4.165 10 0 EIAERN COc1cccc(C(=O)Nc2cccc(-c3cn4ccsc4n3)c2)c1 ZINC000000203496 209482145 /nfs/dbraw/zinc/48/21/45/209482145.db2.gz RGTVDYXFVSMWIK-UHFFFAOYSA-N 0 0 349.415 4.324 10 0 EIAERN O=C(Nc1ccc(F)cc1)c1ccc(-c2ccc(Cl)cc2)[nH]c1=O ZINC000072450806 216238391 /nfs/dbraw/zinc/23/83/91/216238391.db2.gz DXZLGWXASZMYBQ-UHFFFAOYSA-N 0 0 342.757 4.087 10 0 EIAERN Cc1cccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)[nH]c2=O)c1 ZINC000072450798 216239174 /nfs/dbraw/zinc/23/91/74/216239174.db2.gz DHXLNFXICIEQAD-UHFFFAOYSA-N 0 0 338.794 4.256 10 0 EIAERN Cc1ccc(Nc2nc3nccc(-c4ccccc4)c3c(=O)[nH]2)cc1C ZINC000072440023 216234404 /nfs/dbraw/zinc/23/44/04/216234404.db2.gz IBHVIXXUKDFPCD-UHFFFAOYSA-N 0 0 342.402 4.346 10 0 EIAERN Cc1ccccc1Nc1nc2nccc(-c3ccsc3)c2c(=O)[nH]1 ZINC000072441175 216234984 /nfs/dbraw/zinc/23/49/84/216234984.db2.gz NKJHTGYGNNNVHU-UHFFFAOYSA-N 0 0 334.404 4.099 10 0 EIAERN CCOc1ccc(N2C(=O)S/C(=C/C=C/c3ccco3)C2=O)cc1 ZINC000027533608 212561616 /nfs/dbraw/zinc/56/16/16/212561616.db2.gz TVMZRBZLPSQZDJ-FWPHUCDGSA-N 0 0 341.388 4.475 10 0 EIAERN CCc1c(C)nc(Cc2ccc(Br)cc2)nc1Cl ZINC000038004043 213187577 /nfs/dbraw/zinc/18/75/77/213187577.db2.gz NWITVTAYZIHOMI-UHFFFAOYSA-N 0 0 325.637 4.354 10 0 EIAERN Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Br ZINC000211493785 241081642 /nfs/dbraw/zinc/08/16/42/241081642.db2.gz CLSVAGRZNRQKBT-UHFFFAOYSA-N 0 0 337.057 4.070 10 0 EIAERN O=C(NCc1cc(F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O ZINC000201355605 241040339 /nfs/dbraw/zinc/04/03/39/241040339.db2.gz SXFVHPBIZYWESO-UHFFFAOYSA-N 0 0 347.695 4.134 10 0 EIAERN Cc1cc(OCC(=O)Nc2ccc(Cl)cc2N)cc(C)c1Cl ZINC000226359291 242101272 /nfs/dbraw/zinc/10/12/72/242101272.db2.gz DVSBCELCFQBSRW-UHFFFAOYSA-N 0 0 339.222 4.210 10 0 EIAERN Cc1cc(C)c(OCC(=O)Nc2c(N)cccc2Cl)c(Cl)c1 ZINC000226359323 242102458 /nfs/dbraw/zinc/10/24/58/242102458.db2.gz ZYVPCBIGKXUNNX-UHFFFAOYSA-N 0 0 339.222 4.210 10 0 EIAERN Cc1cc(N)cc(Br)c1NC(=O)/C=C/c1cccs1 ZINC000226763656 242114421 /nfs/dbraw/zinc/11/44/21/242114421.db2.gz DCOROFMCJAVEMM-SNAWJCMRSA-N 0 0 337.242 4.053 10 0 EIAERN CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(N)cc2Cl)cc1 ZINC000226238223 242091004 /nfs/dbraw/zinc/09/10/04/242091004.db2.gz ZYCXSUHUCHTNRJ-UHFFFAOYSA-N 0 0 347.871 4.172 10 0 EIAERN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc([C@@H](C)O)c1 ZINC000226274398 242092251 /nfs/dbraw/zinc/09/22/51/242092251.db2.gz PORMLTLMZGGHQK-SECBINFHSA-N 0 0 340.206 4.308 10 0 EIAERN CCOc1cc(NC(=O)c2ccc(CC)cc2)cc2sc(N)nc21 ZINC000226309860 242095840 /nfs/dbraw/zinc/09/58/40/242095840.db2.gz BABOSENLGRPZSR-UHFFFAOYSA-N 0 0 341.436 4.092 10 0 EIAERN FC(F)(F)c1nnc2sc(-c3ccc4c5c(cccc53)CC4)nn21 ZINC000226298648 242097079 /nfs/dbraw/zinc/09/70/79/242097079.db2.gz WANIIRGAAAEGDN-UHFFFAOYSA-N 0 0 346.337 4.123 10 0 EIAERN CC(=O)Nc1ccc(S[C@@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000229475554 242166149 /nfs/dbraw/zinc/16/61/49/242166149.db2.gz CWIREUOYRDTFPL-KHSSZTOVSA-N 0 0 348.512 4.067 10 0 EIAERN O=C(Nc1ccc(NC(=O)C2CCCCC2)cc1O)c1ccccc1 ZINC000021145450 212211583 /nfs/dbraw/zinc/21/15/83/212211583.db2.gz LYFYZNBGZMIURI-UHFFFAOYSA-N 0 0 338.407 4.163 10 0 EIAERN OCCCNc1ncnc2scc(-c3ccc4c(c3)CCCC4)c21 ZINC000020323426 212119684 /nfs/dbraw/zinc/11/96/84/212119684.db2.gz MAWUFBYSBLCADU-UHFFFAOYSA-N 0 0 339.464 4.031 10 0 EIAERN C[C@H]1[C@H](NC(=O)c2ccc(Br)cc2F)CCC[C@@H]1C ZINC000019806825 212071163 /nfs/dbraw/zinc/07/11/63/212071163.db2.gz OJOVPJZQHQLDIZ-IMSIIYSGSA-N 0 0 328.225 4.143 10 0 EIAERN Cc1ccc(N)c(C)c1NC(=O)c1ccc(F)cc1Br ZINC000019476546 212031104 /nfs/dbraw/zinc/03/11/04/212031104.db2.gz AQYZTJLAKQWJFB-UHFFFAOYSA-N 0 0 337.192 4.040 10 0 EIAERN Cc1ncsc1CCOCc1ccc(F)cc1Br ZINC000049600949 214021402 /nfs/dbraw/zinc/02/14/02/214021402.db2.gz IXRWDBKLPLHYPP-UHFFFAOYSA-N 0 0 330.222 4.112 10 0 EIAERN FC(F)(F)c1cccc(Oc2ncccc2CNc2ncccn2)c1 ZINC000012449497 211386491 /nfs/dbraw/zinc/38/64/91/211386491.db2.gz ZHOGEPRFQPBQRQ-UHFFFAOYSA-N 0 0 346.312 4.295 10 0 EIAERN CCOC(=O)c1sc2ncnc(Nc3ccccc3CC)c2c1C ZINC000012084624 211288607 /nfs/dbraw/zinc/28/86/07/211288607.db2.gz MEBJRCBSPALLGY-UHFFFAOYSA-N 0 0 341.436 4.482 10 0 EIAERN COc1cccc(NC(=O)N2CCn3c(C)ccc3[C@H]2C(C)C)c1 ZINC000009528324 211098082 /nfs/dbraw/zinc/09/80/82/211098082.db2.gz GWRRSAYOVGKDLK-GOSISDBHSA-N 0 0 327.428 4.050 10 0 EIAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CCCOCc1cccnc1 ZINC000095086296 218277382 /nfs/dbraw/zinc/27/73/82/218277382.db2.gz XJJHZVXMCQPYKO-QGZVFWFLSA-N 0 0 334.460 4.168 10 0 EIAERN CC(C)(C)OC(=O)N1CCCC(=O)c2cc(C(F)(F)F)ccc21 ZINC000095626890 218446003 /nfs/dbraw/zinc/44/60/03/218446003.db2.gz GZDDPRBLZDAXRU-UHFFFAOYSA-N 0 0 329.318 4.423 10 0 EIAERN O=c1c2cccc(O)c2nc(/C=C/c2ccccc2)n1-c1ccccc1 ZINC000095932550 218450378 /nfs/dbraw/zinc/45/03/78/218450378.db2.gz ZHQOOAVNZCUNHC-CCEZHUSRSA-N 0 0 340.382 4.262 10 0 EIAERN COc1ccc(N2C(=O)[C@@H]3CC=CC=C3N[C@H]2c2ccc(C)cc2)cc1 ZINC000095934905 218451020 /nfs/dbraw/zinc/45/10/20/218451020.db2.gz DJVPIJKMBBCFBN-TZIWHRDSSA-N 0 0 346.430 4.099 10 0 EIAERN CC(C)COC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000005481755 210473383 /nfs/dbraw/zinc/47/33/83/210473383.db2.gz FIYQUYKRKULMEW-UHFFFAOYSA-N 0 0 345.826 4.334 10 0 EIAERN CCC1=Nc2cc(C(=O)NCCOC)ccc2Sc2ccccc21 ZINC000004929416 210328160 /nfs/dbraw/zinc/32/81/60/210328160.db2.gz ZWOUJZBBLIZFNY-UHFFFAOYSA-N 0 0 340.448 4.058 10 0 EIAERN C[C@]12CC[C@H]3[C@@H](CCC4=CC5(CC[C@@]43C)OCCO5)[C@@H]1CC[C@H]2O ZINC000118912712 221202281 /nfs/dbraw/zinc/20/22/81/221202281.db2.gz FUOKARGLKLNTHY-OROIIQQLSA-N 0 0 332.484 4.053 10 0 EIAERN C[C@]12CC[C@H]3[C@@H](C=CC4=C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@]21CCC(=O)O1 ZINC000118914493 221203078 /nfs/dbraw/zinc/20/30/78/221203078.db2.gz BFKPXLDFMBGVDL-VAHRBOLPSA-N 0 0 342.479 4.162 10 0 EIAERN C[C@@H](Oc1cccc(F)c1)c1nnc([C@H]2CCO[C@@H]2C(C)(C)C)o1 ZINC000299742325 258009068 /nfs/dbraw/zinc/00/90/68/258009068.db2.gz BFCOPISOZGCZOS-UGFHNGPFSA-N 0 0 334.391 4.267 10 0 EIAERN CCn1nc(-c2cccc(OC)c2)cc1C(=O)N[C@H](C)c1ccccc1 ZINC000034903188 563484204 /nfs/dbraw/zinc/48/42/04/563484204.db2.gz KXOWLYUNBGTJRV-OAHLLOKOSA-N 0 0 349.434 4.070 10 0 EIAERN CN1CCO[C@]12CC[C@@H]1[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000005748798 563548803 /nfs/dbraw/zinc/54/88/03/563548803.db2.gz CZGMCXMFKOCFDA-IMHAECHTSA-N 0 0 347.543 4.048 10 0 EIAERN C[C@H]1[C@@H](CO)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000136708444 563874461 /nfs/dbraw/zinc/87/44/61/563874461.db2.gz MHDNNWKUMQPYBF-OAFZIFGRSA-N 0 0 329.443 4.044 10 0 EIAERN CCc1ccc(-n2c(C)nc3cc(C(=O)N[C@H](C)CC)ccc32)cc1 ZINC000000216234 563988688 /nfs/dbraw/zinc/98/86/88/563988688.db2.gz JSQIUZVWGJJARA-CQSZACIVSA-N 0 0 335.451 4.425 10 0 EIAERN Cc1noc(C)c1COc1ccc(/C=C/C(=O)OC(C)(C)C)cc1 ZINC000725273867 563988789 /nfs/dbraw/zinc/98/87/89/563988789.db2.gz OOWQABSJBBNCRC-DHZHZOJOSA-N 0 0 329.396 4.225 10 0 EIAERN COC(=O)c1cc2c(C)c(Br)c(C)cc2nc1Cl ZINC000675051924 564052398 /nfs/dbraw/zinc/05/23/98/564052398.db2.gz XTNXSUHWBBNYKD-UHFFFAOYSA-N 0 0 328.593 4.054 10 0 EIAERN C[C@H](CC(=O)OCc1ccccc1)OCc1nc2ccccc2s1 ZINC000583652948 564075094 /nfs/dbraw/zinc/07/50/94/564075094.db2.gz JHPOGFOFGXKKMO-CQSZACIVSA-N 0 0 341.432 4.335 10 0 EIAERN O=C(Nc1ccc(F)cc1Cl)c1cccc2c1SCCC2=O ZINC000006841445 564099375 /nfs/dbraw/zinc/09/93/75/564099375.db2.gz JSEGTPXQBDJTGZ-UHFFFAOYSA-N 0 0 335.787 4.410 10 0 EIAERN c1nc(-c2cccc(N[C@H](c3ccccc3)c3ccccn3)c2)n[nH]1 ZINC000170593076 564108931 /nfs/dbraw/zinc/10/89/31/564108931.db2.gz DCDFAFADFSZMQM-LJQANCHMSA-N 0 0 327.391 4.068 10 0 EIAERN CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000675055613 564111847 /nfs/dbraw/zinc/11/18/47/564111847.db2.gz VTXLJHKFHRECSZ-RISCZKNCSA-N 0 0 345.270 4.311 10 0 EIAERN CCCOC(=O)c1cc(-n2cccc2)ccc1N1CCCC[C@H]1C ZINC000226277474 564117288 /nfs/dbraw/zinc/11/72/88/564117288.db2.gz NVHPICYXZWINBQ-MRXNPFEDSA-N 0 0 326.440 4.423 10 0 EIAERN C[C@@H](C(=O)N1CCCCC1)n1nc(-c2ccccc2)c2ccccc21 ZINC000013369632 564136319 /nfs/dbraw/zinc/13/63/19/564136319.db2.gz JHUWLMUSRGTLRF-INIZCTEOSA-N 0 0 333.435 4.277 10 0 EIAERN CC[C@H](C)[C@H](NC(=O)C1CCC1)c1nc(-c2cccc(Cl)c2)no1 ZINC000096276029 564146240 /nfs/dbraw/zinc/14/62/40/564146240.db2.gz MHDIMELTTBKUCS-NHYWBVRUSA-N 0 0 347.846 4.394 10 0 EIAERN CCOc1ccc([C@H](CC(N)=O)c2c[nH]c3c2cccc3CC)cc1 ZINC000096278707 564146347 /nfs/dbraw/zinc/14/63/47/564146347.db2.gz QDRGZGZRPXJVAX-SFHVURJKSA-N 0 0 336.435 4.136 10 0 EIAERN CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)CCCOCc1ccccc1 ZINC000685958548 564177079 /nfs/dbraw/zinc/17/70/79/564177079.db2.gz UQDNEJJCRRCOLV-MRXNPFEDSA-N 0 0 349.471 4.198 10 0 EIAERN C[C@H](COCc1ccccc1)CC(=O)CCCNC(=O)OC(C)(C)C ZINC000685961587 564177211 /nfs/dbraw/zinc/17/72/11/564177211.db2.gz LMONNDFANVQLEP-INIZCTEOSA-N 0 0 349.471 4.103 10 0 EIAERN CN(C(=O)OC(C)(C)C)C(C)(C)C(=O)CCCOCc1ccccc1 ZINC000405523259 564177598 /nfs/dbraw/zinc/17/75/98/564177598.db2.gz XMUDYSGTXHOCEH-UHFFFAOYSA-N 0 0 349.471 4.198 10 0 EIAERN CC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)CCCOCc1ccccc1 ZINC000405925033 564177632 /nfs/dbraw/zinc/17/76/32/564177632.db2.gz FUTGYORCJMQVIN-HXUWFJFHSA-N 0 0 349.471 4.246 10 0 EIAERN C[C@@H](c1cccs1)N(C)C(=O)NC[C@H]1CCN(C)c2ccccc21 ZINC000057332806 1032098733 /nfs/dbraw/zinc/09/87/33/1032098733.db2.gz RKDAACYEKCTUGI-LSDHHAIUSA-N 0 0 343.496 4.074 10 0 EIAERN COCc1ccccc1NC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000120977680 1032483849 /nfs/dbraw/zinc/48/38/49/1032483849.db2.gz XHVNTXPQPNQIOZ-UHFFFAOYSA-N 0 0 340.398 4.293 10 0 EIAERN O=C(C[C@H]1OCCc2ccccc21)N1CC=C(c2ccccc2)CC1 ZINC000115003007 1025557053 /nfs/dbraw/zinc/55/70/53/1025557053.db2.gz UGCHTMNBKZCUCI-OAQYLSRUSA-N 0 0 333.431 4.006 10 0 EIAERN O=C(Nc1nc2ccccc2s1)N1CCC[C@H](c2nccs2)C1 ZINC000114777502 1029515801 /nfs/dbraw/zinc/51/58/01/1029515801.db2.gz SLFFTOSWTYATMV-NSHDSACASA-N 0 0 344.465 4.164 10 0 EIAERN CCc1cccc(C)c1NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000114804377 1029613868 /nfs/dbraw/zinc/61/38/68/1029613868.db2.gz LKUORTOEAGWDFQ-HNNXBMFYSA-N 0 0 329.469 4.425 10 0 EIAERN O=C(Nc1cc(Cl)ccc1F)N1CCC[C@H](c2nccs2)C1 ZINC000114806261 1029616813 /nfs/dbraw/zinc/61/68/13/1029616813.db2.gz RQNNAWGGPNHEMC-JTQLQIEISA-N 0 0 339.823 4.347 10 0 EIAERN CSc1ccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000114807020 1029617365 /nfs/dbraw/zinc/61/73/65/1029617365.db2.gz KQMPJUZGMSDCSD-GFCCVEGCSA-N 0 0 333.482 4.277 10 0 EIAERN CCCOc1cccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000114808157 1029619470 /nfs/dbraw/zinc/61/94/70/1029619470.db2.gz ADIFYOGOJLPSAM-CQSZACIVSA-N 0 0 345.468 4.343 10 0 EIAERN C[C@@H](CCc1ccccc1)NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000114818516 1029628876 /nfs/dbraw/zinc/62/88/76/1029628876.db2.gz RCTLHMQDZDSUKO-DOTOQJQBSA-N 0 0 343.496 4.053 10 0 EIAERN Cc1csc(C2CCN(C(=O)c3cccc(C)c3Cl)CC2)n1 ZINC000122157428 1030682070 /nfs/dbraw/zinc/68/20/70/1030682070.db2.gz CFAPYTQKPRIBLE-UHFFFAOYSA-N 0 0 334.872 4.433 10 0 EIAERN Cc1[nH]c2ccc(C(=O)Nc3cccc(-c4ncon4)c3)cc2c1C ZINC000101526112 1030687720 /nfs/dbraw/zinc/68/77/20/1030687720.db2.gz NCYOGXMAGQZEDN-UHFFFAOYSA-N 0 0 332.363 4.087 10 0 EIAERN CC(C)(C)[C@@H](NC(=O)C[C@H]1C(=O)Nc2ccccc21)c1cccs1 ZINC000122394428 1030813145 /nfs/dbraw/zinc/81/31/45/1030813145.db2.gz GQICCJXZZVONFY-DYVFJYSZSA-N 0 0 342.464 4.078 10 0 EIAERN CC(C)c1ncc(Cl)c(C(=O)N2CC=C(c3cccs3)CC2)n1 ZINC000117721989 1031207020 /nfs/dbraw/zinc/20/70/20/1031207020.db2.gz GUEPGECLWTWJGH-UHFFFAOYSA-N 0 0 347.871 4.244 10 0 EIAERN O=C([C@H]1C[C@@H]1c1c(F)cccc1F)N1CC=C(c2cccs2)CC1 ZINC000117723941 1031210695 /nfs/dbraw/zinc/21/06/95/1031210695.db2.gz QXVWRIJOTWZHGQ-KBPBESRZSA-N 0 0 345.414 4.446 10 0 EIAERN O=C(Nc1cccc(-c2ncon2)c1)c1ccc(C(F)(F)F)cc1 ZINC000101526425 1031253997 /nfs/dbraw/zinc/25/39/97/1031253997.db2.gz ZSLPHLCLIINGCC-UHFFFAOYSA-N 0 0 333.269 4.008 10 0 EIAERN O=C(c1cc2c(cccc2F)[nH]1)N1CC=C(c2cccs2)CC1 ZINC000117857184 1031261047 /nfs/dbraw/zinc/26/10/47/1031261047.db2.gz UWHWHJNPPVHKSJ-UHFFFAOYSA-N 0 0 326.396 4.298 10 0 EIAERN O=C(c1cc(Cl)c(Cl)[nH]1)N1CC=C(c2cccs2)CC1 ZINC000117856421 1031261856 /nfs/dbraw/zinc/26/18/56/1031261856.db2.gz ZPRCIMZMIYWHHQ-UHFFFAOYSA-N 0 0 327.236 4.313 10 0 EIAERN CC(C)(CNC(=O)N1CCC[C@@H](c2nccs2)C1)c1cccs1 ZINC000114832369 1031375466 /nfs/dbraw/zinc/37/54/66/1031375466.db2.gz LUXVIUAPMFDQLF-CYBMUJFWSA-N 0 0 349.525 4.071 10 0 EIAERN CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000114828928 1031375813 /nfs/dbraw/zinc/37/58/13/1031375813.db2.gz JWEZLDWKPQCYQB-SJORKVTESA-N 0 0 343.496 4.053 10 0 EIAERN O=C(Cc1c[nH]c2cc(F)ccc12)N1CC=C(c2cccs2)CC1 ZINC000117721255 1031394625 /nfs/dbraw/zinc/39/46/25/1031394625.db2.gz NPOGRCUQYGBFFG-UHFFFAOYSA-N 0 0 340.423 4.227 10 0 EIAERN CCOc1ccc(C(=O)N2CC=C(c3cccs3)CC2)cc1OC ZINC000117719635 1031395710 /nfs/dbraw/zinc/39/57/10/1031395710.db2.gz VNNMTDFSDMJUAN-UHFFFAOYSA-N 0 0 343.448 4.085 10 0 EIAERN COc1ccc(CCC(=O)N2CC=C(c3cccs3)CC2)cc1 ZINC000117723849 1031396600 /nfs/dbraw/zinc/39/66/00/1031396600.db2.gz WIROATWYRDQWIJ-UHFFFAOYSA-N 0 0 327.449 4.005 10 0 EIAERN Cc1c2cccc(Cl)c2oc1C(=O)N1CC[C@H]2OCCC[C@H]2C1 ZINC000121486458 1031439636 /nfs/dbraw/zinc/43/96/36/1031439636.db2.gz HLMSIPPXJFUYOU-SWLSCSKDSA-N 0 0 333.815 4.036 10 0 EIAERN Cc1cc(Cl)c2c(c1)[C@@H](NCc1nccn1C(F)F)CCCO2 ZINC000126614530 1031656778 /nfs/dbraw/zinc/65/67/78/1031656778.db2.gz PATIJRPHJMFPEV-ZDUSSCGKSA-N 0 0 341.789 4.244 10 0 EIAERN COc1cc(C)c(C(=O)N2CC=C(c3cccs3)CC2)cc1OC ZINC000087304676 1038885402 /nfs/dbraw/zinc/88/54/02/1038885402.db2.gz OQOLNGDHFMGOHK-UHFFFAOYSA-N 0 0 343.448 4.003 10 0 EIAERN Cc1cc(O)c(C(C)C)cc1NC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000088464966 1038957029 /nfs/dbraw/zinc/95/70/29/1038957029.db2.gz SJFCMQUPPVTHNY-YJYMSZOUSA-N 0 0 325.408 4.327 10 0 EIAERN Cc1cccc(CN[C@H](c2ncon2)c2ccc(Cl)cc2)c1C ZINC000090202110 1039202995 /nfs/dbraw/zinc/20/29/95/1039202995.db2.gz FZTZPDCBEBWDQK-KRWDZBQOSA-N 0 0 327.815 4.219 10 0 EIAERN CCOc1ccc(CN[C@@H](c2ncon2)c2ccc(Cl)cc2)cc1 ZINC000090202708 1039203343 /nfs/dbraw/zinc/20/33/43/1039203343.db2.gz GAVCDPKOKUJTNT-QGZVFWFLSA-N 0 0 343.814 4.001 10 0 EIAERN c1csc(Cn2cccc2CN2CCO[C@H](c3cccs3)C2)c1 ZINC000092593452 1039569745 /nfs/dbraw/zinc/56/97/45/1039569745.db2.gz GKOMJJJNVGMHIS-KRWDZBQOSA-N 0 0 344.505 4.233 10 0 EIAERN Cc1ccc([C@@H]2CN(Cc3cnc(-c4cccs4)s3)CCO2)o1 ZINC000093864941 1039763624 /nfs/dbraw/zinc/76/36/24/1039763624.db2.gz LMUFGHKLDMJTHV-HNNXBMFYSA-N 0 0 346.477 4.347 10 0 EIAERN O=C(CC1CCCC1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218652 1043286384 /nfs/dbraw/zinc/28/63/84/1043286384.db2.gz UTSREZGMAYITMH-GOSISDBHSA-N 0 0 337.467 4.363 10 0 EIAERN C[C@H](CC(=O)N1CCC[C@@H](c2nccs2)C1)c1ccccc1F ZINC000067046737 1045735453 /nfs/dbraw/zinc/73/54/53/1045735453.db2.gz BEOYOHMRYRYKHI-ZIAGYGMSSA-N 0 0 332.444 4.182 10 0 EIAERN C[C@@H](CC(=O)N1CCC[C@H](c2nccs2)C1)c1ccccc1F ZINC000067046734 1045735771 /nfs/dbraw/zinc/73/57/71/1045735771.db2.gz BEOYOHMRYRYKHI-KBPBESRZSA-N 0 0 332.444 4.182 10 0 EIAERN O=C(c1ccc2c(c1)CCCC2)N1CCC[C@H](c2nccs2)C1 ZINC000067047288 1045737467 /nfs/dbraw/zinc/73/74/67/1045737467.db2.gz HIAWEROVXMZGIE-KRWDZBQOSA-N 0 0 326.465 4.042 10 0 EIAERN CC(C)CO[C@H](C)c1noc(CN2CC=C(c3cccs3)CC2)n1 ZINC000074991122 1045821160 /nfs/dbraw/zinc/82/11/60/1045821160.db2.gz PFZLVPFDIAHFEA-CQSZACIVSA-N 0 0 347.484 4.154 10 0 EIAERN C[C@@H](Oc1cccc(C=O)c1)C(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000076651414 1045902089 /nfs/dbraw/zinc/90/20/89/1045902089.db2.gz PLHVLCOJLVQTGO-CRAIPNDOSA-N 0 0 341.407 4.003 10 0 EIAERN COc1ccccc1-c1noc(CN(C)[C@H](C)c2ccccc2F)n1 ZINC000076720947 1045908226 /nfs/dbraw/zinc/90/82/26/1045908226.db2.gz ZEZXIMKNDCDULT-CYBMUJFWSA-N 0 0 341.386 4.077 10 0 EIAERN COc1ccc([S@](=O)Cc2ncc(-c3ccccc3Cl)o2)cc1 ZINC000080139349 1046454184 /nfs/dbraw/zinc/45/41/84/1046454184.db2.gz BFCCEDSBYIPNPZ-QHCPKHFHSA-N 0 0 347.823 4.311 10 0 EIAERN CNc1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1 ZINC000050746500 214067991 /nfs/dbraw/zinc/06/79/91/214067991.db2.gz RAWDLXSZJCNFMZ-UHFFFAOYSA-N 0 0 339.620 4.397 10 0 EIAERN CCOc1ccc(C)cc1[C@H](O)c1ccc(Br)s1 ZINC000051600209 214098301 /nfs/dbraw/zinc/09/83/01/214098301.db2.gz DFMFYHZZRXSZLD-AWEZNQCLSA-N 0 0 327.243 4.299 10 0 EIAERN O=C(CCc1cc(F)ccc1F)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000052997631 214159461 /nfs/dbraw/zinc/15/94/61/214159461.db2.gz GPSVPOFWMAYNBC-WCQYABFASA-N 0 0 335.316 4.135 10 0 EIAERN CCCN(CCNc1ccc(Br)cc1)CC(F)(F)F ZINC000053390639 214179923 /nfs/dbraw/zinc/17/99/23/214179923.db2.gz BCDTVFSQRYTBKH-UHFFFAOYSA-N 0 0 339.199 4.135 10 0 EIAERN Cc1ccc([C@H](O)Cc2ccc(Br)cc2F)cc1F ZINC000053784473 214197825 /nfs/dbraw/zinc/19/78/25/214197825.db2.gz UTNNSIQPVMTCAK-OAHLLOKOSA-N 0 0 327.168 4.312 10 0 EIAERN O=C([O-])[C@@H](c1ccccc1)[C@@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000053995092 214209728 /nfs/dbraw/zinc/20/97/28/214209728.db2.gz YJLVZOJFKPDFMJ-SFTDATJTSA-N 0 0 331.415 4.386 10 0 EIAERN NC(=S)c1cc(Oc2cc(Cl)c(Cl)cc2Cl)ccn1 ZINC000061813414 214679551 /nfs/dbraw/zinc/67/95/51/214679551.db2.gz WCTCMRRDGTYONL-UHFFFAOYSA-N 0 0 333.627 4.468 10 0 EIAERN Cc1ccc(CC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1 ZINC000098180676 219086341 /nfs/dbraw/zinc/08/63/41/219086341.db2.gz MXKJAKHBIBJWIT-UHFFFAOYSA-N 0 0 339.435 4.445 10 0 EIAERN CCN1c2cc(OC)ccc2N=C(c2ccc(Cl)cc2)CC1=O ZINC000100898355 219111051 /nfs/dbraw/zinc/11/10/51/219111051.db2.gz JSKJASDMBYRWTH-UHFFFAOYSA-N 0 0 328.799 4.226 10 0 EIAERN CCc1ccc(NC(=O)COc2ccc(C)cc2)c(Br)c1 ZINC000065000502 214821930 /nfs/dbraw/zinc/82/19/30/214821930.db2.gz IQQXBLUBBVTAMG-UHFFFAOYSA-N 0 0 348.240 4.337 10 0 EIAERN O=c1c(Cl)c(NCc2ccccc2Cl)cnn1-c1ccccc1 ZINC000003566531 210056756 /nfs/dbraw/zinc/05/67/56/210056756.db2.gz WEBVGYFPUCPACZ-UHFFFAOYSA-N 0 0 346.217 4.151 10 0 EIAERN CN(Cc1csc(Br)c1)c1ccc(Cl)cc1N ZINC000042362132 213497337 /nfs/dbraw/zinc/49/73/37/213497337.db2.gz DHJWJJQSGSTGTL-UHFFFAOYSA-N 0 0 331.666 4.383 10 0 EIAERN Cc1nc(C)c(C(=O)N[C@H](C)c2ccccc2Br)s1 ZINC000042162952 213483102 /nfs/dbraw/zinc/48/31/02/213483102.db2.gz JNVHPHXKSCVBSW-MRVPVSSYSA-N 0 0 339.258 4.013 10 0 EIAERN C[C@H]1CCCC[C@H]1OC(=O)c1cc(Br)cnc1Cl ZINC000104147662 219353791 /nfs/dbraw/zinc/35/37/91/219353791.db2.gz KOTZPCKHLVYKDI-GZMMTYOYSA-N 0 0 332.625 4.233 10 0 EIAERN O=C(COc1ccccc1)Nc1ccnc2cc(C(F)(F)F)ccc21 ZINC000041057383 213411600 /nfs/dbraw/zinc/41/16/00/213411600.db2.gz UESRKSAIZATTJO-UHFFFAOYSA-N 0 0 346.308 4.271 10 0 EIAERN Cc1cccc(N(C(=O)C(C)(C)C)S(=O)(=O)c2ccccc2)c1C ZINC000040966480 213404698 /nfs/dbraw/zinc/40/46/98/213404698.db2.gz MHLMDQLRMXZTFC-UHFFFAOYSA-N 0 0 345.464 4.071 10 0 EIAERN C[NH2+][C@H](Cc1ccccc1OC)c1sccc1Br ZINC000104296552 219371490 /nfs/dbraw/zinc/37/14/90/219371490.db2.gz QYYHJNPPMXHIBU-GFCCVEGCSA-N 0 0 326.259 4.022 10 0 EIAERN CN[C@H](c1sccc1Br)c1c(F)cc(F)cc1F ZINC000104302276 219372870 /nfs/dbraw/zinc/37/28/70/219372870.db2.gz SQROLRCYTWAKAX-NSHDSACASA-N 0 0 336.176 4.237 10 0 EIAERN O=C(Oc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1)c1ccco1 ZINC000040883136 213397711 /nfs/dbraw/zinc/39/77/11/213397711.db2.gz XNTANXBCCYPVIP-UHFFFAOYSA-N 0 0 341.750 4.405 10 0 EIAERN CCCc1ccc(OCC(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000040880536 213397491 /nfs/dbraw/zinc/39/74/91/213397491.db2.gz HWNXPOCHBXFIAF-UHFFFAOYSA-N 0 0 333.815 4.319 10 0 EIAERN Cc1ccccc1NC(=O)COc1c(C)cc(Br)cc1C ZINC000040865966 213394552 /nfs/dbraw/zinc/39/45/52/213394552.db2.gz ZVIWMRZPCXOJCZ-UHFFFAOYSA-N 0 0 348.240 4.392 10 0 EIAERN COc1ccccc1Nc1ncnc(Sc2ccc(C)cc2)c1N ZINC000040781520 213386180 /nfs/dbraw/zinc/38/61/80/213386180.db2.gz AUBVZQKVGZTOOJ-UHFFFAOYSA-N 0 0 338.436 4.271 10 0 EIAERN Nc1c(Nc2ccccc2)ncnc1Nc1cccc2ncccc21 ZINC000040781097 213385651 /nfs/dbraw/zinc/38/56/51/213385651.db2.gz XWGIPTIZKCXFCG-UHFFFAOYSA-N 0 0 328.379 4.094 10 0 EIAERN Cc1ccc(Oc2ncnc(Nc3ccc(F)c(F)c3)c2N)cc1C ZINC000040800375 213387625 /nfs/dbraw/zinc/38/76/25/213387625.db2.gz AFBUFQJSERAOHD-UHFFFAOYSA-N 0 0 342.349 4.490 10 0 EIAERN Cc1ccc(CNc2ncnc(Nc3ccc(F)cc3F)c2N)cc1 ZINC000040783802 213387301 /nfs/dbraw/zinc/38/73/01/213387301.db2.gz LLSFQTAHQIZQCR-UHFFFAOYSA-N 0 0 341.365 4.001 10 0 EIAERN Cc1ccc(Nc2ncnc(Nc3cccc4ncccc43)c2N)cc1 ZINC000040782071 213387381 /nfs/dbraw/zinc/38/73/81/213387381.db2.gz TXDKPOVWJPIXJF-UHFFFAOYSA-N 0 0 342.406 4.403 10 0 EIAERN Cc1ccc2c(cccc2Nc2ncnc(Oc3ccccc3)c2N)n1 ZINC000040796188 213386878 /nfs/dbraw/zinc/38/68/78/213386878.db2.gz OYOMDBMVPHOGLN-UHFFFAOYSA-N 0 0 343.390 4.451 10 0 EIAERN Cc1ccc(Nc2ncnc(Nc3ccc(F)c(F)c3)c2N)cc1 ZINC000040782095 213386540 /nfs/dbraw/zinc/38/65/40/213386540.db2.gz KXZHCDSATSTEMM-UHFFFAOYSA-N 0 0 327.338 4.133 10 0 EIAERN Nc1c(Nc2ccc(F)cc2)ncnc1Nc1ccccc1Cl ZINC000040781282 213386190 /nfs/dbraw/zinc/38/61/90/213386190.db2.gz RKDMPACAPWDWRJ-UHFFFAOYSA-N 0 0 329.766 4.339 10 0 EIAERN COc1ccc(Nc2ncnc(Nc3cccc(C)c3C)c2N)cc1 ZINC000040755101 213383605 /nfs/dbraw/zinc/38/36/05/213383605.db2.gz UYAXTKGMVBCXNQ-UHFFFAOYSA-N 0 0 335.411 4.171 10 0 EIAERN CN(c1ccccc1)c1ncnc(NC23CC4CC(CC(C4)C2)C3)c1N ZINC000040755628 213383667 /nfs/dbraw/zinc/38/36/67/213383667.db2.gz WRSRGZFAMFELGY-UHFFFAOYSA-N 0 0 349.482 4.207 10 0 EIAERN Nc1c(Nc2ccc(F)c(Cl)c2)ncnc1Nc1ccccc1F ZINC000040759274 213382921 /nfs/dbraw/zinc/38/29/21/213382921.db2.gz ZBRMKKYDOJBMAH-UHFFFAOYSA-N 0 0 347.756 4.478 10 0 EIAERN COc1ccc(Oc2ncnc(Nc3ccc(C)cc3C)c2N)cc1 ZINC000040755594 213383040 /nfs/dbraw/zinc/38/30/40/213383040.db2.gz WWSLOXFPNOUOTJ-UHFFFAOYSA-N 0 0 336.395 4.220 10 0 EIAERN CC(C)CN(CC(C)C)c1ncnc(Nc2ccc(F)cc2)c1N ZINC000040735679 213378992 /nfs/dbraw/zinc/37/89/92/213378992.db2.gz KHVVLTMDVZQRQX-UHFFFAOYSA-N 0 0 331.439 4.060 10 0 EIAERN Cc1ccccc1Nc1ncnc(N(CC(C)C)CC(C)C)c1N ZINC000040735648 213378513 /nfs/dbraw/zinc/37/85/13/213378513.db2.gz FAGQFSUGRONIHP-UHFFFAOYSA-N 0 0 327.476 4.229 10 0 EIAERN CC(C)c1ccc(Nc2ncnc(-n3cnc4ccccc43)c2N)cc1 ZINC000040706375 213371497 /nfs/dbraw/zinc/37/14/97/213371497.db2.gz NUTAYXDWYDYMAL-UHFFFAOYSA-N 0 0 344.422 4.265 10 0 EIAERN CCCNc1ncnc(Nc2ccc(Cl)c(C(F)(F)F)c2)c1N ZINC000040707890 213371502 /nfs/dbraw/zinc/37/15/02/213371502.db2.gz KMKSPKNUNVJCPG-UHFFFAOYSA-N 0 0 345.756 4.297 10 0 EIAERN COc1ccc(C)cc1Nc1ncnc(Nc2cc(C)ccc2C)c1N ZINC000040684140 213369875 /nfs/dbraw/zinc/36/98/75/213369875.db2.gz KPJWOIKHIXZNCM-UHFFFAOYSA-N 0 0 349.438 4.480 10 0 EIAERN Cc1ccc(Nc2ncnc(Nc3ccc(F)c(F)c3)c2N)cc1C ZINC000040703029 213371818 /nfs/dbraw/zinc/37/18/18/213371818.db2.gz FNXHFNVAIYMRJH-UHFFFAOYSA-N 0 0 341.365 4.441 10 0 EIAERN COc1ccccc1CON1C(=O)CS[C@H]1c1ccc(Cl)cc1 ZINC000040576021 213354243 /nfs/dbraw/zinc/35/42/43/213354243.db2.gz UGZZUWRLGRKBHV-KRWDZBQOSA-N 0 0 349.839 4.054 10 0 EIAERN COc1ccc(/C=C/C(=O)Nc2cccc(C)c2)cc1Br ZINC000001940230 209807476 /nfs/dbraw/zinc/80/74/76/209807476.db2.gz LFMBNOCTBVBZDH-VQHVLOKHSA-N 0 0 346.224 4.418 10 0 EIAERN COc1ccc(Cc2nc3ccccc3n2Cc2ccco2)cc1OC ZINC000040390282 213297122 /nfs/dbraw/zinc/29/71/22/213297122.db2.gz DQTVZMIXHULFHH-UHFFFAOYSA-N 0 0 348.402 4.286 10 0 EIAERN Cc1ccccc1NC(=O)c1cnc2c(C)c(Cl)ccc2c1O ZINC000040359345 213293521 /nfs/dbraw/zinc/29/35/21/213293521.db2.gz XSTVHCDZBWLWLB-UHFFFAOYSA-N 0 0 326.783 4.051 10 0 EIAERN CCCCn1c(CNC(=O)c2ccc(C)cc2C)nc2ccccc21 ZINC000040276209 213287284 /nfs/dbraw/zinc/28/72/84/213287284.db2.gz IQSCOBYFLCCZBQ-UHFFFAOYSA-N 0 0 335.451 4.383 10 0 EIAERN Cc1ccccc1C(=O)NCc1nc2ccccc2n1CCC(C)C ZINC000040275885 213286852 /nfs/dbraw/zinc/28/68/52/213286852.db2.gz WZPCNCGRSWKMOC-UHFFFAOYSA-N 0 0 335.451 4.321 10 0 EIAERN Cc1cccc(-c2nc3ccccc3n2CC(=O)N2CCC(C)CC2)c1 ZINC000040239708 213284788 /nfs/dbraw/zinc/28/47/88/213284788.db2.gz MNSNUOSKMJNRMJ-UHFFFAOYSA-N 0 0 347.462 4.270 10 0 EIAERN O=C(Cn1c2ccccc2nc1-c1cccs1)N1CCCCCC1 ZINC000040239189 213284235 /nfs/dbraw/zinc/28/42/35/213284235.db2.gz JBDYYMTXXJKZCV-UHFFFAOYSA-N 0 0 339.464 4.167 10 0 EIAERN CC(C)N(C(=O)Cn1c2ccccc2nc1-c1cccs1)C(C)C ZINC000040239178 213283810 /nfs/dbraw/zinc/28/38/10/213283810.db2.gz NGUVBWJTUTYTIY-UHFFFAOYSA-N 0 0 341.480 4.410 10 0 EIAERN COc1ccccc1CON1C(=O)CS[C@@H]1c1ccc(C)c(C)c1 ZINC000038149957 213204063 /nfs/dbraw/zinc/20/40/63/213204063.db2.gz VACLSIDPOVVRAM-LJQANCHMSA-N 0 0 343.448 4.018 10 0 EIAERN C[C@]12C[C@H](CC(C)(C)C1)N(C(=O)c1cnc(Cl)c(Cl)c1)C2 ZINC000037979285 213179506 /nfs/dbraw/zinc/17/95/06/213179506.db2.gz HEUPNKVGTYROEQ-ZBEGNZNMSA-N 0 0 327.255 4.429 10 0 EIAERN COC(=O)[C@@](C)(NC1CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000037971961 213177007 /nfs/dbraw/zinc/17/70/07/213177007.db2.gz KUQAJSDQEBUQHW-INIZCTEOSA-N 0 0 330.255 4.304 10 0 EIAERN COC(=O)c1c[nH]c2c1nc(-c1cccs1)cc2C(F)(F)F ZINC000037593663 213160429 /nfs/dbraw/zinc/16/04/29/213160429.db2.gz XOOJTMRONISBSU-UHFFFAOYSA-N 0 0 326.299 4.097 10 0 EIAERN FC(F)(F)c1cc(Br)ccc1NCc1cccnc1 ZINC000037518651 213153268 /nfs/dbraw/zinc/15/32/68/213153268.db2.gz YJBCTTALGOUMHN-UHFFFAOYSA-N 0 0 331.135 4.475 10 0 EIAERN COC(=O)c1cccc(NCc2cc(Br)cs2)c1C ZINC000037047512 213131846 /nfs/dbraw/zinc/13/18/46/213131846.db2.gz RDHYZFUHTWVRGL-UHFFFAOYSA-N 0 0 340.242 4.218 10 0 EIAERN N[C@@H]1c2cc(Cl)ccc2N(Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000037052095 213131523 /nfs/dbraw/zinc/13/15/23/213131523.db2.gz SRXXPCSBFNPHPQ-CQSZACIVSA-N 0 0 341.625 4.193 10 0 EIAERN CCOC(=O)c1ccc(N[C@H](C)CC(C)C)c(Br)c1 ZINC000036958845 213127423 /nfs/dbraw/zinc/12/74/23/213127423.db2.gz FJVMUEMSQFMNMB-LLVKDONJSA-N 0 0 328.250 4.472 10 0 EIAERN CC(C)n1cc(Br)cc1C(=O)N[C@H](C)c1cccs1 ZINC000036860539 213124859 /nfs/dbraw/zinc/12/48/59/213124859.db2.gz BKEKYTSXBNRJQT-SNVBAGLBSA-N 0 0 341.274 4.384 10 0 EIAERN Nc1ccc(NC(=O)CCC2CCCCC2)c(Br)c1 ZINC000036738503 213114162 /nfs/dbraw/zinc/11/41/62/213114162.db2.gz NARWTWUYDOQLLU-UHFFFAOYSA-N 0 0 325.250 4.330 10 0 EIAERN Cc1c(C(=O)Oc2cccc(C)c2)nnn1-c1ccc(C(C)C)cc1 ZINC000036638988 213106009 /nfs/dbraw/zinc/10/60/09/213106009.db2.gz BUFWXRZPYNXWFN-UHFFFAOYSA-N 0 0 335.407 4.227 10 0 EIAERN CCCN[C@H](c1ccc(Br)o1)c1ccc(F)cc1F ZINC000035581888 213038592 /nfs/dbraw/zinc/03/85/92/213038592.db2.gz CIVLANVXJFVTCF-AWEZNQCLSA-N 0 0 330.172 4.409 10 0 EIAERN CN[C@H](c1ccc(F)cc1F)c1ccc(F)cc1Br ZINC000035492113 213032874 /nfs/dbraw/zinc/03/28/74/213032874.db2.gz XKSLBHHUXUQPDL-AWEZNQCLSA-N 0 0 330.147 4.175 10 0 EIAERN Cc1cc(I)ccc1NCc1ccc(F)cc1 ZINC000035039187 213005730 /nfs/dbraw/zinc/00/57/30/213005730.db2.gz CBKWBZVCDFSZQB-UHFFFAOYSA-N 0 0 341.167 4.351 10 0 EIAERN O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc(I)cc1 ZINC000034976610 213004428 /nfs/dbraw/zinc/00/44/28/213004428.db2.gz QJKVSODRTMEAQH-CYZMBNFOSA-N 0 0 340.204 4.300 10 0 EIAERN Cc1ccc(NC(=S)NC(=O)C=Cc2cccs2)cc1Cl ZINC000033593368 212955931 /nfs/dbraw/zinc/95/59/31/212955931.db2.gz FWDFIRBBJXWDNI-SREVYHEPSA-N 0 0 336.869 4.236 10 0 EIAERN Cc1ccn(-c2ccc(CNC(=O)c3ccc(C(C)C)cc3)cc2)n1 ZINC000033312654 212921434 /nfs/dbraw/zinc/92/14/34/212921434.db2.gz VDEAFOHIWNFGAB-UHFFFAOYSA-N 0 0 333.435 4.234 10 0 EIAERN Cc1cc(=O)n(Cc2ccc(Br)cc2)c2ccccc12 ZINC000032530307 212808340 /nfs/dbraw/zinc/80/83/40/212808340.db2.gz OZRPGKJDDQWYHQ-UHFFFAOYSA-N 0 0 328.209 4.121 10 0 EIAERN COCCOc1ccc(-c2cn3nc(-c4ccccc4)ccc3n2)cc1 ZINC000072173118 216063348 /nfs/dbraw/zinc/06/33/48/216063348.db2.gz ZWECTQXJYLFHGR-UHFFFAOYSA-N 0 0 345.402 4.089 10 0 EIAERN c1ccc(CCNc2nc(Nc3cccnc3)nc3ccccc32)cc1 ZINC000072260994 216086146 /nfs/dbraw/zinc/08/61/46/216086146.db2.gz UFBPKAZFQVJFNJ-UHFFFAOYSA-N 0 0 341.418 4.423 10 0 EIAERN COc1c(Br)cc(Cl)cc1N[C@@H]1C[C@H]2CC=C[C@@H]21 ZINC000037283408 213137536 /nfs/dbraw/zinc/13/75/36/213137536.db2.gz DZLIKNAYBRVTAS-UBHAPETDSA-N 0 0 328.637 4.488 10 0 EIAERN Nc1ccc(COc2ccc(F)cc2Cl)c(Br)c1 ZINC000037902141 213172743 /nfs/dbraw/zinc/17/27/43/213172743.db2.gz ATSLTOMHXWPMTR-UHFFFAOYSA-N 0 0 330.584 4.403 10 0 EIAERN Cc1ccc(Nc2nc3nccc(-c4cccs4)c3c(=O)[nH]2)cc1C ZINC000072441139 216234951 /nfs/dbraw/zinc/23/49/51/216234951.db2.gz RLDLZYLVWVSTOU-UHFFFAOYSA-N 0 0 348.431 4.407 10 0 EIAERN Cc1ccc(Nc2nc3nccc(-c4ccc(F)cc4)c3c(=O)[nH]2)cc1 ZINC000072440669 216235105 /nfs/dbraw/zinc/23/51/05/216235105.db2.gz XFWZQFSFLMMJJO-UHFFFAOYSA-N 0 0 346.365 4.176 10 0 EIAERN CCOC(=O)[C@H](Nc1ccccc1Br)c1ccsc1 ZINC000037960102 213175856 /nfs/dbraw/zinc/17/58/56/213175856.db2.gz CLOOUCRIQUADRO-CYBMUJFWSA-N 0 0 340.242 4.227 10 0 EIAERN CCOC(=O)[C@H](Nc1ccc(Br)cc1)c1ccsc1 ZINC000037960544 213175863 /nfs/dbraw/zinc/17/58/63/213175863.db2.gz UIBPMJVGHITIRB-CYBMUJFWSA-N 0 0 340.242 4.227 10 0 EIAERN COc1ccc(-n2cc(-c3ccnc(-c4ccccc4)n3)c(C)n2)cc1 ZINC000072461946 216243600 /nfs/dbraw/zinc/24/36/00/216243600.db2.gz YEVKUMNXJIUOGG-UHFFFAOYSA-N 0 0 342.402 4.313 10 0 EIAERN Cc1[nH]c2nc(-c3ccccc3)nc(NCc3ccncc3)c2c1C ZINC000026491451 212521897 /nfs/dbraw/zinc/52/18/97/212521897.db2.gz GSAIXPLBVQLLNN-UHFFFAOYSA-N 0 0 329.407 4.249 10 0 EIAERN CCN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000073656850 216407748 /nfs/dbraw/zinc/40/77/48/216407748.db2.gz QUKKOZFOWPKMIX-KBPBESRZSA-N 0 0 342.480 4.031 10 0 EIAERN COc1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)c(N)c1 ZINC000226348047 242099582 /nfs/dbraw/zinc/09/95/82/242099582.db2.gz NERZJVPODTUILN-UHFFFAOYSA-N 0 0 342.782 4.443 10 0 EIAERN CC(C)(C)c1ccc(OCC(=O)Nc2c(N)cccc2Cl)cc1 ZINC000226359063 242101125 /nfs/dbraw/zinc/10/11/25/242101125.db2.gz NCBORUNCEPJAJB-UHFFFAOYSA-N 0 0 332.831 4.237 10 0 EIAERN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N)cc1Cl ZINC000227147942 242121335 /nfs/dbraw/zinc/12/13/35/242121335.db2.gz AKXVLMCNDLZMJN-UHFFFAOYSA-N 0 0 339.222 4.372 10 0 EIAERN Cc1ccc(C(=O)Nc2ccc([C@H](C)O)cc2)cc1Br ZINC000226273176 242092926 /nfs/dbraw/zinc/09/29/26/242092926.db2.gz QQKXTMOZFASNQL-NSHDSACASA-N 0 0 334.213 4.063 10 0 EIAERN O=C1c2ccccc2CN1c1cccc(-c2nc3ncccc3o2)c1 ZINC000226287275 242094046 /nfs/dbraw/zinc/09/40/46/242094046.db2.gz ZMPFEBDXVHRRRG-UHFFFAOYSA-N 0 0 327.343 4.050 10 0 EIAERN Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2)cc1N1CCCCC1 ZINC000226330407 242097755 /nfs/dbraw/zinc/09/77/55/242097755.db2.gz KRRIFQJEMLOHSM-UHFFFAOYSA-N 0 0 343.858 4.473 10 0 EIAERN Cc1cc(N)c(NC(=O)c2ccccc2F)cc1N1CCCC[C@H]1C ZINC000226329937 242098100 /nfs/dbraw/zinc/09/81/00/242098100.db2.gz KTLXXCNJKKJCSX-CQSZACIVSA-N 0 0 341.430 4.347 10 0 EIAERN Cc1cc(N)c(NC(=O)c2ccccc2F)cc1N1CCC[C@@H](C)C1 ZINC000226329945 242098406 /nfs/dbraw/zinc/09/84/06/242098406.db2.gz PQXDAANCHYDLGE-CYBMUJFWSA-N 0 0 341.430 4.205 10 0 EIAERN O=C(c1ccccc1NCc1ccccc1)N1CCc2ccccc2C1 ZINC000255187400 244046774 /nfs/dbraw/zinc/04/67/74/244046774.db2.gz DHLZGNHFVAWNHJ-UHFFFAOYSA-N 0 0 342.442 4.497 10 0 EIAERN Cc1ccc(O)c(C(=O)Nc2c(C)cc(Br)cc2C)c1 ZINC000020045888 212097627 /nfs/dbraw/zinc/09/76/27/212097627.db2.gz GOPGJEOSBYDDEH-UHFFFAOYSA-N 0 0 334.213 4.332 10 0 EIAERN Nc1ccc(NC(=O)c2ccc(Br)cc2F)c(Cl)c1 ZINC000019802792 212070161 /nfs/dbraw/zinc/07/01/61/212070161.db2.gz KRRSZIMMFIUJLC-UHFFFAOYSA-N 0 0 343.583 4.076 10 0 EIAERN Nc1cc(Cl)ccc1OCc1cc(F)ccc1Br ZINC000019805173 212071249 /nfs/dbraw/zinc/07/12/49/212071249.db2.gz DUMNOYGZVWRUEB-UHFFFAOYSA-N 0 0 330.584 4.403 10 0 EIAERN C[C@@H](Nc1ncc(Br)cc1N)c1cccc(Cl)c1 ZINC000049515337 214014642 /nfs/dbraw/zinc/01/46/42/214014642.db2.gz INZKVAVMIBKXBY-MRVPVSSYSA-N 0 0 326.625 4.253 10 0 EIAERN Ic1c[nH]c2cccc(OCc3ccccc3)c12 ZINC000089203774 217775887 /nfs/dbraw/zinc/77/58/87/217775887.db2.gz VHZMOFNFDBENBK-UHFFFAOYSA-N 0 0 349.171 4.352 10 0 EIAERN Cc1cccc(NC(=O)COc2c(C)cc(Br)cc2C)c1 ZINC000012489526 211393183 /nfs/dbraw/zinc/39/31/83/211393183.db2.gz YKNVFUFEGKJUBW-UHFFFAOYSA-N 0 0 348.240 4.392 10 0 EIAERN Cc1ccc(NC(=S)NC(=O)C=Cc2cccs2)cc1Cl ZINC000012403305 211368977 /nfs/dbraw/zinc/36/89/77/211368977.db2.gz FWDFIRBBJXWDNI-VOTSOKGWSA-N 0 0 336.869 4.236 10 0 EIAERN COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2ccoc21 ZINC000090530569 217936707 /nfs/dbraw/zinc/93/67/07/217936707.db2.gz IJOCDYMFIRKGJK-UHFFFAOYSA-N 0 0 337.162 4.396 10 0 EIAERN COC(=O)c1ccc2c(c1)C1(CC1)C[C@@H](c1ccc(F)cc1F)N2 ZINC000091692161 218049201 /nfs/dbraw/zinc/04/92/01/218049201.db2.gz PYFLOQVFSABRFF-KRWDZBQOSA-N 0 0 329.346 4.340 10 0 EIAERN O=C(NC1CCCCC1)N1CCn2cccc2[C@@H]1Cc1ccccc1 ZINC000009528189 211098448 /nfs/dbraw/zinc/09/84/48/211098448.db2.gz NASRQCPOQRDPAQ-FQEVSTJZSA-N 0 0 337.467 4.130 10 0 EIAERN CC(C)(C)OC(=O)N1CCC(COc2nsc3ccccc32)CC1 ZINC000095084130 218275619 /nfs/dbraw/zinc/27/56/19/218275619.db2.gz KRORDNMTFRCQBU-UHFFFAOYSA-N 0 0 348.468 4.322 10 0 EIAERN C[C@@H](c1ccc2c(c1)C(C)(C)CCC2(C)C)S(=O)(=O)NC1CC1 ZINC000095088636 218278506 /nfs/dbraw/zinc/27/85/06/218278506.db2.gz FIYGQFQVIPHTPS-ZDUSSCGKSA-N 0 0 335.513 4.178 10 0 EIAERN CCCCC(=O)NC(=S)Nc1ccc(OCc2ccccc2)cc1 ZINC000007390820 210793499 /nfs/dbraw/zinc/79/34/99/210793499.db2.gz ZOTPYIZPYGEOAM-UHFFFAOYSA-N 0 0 342.464 4.269 10 0 EIAERN c1nc2ccccc2n1CCOC(c1ccccc1)c1ccccc1 ZINC000005850034 210546388 /nfs/dbraw/zinc/54/63/88/210546388.db2.gz APQLNYLMPXTBBU-UHFFFAOYSA-O 0 0 329.423 4.262 10 0 EIAERN COc1ccccc1/C=C\C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000096437829 218818216 /nfs/dbraw/zinc/81/82/16/218818216.db2.gz KDMJJXOESLAOJA-SREVYHEPSA-N 0 0 325.452 4.041 10 0 EIAERN CC(=O)CCSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000005109236 210390935 /nfs/dbraw/zinc/39/09/35/210390935.db2.gz APWLPMWBGGEWDU-UHFFFAOYSA-N 0 0 335.432 4.277 10 0 EIAERN CCOC(=O)Cn1nc(-c2ccc(C)cc2)c2cnc3ccccc3c21 ZINC000004970172 210343482 /nfs/dbraw/zinc/34/34/82/210343482.db2.gz ITAKZPRBOGCGNH-UHFFFAOYSA-N 0 0 345.402 4.123 10 0 EIAERN C[C@@H]1c2ccsc2CCN1c1cc(Br)ccc1CO ZINC000042772736 132412564 /nfs/dbraw/zinc/41/25/64/132412564.db2.gz SFVPBXOBDVHONW-SNVBAGLBSA-N 0 0 338.270 4.127 10 0 EIAERN CCCCN1c2ccccc2C(=O)[C@@](Cl)(c2ccccc2)C1=O ZINC000002144989 135656492 /nfs/dbraw/zinc/65/64/92/135656492.db2.gz NZYAECGZQIFRAS-IBGZPJMESA-N 0 0 327.811 4.150 10 0 EIAERN O=c1c2c3c(c(-c4ccccc4)[nH]c-2nn1-c1ccccc1)CCCC3 ZINC000170622714 226663537 /nfs/dbraw/zinc/66/35/37/226663537.db2.gz MPNSOGOBKZRFSC-UHFFFAOYSA-N 0 0 341.414 4.260 10 0 EIAERN CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C2CCCCC2)cc1 ZINC000169307749 527816681 /nfs/dbraw/zinc/81/66/81/527816681.db2.gz JFAORNBEGILFPJ-UHFFFAOYSA-N 0 0 336.439 4.398 10 0 EIAERN COC(=O)c1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 ZINC000013437732 563374248 /nfs/dbraw/zinc/37/42/48/563374248.db2.gz FDFDDQJLQHAQAN-UHFFFAOYSA-N 0 0 345.414 4.413 10 0 in-vitro EIAERN CCOc1ccc(-c2nn(CN3CCCC[C@@H]3C)c(=S)o2)cc1 ZINC000005713595 563546735 /nfs/dbraw/zinc/54/67/35/563546735.db2.gz LMBRVIKZDOJARI-ZDUSSCGKSA-N 0 0 333.457 4.103 10 0 EIAERN CCOC(=O)c1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000005858343 563552554 /nfs/dbraw/zinc/55/25/54/563552554.db2.gz ICEYQDSJXDMZGH-UHFFFAOYSA-N 0 0 348.398 4.455 10 0 EIAERN CCc1nc(C)cn1-c1ccc(CNC(=O)c2ccc(C)s2)cc1 ZINC000033312655 563973617 /nfs/dbraw/zinc/97/36/17/563973617.db2.gz HSXLZWDFPDTNEL-UHFFFAOYSA-N 0 0 339.464 4.043 10 0 EIAERN COc1ccc(CNc2cn(C(C)C)nc2C)c(Br)c1 ZINC000725242678 563975084 /nfs/dbraw/zinc/97/50/84/563975084.db2.gz ULVOYZYKIPYCKP-UHFFFAOYSA-N 0 0 338.249 4.156 10 0 EIAERN CC(C)(C)OC(=O)N1CC2(CC2)Oc2ccc(Br)cc21 ZINC000725259606 563983865 /nfs/dbraw/zinc/98/38/65/563983865.db2.gz HQTNPKZRLPFWMJ-UHFFFAOYSA-N 0 0 340.217 4.116 10 0 EIAERN CCCC[C@H]1CN(Cc2ccc(COC)o2)Cc2ccccc2O1 ZINC000014978252 564037109 /nfs/dbraw/zinc/03/71/09/564037109.db2.gz HNKGOEUQEUFEHD-KRWDZBQOSA-N 0 0 329.440 4.379 10 0 EIAERN Cc1ccc2c(ncc(-c3nc(C(C)C)no3)c2NCc2ccco2)n1 ZINC000065250649 564103491 /nfs/dbraw/zinc/10/34/91/564103491.db2.gz CBTUEQCSBQKBLG-UHFFFAOYSA-N 0 0 349.394 4.317 10 0 EIAERN Cc1ccccc1-c1c(I)n[nH]c1C1CCC1 ZINC000675076749 564113374 /nfs/dbraw/zinc/11/33/74/564113374.db2.gz QMKOFWIWRHAYPT-UHFFFAOYSA-N 0 0 338.192 4.257 10 0 EIAERN Nc1cc(NC(=O)c2cccc(Cl)c2)ccc1N1CCCCC1 ZINC000226266388 564117251 /nfs/dbraw/zinc/11/72/51/564117251.db2.gz AXSGTRAYGVBLMR-UHFFFAOYSA-N 0 0 329.831 4.165 10 0 EIAERN C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccccc2F)cc1N ZINC000226266056 564117266 /nfs/dbraw/zinc/11/72/66/564117266.db2.gz CQZYIAAIGUNXPK-CYBMUJFWSA-N 0 0 327.403 4.039 10 0 EIAERN CCC[C@H](OC(=O)Cn1c2ccccc2sc1=O)c1ccccc1 ZINC000048523416 564129288 /nfs/dbraw/zinc/12/92/88/564129288.db2.gz BBXJLSSKBRFPBC-INIZCTEOSA-N 0 0 341.432 4.148 10 0 EIAERN COc1ccc([C@H](C)NC(=O)Nc2ccc3[nH]ccc3c2)cc1OC ZINC000069654993 564171200 /nfs/dbraw/zinc/17/12/00/564171200.db2.gz ZBCSCVHMMGWOOH-LBPRGKRZSA-N 0 0 339.395 4.068 10 0 EIAERN CC[C@H](C(=O)CCCOCc1ccccc1)N(C)C(=O)OC(C)(C)C ZINC000685960446 564177130 /nfs/dbraw/zinc/17/71/30/564177130.db2.gz MIWOKTBTTYYPJD-QGZVFWFLSA-N 0 0 349.471 4.198 10 0 EIAERN CC[C@H](NC(=O)OC(C)(C)C)C(=O)C[C@H](C)COCc1ccccc1 ZINC000685961217 564177176 /nfs/dbraw/zinc/17/71/76/564177176.db2.gz DGVGHGFPQISEKN-RDJZCZTQSA-N 0 0 349.471 4.102 10 0 EIAERN CC[C@H](C)C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 ZINC000685961995 564177242 /nfs/dbraw/zinc/17/72/42/564177242.db2.gz QWTAXGQEOINPFL-UXLLHSPISA-N 0 0 349.471 4.100 10 0 EIAERN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)CCCOCc1ccccc1 ZINC000405576866 564177615 /nfs/dbraw/zinc/17/76/15/564177615.db2.gz IBHZELAMWHDWAF-INIZCTEOSA-N 0 0 349.471 4.056 10 0 EIAERN C[C@@H](CNC(=O)OC(C)(C)C)CC(=O)CCCOCc1ccccc1 ZINC000406011974 564177637 /nfs/dbraw/zinc/17/76/37/564177637.db2.gz AMVXSEOSJDPGNE-MRXNPFEDSA-N 0 0 349.471 4.103 10 0 EIAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)Nc3ccccc3F)C2)cc1 ZINC000120801394 1032444437 /nfs/dbraw/zinc/44/44/37/1032444437.db2.gz OIMJUVGHHKTHMO-HIFRSBDPSA-N 0 0 328.387 4.244 10 0 EIAERN Cc1coc(-c2ccc(C)c(NC(=O)N[C@H](C)c3ccncc3)c2)n1 ZINC000120864338 1032452504 /nfs/dbraw/zinc/45/25/04/1032452504.db2.gz QMNHYOVKMPCAOA-CQSZACIVSA-N 0 0 336.395 4.236 10 0 EIAERN Cc1cc(-c2noc([C@H](C)N[C@H](C)c3nccs3)n2)ccc1F ZINC000106240070 1022857420 /nfs/dbraw/zinc/85/74/20/1022857420.db2.gz JYHBGOIXKRSFAE-WDEREUQCSA-N 0 0 332.404 4.052 10 0 EIAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cc2cc(C)ccc2o1 ZINC000109669048 1023172098 /nfs/dbraw/zinc/17/20/98/1023172098.db2.gz CIPGGSWYQLCUNV-INIZCTEOSA-N 0 0 337.423 4.069 10 0 EIAERN CCCc1ccc(NC(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)cc1 ZINC000114567046 1029178151 /nfs/dbraw/zinc/17/81/51/1029178151.db2.gz BHIICBYCQOONNP-GOSISDBHSA-N 0 0 340.471 4.358 10 0 EIAERN CC(C)Oc1ccccc1NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000114809309 1029618982 /nfs/dbraw/zinc/61/89/82/1029618982.db2.gz PVTUBBAFXXYAPR-CQSZACIVSA-N 0 0 345.468 4.342 10 0 EIAERN O=C(Nc1ccc(Cl)c(F)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000114809742 1029620984 /nfs/dbraw/zinc/62/09/84/1029620984.db2.gz KBAHUIMNEZHJGL-SNVBAGLBSA-N 0 0 339.823 4.347 10 0 EIAERN C[C@H](CCc1ccccc1)NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000114818514 1029628719 /nfs/dbraw/zinc/62/87/19/1029628719.db2.gz RCTLHMQDZDSUKO-WBVHZDCISA-N 0 0 343.496 4.053 10 0 EIAERN C[C@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1cccc(Cl)c1 ZINC000114819276 1029630481 /nfs/dbraw/zinc/63/04/81/1029630481.db2.gz XCIHZNBKECCDMC-JSGCOSHPSA-N 0 0 349.887 4.447 10 0 EIAERN CC(C)(C)[C@H](NC(=O)N1CCC[C@@H](c2cc[nH]n2)C1)c1cccs1 ZINC000114935963 1030273935 /nfs/dbraw/zinc/27/39/35/1030273935.db2.gz CRELNJJQBKOSST-CZUORRHYSA-N 0 0 346.500 4.148 10 0 EIAERN O=C([C@H]1C[C@@H]1c1ccc(F)c(F)c1)N1CC=C(c2cccs2)CC1 ZINC000117719186 1031208200 /nfs/dbraw/zinc/20/82/00/1031208200.db2.gz JOVIPMQLJAXUEB-CABCVRRESA-N 0 0 345.414 4.446 10 0 EIAERN CC(C)[C@H](C)NC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113578129 1031361240 /nfs/dbraw/zinc/36/12/40/1031361240.db2.gz IQXQKCYFYJKMFV-RDJZCZTQSA-N 0 0 340.471 4.010 10 0 EIAERN Cc1cccc(OC(F)F)c1NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000117640635 1031392305 /nfs/dbraw/zinc/39/23/05/1031392305.db2.gz YIPUOUJKHKARDS-MEDUHNTESA-N 0 0 333.334 4.100 10 0 EIAERN O=C(c1sccc1OC(F)F)N1CC=C(c2cccs2)CC1 ZINC000117721846 1031394574 /nfs/dbraw/zinc/39/45/74/1031394574.db2.gz CUAJFFPLCBDERL-UHFFFAOYSA-N 0 0 341.404 4.341 10 0 EIAERN O=C(C(C1CC1)C1CC1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000123637177 1031475490 /nfs/dbraw/zinc/47/54/90/1031475490.db2.gz PJGQBKBCYXHYBV-SFHVURJKSA-N 0 0 349.478 4.219 10 0 EIAERN CC[C@H](NC(=O)N1CC=C(c2cccs2)CC1)c1c(C)noc1C ZINC000129578628 1031804814 /nfs/dbraw/zinc/80/48/14/1031804814.db2.gz ZIYXIRSPTMYUEV-HNNXBMFYSA-N 0 0 345.468 4.303 10 0 EIAERN CCc1ccccc1NC(=O)NC1CCN(c2cccs2)CC1 ZINC000129622922 1031807473 /nfs/dbraw/zinc/80/74/73/1031807473.db2.gz MXCGOKTUEUJNKH-UHFFFAOYSA-N 0 0 329.469 4.101 10 0 EIAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2C[C@H](C)[C@@H]2c2ccccc2)n1 ZINC000120032048 1032014153 /nfs/dbraw/zinc/01/41/53/1032014153.db2.gz ZADNZWAEVPFICL-SUMWQHHRSA-N 0 0 347.409 4.310 10 0 EIAERN Cc1coc(-c2cc(NC(=O)C[C@@H](O)c3ccccc3)ccc2C)n1 ZINC000089326109 1039036126 /nfs/dbraw/zinc/03/61/26/1039036126.db2.gz GJOGXIKBKISUBW-GOSISDBHSA-N 0 0 336.391 4.021 10 0 EIAERN CC(C)[C@@H](N[C@@H](C)c1ccc2c(c1)CCC2)c1nc(C2CC2)no1 ZINC000089670070 1039082599 /nfs/dbraw/zinc/08/25/99/1039082599.db2.gz PNLXTLBIDMDAMH-SCLBCKFNSA-N 0 0 325.456 4.484 10 0 EIAERN Cc1cccc([C@H]2CCCN2Cc2c(Cl)n(C)nc2C(C)C)n1 ZINC000093453444 1039693312 /nfs/dbraw/zinc/69/33/12/1039693312.db2.gz YDSAXGNSCGMKBC-MRXNPFEDSA-N 0 0 332.879 4.237 10 0 EIAERN O=C(C=Cc1ccco1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113219788 1043294211 /nfs/dbraw/zinc/29/42/11/1043294211.db2.gz ZYGKVVLXPZOEBV-DVQDXYAYSA-N 0 0 347.418 4.089 10 0 EIAERN O=C(c1ccc2c(c1)CCCC2)N1CCC[C@@H](c2nccs2)C1 ZINC000067047289 1045735841 /nfs/dbraw/zinc/73/58/41/1045735841.db2.gz HIAWEROVXMZGIE-QGZVFWFLSA-N 0 0 326.465 4.042 10 0 EIAERN CCOc1ccc([C@H]2CCCN2C(=O)[C@]2(C)CC2(Cl)Cl)cc1 ZINC000071054048 1045775958 /nfs/dbraw/zinc/77/59/58/1045775958.db2.gz SVTBLXZFFFEPAO-ZBFHGGJFSA-N 0 0 342.266 4.333 10 0 EIAERN COc1cccc(-c2noc(CN[C@@H](C)c3ccc(Cl)cc3)n2)c1 ZINC000072823620 1045799982 /nfs/dbraw/zinc/79/99/82/1045799982.db2.gz VOILVDWNVUOVBQ-LBPRGKRZSA-N 0 0 343.814 4.249 10 0 EIAERN Cc1cccc([C@H]2CCCCCN2C(=O)[C@H]2CCCn3ccnc32)c1 ZINC000081759750 1047160552 /nfs/dbraw/zinc/16/05/52/1047160552.db2.gz AQGIIADGZMUYKK-RBUKOAKNSA-N 0 0 337.467 4.213 10 0 EIAERN CO[C@@H]1CCC[C@H]1n1c(=S)[nH]c2cc(Br)ccc21 ZINC000050375532 214054349 /nfs/dbraw/zinc/05/43/49/214054349.db2.gz ZHIZMWYBERLINR-VXGBXAGGSA-N 0 0 327.247 4.201 10 0 EIAERN CC(C)n1cc(Br)cc1C(=O)N1CC[C@H](C)C[C@@H]1C ZINC000051734363 214102113 /nfs/dbraw/zinc/10/21/13/214102113.db2.gz SCUHEGCQBNDRIG-RYUDHWBXSA-N 0 0 327.266 4.092 10 0 EIAERN CCCCNc1c(-c2ccccc2)nc2ccc(C(=O)OCC)cn21 ZINC000051943960 214109412 /nfs/dbraw/zinc/10/94/12/214109412.db2.gz CXRBTRBGPDFMPP-UHFFFAOYSA-N 0 0 337.423 4.390 10 0 EIAERN Nc1ccccc1CCOc1ccc(Br)cc1Cl ZINC000052918997 214155170 /nfs/dbraw/zinc/15/51/70/214155170.db2.gz DBZBTULUVLXZGN-UHFFFAOYSA-N 0 0 326.621 4.306 10 0 EIAERN COC[C@@H](C)Nc1cc(Cl)cc(Br)c1OC(F)F ZINC000053173438 214167309 /nfs/dbraw/zinc/16/73/09/214167309.db2.gz AHNXAVWDTLFVNO-ZCFIWIBFSA-N 0 0 344.583 4.151 10 0 EIAERN CCOc1ccc(-c2cc(C(=O)N(C)c3ccc(C)cc3)n[nH]2)cc1 ZINC000057412446 214426546 /nfs/dbraw/zinc/42/65/46/214426546.db2.gz IYGIMRXSYMPJTA-UHFFFAOYSA-N 0 0 335.407 4.060 10 0 EIAERN Fc1ccc(CNc2nc(Cl)c3c(n2)CCCC3)c(Cl)c1 ZINC000057343528 214419968 /nfs/dbraw/zinc/41/99/68/214419968.db2.gz HTUZSLLTOCEPND-UHFFFAOYSA-N 0 0 326.202 4.413 10 0 EIAERN O=C(/C=C/c1ccccc1)Nc1cccc(C(=O)Nc2nccs2)c1 ZINC000058867698 214606961 /nfs/dbraw/zinc/60/69/61/214606961.db2.gz XDFIONGNUSRYLB-MDZDMXLPSA-N 0 0 349.415 4.047 10 0 EIAERN Cc1ccc(C(=O)Nc2cc(Br)ccc2Cl)c(O)c1 ZINC000061693029 214672030 /nfs/dbraw/zinc/67/20/30/214672030.db2.gz RWHDXCJLQUNHFU-UHFFFAOYSA-N 0 0 340.604 4.369 10 0 EIAERN O=c1[nH]c2ccccc2nc1Cc1ncc(C(F)(F)F)cc1Cl ZINC000100408297 219098677 /nfs/dbraw/zinc/09/86/77/219098677.db2.gz IPGPYAYGNRZINK-MLPAPPSSSA-N 0 0 339.704 4.159 10 0 EIAERN CO[C@@H](CNC(=O)/C=C\c1ccc(SC)cc1)c1ccc(C)s1 ZINC000101322517 219121408 /nfs/dbraw/zinc/12/14/08/219121408.db2.gz CLYQFQAGBDSTKZ-UBAGTECSSA-N 0 0 347.505 4.296 10 0 EIAERN O=C([O-])c1ccc2[nH+]c3c(c(NCCc4ccccc4)c2c1)CCC3 ZINC000004226642 210146841 /nfs/dbraw/zinc/14/68/41/210146841.db2.gz CVYGDHKXAXSLGH-UHFFFAOYSA-N 0 0 332.403 4.076 10 0 EIAERN C[C@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4Cc5nocc5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000004211958 210145742 /nfs/dbraw/zinc/14/57/42/210145742.db2.gz NSYTUNFHWYMMHU-DGONOLKGSA-N 0 0 329.484 4.383 10 0 EIAERN Cc1ocnc1-c1nc(C2CC2)nn1-c1ccc(C(F)(F)F)cc1 ZINC000065530477 214949063 /nfs/dbraw/zinc/94/90/63/214949063.db2.gz NQTNEBMBSJNPCU-UHFFFAOYSA-N 0 0 334.301 4.127 10 0 EIAERN Cc1snc(-c2ccc(S(C)(=O)=O)cc2)c1-c1ccc(F)cc1 ZINC000003949009 210093560 /nfs/dbraw/zinc/09/35/60/210093560.db2.gz BUXXXBDKCAMPHF-UHFFFAOYSA-N 0 0 347.436 4.328 10 0 EIAERN Cc1cc(Oc2ccc(Cl)c(Cl)c2)ccc1S(C)(=O)=O ZINC000003611734 210066691 /nfs/dbraw/zinc/06/66/91/210066691.db2.gz UIWKYSHXMJTAPK-UHFFFAOYSA-N 0 0 331.220 4.498 10 0 EIAERN Cc1nc(C)c(C(=O)N[C@@H](C)c2ccccc2Br)s1 ZINC000042162950 213483658 /nfs/dbraw/zinc/48/36/58/213483658.db2.gz JNVHPHXKSCVBSW-QMMMGPOBSA-N 0 0 339.258 4.013 10 0 EIAERN CNc1nc(-c2ccc(Br)s2)nc2c1CCCCC2 ZINC000103991923 219336960 /nfs/dbraw/zinc/33/69/60/219336960.db2.gz VIOYTLLAFYEBMP-UHFFFAOYSA-N 0 0 338.274 4.278 10 0 EIAERN Fc1cc(F)cc(OCCNc2ccccc2Br)c1 ZINC000104011267 219338779 /nfs/dbraw/zinc/33/87/79/219338779.db2.gz WRGDXVUEUZFGMK-UHFFFAOYSA-N 0 0 328.156 4.218 10 0 EIAERN COc1nc(Cl)nc(Nc2cc(Cl)c(Cl)cc2Cl)n1 ZINC000104159647 219354994 /nfs/dbraw/zinc/35/49/94/219354994.db2.gz DTRUPEPBFVPZTG-UHFFFAOYSA-N 0 0 339.997 4.237 10 0 EIAERN CC(=O)c1sc2nc(-c3cccc(Br)c3)cn2c1C ZINC000041005662 213407181 /nfs/dbraw/zinc/40/71/81/213407181.db2.gz DLFRJBKRBFEWKE-UHFFFAOYSA-N 0 0 335.226 4.336 10 0 EIAERN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@@H](C)C(C)C)o1 ZINC000068682448 215326679 /nfs/dbraw/zinc/32/66/79/215326679.db2.gz YNYDXOCNWOFQMF-HNNXBMFYSA-N 0 0 337.423 4.215 10 0 EIAERN OCc1c(Sc2cc(Cl)ccc2Cl)nc2sccn21 ZINC000104300770 219371890 /nfs/dbraw/zinc/37/18/90/219371890.db2.gz UBWYGIWHIGQRTG-UHFFFAOYSA-N 0 0 331.249 4.346 10 0 EIAERN c1nc2ncnc(Nc3ccc(-c4nc5ccccc5s4)cc3)c2[nH]1 ZINC000040915250 213399142 /nfs/dbraw/zinc/39/91/42/213399142.db2.gz VANNKDNVAYXPGI-UHFFFAOYSA-N 0 0 344.403 4.373 10 0 EIAERN CCOc1ccc(Br)cc1/C=C/C(=O)Oc1ccccc1 ZINC000040890682 213397140 /nfs/dbraw/zinc/39/71/40/213397140.db2.gz RZORJJVGAJAUGR-DHZHZOJOSA-N 0 0 347.208 4.467 10 0 EIAERN COc1cc(/C=C/c2cc3occc3c(O)c2)cc(OC)c1OC ZINC000040874532 213396267 /nfs/dbraw/zinc/39/62/67/213396267.db2.gz CKGOZQOFJSRSSW-SNAWJCMRSA-N 0 0 326.348 4.335 10 0 EIAERN COc1ccccc1Oc1ncnc(Nc2cccc(Cl)c2)c1N ZINC000040781890 213386061 /nfs/dbraw/zinc/38/60/61/213386061.db2.gz GYDNYHFCLXARCJ-UHFFFAOYSA-N 0 0 342.786 4.257 10 0 EIAERN Cc1ccccc1Nc1ncnc(Nc2ccc(F)c(F)c2)c1N ZINC000040781238 213385865 /nfs/dbraw/zinc/38/58/65/213385865.db2.gz OGKPRGGSOPJILY-UHFFFAOYSA-N 0 0 327.338 4.133 10 0 EIAERN Nc1c(Nc2ccc(F)cc2)ncnc1Nc1ccc(F)c(Cl)c1 ZINC000040782496 213386813 /nfs/dbraw/zinc/38/68/13/213386813.db2.gz SYKSBPDMYDKALK-UHFFFAOYSA-N 0 0 347.756 4.478 10 0 EIAERN Nc1c(NCc2ccc(F)cc2)ncnc1Nc1ccccc1Cl ZINC000040781351 213386248 /nfs/dbraw/zinc/38/62/48/213386248.db2.gz CABALXXRQFIZLI-UHFFFAOYSA-N 0 0 343.793 4.207 10 0 EIAERN Cc1cc(Oc2ncnc(NNc3ccccc3)c2N)ccc1Cl ZINC000040757581 213383807 /nfs/dbraw/zinc/38/38/07/213383807.db2.gz HDGLDCFXXAVWJG-UHFFFAOYSA-N 0 0 341.802 4.252 10 0 EIAERN Cc1ccc(Nc2ncnc(NC34CC5CC(CC(C5)C3)C4)c2N)cc1 ZINC000040755695 213383279 /nfs/dbraw/zinc/38/32/79/213383279.db2.gz MWNLLKBDOPOIRV-UHFFFAOYSA-N 0 0 349.482 4.492 10 0 EIAERN Nc1c(NC23CC4CC(CC(C4)C2)C3)ncnc1Oc1ccccc1 ZINC000040755789 213382954 /nfs/dbraw/zinc/38/29/54/213382954.db2.gz QEMZYSUWKVAKGC-UHFFFAOYSA-N 0 0 336.439 4.232 10 0 EIAERN CC(C)CN(CC(C)C)c1ncnc(NCCC2=CCCCC2)c1N ZINC000040735555 213379231 /nfs/dbraw/zinc/37/92/31/213379231.db2.gz QMTCQCHTMCGLEP-UHFFFAOYSA-N 0 0 345.535 4.480 10 0 EIAERN Nc1c(Nc2ccc(Cl)c(Cl)c2)ncnc1NC1CCCC1 ZINC000040704286 213371347 /nfs/dbraw/zinc/37/13/47/213371347.db2.gz XSIUHPQULHORIX-UHFFFAOYSA-N 0 0 338.242 4.464 10 0 EIAERN COc1ccc(C)cc1Nc1ncnc(Nc2ccccc2F)c1N ZINC000040684282 213369555 /nfs/dbraw/zinc/36/95/55/213369555.db2.gz JUBZGPAUDVXLNZ-UHFFFAOYSA-N 0 0 339.374 4.002 10 0 EIAERN Cc1cccc(Nc2ncnc(N3CCc4ccccc43)c2N)c1C ZINC000040687327 213369466 /nfs/dbraw/zinc/36/94/66/213369466.db2.gz YGFWZNOTXBROFH-UHFFFAOYSA-N 0 0 331.423 4.113 10 0 EIAERN COc1cccc(Nc2ncnc(Nc3cccc(C)c3C)c2N)c1 ZINC000040688005 213369227 /nfs/dbraw/zinc/36/92/27/213369227.db2.gz ZONUHGVCONODNO-UHFFFAOYSA-N 0 0 335.411 4.171 10 0 EIAERN CCc1ccc(Nc2ncnc(Nc3ccc(F)cc3F)c2N)cc1 ZINC000040688570 213369310 /nfs/dbraw/zinc/36/93/10/213369310.db2.gz BKBXHTWGSOVMIK-UHFFFAOYSA-N 0 0 341.365 4.387 10 0 EIAERN Cc1ccc(Nc2ncnc(Nc3ncccc3C)c2N)cc1Cl ZINC000040703656 213371385 /nfs/dbraw/zinc/37/13/85/213371385.db2.gz KMZPCDFELLSCJG-UHFFFAOYSA-N 0 0 340.818 4.211 10 0 EIAERN Cc1cccc(Nc2ncnc(Oc3cccc4ccccc43)c2N)n1 ZINC000040682903 213368094 /nfs/dbraw/zinc/36/80/94/213368094.db2.gz ZMYODVOAAGLMHV-UHFFFAOYSA-N 0 0 343.390 4.451 10 0 EIAERN Cc1cc(NC=C2C(=O)Nc3ccccc32)ccc1Br ZINC000104489619 219389897 /nfs/dbraw/zinc/38/98/97/219389897.db2.gz WXBOJBPDTIKYQB-UKTHLTGXSA-N 0 0 329.197 4.163 10 0 EIAERN COc1cc(/C=C/C(=O)Nc2cccc(C)c2)ccc1OC(C)C ZINC000001945340 209808146 /nfs/dbraw/zinc/80/81/46/209808146.db2.gz RCUUPTZSAAAMPN-PKNBQFBNSA-N 0 0 325.408 4.443 10 0 EIAERN CCOC(=O)c1c(NC(=O)C(C)C)sc(C)c1-c1ccccc1 ZINC000001953234 209808011 /nfs/dbraw/zinc/80/80/11/209808011.db2.gz FQQIQZYIHOQEKE-UHFFFAOYSA-N 0 0 331.437 4.495 10 0 EIAERN OCCCn1c2ccc(Cl)cc2nc1Cc1ccc(Cl)cc1 ZINC000040402352 213299075 /nfs/dbraw/zinc/29/90/75/213299075.db2.gz WDXIQRASXRZGRF-UHFFFAOYSA-N 0 0 335.234 4.316 10 0 EIAERN COc1cccc(C(=O)Nc2ccnc3c(C)c(Cl)ccc23)c1 ZINC000040359227 213293202 /nfs/dbraw/zinc/29/32/02/213293202.db2.gz VWSUYVCOFGYNJV-UHFFFAOYSA-N 0 0 326.783 4.458 10 0 EIAERN Cc1cccc(NC(=O)c2cnc3c(C)c(Cl)ccc3c2O)c1 ZINC000040359365 213293380 /nfs/dbraw/zinc/29/33/80/213293380.db2.gz LEHHPNHGGJNROX-UHFFFAOYSA-N 0 0 326.783 4.051 10 0 EIAERN CCCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccc(F)cc1 ZINC000040338759 213292672 /nfs/dbraw/zinc/29/26/72/213292672.db2.gz GNRXNWYHEMRMOS-IBGZPJMESA-N 0 0 335.382 4.171 10 0 EIAERN CCC(=O)NCc1nc2ccccc2n1Cc1ccc2ccccc2c1 ZINC000040274402 213287057 /nfs/dbraw/zinc/28/70/57/213287057.db2.gz XLRUPADUCVIDNV-UHFFFAOYSA-N 0 0 343.430 4.264 10 0 EIAERN COc1ccc([C@@H](O)c2ccccc2Cl)c(Br)c1 ZINC000040264576 213285122 /nfs/dbraw/zinc/28/51/22/213285122.db2.gz AGNIKXOTAMXGEN-CQSZACIVSA-N 0 0 327.605 4.193 10 0 EIAERN COc1ccc([C@H](O)c2ccccc2Cl)c(Br)c1 ZINC000040264575 213285130 /nfs/dbraw/zinc/28/51/30/213285130.db2.gz AGNIKXOTAMXGEN-AWEZNQCLSA-N 0 0 327.605 4.193 10 0 EIAERN COc1c(Br)cc(Cl)cc1[C@@H](O)c1cccs1 ZINC000040242063 213284806 /nfs/dbraw/zinc/28/48/06/213284806.db2.gz FZWXAVMLRJIEQM-LLVKDONJSA-N 0 0 333.634 4.254 10 0 EIAERN Cc1cc(C)c(Cn2c(CNC(=O)C3CC3)nc3ccccc32)c(C)c1 ZINC000040190725 213280521 /nfs/dbraw/zinc/28/05/21/213280521.db2.gz YNYNGJWMZMJCEK-UHFFFAOYSA-N 0 0 347.462 4.036 10 0 EIAERN CCC(=O)NCCc1nc2ccccc2n1Cc1c(C)cc(C)cc1C ZINC000040197632 213280341 /nfs/dbraw/zinc/28/03/41/213280341.db2.gz GBGZQSHQECAZQN-UHFFFAOYSA-N 0 0 349.478 4.079 10 0 EIAERN Cc1cccc2c(NC(=O)CSc3nc4ccccc4[nH]3)ccnc12 ZINC000040176212 213279911 /nfs/dbraw/zinc/27/99/11/213279911.db2.gz GVGWZYLCGGTKMY-UHFFFAOYSA-N 0 0 348.431 4.150 10 0 EIAERN Cc1ccccc1C(=O)NCCc1nc2ccccc2n1CCC(C)C ZINC000040199439 213280936 /nfs/dbraw/zinc/28/09/36/213280936.db2.gz WZIAMLWFOARRPR-UHFFFAOYSA-N 0 0 349.478 4.363 10 0 EIAERN NC(=S)c1ccccc1OCCOc1ccc(Cl)c(Cl)c1 ZINC000038001450 213186051 /nfs/dbraw/zinc/18/60/51/213186051.db2.gz FALUPXKHQLHHOM-UHFFFAOYSA-N 0 0 342.247 4.085 10 0 EIAERN C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)c1cc(Cl)nc(Cl)c1 ZINC000037980470 213181351 /nfs/dbraw/zinc/18/13/51/213181351.db2.gz DVNSOHSVBKNXJV-ZETCQYMHSA-N 0 0 341.160 4.191 10 0 EIAERN O=Cc1c(Cl)cccc1OCc1ccc(Br)cc1 ZINC000037519277 213153195 /nfs/dbraw/zinc/15/31/95/213153195.db2.gz YYFAGSIKZAYUFN-UHFFFAOYSA-N 0 0 325.589 4.494 10 0 EIAERN O=C(Cc1ccccc1Br)c1nc2ccccc2s1 ZINC000037373573 213141986 /nfs/dbraw/zinc/14/19/86/213141986.db2.gz CKYDEYGPOMMSRI-UHFFFAOYSA-N 0 0 332.222 4.484 10 0 EIAERN COc1ccc(Br)cc1C(=O)c1ccc(F)cc1Cl ZINC000037363069 213141448 /nfs/dbraw/zinc/14/14/48/213141448.db2.gz ZNHPJZJAOUSNRZ-UHFFFAOYSA-N 0 0 343.579 4.481 10 0 EIAERN COc1ccc(C(=O)c2cc(Cl)ccc2F)cc1Br ZINC000036944645 213126195 /nfs/dbraw/zinc/12/61/95/213126195.db2.gz SNVGFWYGKYREMP-UHFFFAOYSA-N 0 0 343.579 4.481 10 0 EIAERN COc1ccc(I)cc1C(=O)C1CCCCC1 ZINC000036944533 213126082 /nfs/dbraw/zinc/12/60/82/213126082.db2.gz ZQHZKQGPXJFRLC-UHFFFAOYSA-N 0 0 344.192 4.063 10 0 EIAERN O=C(Nc1ccc(Br)cc1)c1cc(Cl)cn1C1CC1 ZINC000036857726 213123526 /nfs/dbraw/zinc/12/35/26/213123526.db2.gz RIQZXKSPGWMPPA-UHFFFAOYSA-N 0 0 339.620 4.491 10 0 EIAERN COc1cc(NC(=O)/C(C)=C\c2ccccc2)c(OC)cc1Cl ZINC000000463759 209616601 /nfs/dbraw/zinc/61/66/01/209616601.db2.gz GBECFHTWBALUEL-XFXZXTDPSA-N 0 0 331.799 4.399 10 0 EIAERN CN[C@@H](c1ccc(Br)o1)c1ccc(OC)cc1Cl ZINC000036768282 213117101 /nfs/dbraw/zinc/11/71/01/213117101.db2.gz YGLUPDWTOINDMQ-CYBMUJFWSA-N 0 0 330.609 4.013 10 0 EIAERN CC1CCN(c2nc(-c3ccc4c(c3)OCCCO4)cs2)CC1 ZINC000070036428 215667989 /nfs/dbraw/zinc/66/79/89/215667989.db2.gz JIKOHMVDFIYOAB-UHFFFAOYSA-N 0 0 330.453 4.208 10 0 EIAERN Cc1ccc(NC(=O)c2ccc(Cl)c(N)c2)cc1Br ZINC000070143059 215677595 /nfs/dbraw/zinc/67/75/95/215677595.db2.gz KIZPVXXWMQCQDP-UHFFFAOYSA-N 0 0 339.620 4.245 10 0 EIAERN O=Cc1cn(-c2ccccc2Br)nc1-c1cccs1 ZINC000035778987 213049522 /nfs/dbraw/zinc/04/95/22/213049522.db2.gz FHZZTDDARVEULR-UHFFFAOYSA-N 0 0 333.210 4.176 10 0 EIAERN C[C@H](O)c1ccc(Oc2cccc(I)c2)cc1 ZINC000035632514 213044186 /nfs/dbraw/zinc/04/41/86/213044186.db2.gz IJFKIBWYPDAKCN-JTQLQIEISA-N 0 0 340.160 4.137 10 0 EIAERN Cc1ccc(C)c(OCC(=O)c2ccc(Br)s2)c1 ZINC000035182288 213013227 /nfs/dbraw/zinc/01/32/27/213013227.db2.gz CNOJVSQHZVFNTN-UHFFFAOYSA-N 0 0 325.227 4.389 10 0 EIAERN C[C@]1(Oc2cccc(C=O)c2)C=CC=C[C@]1(C)Oc1cccc(C=O)c1 ZINC000071625148 215790539 /nfs/dbraw/zinc/79/05/39/215790539.db2.gz WZXZUPOEXDIYPT-VXKWHMMOSA-N 0 0 348.398 4.413 10 0 EIAERN O=C(/C=C/c1ccc(F)cc1)N1CCC(n2cnc3ccccc32)CC1 ZINC000034915291 212998423 /nfs/dbraw/zinc/99/84/23/212998423.db2.gz RXKQUCHINBZPDI-JXMROGBWSA-N 0 0 349.409 4.052 10 0 EIAERN Brc1ccccc1Nc1ncccc1Br ZINC000034467745 212978133 /nfs/dbraw/zinc/97/81/33/212978133.db2.gz OBZBNDGUOWEPLD-UHFFFAOYSA-N 0 0 328.007 4.350 10 0 EIAERN CCOC(=O)c1sc(Br)nc1-c1ccc(Cl)cc1 ZINC000032500070 212805562 /nfs/dbraw/zinc/80/55/62/212805562.db2.gz WZCJTQKTWNBMCU-UHFFFAOYSA-N 0 0 346.633 4.403 10 0 EIAERN O=c1c2ccsc2[nH]c(=S)n1-c1ccc(Cl)c(Cl)c1 ZINC000035697725 213047967 /nfs/dbraw/zinc/04/79/67/213047967.db2.gz UBEIIYAWWMAJNE-UHFFFAOYSA-N 0 0 329.233 4.417 10 0 EIAERN Cc1ccc(C)c(NC(=O)CCn2c(=O)cc(C)c3cccc(C)c32)c1 ZINC000032526921 212808694 /nfs/dbraw/zinc/80/86/94/212808694.db2.gz VIMRPNIQXIEUQL-UHFFFAOYSA-N 0 0 348.446 4.264 10 0 EIAERN CCc1c(C)sc(NC(=O)/C=C\c2ccc(F)cc2)c1C(=O)OC ZINC000032313559 212796300 /nfs/dbraw/zinc/79/63/00/212796300.db2.gz OFFPKTLYRLCUQD-YFHOEESVSA-N 0 0 347.411 4.197 10 0 EIAERN Fc1ccccc1-c1nc(Br)sc1Br ZINC000072192953 216068221 /nfs/dbraw/zinc/06/82/21/216068221.db2.gz AEPBAHXJWNEEIZ-UHFFFAOYSA-N 0 0 337.011 4.474 10 0 EIAERN CCOC(=O)c1ccc(N[C@@H](C)CC(C)C)c(Br)c1 ZINC000036958844 213127206 /nfs/dbraw/zinc/12/72/06/213127206.db2.gz FJVMUEMSQFMNMB-NSHDSACASA-N 0 0 328.250 4.472 10 0 EIAERN COc1ncccc1N[C@H](C)c1ccc(F)c(Br)c1 ZINC000037301453 213138997 /nfs/dbraw/zinc/13/89/97/213138997.db2.gz LPWKSMDQJWBEEZ-SECBINFHSA-N 0 0 325.181 4.165 10 0 EIAERN O=C(Nc1ccc(Br)cc1Cl)c1cccc(O)c1 ZINC000037389665 213143846 /nfs/dbraw/zinc/14/38/46/213143846.db2.gz KXILJRDXGGKCBY-UHFFFAOYSA-N 0 0 326.577 4.060 10 0 EIAERN Cc1csc(N2C(=O)CS[C@@H]2c2c(F)cccc2Cl)n1 ZINC000028712608 212632960 /nfs/dbraw/zinc/63/29/60/212632960.db2.gz RZPWYWJBRURJDS-GFCCVEGCSA-N 0 0 328.821 4.023 10 0 EIAERN O=c1[nH]c(N2N=C(c3ccccc3)C[C@@H]2c2cccs2)cs1 ZINC000072413712 216205146 /nfs/dbraw/zinc/20/51/46/216205146.db2.gz SUKDZCMUTWLEHS-CYBMUJFWSA-N 0 0 327.434 4.165 10 0 EIAERN Cc1nn2c(ncc3c2CCCC3)c1-c1ccc(Br)cc1 ZINC000072451871 216239291 /nfs/dbraw/zinc/23/92/91/216239291.db2.gz YJXLDQRZGHLQSI-UHFFFAOYSA-N 0 0 342.240 4.346 10 0 EIAERN CCCCCC[C@@](C)(Nc1ccccc1Br)C(N)=O ZINC000037943971 213174718 /nfs/dbraw/zinc/17/47/18/213174718.db2.gz DMJWMZVPWWNWGB-OAHLLOKOSA-N 0 0 327.266 4.075 10 0 EIAERN O=C(Nc1ccccc1Cl)c1ccc(-c2ccc(F)cc2)[nH]c1=O ZINC000072450915 216239152 /nfs/dbraw/zinc/23/91/52/216239152.db2.gz QNRJMLAMPKHLMW-UHFFFAOYSA-N 0 0 342.757 4.087 10 0 EIAERN Cc1cccc(Nc2nc3nccc(-c4cccs4)c3c(=O)[nH]2)c1 ZINC000072441136 216235199 /nfs/dbraw/zinc/23/51/99/216235199.db2.gz ZNODUBFAHDYIDJ-UHFFFAOYSA-N 0 0 334.404 4.099 10 0 EIAERN CCc1cc(C2=NCCO2)ccc1OCCCCCc1cc(C)no1 ZINC000027302178 212552801 /nfs/dbraw/zinc/55/28/01/212552801.db2.gz SKLOXEUEOSDDIB-UHFFFAOYSA-N 0 0 342.439 4.114 10 0 EIAERN C[C@H](Nc1cccnc1N(C)C)c1ccc(Br)s1 ZINC000038002771 213187256 /nfs/dbraw/zinc/18/72/56/213187256.db2.gz ODWMSASHUCOZDR-VIFPVBQESA-N 0 0 326.263 4.145 10 0 EIAERN CC[C@H](C)NC(=O)CCN[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000038013672 213189651 /nfs/dbraw/zinc/18/96/51/213189651.db2.gz URQYCELVWFTEAG-VHSXEESVSA-N 0 0 335.250 4.088 10 0 EIAERN COc1ccc(C(=O)c2ccc(Cl)s2)cc1Br ZINC000038073979 213199456 /nfs/dbraw/zinc/19/94/56/213199456.db2.gz XLNCHMAWQAXLFY-UHFFFAOYSA-N 0 0 331.618 4.404 10 0 EIAERN Cc1c2ccccc2n(S(=O)(=O)c2ccccc2)c1-c1ccccn1 ZINC000196358573 241034015 /nfs/dbraw/zinc/03/40/15/241034015.db2.gz BNLNOPICYKTVKI-UHFFFAOYSA-N 0 0 348.427 4.249 10 0 EIAERN CC(=O)c1ccc(Oc2ccc(I)cc2)cc1 ZINC000021989513 212268414 /nfs/dbraw/zinc/26/84/14/212268414.db2.gz RQCIEAPUKUMGAY-UHFFFAOYSA-N 0 0 338.144 4.286 10 0 EIAERN Nc1cc(Cl)ccc1NC(=O)c1cc(F)ccc1Br ZINC000021960127 212266155 /nfs/dbraw/zinc/26/61/55/212266155.db2.gz XPWPPEBOXYQYDE-UHFFFAOYSA-N 0 0 343.583 4.076 10 0 EIAERN Cc1ccc(C)c(C(=O)Nc2cnc(Oc3ccccc3F)nc2)c1 ZINC000224283666 241747170 /nfs/dbraw/zinc/74/71/70/241747170.db2.gz CYOCLHQPVVUXIW-UHFFFAOYSA-N 0 0 337.354 4.277 10 0 EIAERN CCCCOc1ccc(C(=O)Nc2ccc(OCC)cc2N)cc1 ZINC000226349579 242099905 /nfs/dbraw/zinc/09/99/05/242099905.db2.gz HNWIQFSXAJPVMM-UHFFFAOYSA-N 0 0 328.412 4.099 10 0 EIAERN Cc1cc2nnn(C(=O)COc3c(C)cc(C)cc3Cl)c2c(C)c1 ZINC000226359894 242101020 /nfs/dbraw/zinc/10/10/20/242101020.db2.gz VNMJIIZMMJPIMD-UHFFFAOYSA-N 0 0 343.814 4.038 10 0 EIAERN Cc1cc(N)ccc1NC(=O)COc1c(C)cc(Cl)cc1Cl ZINC000227145376 242120820 /nfs/dbraw/zinc/12/08/20/242120820.db2.gz VOKPZOJLZZOPMH-UHFFFAOYSA-N 0 0 339.222 4.210 10 0 EIAERN C[C@H]1CCCCN1c1ccc(N)cc1NC(=O)c1ccc(F)cc1 ZINC000226254834 242092423 /nfs/dbraw/zinc/09/24/23/242092423.db2.gz HFXBXKDQILIPNQ-ZDUSSCGKSA-N 0 0 327.403 4.039 10 0 EIAERN O=C1c2ccccc2CN1c1ccc(-c2nc3ncccc3o2)cc1 ZINC000226287265 242094649 /nfs/dbraw/zinc/09/46/49/242094649.db2.gz UBBNMRDCVHMWFX-UHFFFAOYSA-N 0 0 327.343 4.050 10 0 EIAERN CC(C)(C)OC(=O)N(Cc1ccc(Br)cc1)[C@@H]1C[C@H]1F ZINC000230550267 242263165 /nfs/dbraw/zinc/26/31/65/242263165.db2.gz HETJQERBQANULE-CHWSQXEVSA-N 0 0 344.224 4.297 10 0 EIAERN Cc1sc2ncnc(NC[C@@H](C)O)c2c1-c1ccc(Cl)cc1 ZINC000020321552 212118893 /nfs/dbraw/zinc/11/88/93/212118893.db2.gz HFOZUBOQYJSISQ-SECBINFHSA-N 0 0 333.844 4.113 10 0 EIAERN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)c1cc(Br)ccc1F ZINC000019806823 212070921 /nfs/dbraw/zinc/07/09/21/212070921.db2.gz WZMSWIHIBRSWQU-RBZYPMLTSA-N 0 0 328.225 4.143 10 0 EIAERN Cc1nc(N)sc1SCc1ccc(F)cc1Br ZINC000019474802 212031461 /nfs/dbraw/zinc/03/14/61/212031461.db2.gz ZMECQOLTIAYCDE-UHFFFAOYSA-N 0 0 333.251 4.228 10 0 EIAERN Nc1ccc(Cl)cc1NC(=O)c1ccc(Br)cc1F ZINC000019473400 212031162 /nfs/dbraw/zinc/03/11/62/212031162.db2.gz UGELEWYMXCEVPJ-UHFFFAOYSA-N 0 0 343.583 4.076 10 0 EIAERN Nc1cc(Cl)ccc1NC(=O)c1cc(Br)ccc1F ZINC000019422746 212027284 /nfs/dbraw/zinc/02/72/84/212027284.db2.gz ANMMVHKTPLNTPU-UHFFFAOYSA-N 0 0 343.583 4.076 10 0 EIAERN CCOC(=O)c1cn(-c2cccc(Cl)c2)c(-c2ccccc2)n1 ZINC000013642384 211596508 /nfs/dbraw/zinc/59/65/08/211596508.db2.gz IWIAZAJMAHAFDU-UHFFFAOYSA-N 0 0 326.783 4.369 10 0 EIAERN CCCOc1cc(NC(=O)OC(C)(C)C)c(N)cc1C(F)(F)F ZINC000089194826 217774667 /nfs/dbraw/zinc/77/46/67/217774667.db2.gz DNMMRDHYNSPUOV-UHFFFAOYSA-N 0 0 334.338 4.423 10 0 EIAERN CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](NCc2nccs2)C1 ZINC000012297837 211334676 /nfs/dbraw/zinc/33/46/76/211334676.db2.gz QOZDKQSMXFDALK-INIZCTEOSA-N 0 0 338.480 4.132 10 0 EIAERN Fc1cccc(-c2cnnc(NCCCn3ccc4ccccc43)n2)c1 ZINC000012193817 211315008 /nfs/dbraw/zinc/31/50/08/211315008.db2.gz GLWKZIMKHLXPBH-UHFFFAOYSA-N 0 0 347.397 4.135 10 0 EIAERN CCC(=O)Oc1c(C)s/c(=N\c2cc(C)ccc2C)n1C(=O)CC ZINC000011638111 211227913 /nfs/dbraw/zinc/22/79/13/211227913.db2.gz HPUFIHOKNSGSKD-HNENSFHCSA-N 0 0 346.452 4.073 10 0 EIAERN C[C@H](NC(=O)[C@H](C)Sc1nc2ccccc2o1)c1ccccc1 ZINC000010963432 211197286 /nfs/dbraw/zinc/19/72/86/211197286.db2.gz YMGIJHNIMAOFAZ-STQMWFEESA-N 0 0 326.421 4.186 10 0 EIAERN CC(C)(C)OC(=O)N1CCCC[C@H]1CCCOCc1ccncc1 ZINC000095086299 218277312 /nfs/dbraw/zinc/27/73/12/218277312.db2.gz UHIXUSBBUYPUDF-KRWDZBQOSA-N 0 0 334.460 4.168 10 0 EIAERN CC(C)(C)OC(=O)N1CCCC[C@H]1CCCOc1nccs1 ZINC000095086247 218277352 /nfs/dbraw/zinc/27/73/52/218277352.db2.gz CJJFSQILTJJGTK-ZDUSSCGKSA-N 0 0 326.462 4.092 10 0 EIAERN CN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1nc2ccccc2o1 ZINC000095075031 218272905 /nfs/dbraw/zinc/27/29/05/218272905.db2.gz YPSQUPJGJFDYHW-CQSZACIVSA-N 0 0 345.443 4.054 10 0 EIAERN Cc1cc(C)nc(OCCC[C@H]2CCCCN2C(=O)OC(C)(C)C)n1 ZINC000095089866 218279068 /nfs/dbraw/zinc/27/90/68/218279068.db2.gz DBOOEAAWBZGCJP-MRXNPFEDSA-N 0 0 349.475 4.042 10 0 EIAERN C[C@@H](OCC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ccccn1 ZINC000095089452 218279303 /nfs/dbraw/zinc/27/93/03/218279303.db2.gz BURGCCBROIXRGZ-CVEARBPZSA-N 0 0 334.460 4.339 10 0 EIAERN CC(C)(C)Oc1cc(I)ccc1OC1CC1 ZINC000095726211 218446543 /nfs/dbraw/zinc/44/65/43/218446543.db2.gz XJRZUFYWUZPBEC-UHFFFAOYSA-N 0 0 332.181 4.010 10 0 EIAERN O=C(/C=C\c1ccc(F)cc1)NC(=S)Nc1ccccc1Cl ZINC000006227937 210604042 /nfs/dbraw/zinc/60/40/42/210604042.db2.gz WYPBZWTVZZGYDM-YFHOEESVSA-N 0 0 334.803 4.006 10 0 EIAERN Nc1cc(NC(=O)c2ccc(Cl)cc2)ccc1N1CCCCC1 ZINC000226266524 135593093 /nfs/dbraw/zinc/59/30/93/135593093.db2.gz WABLKGMNACZJGJ-UHFFFAOYSA-N 0 0 329.831 4.165 10 0 EIAERN COc1cnc2[nH]cc(-c3oncc3-c3cccc(F)c3F)c2c1 ZINC000165510395 226126422 /nfs/dbraw/zinc/12/64/22/226126422.db2.gz BOKKZNZGLBOPIS-UHFFFAOYSA-N 0 0 327.290 4.172 10 0 EIAERN CN(C(=O)C(F)(F)F)c1ccc2nc(-c3ccccc3F)oc2c1 ZINC000226271021 535957676 /nfs/dbraw/zinc/95/76/76/535957676.db2.gz FPEAKBAQIFFVIL-UHFFFAOYSA-N 0 0 338.260 4.159 10 0 EIAERN S=c1n2n(c(=S)n1-c1ccc(Br)cc1)CCCC2 ZINC000000900657 560179630 /nfs/dbraw/zinc/17/96/30/560179630.db2.gz LXNKRCQRMCZKJB-UHFFFAOYSA-N 0 0 342.287 4.096 10 0 in-vitro EIAERN Cc1cc(C(=O)Nc2ccc(Cl)cc2)n(Cc2ccc(C)cc2)n1 ZINC000000127930 563237354 /nfs/dbraw/zinc/23/73/54/563237354.db2.gz SMYCVOZVZYQMFD-UHFFFAOYSA-N 0 0 339.826 4.454 10 0 EIAERN COc1cccc(CN(C(C)=O)c2cnccc2Oc2ccccc2)c1 ZINC000084904184 563973666 /nfs/dbraw/zinc/97/36/66/563973666.db2.gz FNFYTXRBOQGQBF-UHFFFAOYSA-N 0 0 348.402 4.436 10 0 EIAERN CC[C@@H](C)OC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000005909379 564033042 /nfs/dbraw/zinc/03/30/42/564033042.db2.gz VUHHPCNWKDEWOX-KCXAZCMYSA-N 0 0 335.831 4.203 10 0 EIAERN C[C@@H]1CCC[C@]1(O)c1cc(Br)cc(Br)c1 ZINC000521401883 564073870 /nfs/dbraw/zinc/07/38/70/564073870.db2.gz SEBOYSIJLAZHOC-PRHODGIISA-N 0 0 334.051 4.219 10 0 EIAERN C/C(=C1/SC(=S)N(c2ccccc2)C1=O)c1ccc(N)cc1 ZINC000005521761 564077498 /nfs/dbraw/zinc/07/74/98/564077498.db2.gz IEEDEMUTQITRIA-PTNGSMBKSA-N 0 0 326.446 4.065 10 0 EIAERN CCCC(=O)N1CCC[C@@H](c2ccnc(Nc3ccc(C)cc3)n2)C1 ZINC000065148118 564101598 /nfs/dbraw/zinc/10/15/98/564101598.db2.gz MHPTVIRMFQBCNA-MRXNPFEDSA-N 0 0 338.455 4.035 10 0 EIAERN C[C@H]1CCCN(c2cc(C(=O)NC3CCCC3)c3ccccc3n2)C1 ZINC000022348536 564149201 /nfs/dbraw/zinc/14/92/01/564149201.db2.gz GOPSRQWXUMIIQU-HNNXBMFYSA-N 0 0 337.467 4.144 10 0 EIAERN C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)C(C)(C)C ZINC000685961879 564177220 /nfs/dbraw/zinc/17/72/20/564177220.db2.gz PTAAQXJEJOSQNA-GDBMZVCRSA-N 0 0 349.471 4.100 10 0 EIAERN CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)CCCOCc1ccccc1 ZINC000405609822 564177607 /nfs/dbraw/zinc/17/76/07/564177607.db2.gz PLKYWESSYDSNHK-QGZVFWFLSA-N 0 0 349.471 4.246 10 0 EIAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3cccnc3Cl)C2)cc1 ZINC000120820913 1032446478 /nfs/dbraw/zinc/44/64/78/1032446478.db2.gz MMJDPWQKYZLABL-GXTWGEPZSA-N 0 0 345.830 4.154 10 0 EIAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Nc1cc(C)cc(C)c1 ZINC000114565347 1022172992 /nfs/dbraw/zinc/17/29/92/1022172992.db2.gz RUTZVKHVPWDSBS-QGZVFWFLSA-N 0 0 326.444 4.023 10 0 EIAERN CC1CCC(C)(NC(=O)Nc2cccc(C(=O)N3CCCC3)c2)CC1 ZINC000104993066 1022939891 /nfs/dbraw/zinc/93/98/91/1022939891.db2.gz VFLXDKGRRLXJDY-UHFFFAOYSA-N 0 0 343.471 4.013 10 0 EIAERN Cc1ccc(NC(=O)N2CCc3c(nc(C(C)C)n3C)C2)cc1Cl ZINC000112712461 1023617202 /nfs/dbraw/zinc/61/72/02/1023617202.db2.gz IVCGXZBRTIJCSP-UHFFFAOYSA-N 0 0 346.862 4.096 10 0 EIAERN C[C@H](CC1CC1)NC(=O)N(C)CCCc1cc(-c2ccccc2)no1 ZINC000112722226 1026705571 /nfs/dbraw/zinc/70/55/71/1026705571.db2.gz PCFTXQNHJRGCNJ-OAHLLOKOSA-N 0 0 341.455 4.104 10 0 EIAERN CC(C)n1nc(-c2ccccc2)cc1NC(=O)N1CCC[C@@H](C)C1 ZINC000073996426 1028144403 /nfs/dbraw/zinc/14/44/03/1028144403.db2.gz AXBGICJCNXKUKJ-OAHLLOKOSA-N 0 0 326.444 4.395 10 0 EIAERN CC(C)c1nc2ccc(NC(=O)N3C[C@@H](C)O[C@H](C)C3)cc2s1 ZINC000066979779 1029859525 /nfs/dbraw/zinc/85/95/25/1029859525.db2.gz GERHRBFPQRHFGS-VXGBXAGGSA-N 0 0 333.457 4.061 10 0 EIAERN O=C(CCc1ccc(Cl)s1)Nc1cccc(-c2ncon2)c1 ZINC000101525168 1030687991 /nfs/dbraw/zinc/68/79/91/1030687991.db2.gz CJAQAEHPNPQLAW-UHFFFAOYSA-N 0 0 333.800 4.023 10 0 EIAERN CC[C@@H](NC(=O)N1CC=C(c2ccccc2)CC1)c1nc(C)cs1 ZINC000105307730 1031270448 /nfs/dbraw/zinc/27/04/48/1031270448.db2.gz QMGODANNYYWJPQ-QGZVFWFLSA-N 0 0 341.480 4.402 10 0 EIAERN O=C([C@@H]1CC=CCC1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218305 1031359211 /nfs/dbraw/zinc/35/92/11/1031359211.db2.gz NLROAPGNRJVALA-MSOLQXFVSA-N 0 0 335.451 4.139 10 0 EIAERN O=C([C@H]1C[C@H]1c1ccc(F)cc1F)N1CC=C(c2cccs2)CC1 ZINC000117719135 1031394869 /nfs/dbraw/zinc/39/48/69/1031394869.db2.gz FAVOYRVHHUGMHS-HOTGVXAUSA-N 0 0 345.414 4.446 10 0 EIAERN CCOc1ccc(NC(=O)N2CC=C(c3cccs3)CC2)cc1 ZINC000118007043 1031397716 /nfs/dbraw/zinc/39/77/16/1031397716.db2.gz NBPVLFBWWBYMNI-UHFFFAOYSA-N 0 0 328.437 4.468 10 0 EIAERN CCc1onc(C)c1NC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000127345323 1031689388 /nfs/dbraw/zinc/68/93/88/1031689388.db2.gz OIMVNRFNBYRDPW-UHFFFAOYSA-N 0 0 329.375 4.006 10 0 EIAERN Cc1csc(C2CCN(C(=O)[C@H]3C[C@@H]3c3sccc3C)CC2)n1 ZINC000119312211 1031870625 /nfs/dbraw/zinc/87/06/25/1031870625.db2.gz RAMPLPWMJHFCND-GJZGRUSLSA-N 0 0 346.521 4.331 10 0 EIAERN COc1ccc(F)c(NC(=O)N2CC=C(c3ccccc3)CC2)c1 ZINC000088407846 1038957526 /nfs/dbraw/zinc/95/75/26/1038957526.db2.gz JXIQUNDEZAQFCQ-UHFFFAOYSA-N 0 0 326.371 4.156 10 0 EIAERN Cc1cc(C)cc(CN[C@@H](c2ncon2)c2ccc(Cl)cc2)c1 ZINC000090202053 1039201730 /nfs/dbraw/zinc/20/17/30/1039201730.db2.gz FEPGGCXBKFSKTC-QGZVFWFLSA-N 0 0 327.815 4.219 10 0 EIAERN c1csc(Cn2cccc2CN2CCCC[C@H]2c2ncc[nH]2)c1 ZINC000092728477 1039577136 /nfs/dbraw/zinc/57/71/36/1039577136.db2.gz JNCPWFDLKSLWJR-KRWDZBQOSA-N 0 0 326.469 4.048 10 0 EIAERN CCN(Cc1c(Cl)n(C)nc1-c1ccccc1)Cc1ccccn1 ZINC000093338924 1039666333 /nfs/dbraw/zinc/66/63/33/1039666333.db2.gz HWBHLNHEOWTMJP-UHFFFAOYSA-N 0 0 340.858 4.158 10 0 EIAERN Cc1cn2c(CN3CCC[C@@H]3c3cccc(C)n3)c(C)nc2s1 ZINC000093453546 1039700530 /nfs/dbraw/zinc/70/05/30/1039700530.db2.gz NIPOSNZIYQLQSP-MRXNPFEDSA-N 0 0 326.469 4.053 10 0 EIAERN Cc1cc(C(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)c(C)o1 ZINC000113218650 1043286577 /nfs/dbraw/zinc/28/65/77/1043286577.db2.gz XNWJMXDOIJFHCV-KRWDZBQOSA-N 0 0 349.434 4.306 10 0 EIAERN C[C@H](NC(=O)c1ccc(C=O)cc1)c1ccc(-c2ccncc2)cc1 ZINC000074296820 1045815188 /nfs/dbraw/zinc/81/51/88/1045815188.db2.gz NKEMJALOMHPZTA-HNNXBMFYSA-N 0 0 330.387 4.052 10 0 EIAERN O=C(c1coc(-c2ccccc2)n1)N1CC=C(c2ccccc2)CC1 ZINC000078032631 1045983756 /nfs/dbraw/zinc/98/37/56/1045983756.db2.gz AOJPVTQSOOOCLC-UHFFFAOYSA-N 0 0 330.387 4.271 10 0 EIAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)CCc3cccs3)C2)cc1 ZINC000078188119 1046008922 /nfs/dbraw/zinc/00/89/22/1046008922.db2.gz WXOIABLYUMANIL-HOCLYGCPSA-N 0 0 329.465 4.094 10 0 EIAERN Cc1cccc(Cn2c3ccc(Br)cc3[nH]c2=S)n1 ZINC000051577123 214097427 /nfs/dbraw/zinc/09/74/27/214097427.db2.gz RZGKZSVYSAJQLL-UHFFFAOYSA-N 0 0 334.242 4.213 10 0 EIAERN O=C(CCc1cc(F)ccc1F)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000052997633 214159525 /nfs/dbraw/zinc/15/95/25/214159525.db2.gz GPSVPOFWMAYNBC-DGCLKSJQSA-N 0 0 335.316 4.135 10 0 EIAERN O=C([O-])[C@H](c1ccccc1)[C@@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000053995090 214210171 /nfs/dbraw/zinc/21/01/71/214210171.db2.gz YJLVZOJFKPDFMJ-RTWAWAEBSA-N 0 0 331.415 4.386 10 0 EIAERN CC(C)c1n[nH]c(=S)n1[C@@H](C)c1cccc(Br)c1 ZINC000049569216 214020024 /nfs/dbraw/zinc/02/00/24/214020024.db2.gz YJTGPVMNOALIEY-VIFPVBQESA-N 0 0 326.263 4.436 10 0 EIAERN CC(C)c1n[nH]c(=S)n1[C@H](C)c1ccc(Br)cc1 ZINC000049526395 214013763 /nfs/dbraw/zinc/01/37/63/214013763.db2.gz JWJGMCUMDDKPRE-SECBINFHSA-N 0 0 326.263 4.436 10 0 EIAERN CC(C)(C)OC(=O)NCc1ccccc1OCc1cccc(C=O)c1 ZINC000098095995 219082938 /nfs/dbraw/zinc/08/29/38/219082938.db2.gz NDXPTIHNSSLEAX-UHFFFAOYSA-N 0 0 341.407 4.103 10 0 EIAERN CCCOc1c(OC)cc(C=O)cc1Oc1ccccc1OCC ZINC000004227184 210149237 /nfs/dbraw/zinc/14/92/37/210149237.db2.gz UXIRTICAFJJTJB-UHFFFAOYSA-N 0 0 330.380 4.488 10 0 EIAERN C[C@@H]1[C@@H](C)[C@H](c2ccc3c(c2)OCO3)O[C@H]1c1ccc2c(c1)OCO2 ZINC000004098804 210119713 /nfs/dbraw/zinc/11/97/13/210119713.db2.gz QFUXQRHAJWXPGP-IIBDXVJDSA-N 0 0 340.375 4.229 10 0 biogenic,in-vitro EIAERN Cc1c(Br)sc(N)c1C(=O)c1ccc(Cl)cc1 ZINC000103229440 219272980 /nfs/dbraw/zinc/27/29/80/219272980.db2.gz DPLPUMMUGNDLHG-UHFFFAOYSA-N 0 0 330.634 4.286 10 0 EIAERN C[C@H](O)c1ccc(N(C)Cc2cc(Br)cs2)cc1 ZINC000042399889 213503283 /nfs/dbraw/zinc/50/32/83/213503283.db2.gz LNBAMOMBWIPMJP-JTQLQIEISA-N 0 0 326.259 4.200 10 0 EIAERN CCN(CC)c1nc(Nc2cccc([C@@H](C)O)c2)nc2ccccc21 ZINC000041147768 213425819 /nfs/dbraw/zinc/42/58/19/213425819.db2.gz MGQACFJRYRTFOH-CQSZACIVSA-N 0 0 336.439 4.273 10 0 EIAERN Fc1ccc(F)c(COc2ccc(I)cc2)c1 ZINC000104179465 219355726 /nfs/dbraw/zinc/35/57/26/219355726.db2.gz YNEXOEVBYMJLKJ-UHFFFAOYSA-N 0 0 346.114 4.148 10 0 EIAERN O=C(Nc1ccc(Cl)cc1)c1cnc(Cl)nc1C(F)(F)F ZINC000002243758 209834436 /nfs/dbraw/zinc/83/44/36/209834436.db2.gz XEMGQUKETAKVCN-UHFFFAOYSA-N 0 0 336.100 4.055 10 0 EIAERN CCOc1ccc(C)cc1C(=O)c1sccc1Br ZINC000104296480 219372069 /nfs/dbraw/zinc/37/20/69/219372069.db2.gz IIHULBMUEFTCBP-UHFFFAOYSA-N 0 0 325.227 4.449 10 0 EIAERN Cc1ccc(Br)cc1NC(=O)c1c(N)cccc1Cl ZINC000104328413 219373958 /nfs/dbraw/zinc/37/39/58/219373958.db2.gz ZHNIEFMXIJBBAU-UHFFFAOYSA-N 0 0 339.620 4.245 10 0 EIAERN Nc1c(Nc2ccc(F)cc2F)ncnc1Nc1cc(F)ccc1F ZINC000040800115 213387940 /nfs/dbraw/zinc/38/79/40/213387940.db2.gz KQIFOJHFFANLTD-UHFFFAOYSA-N 0 0 349.291 4.102 10 0 EIAERN Nc1c(Nc2cccc(Cl)c2)ncnc1Nc1cccnc1Cl ZINC000040781887 213385917 /nfs/dbraw/zinc/38/59/17/213385917.db2.gz HQGAYIALWJBTKO-UHFFFAOYSA-N 0 0 347.209 4.248 10 0 EIAERN Nc1c(Nc2ccc(Cl)cn2)ncnc1Sc1ccccc1 ZINC000040779383 213385704 /nfs/dbraw/zinc/38/57/04/213385704.db2.gz KPJCVRSPUSDWHC-UHFFFAOYSA-N 0 0 329.816 4.002 10 0 EIAERN Cc1nc(Nc2ncnc(Nc3ccccc3Cl)c2N)sc1C ZINC000040781288 213385764 /nfs/dbraw/zinc/38/57/64/213385764.db2.gz WHFYYLDWXFNNHX-UHFFFAOYSA-N 0 0 346.847 4.273 10 0 EIAERN CC(C)Oc1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1N ZINC000040795959 213387401 /nfs/dbraw/zinc/38/74/01/213387401.db2.gz QQLMIXNVVPLPJL-UHFFFAOYSA-N 0 0 336.395 4.382 10 0 EIAERN Nc1c(Nc2ccc(F)cc2)ncnc1Nc1cccc2cccnc21 ZINC000040758327 213383757 /nfs/dbraw/zinc/38/37/57/213383757.db2.gz YEEVJLMRRHENBD-UHFFFAOYSA-N 0 0 346.369 4.233 10 0 EIAERN CC(C)CN(CC(C)C)c1ncnc(Nc2ccc(F)c(F)c2)c1N ZINC000040735893 213379476 /nfs/dbraw/zinc/37/94/76/213379476.db2.gz SJCZZDCQXFAHGG-UHFFFAOYSA-N 0 0 349.429 4.199 10 0 EIAERN Cc1ccc(CNc2ncnc(N(CC(C)C)CC(C)C)c2N)cc1 ZINC000040735718 213379599 /nfs/dbraw/zinc/37/95/99/213379599.db2.gz IZIVKPWALROWEG-UHFFFAOYSA-N 0 0 341.503 4.098 10 0 EIAERN Nc1c(Nc2cccnc2)ncnc1Nc1cc(Cl)cc(Cl)c1 ZINC000040700966 213370520 /nfs/dbraw/zinc/37/05/20/213370520.db2.gz HQWJEXLSPQGQQW-UHFFFAOYSA-N 0 0 347.209 4.248 10 0 EIAERN Nc1c(Oc2ccc3ccccc3c2)ncnc1N1CCCCCC1 ZINC000040687744 213369580 /nfs/dbraw/zinc/36/95/80/213369580.db2.gz ZFGKEDOQPNMGAS-UHFFFAOYSA-N 0 0 334.423 4.385 10 0 EIAERN Cc1cccc(Nc2ncnc(Oc3ccc(Cl)c(C)c3)c2N)n1 ZINC000040685728 213369485 /nfs/dbraw/zinc/36/94/85/213369485.db2.gz KALWMSSDIJUSHI-UHFFFAOYSA-N 0 0 341.802 4.260 10 0 EIAERN COc1ccccc1Nc1ncnc(Nc2ccc(C)c(C)c2)c1N ZINC000040702865 213372156 /nfs/dbraw/zinc/37/21/56/213372156.db2.gz GMCRCDOHEICCIL-UHFFFAOYSA-N 0 0 335.411 4.171 10 0 EIAERN Nc1c(Nc2ccccc2C(F)(F)F)ncnc1NC1CCCC1 ZINC000040701872 213371795 /nfs/dbraw/zinc/37/17/95/213371795.db2.gz MDLZCQFJFGUJAF-UHFFFAOYSA-N 0 0 337.349 4.176 10 0 EIAERN Nc1c(Nc2cc(Cl)cc(Cl)c2)ncnc1Nc1ccccn1 ZINC000040700991 213371411 /nfs/dbraw/zinc/37/14/11/213371411.db2.gz JGNSCUXYFDBSML-UHFFFAOYSA-N 0 0 347.209 4.248 10 0 EIAERN COc1ccc(Nc2ncnc(Nc3ccc(C)c(C)c3)c2N)cc1 ZINC000040702883 213371417 /nfs/dbraw/zinc/37/14/17/213371417.db2.gz XBJHBKRQZUGSPA-UHFFFAOYSA-N 0 0 335.411 4.171 10 0 EIAERN CCN(c1ccccc1)c1ncnc(Nc2ccc(F)cc2F)c1N ZINC000040679784 213368433 /nfs/dbraw/zinc/36/84/33/213368433.db2.gz VFEHAOPGJIDSGD-UHFFFAOYSA-N 0 0 341.365 4.239 10 0 EIAERN COc1ccc(/C=C/C(=O)Nc2ccc(C)cc2)cc1Br ZINC000001940232 209808038 /nfs/dbraw/zinc/80/80/38/209808038.db2.gz CNKZRYHHKZAIKZ-UXBLZVDNSA-N 0 0 346.224 4.418 10 0 EIAERN O=Cc1c(OC(=O)c2ccc(Br)o2)ccc2ccccc21 ZINC000001882316 209801542 /nfs/dbraw/zinc/80/15/42/209801542.db2.gz GMVYUPVVJWAWGD-UHFFFAOYSA-N 0 0 345.148 4.227 10 0 EIAERN COCCn1c(COc2ccc(C)cc2)nc2ccc(Cl)cc21 ZINC000040404766 213298985 /nfs/dbraw/zinc/29/89/85/213298985.db2.gz PNGDZHLPCFVYDO-UHFFFAOYSA-N 0 0 330.815 4.224 10 0 EIAERN Cc1ccccc1-c1nc2cc(C(F)(F)F)ccc2n1CCCO ZINC000040402209 213298728 /nfs/dbraw/zinc/29/87/28/213298728.db2.gz FMQFIGCAWQYVOR-UHFFFAOYSA-N 0 0 334.341 4.413 10 0 EIAERN Cc1c(Cl)ccc2c(O)c(C(=O)Nc3ccc(F)cc3F)cnc12 ZINC000040359377 213293912 /nfs/dbraw/zinc/29/39/12/213293912.db2.gz DDYNDRNCQTWPAP-UHFFFAOYSA-N 0 0 348.736 4.020 10 0 EIAERN O=C(NCc1nc(-c2ccccc2)cs1)c1cccc(Cl)c1 ZINC000040323861 213292240 /nfs/dbraw/zinc/29/22/40/213292240.db2.gz VLVIGVQCQMBWQU-UHFFFAOYSA-N 0 0 328.824 4.394 10 0 EIAERN CCCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@H]1c1ccc(F)cc1 ZINC000040338757 213292281 /nfs/dbraw/zinc/29/22/81/213292281.db2.gz GNRXNWYHEMRMOS-LJQANCHMSA-N 0 0 335.382 4.171 10 0 EIAERN Cc1ccc(-c2cc(CNC(=O)c3ccc(Cl)cc3)on2)cc1 ZINC000040323518 213292682 /nfs/dbraw/zinc/29/26/82/213292682.db2.gz HZFDMLBVPKKBKR-UHFFFAOYSA-N 0 0 326.783 4.233 10 0 EIAERN O=C(Cn1c2ccccc2nc1C1CC1)Nc1cccc(Cl)c1 ZINC000040295920 213290268 /nfs/dbraw/zinc/29/02/68/213290268.db2.gz LLDVCKIHPKRBEU-UHFFFAOYSA-N 0 0 325.799 4.206 10 0 EIAERN Cc1ccccc1-c1nc2ccccc2n1CC(=O)NC1CCCCC1 ZINC000040306567 213289704 /nfs/dbraw/zinc/28/97/04/213289704.db2.gz OCDUBPQCDCZTEH-UHFFFAOYSA-N 0 0 347.462 4.461 10 0 EIAERN Cc1ccc(OCCCn2c(CO)nc3cc(C)c(C)cc32)cc1C ZINC000040309017 213290909 /nfs/dbraw/zinc/29/09/09/213290909.db2.gz ZOEPRMCMEWSKRW-UHFFFAOYSA-N 0 0 338.451 4.231 10 0 EIAERN C[C@H](F)c1ncnc(NCc2ccc(F)cc2)c1Br ZINC000038223468 213206812 /nfs/dbraw/zinc/20/68/12/213206812.db2.gz GYZALNWNUMYJAF-QMMMGPOBSA-N 0 0 328.160 4.021 10 0 EIAERN COc1ccc(CON2C(=O)CS[C@@H]2c2ccc(C)c(C)c2)cc1 ZINC000038149947 213204352 /nfs/dbraw/zinc/20/43/52/213204352.db2.gz NROGBECHHOOJMM-LJQANCHMSA-N 0 0 343.448 4.018 10 0 EIAERN CC[C@@H](C)NC(=O)CCN[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000038013671 213190639 /nfs/dbraw/zinc/19/06/39/213190639.db2.gz URQYCELVWFTEAG-NXEZZACHSA-N 0 0 335.250 4.088 10 0 EIAERN CCN(Cc1cccc(F)c1)C(=O)c1nc(Cl)ccc1Cl ZINC000037976547 213180180 /nfs/dbraw/zinc/18/01/80/213180180.db2.gz OABLMVUBGNWJLP-UHFFFAOYSA-N 0 0 327.186 4.190 10 0 EIAERN CCN(Cc1ccc(Br)s1)C(=O)c1ccc(F)cc1 ZINC000037976494 213179633 /nfs/dbraw/zinc/17/96/33/213179633.db2.gz UVESVJYLDQPXJP-UHFFFAOYSA-N 0 0 342.233 4.312 10 0 EIAERN Cc1ncc(CNc2c3nsnc3c(Cl)cc2Cl)s1 ZINC000037797538 213168885 /nfs/dbraw/zinc/16/88/85/213168885.db2.gz NVFZAPVGVHGDGR-UHFFFAOYSA-N 0 0 331.253 4.375 10 0 EIAERN COc1ccc(C(=O)c2cc(Cl)ccc2F)c(Br)c1 ZINC000037444670 213148243 /nfs/dbraw/zinc/14/82/43/213148243.db2.gz QAJMGJPBMYBLDT-UHFFFAOYSA-N 0 0 343.579 4.481 10 0 EIAERN O=C(Nc1c(F)cc(F)cc1Br)c1ccc(Cl)nc1 ZINC000037387302 213142853 /nfs/dbraw/zinc/14/28/53/213142853.db2.gz ZRPXSFCDAXQXFT-UHFFFAOYSA-N 0 0 347.546 4.028 10 0 EIAERN CC(C)(C)CC(=O)c1cc2c(cc1Br)OCCCO2 ZINC000037364599 213141335 /nfs/dbraw/zinc/14/13/35/213141335.db2.gz NUDZTZSUSJSWEV-UHFFFAOYSA-N 0 0 327.218 4.229 10 0 EIAERN COc1ccc(N[C@@H](C)c2ccc(F)c(Br)c2)cn1 ZINC000037185642 213135357 /nfs/dbraw/zinc/13/53/57/213135357.db2.gz DTOWLXRRYZKACC-VIFPVBQESA-N 0 0 325.181 4.165 10 0 EIAERN COC(=O)c1cc(F)ccc1NCc1ccc(Br)s1 ZINC000037119821 213132752 /nfs/dbraw/zinc/13/27/52/213132752.db2.gz MMJAHVVJMZAGIK-UHFFFAOYSA-N 0 0 344.205 4.048 10 0 EIAERN Cc1c(-c2ccc(Cl)cc2)nc2sc(Br)nn12 ZINC000036939216 213126252 /nfs/dbraw/zinc/12/62/52/213126252.db2.gz HVQRGVJSHBGAMF-UHFFFAOYSA-N 0 0 328.622 4.182 10 0 EIAERN CC1(C)Cc2c(nc3sc(Br)nn23)-c2ccccc21 ZINC000036939244 213125474 /nfs/dbraw/zinc/12/54/74/213125474.db2.gz IQHTVRFYCMXNRA-UHFFFAOYSA-N 0 0 334.242 4.054 10 0 EIAERN CC(C)NC(=O)c1cccc(Oc2cc(-c3ccccc3)ncn2)c1 ZINC000035527292 213036110 /nfs/dbraw/zinc/03/61/10/213036110.db2.gz JJZLAJWULCMUBM-UHFFFAOYSA-N 0 0 333.391 4.074 10 0 EIAERN O=Cc1ccc(Oc2ccccc2I)c(F)c1 ZINC000035454605 213029230 /nfs/dbraw/zinc/02/92/30/213029230.db2.gz GOFOTJPKWBCTKC-UHFFFAOYSA-N 0 0 342.107 4.035 10 0 EIAERN CCn1nc(-c2cccc(OC)c2)cc1C(=O)N[C@@H](C)c1ccccc1 ZINC000034903187 212995764 /nfs/dbraw/zinc/99/57/64/212995764.db2.gz KXOWLYUNBGTJRV-HNNXBMFYSA-N 0 0 349.434 4.070 10 0 EIAERN CC(=O)N(C)c1ccc(NC(=O)/C=C\c2cccc3ccccc23)cc1 ZINC000033315821 212923220 /nfs/dbraw/zinc/92/32/20/212923220.db2.gz NVAKLRAOYIZTGS-GDNBJRDFSA-N 0 0 344.414 4.474 10 0 EIAERN Cc1cc(C)c2c(c1)c(C)cc(=O)n2CC(=O)c1ccc(Cl)cc1 ZINC000032530750 212808058 /nfs/dbraw/zinc/80/80/58/212808058.db2.gz QPMOYNMZJJEANI-UHFFFAOYSA-N 0 0 339.822 4.463 10 0 EIAERN O=C(Nc1ccc(Br)cc1Cl)c1ccc(O)cc1 ZINC000036962924 213127880 /nfs/dbraw/zinc/12/78/80/213127880.db2.gz XACQPGVSDPQSLL-UHFFFAOYSA-N 0 0 326.577 4.060 10 0 EIAERN CC(C)c1cccc(C(C)C)c1N1C(=O)C(Cl)=C(Cl)C1=O ZINC000000164362 209460153 /nfs/dbraw/zinc/46/01/53/209460153.db2.gz XXWBDWNQAPHDTN-UHFFFAOYSA-N 0 0 326.223 4.496 10 0 EIAERN O=C1c2ccccc2CC[C@]12O[C@H]2c1ccc(Br)cc1 ZINC000000163830 209459358 /nfs/dbraw/zinc/45/93/58/209459358.db2.gz KCIJKKMJZDOIQE-IRXDYDNUSA-N 0 0 329.193 4.088 10 0 EIAERN Cc1nn2c(nnc(-c3ccc(Cl)cc3)c2N)c1-c1ccccc1 ZINC000072417197 216206300 /nfs/dbraw/zinc/20/63/00/216206300.db2.gz VHBFJLLGHQKUCV-UHFFFAOYSA-N 0 0 335.798 4.002 10 0 EIAERN Cc1ccc(-c2ccnc3nc(Nc4cccc(C)c4)[nH]c(=O)c32)cc1 ZINC000072440335 216233499 /nfs/dbraw/zinc/23/34/99/216233499.db2.gz OKPWJGOFPGDQKJ-UHFFFAOYSA-N 0 0 342.402 4.346 10 0 EIAERN Cc1ccc(-c2ccc(C(=O)Nc3cc(C)ccc3C)c(=O)[nH]2)cc1 ZINC000072451064 216238506 /nfs/dbraw/zinc/23/85/06/216238506.db2.gz HTXKCQQDEFEPHD-UHFFFAOYSA-N 0 0 332.403 4.219 10 0 EIAERN CCOc1ccc(NC(=O)c2ccc(-c3ccc(C)cc3)[nH]c2=O)cc1 ZINC000072451040 216238671 /nfs/dbraw/zinc/23/86/71/216238671.db2.gz CYCWQBKABASWFQ-UHFFFAOYSA-N 0 0 348.402 4.001 10 0 EIAERN Cc1ccc(Nc2nc3nccc(-c4ccsc4)c3c(=O)[nH]2)cc1 ZINC000072441173 216235002 /nfs/dbraw/zinc/23/50/02/216235002.db2.gz ZFJCVCARTPULRF-UHFFFAOYSA-N 0 0 334.404 4.099 10 0 EIAERN COCc1nn2c(ncc3c2CCCCC3)c1-c1cccc(Cl)c1 ZINC000072451774 216239413 /nfs/dbraw/zinc/23/94/13/216239413.db2.gz FUJVJAUPZMNMBW-UHFFFAOYSA-N 0 0 341.842 4.465 10 0 EIAERN Brc1ccc(-c2cnn3c2ncc2c3CCCCC2)cc1 ZINC000072451882 216240165 /nfs/dbraw/zinc/24/01/65/216240165.db2.gz HZURHBURZFDYTC-UHFFFAOYSA-N 0 0 342.240 4.428 10 0 EIAERN C[C@@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccccc1Br ZINC000023526107 212381710 /nfs/dbraw/zinc/38/17/10/212381710.db2.gz KYIDJCPKSXKUHD-QWHCGFSZSA-N 0 0 348.240 4.094 10 0 EIAERN O=S(=O)(Oc1ccc(Cl)cc1)c1cc(Cl)ccc1Cl ZINC000196697097 241035417 /nfs/dbraw/zinc/03/54/17/241035417.db2.gz MJWOGFWWECHPPM-UHFFFAOYSA-N 0 0 337.611 4.415 10 0 EIAERN Clc1ccc([C@H](Cn2ccnc2)Sc2ncc[nH]2)c(Cl)c1 ZINC000211834686 241085710 /nfs/dbraw/zinc/08/57/10/241085710.db2.gz CZZBWLROTDSMQO-ZDUSSCGKSA-N 0 0 339.251 4.447 10 0 EIAERN CCOc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)c(N)c1 ZINC000226346937 242099722 /nfs/dbraw/zinc/09/97/22/242099722.db2.gz XABWIPQZQPRCHM-UHFFFAOYSA-N 0 0 346.430 4.438 10 0 EIAERN Cc1cc(OCC(=O)Nc2c(N)cccc2Cl)cc(C)c1Cl ZINC000226359316 242102373 /nfs/dbraw/zinc/10/23/73/242102373.db2.gz BAWADUFQMHTCCA-UHFFFAOYSA-N 0 0 339.222 4.210 10 0 EIAERN CCCCOc1ccc(C(=O)Nc2c(Cl)cc(N)cc2OC)cc1 ZINC000227147246 242121798 /nfs/dbraw/zinc/12/17/98/242121798.db2.gz ZHFSIPDNAIRFJL-UHFFFAOYSA-N 0 0 348.830 4.362 10 0 EIAERN CCCOc1ccc(C(=O)Nc2ccc(N)cc2Br)cc1 ZINC000227157229 242123806 /nfs/dbraw/zinc/12/38/06/242123806.db2.gz REDCDPXIAJADKF-UHFFFAOYSA-N 0 0 349.228 4.072 10 0 EIAERN CN(C)c1ccc(N)cc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000226260727 242092756 /nfs/dbraw/zinc/09/27/56/242092756.db2.gz NHZAVRAZOVWGKZ-UHFFFAOYSA-N 0 0 331.419 4.254 10 0 EIAERN Cc1ccc(-c2nc3ccc(N(C)C(=O)C(F)(F)F)cc3o2)cc1 ZINC000226269872 242093190 /nfs/dbraw/zinc/09/31/90/242093190.db2.gz HYLMEJZKAWCAOJ-UHFFFAOYSA-N 0 0 334.297 4.328 10 0 EIAERN Cc1ccc(C(=O)Nc2cc(N)ccc2N2CCCCC2)cc1Cl ZINC000226255379 242093194 /nfs/dbraw/zinc/09/31/94/242093194.db2.gz DSKAROUYOBTGQP-UHFFFAOYSA-N 0 0 343.858 4.473 10 0 EIAERN CCN(CC)c1ccc(N)cc1NC(=O)c1cccc(OC(C)C)c1 ZINC000226261601 242093466 /nfs/dbraw/zinc/09/34/66/242093466.db2.gz KCFUUPVKGMSMGD-UHFFFAOYSA-N 0 0 341.455 4.155 10 0 EIAERN Cc1cc(NC(=O)c2ccc(C(C)C)cc2)cc2sc(=NN)[nH]c21 ZINC000226309292 242096491 /nfs/dbraw/zinc/09/64/91/242096491.db2.gz BKGVAOBFIYKFSS-UHFFFAOYSA-N 0 0 340.452 4.266 10 0 EIAERN CC(C)(C)OC(=O)N(Cc1ccc(Br)cc1)[C@@H]1C[C@@H]1F ZINC000230550197 242262759 /nfs/dbraw/zinc/26/27/59/242262759.db2.gz HETJQERBQANULE-QWHCGFSZSA-N 0 0 344.224 4.297 10 0 EIAERN Oc1ccccc1C1=N[C@H](c2ccc(F)cc2)N[C@H](c2cccnc2)C1 ZINC000021365604 212223310 /nfs/dbraw/zinc/22/33/10/212223310.db2.gz VAMQWRKAMNDGGA-GHTZIAJQSA-N 0 0 347.393 4.149 10 0 EIAERN CCOc1ccc(C(=O)Nc2cccc(OC(=O)CC)c2)cc1Cl ZINC000021026625 212200612 /nfs/dbraw/zinc/20/06/12/212200612.db2.gz ZZDQWRBFTBOJHD-UHFFFAOYSA-N 0 0 347.798 4.306 10 0 EIAERN O=C(C[C@H](c1ccco1)n1cccc1)Nc1ccc(F)c(Cl)c1 ZINC000020997402 212196784 /nfs/dbraw/zinc/19/67/84/212196784.db2.gz CQLCKBUPSPZSQU-OAHLLOKOSA-N 0 0 332.762 4.492 10 0 EIAERN CCCOc1ccc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000020925591 212187910 /nfs/dbraw/zinc/18/79/10/212187910.db2.gz UNBOXJLMBYRCNM-UHFFFAOYSA-N 0 0 333.815 4.117 10 0 EIAERN O=C(Cc1nc2ccccc2s1)c1ccc(Br)cc1 ZINC000020427011 212128184 /nfs/dbraw/zinc/12/81/84/212128184.db2.gz RKCLDNKCNYQQKK-UHFFFAOYSA-N 0 0 332.222 4.484 10 0 EIAERN COc1ccc2oc([C@H](N)c3ccc(Br)cc3)cc2c1 ZINC000020389634 212124200 /nfs/dbraw/zinc/12/42/00/212124200.db2.gz WHUOPIZJTYCVGC-MRXNPFEDSA-N 0 0 332.197 4.252 10 0 EIAERN CC(C)COc1ccc(CN(Cc2ccncc2)C(=O)C2CC2)cc1 ZINC000020272515 212115803 /nfs/dbraw/zinc/11/58/03/212115803.db2.gz DBZUQMYKDAMYTC-UHFFFAOYSA-N 0 0 338.451 4.055 10 0 EIAERN COc1cc([C@@H](C)Nc2ccc(Br)cc2F)ccc1O ZINC000019908033 212082133 /nfs/dbraw/zinc/08/21/33/212082133.db2.gz FLMCKQJAMDNTCN-SECBINFHSA-N 0 0 340.192 4.476 10 0 EIAERN Cc1ccc(-c2nc(CN3CCC[C@H]3c3nccs3)c(C)o2)o1 ZINC000019770969 212063343 /nfs/dbraw/zinc/06/33/43/212063343.db2.gz MCCGUPVDSQMNCQ-AWEZNQCLSA-N 0 0 329.425 4.345 10 0 EIAERN COc1ccc(COc2ccc(F)cc2Br)cc1OC ZINC000019480967 212030726 /nfs/dbraw/zinc/03/07/26/212030726.db2.gz MHEYFWFXGUTLEQ-UHFFFAOYSA-N 0 0 341.176 4.184 10 0 EIAERN Cc1ccc([C@@H](C)NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)o1 ZINC000078953689 217157914 /nfs/dbraw/zinc/15/79/14/217157914.db2.gz ZSQAROLADKPZSW-GFCCVEGCSA-N 0 0 341.386 4.021 10 0 EIAERN Cc1c2ccccc2oc1C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000078939269 217152478 /nfs/dbraw/zinc/15/24/78/217152478.db2.gz DIWJYSMVJYMQPG-ZDUSSCGKSA-N 0 0 337.375 4.003 10 0 EIAERN C[C@@H](NC(=O)c1cc(=O)[nH]c2ccccc21)c1cccc(Cl)c1 ZINC000016018286 211876476 /nfs/dbraw/zinc/87/64/76/211876476.db2.gz SEEXFJAIGPZNBJ-LLVKDONJSA-N 0 0 326.783 4.085 10 0 EIAERN O=C(/C=C/c1ccccc1)NCc1cccn1Cc1ccccc1F ZINC000015864008 211863180 /nfs/dbraw/zinc/86/31/80/211863180.db2.gz GGDORJUTBNZMML-OUKQBFOZSA-N 0 0 334.394 4.005 10 0 EIAERN C[C@@H]1CCc2c(sc(N)c2C(=O)NCc2ccccc2Cl)C1 ZINC000015014514 211788507 /nfs/dbraw/zinc/78/85/07/211788507.db2.gz XKJBYXDDICOTFU-SNVBAGLBSA-N 0 0 334.872 4.039 10 0 EIAERN Cc1ccc(NC(=O)COc2c(C)cc(Br)cc2C)cc1 ZINC000012489659 211393487 /nfs/dbraw/zinc/39/34/87/211393487.db2.gz QSIUPGFPERKSOE-UHFFFAOYSA-N 0 0 348.240 4.392 10 0 EIAERN O[C@H](c1ccc2c(c1)CN(Cc1ccoc1)CCO2)C1CCCCC1 ZINC000012281522 211333563 /nfs/dbraw/zinc/33/35/63/211333563.db2.gz PAYWAZJHZCSAJF-NRFANRHFSA-N 0 0 341.451 4.288 10 0 EIAERN CC[C@@H](C)NC(=O)c1csc2nc(-c3ccc(Cl)cc3)cn12 ZINC000012303098 211339326 /nfs/dbraw/zinc/33/93/26/211339326.db2.gz RMOFKTMTNSLQPY-SNVBAGLBSA-N 0 0 333.844 4.245 10 0 EIAERN CCN(Cc1ccccc1)C(=O)c1cc([C@H](C)c2ccccc2)no1 ZINC000012056374 211284560 /nfs/dbraw/zinc/28/45/60/211284560.db2.gz AXZDWPQYVDLUPT-MRXNPFEDSA-N 0 0 334.419 4.489 10 0 EIAERN OCCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000091692256 218048992 /nfs/dbraw/zinc/04/89/92/218048992.db2.gz GBDWTNPRRZVEFD-UHFFFAOYSA-N 0 0 334.415 4.379 10 0 EIAERN CCCSc1ccccc1C(=O)Nc1ccccc1C(=O)OC ZINC000010494595 211177938 /nfs/dbraw/zinc/17/79/38/211177938.db2.gz QCYXLJQWXFFOAR-UHFFFAOYSA-N 0 0 329.421 4.228 10 0 EIAERN Nc1ncnc2nc3c(c(-c4ccc(Cl)cc4Cl)c12)CCCC3 ZINC000009694692 211116877 /nfs/dbraw/zinc/11/68/77/211116877.db2.gz VFINCJVUXJWXOA-UHFFFAOYSA-N 0 0 345.233 4.460 10 0 EIAERN C[C@H]1CCc2c(sc(N)c2C(=O)NCc2ccc(Cl)cc2)C1 ZINC000009246194 211058904 /nfs/dbraw/zinc/05/89/04/211058904.db2.gz SBGPFTVFNQUFJH-JTQLQIEISA-N 0 0 334.872 4.039 10 0 EIAERN CC(C)(C)OC(=O)N1CCC[C@@H](COc2nsc3ccccc32)C1 ZINC000095085451 218276783 /nfs/dbraw/zinc/27/67/83/218276783.db2.gz SYULKCMINHRQRY-CYBMUJFWSA-N 0 0 348.468 4.322 10 0 EIAERN CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1nsc2ccccc21 ZINC000095085773 218277388 /nfs/dbraw/zinc/27/73/88/218277388.db2.gz CEZXCEVMMUBHLF-GFCCVEGCSA-N 0 0 333.457 4.108 10 0 EIAERN CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1nc2ccccc2s1 ZINC000095075323 218272440 /nfs/dbraw/zinc/27/24/40/218272440.db2.gz SEUXZBZOTASWJE-CYBMUJFWSA-N 0 0 347.484 4.132 10 0 EIAERN CC(C)N(Cc1ccccc1I)C(F)(F)F ZINC000095088081 218278612 /nfs/dbraw/zinc/27/86/12/218278612.db2.gz AMILNYLWRSRLGN-UHFFFAOYSA-N 0 0 343.130 4.021 10 0 EIAERN C[C@@H](OCCC[C@H]1CCCCN1C(=O)OC(C)(C)C)c1cnccn1 ZINC000095089518 218279430 /nfs/dbraw/zinc/27/94/30/218279430.db2.gz VZHRNGFYUGGDJG-HZPDHXFCSA-N 0 0 349.475 4.124 10 0 EIAERN C[C@@H](OCCC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1cnccn1 ZINC000095089516 218279615 /nfs/dbraw/zinc/27/96/15/218279615.db2.gz VZHRNGFYUGGDJG-CVEARBPZSA-N 0 0 349.475 4.124 10 0 EIAERN CN(C)C(=O)c1ccc(CSc2nc3cc(Cl)ccc3o2)cc1 ZINC000097316644 219011927 /nfs/dbraw/zinc/01/19/27/219011927.db2.gz USCWHTRKDKSBQJ-UHFFFAOYSA-N 0 0 346.839 4.475 10 0 EIAERN Cc1cccc(-c2cc(=O)[nH]c(NCc3ccc(F)c(Cl)c3)n2)c1 ZINC000057342009 524105215 /nfs/dbraw/zinc/10/52/15/524105215.db2.gz DDFWKWRNPMEVSH-UHFFFAOYSA-N 0 0 343.789 4.150 10 0 EIAERN CCCCCCn1nc(-c2ccc(F)cc2)c2c1CCN(C(C)=O)C2 ZINC000167796758 528154980 /nfs/dbraw/zinc/15/49/80/528154980.db2.gz BNALGUMLWLRZIC-UHFFFAOYSA-N 0 0 343.446 4.174 10 0 EIAERN CCOC(=O)c1cc2ncccc2n1Cc1ccc(F)c(Cl)c1 ZINC000165002527 528196582 /nfs/dbraw/zinc/19/65/82/528196582.db2.gz JUJGBTOUXSBPMB-UHFFFAOYSA-N 0 0 332.762 4.054 10 0 EIAERN CCN(c1ccccc1)S(=O)(=O)c1ccc2c3c(cccc31)CC2 ZINC000226862189 535418939 /nfs/dbraw/zinc/41/89/39/535418939.db2.gz NAZICFUICSJOFB-UHFFFAOYSA-N 0 0 337.444 4.154 10 0 EIAERN CN1C(c2cccnc2)N(C)[C@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000253612995 536328222 /nfs/dbraw/zinc/32/82/22/536328222.db2.gz ISMDCWVUPABFCQ-NHCUHLMSSA-N 0 0 329.447 4.440 10 0 EIAERN COc1cc(C(N)=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000226325362 536550836 /nfs/dbraw/zinc/55/08/36/536550836.db2.gz YQQNCVCKMZCBMX-UHFFFAOYSA-N 0 0 341.794 4.180 10 0 EIAERN CCC[C@]1(O)C[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@]2(C)[C@H]1O ZINC000004721606 560199814 /nfs/dbraw/zinc/19/98/14/560199814.db2.gz CVNVHOYBHQEWMN-BTOHRNCKSA-N 0 0 344.495 4.053 10 0 in-vitro EIAERN Cc1cc(C(=O)Oc2cccc(C(F)(F)F)c2)n(C(C)(C)C)n1 ZINC000003149351 563474765 /nfs/dbraw/zinc/47/47/65/563474765.db2.gz UAPKFTVLXIWEHY-UHFFFAOYSA-N 0 0 326.318 4.185 10 0 EIAERN c1ccc(COc2cccc(CNCc3nc4ccccc4[nH]3)c2)cc1 ZINC000113398247 564019283 /nfs/dbraw/zinc/01/92/83/564019283.db2.gz WGCDXTFJBRKUTM-UHFFFAOYSA-N 0 0 343.430 4.432 10 0 EIAERN CCCCCC[C@H](CC(=O)OC)OC(=O)C[C@@H](O)CCCCCC ZINC000604381424 564034624 /nfs/dbraw/zinc/03/46/24/564034624.db2.gz RTRZNFRQFSTUCO-DLBZAZTESA-N 0 0 344.492 4.153 10 0 EIAERN Cc1ccc(-c2nnc(NC[C@H](O)c3ccc(Cl)cc3)s2)cc1 ZINC000000396057 564082620 /nfs/dbraw/zinc/08/26/20/564082620.db2.gz CPIRJGSAZWHTFG-HNNXBMFYSA-N 0 0 345.855 4.312 10 0 EIAERN O=C(c1ccc2c(Cl)c3c(nc2c1)CCC3)N1CCCCCC1 ZINC000006738586 564084835 /nfs/dbraw/zinc/08/48/35/564084835.db2.gz HCIPBLKBIMHIIJ-UHFFFAOYSA-N 0 0 328.843 4.393 10 0 EIAERN Cc1cccc(NC(=O)Nc2cnc(Oc3ccccc3F)nc2)c1 ZINC000224290231 564088994 /nfs/dbraw/zinc/08/89/94/564088994.db2.gz QCSWCIYRSGVNRT-UHFFFAOYSA-N 0 0 338.342 4.360 10 0 EIAERN Cc1c(C)c(C(=O)NCc2ccco2)n(Cc2ccccc2F)c1C ZINC000006800923 564098240 /nfs/dbraw/zinc/09/82/40/564098240.db2.gz UWTLMLNMSVUHMX-UHFFFAOYSA-N 0 0 340.398 4.124 10 0 EIAERN Cc1ncn(-c2ccc(CNC(=O)c3ccccc3Cl)cc2)c1C ZINC000065201832 564102671 /nfs/dbraw/zinc/10/26/71/564102671.db2.gz OSUPAEGFWJNVGL-UHFFFAOYSA-N 0 0 339.826 4.073 10 0 EIAERN c1coc(-c2nnc(COc3ccc(Oc4nccs4)cc3)o2)c1 ZINC000089799881 564113915 /nfs/dbraw/zinc/11/39/15/564113915.db2.gz GHXLLWAOJGVZCL-UHFFFAOYSA-N 0 0 341.348 4.157 10 0 EIAERN Brc1cncc(-c2nc3cc(-n4cccc4)ccc3o2)c1 ZINC000226246849 564117206 /nfs/dbraw/zinc/11/72/06/564117206.db2.gz LPQZLZHOBGMOHK-UHFFFAOYSA-N 0 0 340.180 4.443 10 0 EIAERN CCc1noc2ncc(C(=O)O[C@@H]3CC[C@H]4CCCC[C@H]4C3)cc12 ZINC000252516001 564120242 /nfs/dbraw/zinc/12/02/42/564120242.db2.gz PEZMBXRRRCDHTD-VNHYZAJKSA-N 0 0 328.412 4.301 10 0 EIAERN COc1ccc(OCCOC(=O)Nc2cccc(SC)c2)cc1 ZINC000048522796 564129242 /nfs/dbraw/zinc/12/92/42/564129242.db2.gz ZWAWIKBKXQKUHI-UHFFFAOYSA-N 0 0 333.409 4.045 10 0 EIAERN COc1ccc(OC)c(/C=C/C(=O)Nc2c(C)cccc2Cl)c1 ZINC000048545429 564129359 /nfs/dbraw/zinc/12/93/59/564129359.db2.gz HHXLHRRAYDJSDR-JXMROGBWSA-N 0 0 331.799 4.318 10 0 EIAERN CC(/C=N/NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)=C/c1ccccc1 ZINC000048573509 564129463 /nfs/dbraw/zinc/12/94/63/564129463.db2.gz KFOARQRGDGJOPN-FNWURDPYSA-N 0 0 342.826 4.313 10 0 EIAERN Cc1cccc(N2C(=O)S/C(=C/c3nc4ccccc4[nH]3)C2=O)c1 ZINC000027533821 564131050 /nfs/dbraw/zinc/13/10/50/564131050.db2.gz KQJIQEBJQLBZHH-XNTDXEJSSA-N 0 0 335.388 4.112 10 0 EIAERN C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@]21CC[C@H](O)O1 ZINC000077293651 564134181 /nfs/dbraw/zinc/13/41/81/564134181.db2.gz ZVNZJDMKEHMICK-LNFFIUOTSA-N 0 0 346.511 4.178 10 0 in-vitro EIAERN CC(C)[C@H](NC(=O)/C=C/c1ccccc1)c1nc(-c2ccccc2)no1 ZINC000096096012 564145147 /nfs/dbraw/zinc/14/51/47/564145147.db2.gz PQCHUYBMHSVPDM-KQDNUWKFSA-N 0 0 347.418 4.263 10 0 EIAERN C[C@@H]1CCCN(c2cc(C(=O)NC3CCCC3)c3ccccc3n2)C1 ZINC000022348533 564149204 /nfs/dbraw/zinc/14/92/04/564149204.db2.gz GOPSRQWXUMIIQU-OAHLLOKOSA-N 0 0 337.467 4.144 10 0 EIAERN C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)C(C)(C)C ZINC000685961883 564177178 /nfs/dbraw/zinc/17/71/78/564177178.db2.gz PTAAQXJEJOSQNA-HOCLYGCPSA-N 0 0 349.471 4.100 10 0 EIAERN CC[C@@H](CC(=O)CCCOCc1ccccc1)NC(=O)OC(C)(C)C ZINC000405709968 564177610 /nfs/dbraw/zinc/17/76/10/564177610.db2.gz ILYKTTNNSMTTNB-KRWDZBQOSA-N 0 0 349.471 4.246 10 0 EIAERN Cc1csc(C2CCN(C(=O)c3ccc(Cl)cc3F)CC2)n1 ZINC000102646453 1022595743 /nfs/dbraw/zinc/59/57/43/1022595743.db2.gz CKJQTIXYGAPKRD-UHFFFAOYSA-N 0 0 338.835 4.264 10 0 EIAERN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N[C@H](C)c1nccs1 ZINC000106264434 1022854960 /nfs/dbraw/zinc/85/49/60/1022854960.db2.gz CWZYBDDVRJZBRZ-YPMHNXCESA-N 0 0 333.457 4.118 10 0 EIAERN O=C(/C=C/c1cc2ccccc2o1)N1CCC[C@@H](c2nccs2)C1 ZINC000109052981 1023240323 /nfs/dbraw/zinc/24/03/23/1023240323.db2.gz NXHXAWCGIVZEKX-MVGZEHJDSA-N 0 0 338.432 4.309 10 0 EIAERN O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000128224147 1026368136 /nfs/dbraw/zinc/36/81/36/1026368136.db2.gz QGSPLGISLJGJMW-MEDUHNTESA-N 0 0 343.254 4.152 10 0 EIAERN CCOc1cc(F)ccc1NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000114810116 1029620741 /nfs/dbraw/zinc/62/07/41/1029620741.db2.gz UKGAXPHRJZBMHG-GFCCVEGCSA-N 0 0 349.431 4.092 10 0 EIAERN O=C(Nc1cccc2[nH]ccc21)N1CCC[C@H](c2nccs2)C1 ZINC000114813599 1029622328 /nfs/dbraw/zinc/62/23/28/1029622328.db2.gz MLUHIRMYHYZTKI-LBPRGKRZSA-N 0 0 326.425 4.036 10 0 EIAERN O=C(Nc1cccc2[nH]ccc21)N1CCC[C@@H](c2nccs2)C1 ZINC000114813601 1029622389 /nfs/dbraw/zinc/62/23/89/1029622389.db2.gz MLUHIRMYHYZTKI-GFCCVEGCSA-N 0 0 326.425 4.036 10 0 EIAERN CC(C)c1nc2ccc(NC(=O)N3C[C@H](C)O[C@@H](C)C3)cc2s1 ZINC000066979777 1029859796 /nfs/dbraw/zinc/85/97/96/1029859796.db2.gz GERHRBFPQRHFGS-RYUDHWBXSA-N 0 0 333.457 4.061 10 0 EIAERN CC(C)(C)[C@H](NC(=O)N1CCC[C@H](c2cc[nH]n2)C1)c1cccs1 ZINC000114935959 1030276244 /nfs/dbraw/zinc/27/62/44/1030276244.db2.gz CRELNJJQBKOSST-XJKSGUPXSA-N 0 0 346.500 4.148 10 0 EIAERN Cc1[nH]c2c(cccc2C(=O)Nc2cccc(-c3ncon3)c2)c1C ZINC000101525455 1030690890 /nfs/dbraw/zinc/69/08/90/1030690890.db2.gz FJFUBMAZODZVMA-UHFFFAOYSA-N 0 0 332.363 4.087 10 0 EIAERN CCc1ncsc1C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000124800294 1031091866 /nfs/dbraw/zinc/09/18/66/1031091866.db2.gz LTDLGXVNAXYVJO-HNNXBMFYSA-N 0 0 342.464 4.272 10 0 EIAERN O=C(C[C@H]1OCCc2ccccc21)N1CC=C(c2cccs2)CC1 ZINC000117719773 1031208866 /nfs/dbraw/zinc/20/88/66/1031208866.db2.gz XJSCWHJOJJTZRK-GOSISDBHSA-N 0 0 339.460 4.068 10 0 EIAERN COc1cccc([C@@H]2C[C@H]2C(=O)N2CC=C(c3ccccc3)CC2)c1 ZINC000106595176 1031273723 /nfs/dbraw/zinc/27/37/23/1031273723.db2.gz BFZRUZMYPXQRMP-LEWJYISDSA-N 0 0 333.431 4.115 10 0 EIAERN O=C(/C=C/c1ccc2ccccc2n1)N1CCC[C@@H](c2nccs2)C1 ZINC000109053207 1031296532 /nfs/dbraw/zinc/29/65/32/1031296532.db2.gz LLGNBMZUSTUTNS-ZNFPLGDCSA-N 0 0 349.459 4.111 10 0 EIAERN C[C@H](NC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1)C(C)(C)C ZINC000112461370 1031347106 /nfs/dbraw/zinc/34/71/06/1031347106.db2.gz RGVPKOPEBAGYGP-KBPBESRZSA-N 0 0 329.444 4.151 10 0 EIAERN C[C@@H](NC(=O)N1CCC(c2nc3ccccc3o2)CC1)C(C)(C)C ZINC000112460655 1031347975 /nfs/dbraw/zinc/34/79/75/1031347975.db2.gz BJGFOEKMRMOFLF-CYBMUJFWSA-N 0 0 329.444 4.151 10 0 EIAERN O=C(Nc1ccc(F)c(Cl)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000114805057 1031372733 /nfs/dbraw/zinc/37/27/33/1031372733.db2.gz GYFKAZDRAISFKS-SNVBAGLBSA-N 0 0 339.823 4.347 10 0 EIAERN O=C(c1ccc(Br)o1)N1CC=C(c2cccs2)CC1 ZINC000117722465 1031395213 /nfs/dbraw/zinc/39/52/13/1031395213.db2.gz APSGXMKLDZYWBH-UHFFFAOYSA-N 0 0 338.226 4.033 10 0 EIAERN O=C(c1nc(Cl)ccc1Cl)N1CC=C(c2cccs2)CC1 ZINC000117724530 1031395379 /nfs/dbraw/zinc/39/53/79/1031395379.db2.gz VCBSOZNSUPRFJN-UHFFFAOYSA-N 0 0 339.247 4.379 10 0 EIAERN O=C(C(C1CC1)C1CC1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000123636935 1031475090 /nfs/dbraw/zinc/47/50/90/1031475090.db2.gz PJGQBKBCYXHYBV-GOSISDBHSA-N 0 0 349.478 4.219 10 0 EIAERN CC(=O)c1ccc(NC(=O)N2CCC[C@H](c3nccs3)C2)cc1C ZINC000089449089 1039050925 /nfs/dbraw/zinc/05/09/25/1039050925.db2.gz RNAVQJLNGKVNEX-AWEZNQCLSA-N 0 0 343.452 4.066 10 0 EIAERN CSc1ccc(CN[C@@H](c2ncon2)c2ccc(Cl)cc2)cc1 ZINC000090202438 1039201312 /nfs/dbraw/zinc/20/13/12/1039201312.db2.gz OCHUEXXSHGEBOT-MRXNPFEDSA-N 0 0 345.855 4.324 10 0 EIAERN Clc1ccc(CN[C@H](c2ncon2)c2ccc(Cl)cc2)cc1 ZINC000090202591 1039202264 /nfs/dbraw/zinc/20/22/64/1039202264.db2.gz SHOUWWZYIYQQFO-HNNXBMFYSA-N 0 0 334.206 4.256 10 0 EIAERN c1csc(Cn2cccc2CN2CCCC[C@@H]2c2ncc[nH]2)c1 ZINC000092728475 1039578280 /nfs/dbraw/zinc/57/82/80/1039578280.db2.gz JNCPWFDLKSLWJR-QGZVFWFLSA-N 0 0 326.469 4.048 10 0 EIAERN Cc1ccc([C@H]2CN(Cc3cnc(-c4cccs4)s3)CCO2)o1 ZINC000093864942 1039764829 /nfs/dbraw/zinc/76/48/29/1039764829.db2.gz LMUFGHKLDMJTHV-OAHLLOKOSA-N 0 0 346.477 4.347 10 0 EIAERN O=C(N[C@@H]1CCCc2ccc(F)cc21)N[C@@H]1CCOc2ccccc21 ZINC000093120479 1042842263 /nfs/dbraw/zinc/84/22/63/1042842263.db2.gz UMPMUCOKDDNLJO-QZTJIDSGSA-N 0 0 340.398 4.026 10 0 EIAERN O=C(C[C@@H]1CCCc2ccccc21)N1CCC[C@H](c2nccs2)C1 ZINC000067048286 1045739255 /nfs/dbraw/zinc/73/92/55/1045739255.db2.gz HORJCHSUBLJDIE-IRXDYDNUSA-N 0 0 340.492 4.359 10 0 EIAERN CC[C@@H](NC(=O)N1CC[C@@H](Nc2ccccc2)C1)c1cccs1 ZINC000067631405 1045743986 /nfs/dbraw/zinc/74/39/86/1045743986.db2.gz MNHHPSOIGZCUQX-HZPDHXFCSA-N 0 0 329.469 4.095 10 0 EIAERN Cc1csc(C2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3C)CC2)n1 ZINC000076987234 1045923772 /nfs/dbraw/zinc/92/37/72/1045923772.db2.gz LBTJUULTICORGO-ZWKOTPCHSA-N 0 0 340.492 4.270 10 0 EIAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)CCc3ccsc3)C2)cc1 ZINC000078188369 1046009391 /nfs/dbraw/zinc/00/93/91/1046009391.db2.gz WRFJQIVYQIQRQV-WMLDXEAASA-N 0 0 329.465 4.094 10 0 EIAERN COc1cccc(-c2noc(CN[C@@H](C)c3ccccc3Cl)n2)c1 ZINC000078518265 1046069411 /nfs/dbraw/zinc/06/94/11/1046069411.db2.gz HDMQLZXSZFVWFH-LBPRGKRZSA-N 0 0 343.814 4.249 10 0 EIAERN O=c1ccn(Cc2ncc(-c3ccccc3Cl)o2)c2ccsc21 ZINC000078987881 1046164716 /nfs/dbraw/zinc/16/47/16/1046164716.db2.gz CRNYPJLVPSQJSD-UHFFFAOYSA-N 0 0 342.807 4.420 10 0 EIAERN Nc1ccc(OCc2ccc(Br)cc2F)cc1Cl ZINC000050471126 214057644 /nfs/dbraw/zinc/05/76/44/214057644.db2.gz PWEBMNMCBLOJMG-UHFFFAOYSA-N 0 0 330.584 4.403 10 0 EIAERN CCOc1cc(C(=O)N(C)Cc2ccc(SC)cc2)ccc1OC ZINC000097629419 219042259 /nfs/dbraw/zinc/04/22/59/219042259.db2.gz NBJRBSPOEJKPPF-UHFFFAOYSA-N 0 0 345.464 4.088 10 0 EIAERN Nc1n[nH]c(-c2ccc(Br)c(F)c2)c1-c1cccs1 ZINC000052901397 214153524 /nfs/dbraw/zinc/15/35/24/214153524.db2.gz NHZMBBNICSBIHG-UHFFFAOYSA-N 0 0 338.205 4.289 10 0 EIAERN CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1sccc1C ZINC000054618300 214246342 /nfs/dbraw/zinc/24/63/42/214246342.db2.gz ALTHJINSIOXPEJ-UHFFFAOYSA-N 0 0 347.436 4.089 10 0 EIAERN COc1ccc(Cl)cc1[C@@](C)(O)c1ccccc1Br ZINC000055191442 214285249 /nfs/dbraw/zinc/28/52/49/214285249.db2.gz KIALNXOASMHNOE-HNNXBMFYSA-N 0 0 341.632 4.367 10 0 EIAERN O=C(Nc1ccc(F)cc1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000055339186 214309312 /nfs/dbraw/zinc/30/93/12/214309312.db2.gz VEVSNGVWOGXAFE-INIZCTEOSA-N 0 0 334.778 4.085 10 0 EIAERN COc1ccc(CN(Cc2sccc2C)Cc2ccccn2)cn1 ZINC000055342970 214310411 /nfs/dbraw/zinc/31/04/11/214310411.db2.gz CMATXJYTNXRMTA-UHFFFAOYSA-N 0 0 339.464 4.058 10 0 EIAERN Cc1ccc(/C=C/C(=O)N2CCC(c3nc4ccccc4o3)CC2)o1 ZINC000049942162 214035993 /nfs/dbraw/zinc/03/59/93/214035993.db2.gz GXOQQISBNROEED-CMDGGOBGSA-N 0 0 336.391 4.149 10 0 EIAERN Nc1ccc2oc(-c3ccc(C(=O)Nc4ccccc4)cc3)nc2c1 ZINC000058863715 214606207 /nfs/dbraw/zinc/60/62/07/214606207.db2.gz MDWCSYKSSQIZAZ-UHFFFAOYSA-N 0 0 329.359 4.329 10 0 EIAERN CCOC(=O)c1cnc2nc(C)ccc2c1N(CC)c1ccccc1 ZINC000047157667 213833317 /nfs/dbraw/zinc/83/33/17/213833317.db2.gz XZZPOHBSGRSYOB-UHFFFAOYSA-N 0 0 335.407 4.273 10 0 EIAERN Cc1nn(C)c2nc(OCc3ccc(F)cc3)cc(C(F)(F)F)c12 ZINC000045995702 213772124 /nfs/dbraw/zinc/77/21/24/213772124.db2.gz LWECNVJRVINDJQ-UHFFFAOYSA-N 0 0 339.292 4.014 10 0 EIAERN CCN(CC)C(=O)c1ccc2cc(-c3n[nH]c4ccccc43)[nH]c2c1 ZINC000066066056 215005462 /nfs/dbraw/zinc/00/54/62/215005462.db2.gz SOCRIEPNZNZRSH-UHFFFAOYSA-N 0 0 332.407 4.193 10 0 EIAERN Cc1nc(NC(=O)c2ccc(NC(=O)CC(C)(C)C)cc2)sc1C ZINC000066073719 215006745 /nfs/dbraw/zinc/00/67/45/215006745.db2.gz YETLEIOGLMOZOZ-UHFFFAOYSA-N 0 0 345.468 4.387 10 0 EIAERN O=C1Nc2cc(C(F)(F)F)ccc2[C@H]1c1cc(Cl)ccc1O ZINC000003928898 210093856 /nfs/dbraw/zinc/09/38/56/210093856.db2.gz GEYOEKOXFSCBMN-ZDUSSCGKSA-N 0 0 327.689 4.148 10 0 EIAERN Clc1cc2c(cn1)ncnc2Nc1cccc(Br)c1 ZINC000003815236 210077021 /nfs/dbraw/zinc/07/70/21/210077021.db2.gz APXDAYLGZSXVDB-UHFFFAOYSA-N 0 0 335.592 4.184 10 0 EIAERN COc1cc(OCc2ccccc2)c(C(C)=O)cc1Br ZINC000003198426 209976329 /nfs/dbraw/zinc/97/63/29/209976329.db2.gz RGLYOPYXFLKWEV-UHFFFAOYSA-N 0 0 335.197 4.239 10 0 EIAERN CC(C)(C)c1c2c(nn1C(=O)c1cccs1)-c1ccccc1C2=O ZINC000002543453 209865919 /nfs/dbraw/zinc/86/59/19/209865919.db2.gz AMLZCAYRMLUGSY-UHFFFAOYSA-N 0 0 336.416 4.142 10 0 EIAERN Nc1ccccc1-c1cnn(Cc2sccc2Br)c1 ZINC000104065023 219343759 /nfs/dbraw/zinc/34/37/59/219343759.db2.gz FHGXGRZNBIZLDS-UHFFFAOYSA-N 0 0 334.242 4.005 10 0 EIAERN O=C(/C=C/c1ccco1)Nc1ccnc2ccc(Br)cc21 ZINC000041057939 213412958 /nfs/dbraw/zinc/41/29/58/213412958.db2.gz NWNTWHZWRVIYDE-GQCTYLIASA-N 0 0 343.180 4.242 10 0 EIAERN CCc1c(C(=O)OC)sc2nc(-c3ccc(OC(C)C)cc3)cn21 ZINC000041005727 213407299 /nfs/dbraw/zinc/40/72/99/213407299.db2.gz VCWBEQBJBIBYBT-UHFFFAOYSA-N 0 0 344.436 4.199 10 0 EIAERN CC(C)(C)c1cc(NC(=O)c2sccc2Br)on1 ZINC000104297992 219371766 /nfs/dbraw/zinc/37/17/66/219371766.db2.gz LVZMJAYLBWVKKR-UHFFFAOYSA-N 0 0 329.219 4.048 10 0 EIAERN O=C(NC(=S)N(C1CCCCC1)C1CCCCC1)c1ccco1 ZINC000040898303 213398620 /nfs/dbraw/zinc/39/86/20/213398620.db2.gz VJVGZRQYVHAOQK-UHFFFAOYSA-N 0 0 334.485 4.262 10 0 EIAERN CC(C)c1ccc(/C=C/C(=O)Nc2nnc([C@H]3CCCO3)s2)cc1 ZINC000040884357 213397539 /nfs/dbraw/zinc/39/75/39/213397539.db2.gz KKOMCJOLORDYFP-JOZWUWCOSA-N 0 0 343.452 4.165 10 0 EIAERN Cc1nc(NC(=O)COc2ccc(C)cc2C(C)(C)C)sc1C ZINC000040870555 213395823 /nfs/dbraw/zinc/39/58/23/213395823.db2.gz AVUDCIFOTNOAML-UHFFFAOYSA-N 0 0 332.469 4.383 10 0 EIAERN COc1cccc(N(C)c2nc(Cl)nc3ccccc32)c1OC ZINC000040860087 213393768 /nfs/dbraw/zinc/39/37/68/213393768.db2.gz FCWVBILVQLPHJJ-UHFFFAOYSA-N 0 0 329.787 4.068 10 0 EIAERN Nc1c(Nc2ccc(F)c(Cl)c2)ncnc1OC1CCCCC1 ZINC000040797732 213389049 /nfs/dbraw/zinc/38/90/49/213389049.db2.gz KJIXLBDFYWNSKU-UHFFFAOYSA-N 0 0 336.798 4.306 10 0 EIAERN Nc1c(Nc2cc(F)ccc2F)ncnc1Nc1cc(F)ccc1F ZINC000040800112 213388096 /nfs/dbraw/zinc/38/80/96/213388096.db2.gz WSIVDHRWBQXRLA-UHFFFAOYSA-N 0 0 349.291 4.102 10 0 EIAERN Cc1cccc(Nc2ncnc(Nc3cccc4ncccc43)c2N)c1 ZINC000040781671 213385892 /nfs/dbraw/zinc/38/58/92/213385892.db2.gz JYCPBRJMGSUOJE-UHFFFAOYSA-N 0 0 342.406 4.403 10 0 EIAERN COc1ccc(Oc2ncnc(Sc3ccc(C)cc3)c2N)cc1 ZINC000040783450 213386446 /nfs/dbraw/zinc/38/64/46/213386446.db2.gz LTYUFXAGACWVOR-UHFFFAOYSA-N 0 0 339.420 4.319 10 0 EIAERN CCOc1ccccc1Nc1ncnc(Nc2ccccc2F)c1N ZINC000040759338 213383591 /nfs/dbraw/zinc/38/35/91/213383591.db2.gz IYKCYQVLMXGWJT-UHFFFAOYSA-N 0 0 339.374 4.084 10 0 EIAERN Nc1c(Nc2ccccn2)ncnc1Sc1ccc(Cl)cc1 ZINC000040723023 213376617 /nfs/dbraw/zinc/37/66/17/213376617.db2.gz LHBOEPKWPAMIFA-UHFFFAOYSA-N 0 0 329.816 4.002 10 0 EIAERN Nc1c(Oc2cccnc2)ncnc1Oc1cccc2ccccc21 ZINC000040683387 213369820 /nfs/dbraw/zinc/36/98/20/213369820.db2.gz UCZHULMTQXXAIM-UHFFFAOYSA-N 0 0 330.347 4.192 10 0 EIAERN COc1ccc(C)cc1Nc1ncnc(NC2CCCCCC2)c1N ZINC000040684506 213369628 /nfs/dbraw/zinc/36/96/28/213369628.db2.gz IPMRZAHWGIPAPW-UHFFFAOYSA-N 0 0 341.459 4.254 10 0 EIAERN Cc1cccc(Nc2ncnc(Nc3ccc(C)c(Cl)c3)c2N)n1 ZINC000040685268 213369305 /nfs/dbraw/zinc/36/93/05/213369305.db2.gz VJCNUQDZAVOIBW-UHFFFAOYSA-N 0 0 340.818 4.211 10 0 EIAERN Cc1cccc(Nc2ncnc(Sc3ccc(Cl)cc3)c2N)n1 ZINC000040685314 213369322 /nfs/dbraw/zinc/36/93/22/213369322.db2.gz QDYJHBJMYARGGI-UHFFFAOYSA-N 0 0 343.843 4.310 10 0 EIAERN CCc1ccc(Nc2ncnc(Nc3nc(C)c(C)s3)c2N)cc1 ZINC000040688505 213368951 /nfs/dbraw/zinc/36/89/51/213368951.db2.gz SYIDPVAZFYTLBG-UHFFFAOYSA-N 0 0 340.456 4.182 10 0 EIAERN CCCCNc1ncnc(Nc2cc(Cl)ccc2Cl)c1N ZINC000040706541 213371879 /nfs/dbraw/zinc/37/18/79/213371879.db2.gz HWXFSSYDLDBKQU-UHFFFAOYSA-N 0 0 326.231 4.321 10 0 EIAERN Cc1ccc(Nc2ncnc(Nc3ccc(C(C)C)cc3)c2N)nc1 ZINC000040706288 213371710 /nfs/dbraw/zinc/37/17/10/213371710.db2.gz SDOZOXUPQMEUPE-UHFFFAOYSA-N 0 0 334.427 4.373 10 0 EIAERN Nc1c(Oc2cccc3ccccc32)ncnc1N1CCCCCC1 ZINC000040683023 213368527 /nfs/dbraw/zinc/36/85/27/213368527.db2.gz CQZWCHDPZARMRO-UHFFFAOYSA-N 0 0 334.423 4.385 10 0 EIAERN Cc1ccc(CNc2ncnc(Oc3cc(C)cc(C)c3)c2N)cc1 ZINC000040681494 213368458 /nfs/dbraw/zinc/36/84/58/213368458.db2.gz OEOYGFODGZBVEC-UHFFFAOYSA-N 0 0 334.423 4.388 10 0 EIAERN CCN(c1cccc(C)c1)c1ncnc(Nc2ccccc2F)c1N ZINC000040661785 213366352 /nfs/dbraw/zinc/36/63/52/213366352.db2.gz IOTRNQUOQXLSSW-UHFFFAOYSA-N 0 0 337.402 4.408 10 0 EIAERN CCOc1ccc(/C=C/C(=O)Nc2nc3c(s2)CCCC3)cc1 ZINC000001974492 209809901 /nfs/dbraw/zinc/80/99/01/209809901.db2.gz GXLCVNNMZLDOGR-FMIVXFBMSA-N 0 0 328.437 4.073 10 0 EIAERN CCn1c(Cc2ccc(OC)c(OC)c2)nc2ccc(Cl)cc21 ZINC000040417199 213301603 /nfs/dbraw/zinc/30/16/03/213301603.db2.gz JFVLNIVGFSKINZ-UHFFFAOYSA-N 0 0 330.815 4.318 10 0 EIAERN CC[C@H](Oc1ccccc1N)C(=O)c1ccc(Br)cc1 ZINC000040352980 213291866 /nfs/dbraw/zinc/29/18/66/213291866.db2.gz JWJDXVYIRFZPLW-AWEZNQCLSA-N 0 0 334.213 4.072 10 0 EIAERN Cc1cc2nc(CCCO)n(Cc3ccccc3Cl)c2cc1C ZINC000040310953 213290960 /nfs/dbraw/zinc/29/09/60/213290960.db2.gz YATUTCPSQYJADF-UHFFFAOYSA-N 0 0 328.843 4.280 10 0 EIAERN CC(=O)NCc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000040274085 213287067 /nfs/dbraw/zinc/28/70/67/213287067.db2.gz PBLXWEOGWOZGSE-UHFFFAOYSA-N 0 0 348.233 4.028 10 0 EIAERN CC(C)CCn1c(CCCNC(=O)c2ccccc2)nc2ccccc21 ZINC000040205734 213281435 /nfs/dbraw/zinc/28/14/35/213281435.db2.gz WNAALIUPQLTFQQ-UHFFFAOYSA-N 0 0 349.478 4.445 10 0 EIAERN Cn1cc(C(=O)Nc2cccc(Cl)c2)c(=O)c2cccc(Cl)c21 ZINC000039962950 213247191 /nfs/dbraw/zinc/24/71/91/213247191.db2.gz JFFABJXACHSKFL-UHFFFAOYSA-N 0 0 347.201 4.098 10 0 EIAERN O=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1c1ccc(O)cc1 ZINC000039860453 213243697 /nfs/dbraw/zinc/24/36/97/213243697.db2.gz USKSYNNBIKZAMF-ZROIWOOFSA-N 0 0 331.780 4.287 10 0 EIAERN CCOC(=O)c1sc(COc2ccc(Cl)c(C)c2)nc1C ZINC000038548308 213214910 /nfs/dbraw/zinc/21/49/10/213214910.db2.gz RRVYDWUDLFSQLL-UHFFFAOYSA-N 0 0 325.817 4.169 10 0 EIAERN Oc1ccc([C@@H]2COc3cc(O)ccc3[C@H]2c2ccc(O)cc2)cc1 ZINC000038305366 213208035 /nfs/dbraw/zinc/20/80/35/213208035.db2.gz VXHSDGZMRLGSEJ-PZJWPPBQSA-N 0 0 334.371 4.112 10 0 EIAERN COc1ccc(CON2C(=O)CS[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000038149944 213204060 /nfs/dbraw/zinc/20/40/60/213204060.db2.gz HVCRJNNBBJXFPY-QGZVFWFLSA-N 0 0 349.839 4.054 10 0 EIAERN C[C@H](c1ccc(Br)cc1)N1CCc2c(N)cccc2C1 ZINC000038032640 213194668 /nfs/dbraw/zinc/19/46/68/213194668.db2.gz WACULMUWZQGVBF-GFCCVEGCSA-N 0 0 331.257 4.151 10 0 EIAERN CCOC(=O)c1cccnc1N[C@@H](C)c1cccc(Br)c1 ZINC000038012651 213189245 /nfs/dbraw/zinc/18/92/45/213189245.db2.gz YALQECYWUHTUKZ-NSHDSACASA-N 0 0 349.228 4.194 10 0 EIAERN C[C@H](Nc1cccnc1-n1cccn1)c1ccc(Br)s1 ZINC000038003095 213187892 /nfs/dbraw/zinc/18/78/92/213187892.db2.gz GUGXKKRWYPRITL-JTQLQIEISA-N 0 0 349.257 4.264 10 0 EIAERN C[C@H](Nc1cc2ccccc2c(=O)[nH]1)c1cccc(Br)c1 ZINC000038012639 213188252 /nfs/dbraw/zinc/18/82/52/213188252.db2.gz RMIICTKJLDLRII-NSHDSACASA-N 0 0 343.224 4.464 10 0 EIAERN C[C@@H](NC(=O)c1cc(Cl)nc(Cl)c1)c1cc(F)ccc1F ZINC000037983488 213182670 /nfs/dbraw/zinc/18/26/70/213182670.db2.gz LFXZHXAVTLMBEU-SSDOTTSWSA-N 0 0 331.149 4.158 10 0 EIAERN C[C@@H](NC(=O)c1cnc(Cl)c(Cl)c1)c1cc(F)ccc1F ZINC000037983711 213182086 /nfs/dbraw/zinc/18/20/86/213182086.db2.gz KWWNLHSJHWJTSL-SSDOTTSWSA-N 0 0 331.149 4.158 10 0 EIAERN CN[C@@H](c1ccc(Br)s1)c1c(F)cc(OC)cc1F ZINC000037903424 213172968 /nfs/dbraw/zinc/17/29/68/213172968.db2.gz SHPWVAJKBOXFQP-ZDUSSCGKSA-N 0 0 348.212 4.106 10 0 EIAERN Cc1ccc(Oc2ccc(C(N)=S)cc2F)c(Br)c1 ZINC000036887580 213125153 /nfs/dbraw/zinc/12/51/53/213125153.db2.gz FEFDEBSDHQBWKX-UHFFFAOYSA-N 0 0 340.217 4.323 10 0 EIAERN CCCCc1ccc(-n2nnc(C(=O)Oc3ccc(C)cc3)c2C)cc1 ZINC000036638975 213106090 /nfs/dbraw/zinc/10/60/90/213106090.db2.gz JYEHAAWQDVMSJL-UHFFFAOYSA-N 0 0 349.434 4.446 10 0 EIAERN Ic1ccc(OC/C=C/c2ccccc2)cc1 ZINC000070136009 215675951 /nfs/dbraw/zinc/67/59/51/215675951.db2.gz OXSKMZJMVPALMJ-QPJJXVBHSA-N 0 0 336.172 4.383 10 0 EIAERN O=S(=O)(Oc1cccc2cccnc21)c1cccc2ccccc21 ZINC000035685919 213046119 /nfs/dbraw/zinc/04/61/19/213046119.db2.gz QOHRAAGCZHXBMK-UHFFFAOYSA-N 0 0 335.384 4.156 10 0 EIAERN CN[C@H](c1ccc(Br)s1)c1c(F)cc(F)cc1F ZINC000035469397 213031447 /nfs/dbraw/zinc/03/14/47/213031447.db2.gz KOLUDBXQHCZMTO-GFCCVEGCSA-N 0 0 336.176 4.237 10 0 EIAERN CCCN(CCC)C(=O)c1cc(-c2ccc(F)c(F)c2)n(CC)n1 ZINC000034901862 212995990 /nfs/dbraw/zinc/99/59/90/212995990.db2.gz LAFZQKUDVOOVFG-UHFFFAOYSA-N 0 0 335.398 4.110 10 0 EIAERN O=C(c1ccncc1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000034007285 212973151 /nfs/dbraw/zinc/97/31/51/212973151.db2.gz VYNYUNGQMXPSQY-HXUWFJFHSA-N 0 0 327.387 4.073 10 0 EIAERN C[C@@H]1CCCCN1c1nc(Br)c(Br)s1 ZINC000072192930 216068510 /nfs/dbraw/zinc/06/85/10/216068510.db2.gz ZPBGEQNREZYWQG-ZCFIWIBFSA-N 0 0 340.084 4.047 10 0 EIAERN COc1ccc(C(=O)c2cc(Br)ccc2Cl)cc1 ZINC000037287663 213137989 /nfs/dbraw/zinc/13/79/89/213137989.db2.gz NIEQZZXEZYUFMQ-UHFFFAOYSA-N 0 0 325.589 4.342 10 0 EIAERN NC(=S)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1cccs1 ZINC000072413981 216204901 /nfs/dbraw/zinc/20/49/01/216204901.db2.gz FIYGRHFEKJOISL-INIZCTEOSA-N 0 0 337.473 4.296 10 0 EIAERN O=c1[nH]c(N2N=C(c3ccc(F)cc3)C[C@@H]2c2cccs2)cs1 ZINC000072413950 216204944 /nfs/dbraw/zinc/20/49/44/216204944.db2.gz CNFPYFXBZSAIDB-CYBMUJFWSA-N 0 0 345.424 4.304 10 0 EIAERN O[C@H](CNc1cc(Br)ccc1F)c1ccccc1Cl ZINC000037891773 213172837 /nfs/dbraw/zinc/17/28/37/213172837.db2.gz LSWINSCBSAUCMT-CQSZACIVSA-N 0 0 344.611 4.387 10 0 EIAERN Cc1ccc(-c2ccnc3nc(Nc4ccccc4)[nH]c(=O)c32)cc1 ZINC000072440375 216234346 /nfs/dbraw/zinc/23/43/46/216234346.db2.gz SOLWSWXDORCERZ-UHFFFAOYSA-N 0 0 328.375 4.037 10 0 EIAERN CCc1nn2c3c(cnc2c1-c1ccc(Br)cc1)CCC3 ZINC000072451869 216239479 /nfs/dbraw/zinc/23/94/79/216239479.db2.gz AEVLRJZIMOWJAT-UHFFFAOYSA-N 0 0 342.240 4.210 10 0 EIAERN CCc1c(C)nc(Cc2cccc(Br)c2)nc1Cl ZINC000038004004 213187309 /nfs/dbraw/zinc/18/73/09/213187309.db2.gz UBQMUZRAROVDIP-UHFFFAOYSA-N 0 0 325.637 4.354 10 0 EIAERN C[C@H](NS(=O)(=O)c1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000023864152 212398011 /nfs/dbraw/zinc/39/80/11/212398011.db2.gz QHRRZEQBPLMHKH-JTQLQIEISA-N 0 0 330.236 4.033 10 0 EIAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(C)c1C ZINC000022699923 212318332 /nfs/dbraw/zinc/31/83/32/212318332.db2.gz DCUWSDYAJICTSW-IFXJQAMLSA-N 0 0 338.451 4.087 10 0 EIAERN Cc1cc2nnn(C(=O)CSc3ccc(Cl)cc3)c2c(C)c1 ZINC000226359683 242101510 /nfs/dbraw/zinc/10/15/10/242101510.db2.gz IVVBRFUKGDGDNI-UHFFFAOYSA-N 0 0 331.828 4.134 10 0 EIAERN COc1cc(N)ccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000227147633 242122223 /nfs/dbraw/zinc/12/22/23/242122223.db2.gz IVCAOLIHRQWFEX-UHFFFAOYSA-N 0 0 342.782 4.443 10 0 EIAERN CCN(CC)c1ccc(NC(=O)c2cc(N)ccc2Cl)c(C)c1 ZINC000226272395 242092129 /nfs/dbraw/zinc/09/21/29/242092129.db2.gz GHAHNULJKQEBTN-UHFFFAOYSA-N 0 0 331.847 4.329 10 0 EIAERN COc1c(Cl)cc(C(=O)Nc2cccc([C@H](C)O)c2)cc1Cl ZINC000226274644 242093173 /nfs/dbraw/zinc/09/31/73/242093173.db2.gz WTEMCHYBYUEQHG-VIFPVBQESA-N 0 0 340.206 4.308 10 0 EIAERN CNc1ccc2nc(-c3ccc(OC)c(Br)c3)oc2c1 ZINC000226271949 242093317 /nfs/dbraw/zinc/09/33/17/242093317.db2.gz BYYFFWLZBGELNY-UHFFFAOYSA-N 0 0 333.185 4.308 10 0 EIAERN COc1cc(CO)cc(CSC)c1OCc1ccc(Cl)cc1 ZINC000226288368 242094377 /nfs/dbraw/zinc/09/43/77/242094377.db2.gz KXBAMHPYVHIRIG-UHFFFAOYSA-N 0 0 338.856 4.283 10 0 EIAERN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(-c3ccc(Cl)c(N)c3)o2)C1 ZINC000226301502 242096929 /nfs/dbraw/zinc/09/69/29/242096929.db2.gz ZCBGOBKRWZUCNX-VXGBXAGGSA-N 0 0 332.831 4.300 10 0 EIAERN Cc1cc(N)c(NC(=O)c2ccc(F)cc2)cc1N1CCC(C)CC1 ZINC000226330421 242097573 /nfs/dbraw/zinc/09/75/73/242097573.db2.gz ROSXRFHMFIJDQP-UHFFFAOYSA-N 0 0 341.430 4.205 10 0 EIAERN Cc1cc(N)c(NC(=O)c2ccc(F)cc2)cc1N1CCC[C@H](C)C1 ZINC000226330474 242097783 /nfs/dbraw/zinc/09/77/83/242097783.db2.gz BAHHRYPXNWHVRQ-ZDUSSCGKSA-N 0 0 341.430 4.205 10 0 EIAERN Cc1cc(N)c(NC(=O)c2ccc(F)cc2)cc1N1CCC[C@@H](C)C1 ZINC000226330469 242098023 /nfs/dbraw/zinc/09/80/23/242098023.db2.gz BAHHRYPXNWHVRQ-CYBMUJFWSA-N 0 0 341.430 4.205 10 0 EIAERN Cc1cc(N)c(NC(=O)c2ccc(F)cc2)cc1N1CCCC[C@H]1C ZINC000226330377 242098584 /nfs/dbraw/zinc/09/85/84/242098584.db2.gz ALRAXQBCTNEBDX-CQSZACIVSA-N 0 0 341.430 4.347 10 0 EIAERN COc1ccccc1CNc1c(-c2ccccc2)nc2ncccn21 ZINC000021631304 212234648 /nfs/dbraw/zinc/23/46/48/212234648.db2.gz BWJBPOZANFETPL-UHFFFAOYSA-N 0 0 330.391 4.017 10 0 EIAERN CC(=O)Nc1ccc(S[C@@H](C)C(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000229475572 242166070 /nfs/dbraw/zinc/16/60/70/242166070.db2.gz CWIREUOYRDTFPL-COJSNBRMSA-N 0 0 348.512 4.067 10 0 EIAERN Oc1ccccc1C1=N[C@@H](c2ccc(F)cc2)N[C@H](c2cccnc2)C1 ZINC000021365598 212223514 /nfs/dbraw/zinc/22/35/14/212223514.db2.gz VAMQWRKAMNDGGA-RXVVDRJESA-N 0 0 347.393 4.149 10 0 EIAERN O=C(c1ccc(-c2ccccc2)cc1)N1CCN=C1c1ccccc1 ZINC000020530382 212143798 /nfs/dbraw/zinc/14/37/98/212143798.db2.gz UDCXIFUXKPVUHH-UHFFFAOYSA-N 0 0 326.399 4.256 10 0 EIAERN Cc1cc(-c2ccnc(Cl)n2)ccc1CNC(=O)OC(C)(C)C ZINC000253496196 244004977 /nfs/dbraw/zinc/00/49/77/244004977.db2.gz TXVKGHXLXODMEL-UHFFFAOYSA-N 0 0 333.819 4.130 10 0 EIAERN CN1C[C@H](c2ccc(Cl)cc2)C(=O)[C@@H](c2cccc(Cl)c2)C1 ZINC000255995044 244061454 /nfs/dbraw/zinc/06/14/54/244061454.db2.gz POXOWTWAYFMUDK-IAGOWNOFSA-N 0 0 334.246 4.375 10 0 EIAERN O=C(Cc1nc2ccccc2s1)c1cccc(Br)c1 ZINC000020426970 212127830 /nfs/dbraw/zinc/12/78/30/212127830.db2.gz WIEVEXGQOMEMHY-UHFFFAOYSA-N 0 0 332.222 4.484 10 0 EIAERN Nc1cc(Cl)ccc1OCc1ccc(F)cc1Br ZINC000019805179 212071342 /nfs/dbraw/zinc/07/13/42/212071342.db2.gz BHVOUZFVAVCQDR-UHFFFAOYSA-N 0 0 330.584 4.403 10 0 EIAERN Nc1cc(Cl)ccc1OCc1cc(Br)ccc1F ZINC000019805181 212070775 /nfs/dbraw/zinc/07/07/75/212070775.db2.gz QLJNGAQXAUIDAS-UHFFFAOYSA-N 0 0 330.584 4.403 10 0 EIAERN Cc1ccc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)c(Cl)c1 ZINC000015500494 211827396 /nfs/dbraw/zinc/82/73/96/211827396.db2.gz TYOKDTCXBHMBBZ-HNNXBMFYSA-N 0 0 346.839 4.090 10 0 EIAERN O=C(NC(=S)Nc1cccc(Cl)c1Cl)C1CCCCC1 ZINC000012403316 211369090 /nfs/dbraw/zinc/36/90/90/211369090.db2.gz QHZCLOLVHLDNJI-UHFFFAOYSA-N 0 0 331.268 4.387 10 0 EIAERN Cc1nc([C@@H](C)Nc2nncc(-c3cccc(Cl)c3)n2)c(C)s1 ZINC000012192222 211314986 /nfs/dbraw/zinc/31/49/86/211314986.db2.gz MCDZOLMWAKXCGW-SECBINFHSA-N 0 0 345.859 4.438 10 0 EIAERN COC(=O)c1cccc2c(Br)cc(-c3ccccc3)nc12 ZINC000090513513 217934994 /nfs/dbraw/zinc/93/49/94/217934994.db2.gz OXCWZPKDSRJDDU-UHFFFAOYSA-N 0 0 342.192 4.451 10 0 EIAERN COC(=O)c1sc2ncnc(Nc3ccc(Cl)cc3C)c2c1C ZINC000012131590 211301769 /nfs/dbraw/zinc/30/17/69/211301769.db2.gz MTWCYENNEDZZJW-UHFFFAOYSA-N 0 0 347.827 4.492 10 0 EIAERN CCN(Cc1ccccc1)C(=O)c1cc([C@@H](C)c2ccccc2)no1 ZINC000012056371 211284782 /nfs/dbraw/zinc/28/47/82/211284782.db2.gz AXZDWPQYVDLUPT-INIZCTEOSA-N 0 0 334.419 4.489 10 0 EIAERN CCOC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2 ZINC000091691796 218049408 /nfs/dbraw/zinc/04/94/08/218049408.db2.gz AIYGICYSEIDTNV-UHFFFAOYSA-N 0 0 345.483 4.264 10 0 EIAERN CCC(=O)Oc1c(CC)s/c(=N\c2ccccc2C)n1C(=O)CC ZINC000011638133 211228508 /nfs/dbraw/zinc/22/85/08/211228508.db2.gz BRKBNOYIIJHCQM-HNENSFHCSA-N 0 0 346.452 4.018 10 0 EIAERN CC(C)(C)OC(=O)N1CCC[C@H](CCCOCc2ccccn2)C1 ZINC000095085090 218276752 /nfs/dbraw/zinc/27/67/52/218276752.db2.gz NPWUGAXBBINHAU-MRXNPFEDSA-N 0 0 334.460 4.026 10 0 EIAERN CC(C)(C)OC(=O)N1CCCC[C@H]1CCCOCc1cncs1 ZINC000095086307 218277377 /nfs/dbraw/zinc/27/73/77/218277377.db2.gz FIUIWCARQMTYOB-AWEZNQCLSA-N 0 0 340.489 4.230 10 0 EIAERN CC(C)(C)OC(=O)N1CCCC[C@H]1COc1nsc2ccccc21 ZINC000095086657 218277552 /nfs/dbraw/zinc/27/75/52/218277552.db2.gz XIQRKYPPNDFMBN-ZDUSSCGKSA-N 0 0 348.468 4.465 10 0 EIAERN CC(C)(C)OC(=O)NC[C@H]1CCCN(c2nsc3ccccc32)C1 ZINC000095087555 218278793 /nfs/dbraw/zinc/27/87/93/218278793.db2.gz XSIWRIHCLSGJNV-CYBMUJFWSA-N 0 0 347.484 4.037 10 0 EIAERN Cc1ccnc(OCCC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000095089972 218279224 /nfs/dbraw/zinc/27/92/24/218279224.db2.gz VVEWINXXDRPDAK-INIZCTEOSA-N 0 0 334.460 4.196 10 0 EIAERN CC(C)(O)c1nc2ccccc2n1CCCOc1ccc(Cl)cc1 ZINC000008786013 211007718 /nfs/dbraw/zinc/00/77/18/211007718.db2.gz AMUQLHGISHDDNB-UHFFFAOYSA-N 0 0 344.842 4.386 10 0 EIAERN Cc1nc2scc(-c3cccs3)c2c(NC2CCC(O)CC2)n1 ZINC000008728974 210993637 /nfs/dbraw/zinc/99/36/37/210993637.db2.gz RTTLEFJZVMKWKW-UHFFFAOYSA-N 0 0 345.493 4.444 10 0 EIAERN CCCCOC(=O)c1cccc(NC(=O)c2ccccc2OCC)c1 ZINC000005420175 210460613 /nfs/dbraw/zinc/46/06/13/210460613.db2.gz LIYRAOCLWKEPSL-UHFFFAOYSA-N 0 0 341.407 4.295 10 0 EIAERN CC(C)(C)[C@H]1OCC[C@@H]1c1nnc(CCc2cccc(F)c2F)o1 ZINC000299753933 258006775 /nfs/dbraw/zinc/00/67/75/258006775.db2.gz ZWCSUSMHYYHOSN-LRDDRELGSA-N 0 0 336.382 4.052 10 0 EIAERN Clc1ccc2cc(CNCc3ccco3)c(N3CCCC3)nc2c1 ZINC000299796431 258100207 /nfs/dbraw/zinc/10/02/07/258100207.db2.gz NWUJXJSTAOZCRD-UHFFFAOYSA-N 0 0 341.842 4.371 10 0 EIAERN Nc1ccc2c(c1)N(Cc1ccc(Br)s1)CCS2 ZINC000038051441 132396696 /nfs/dbraw/zinc/39/66/96/132396696.db2.gz OPPNEZOPYJHWBU-UHFFFAOYSA-N 0 0 341.299 4.205 10 0 EIAERN CCOC(=O)[C@@H](c1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 ZINC000057353612 521087474 /nfs/dbraw/zinc/08/74/74/521087474.db2.gz MJHYLHHVGUJNER-OAHLLOKOSA-N 0 0 342.782 4.085 10 0 EIAERN CCCN(CCC)c1ccc(N)cc1C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000226323638 535326971 /nfs/dbraw/zinc/32/69/71/535326971.db2.gz CEIOJRKNTZTLKK-IYBDPMFKSA-N 0 0 331.504 4.298 10 0 EIAERN Cc1nn(C(=O)C2CC2)c(C)c1Sc1ccc(C(F)(F)F)cn1 ZINC000003149334 563474883 /nfs/dbraw/zinc/47/48/83/563474883.db2.gz KIPURUSAJBRYIB-UHFFFAOYSA-N 0 0 341.358 4.115 10 0 EIAERN CCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1C)CCCC3 ZINC000033043052 563934300 /nfs/dbraw/zinc/93/43/00/563934300.db2.gz AVHWDHKAEGVFOY-ZDUSSCGKSA-N 0 0 343.496 4.414 10 0 EIAERN O=C(OCc1ccccc1)N1Cc2ccc(Br)cc2C1 ZINC000146104311 563977787 /nfs/dbraw/zinc/97/77/87/563977787.db2.gz LZCLZPXCOKSFNU-UHFFFAOYSA-N 0 0 332.197 4.102 10 0 EIAERN CC(C)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000015002467 564052146 /nfs/dbraw/zinc/05/21/46/564052146.db2.gz QZDJTKPNYYZIOS-UHFFFAOYSA-N 0 0 340.448 4.272 10 0 EIAERN COC(=O)[C@H](C)c1cc(Cl)nc2c(C)c(Br)ccc21 ZINC000675068194 564112500 /nfs/dbraw/zinc/11/25/00/564112500.db2.gz NNUJIYZVVVCMPS-SSDOTTSWSA-N 0 0 342.620 4.236 10 0 EIAERN CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000675055612 564111849 /nfs/dbraw/zinc/11/18/49/564111849.db2.gz VTXLJHKFHRECSZ-FZMZJTMJSA-N 0 0 345.270 4.311 10 0 EIAERN C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@]21CC[C@@H](O)O1 ZINC000077293655 564134225 /nfs/dbraw/zinc/13/42/25/564134225.db2.gz ZVNZJDMKEHMICK-RGLWXPGGSA-N 0 0 346.511 4.178 10 0 in-vitro EIAERN CCOc1ccc([C@@H](CC(N)=O)c2c[nH]c3c2cccc3CC)cc1 ZINC000096278708 564146337 /nfs/dbraw/zinc/14/63/37/564146337.db2.gz QDRGZGZRPXJVAX-GOSISDBHSA-N 0 0 336.435 4.136 10 0 EIAERN C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)C(C)(C)C ZINC000685961886 564177201 /nfs/dbraw/zinc/17/72/01/564177201.db2.gz PTAAQXJEJOSQNA-ZBFHGGJFSA-N 0 0 349.471 4.100 10 0 EIAERN C[C@@H](COCc1ccccc1)CC(=O)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000685962160 564177246 /nfs/dbraw/zinc/17/72/46/564177246.db2.gz WRVAETOGVNSBME-HZPDHXFCSA-N 0 0 349.471 4.102 10 0 EIAERN C[C@H](COCc1ccccc1)CC(=O)CCN(C)C(=O)OC(C)(C)C ZINC000685962554 564177259 /nfs/dbraw/zinc/17/72/59/564177259.db2.gz MUHIYBAQSYBUJO-INIZCTEOSA-N 0 0 349.471 4.056 10 0 EIAERN C[C@H](CNC(=O)OC(C)(C)C)CC(=O)CCCOCc1ccccc1 ZINC000406011970 564177638 /nfs/dbraw/zinc/17/76/38/564177638.db2.gz AMVXSEOSJDPGNE-INIZCTEOSA-N 0 0 349.471 4.103 10 0 EIAERN CN(C)c1c(Br)cc(Br)c2ccccc21 ZINC000036452492 568415508 /nfs/dbraw/zinc/41/55/08/568415508.db2.gz PHAGQBWFZBCAFI-UHFFFAOYSA-N 0 0 329.035 4.431 10 0 EIAERN CS(=O)(=O)c1ccc(C2=CC3(C=C2c2ccc(F)cc2)CC3)cc1 ZINC000000006509 581099693 /nfs/dbraw/zinc/09/96/93/581099693.db2.gz CJAWPKAYKMKKAD-UHFFFAOYSA-N 0 0 340.419 4.490 10 0 EIAERN CCC1CCC(NC(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC000119151943 1022402129 /nfs/dbraw/zinc/40/21/29/1022402129.db2.gz ZAQBSLBWNDRDRH-SOTJZCEJSA-N 0 0 330.472 4.175 10 0 EIAERN CCc1nc(C)c([C@H](C)N(C)C(=O)[C@@H]2Oc3ccccc3[C@H]2C)s1 ZINC000119686152 1026084629 /nfs/dbraw/zinc/08/46/29/1026084629.db2.gz DBLKXYREZPAJFN-BTJLNZGRSA-N 0 0 344.480 4.098 10 0 EIAERN CO[C@@H](C)c1cccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000114813915 1027838868 /nfs/dbraw/zinc/83/88/68/1027838868.db2.gz NBRIZWOHVKHUOY-DZGCQCFKSA-N 0 0 345.468 4.262 10 0 EIAERN Cc1cc2cc(NC(=O)N3CCC[C@@H](c4nccs4)C3)ccc2[nH]1 ZINC000114814812 1029625994 /nfs/dbraw/zinc/62/59/94/1029625994.db2.gz KRHZEIOPVWUGAH-CYBMUJFWSA-N 0 0 340.452 4.344 10 0 EIAERN Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000114824572 1029644706 /nfs/dbraw/zinc/64/47/06/1029644706.db2.gz BYPSBQWDWNTDJX-GOEBONIOSA-N 0 0 329.469 4.102 10 0 EIAERN O=C([C@@H]1C[C@H]1c1ccc(F)c(F)c1)N1CC=C(c2cccs2)CC1 ZINC000117719189 1031207503 /nfs/dbraw/zinc/20/75/03/1031207503.db2.gz JOVIPMQLJAXUEB-LSDHHAIUSA-N 0 0 345.414 4.446 10 0 EIAERN O=C(CCC(=O)N1CC=C(c2cccs2)CC1)c1ccccc1 ZINC000117856320 1031261843 /nfs/dbraw/zinc/26/18/43/1031261843.db2.gz FEIMSQUSMBDZLO-UHFFFAOYSA-N 0 0 325.433 4.027 10 0 EIAERN CCCO[C@H]1CCCN(C(=O)/C=C/c2cccc3cccnc23)CC1 ZINC000108232381 1031290408 /nfs/dbraw/zinc/29/04/08/1031290408.db2.gz VLKUKEIVXUWPIF-VYENPZKTSA-N 0 0 338.451 4.056 10 0 EIAERN CC[C@@H](NC(=O)N1CCC[C@@H](c2nccs2)C1)c1cccs1 ZINC000114825018 1031376149 /nfs/dbraw/zinc/37/61/49/1031376149.db2.gz RPDCBARAWUVBMH-CHWSQXEVSA-N 0 0 335.498 4.245 10 0 EIAERN O=C(N[C@@H]1CCCOc2ccccc21)N1CCC[C@H]1c1ccco1 ZINC000116426734 1031385451 /nfs/dbraw/zinc/38/54/51/1031385451.db2.gz WYUSJFBBWCCMNM-CVEARBPZSA-N 0 0 326.396 4.040 10 0 EIAERN CCc1cc(C(=O)N2CCC(c3nc(C)cs3)CC2)oc1CC ZINC000119024462 1031404774 /nfs/dbraw/zinc/40/47/74/1031404774.db2.gz WKCPRJUQXPPTDC-UHFFFAOYSA-N 0 0 332.469 4.189 10 0 EIAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCC[C@H]2c2ccccc2)n1 ZINC000119131861 1031407543 /nfs/dbraw/zinc/40/75/43/1031407543.db2.gz ZNYRSINSDMQHBS-INIZCTEOSA-N 0 0 347.409 4.454 10 0 EIAERN Cc1csc(C2CCN(C(=O)[C@H]3CSc4ccccc43)CC2)n1 ZINC000118327454 1031454786 /nfs/dbraw/zinc/45/47/86/1031454786.db2.gz HGRMCSCFQACRSN-HNNXBMFYSA-N 0 0 344.505 4.047 10 0 EIAERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCc2c3ccccc3[nH]c2C1 ZINC000089915528 1039138652 /nfs/dbraw/zinc/13/86/52/1039138652.db2.gz VZKGJKQHVZLEGI-OALUTQOASA-N 0 0 330.431 4.165 10 0 EIAERN O=C(c1ccccc1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113219164 1043296832 /nfs/dbraw/zinc/29/68/32/1043296832.db2.gz JCOGLSAOFDABQW-SFHVURJKSA-N 0 0 331.419 4.097 10 0 EIAERN CCOc1ccc(NC(=O)Nc2cccc(-c3noc(C)n3)c2)cc1 ZINC000113555004 1043927079 /nfs/dbraw/zinc/92/70/79/1043927079.db2.gz YZEULVKJLHKMQA-UHFFFAOYSA-N 0 0 338.367 4.088 10 0 EIAERN O=C(N1CCC[C@@H](c2nccs2)C1)C1(c2cccc(Cl)c2)CC1 ZINC000067047569 1045736647 /nfs/dbraw/zinc/73/66/47/1045736647.db2.gz DTZYCINORYUEEO-CYBMUJFWSA-N 0 0 346.883 4.234 10 0 EIAERN Clc1ccccc1-c1cnc(CNc2ccc3c(c2)OCCO3)o1 ZINC000072911265 1045801281 /nfs/dbraw/zinc/80/12/81/1045801281.db2.gz QKAIYJHEFRPFSY-UHFFFAOYSA-N 0 0 342.782 4.378 10 0 EIAERN COc1ccc([C@@H]2CCCN2C(=O)CSc2cccs2)cc1 ZINC000073573244 1045806193 /nfs/dbraw/zinc/80/61/93/1045806193.db2.gz YIXZWFWOFQHSFS-HNNXBMFYSA-N 0 0 333.478 4.213 10 0 EIAERN C[C@@H](Oc1cccc(C=O)c1)C(=O)N1CCCCC[C@H]1c1ccco1 ZINC000076651416 1045900828 /nfs/dbraw/zinc/90/08/28/1045900828.db2.gz PLHVLCOJLVQTGO-QAPCUYQASA-N 0 0 341.407 4.003 10 0 EIAERN Cc1cccc(S(=O)(=O)Cc2ncc(-c3ccccc3Cl)o2)c1 ZINC000078796541 1046130883 /nfs/dbraw/zinc/13/08/83/1046130883.db2.gz IUZALWZQNNFVOR-UHFFFAOYSA-N 0 0 347.823 4.277 10 0 EIAERN CCOc1c(F)cccc1C(=O)N1CCC(c2nc(C)cs2)CC1 ZINC000079925469 1046346603 /nfs/dbraw/zinc/34/66/03/1046346603.db2.gz WHGMNXAJIFNLDC-UHFFFAOYSA-N 0 0 348.443 4.009 10 0 EIAERN CNc1ccc(Cl)cc1C(=O)Nc1ccccc1Br ZINC000050728447 214068546 /nfs/dbraw/zinc/06/85/46/214068546.db2.gz VIZLFFQPDUCDDY-UHFFFAOYSA-N 0 0 339.620 4.397 10 0 EIAERN CCN[C@@H](c1ccc(CC)o1)c1cc(F)ccc1Br ZINC000051727996 214101961 /nfs/dbraw/zinc/10/19/61/214101961.db2.gz PJHGTKPATNUIGA-OAHLLOKOSA-N 0 0 326.209 4.443 10 0 EIAERN CC(C)n1cc(Br)cc1C(=O)N1CC[C@H](C)C[C@H]1C ZINC000051734361 214102768 /nfs/dbraw/zinc/10/27/68/214102768.db2.gz SCUHEGCQBNDRIG-NWDGAFQWSA-N 0 0 327.266 4.092 10 0 EIAERN Cc1ccc([C@@H](O)Cc2ccc(Br)cc2F)cc1F ZINC000053784474 214197862 /nfs/dbraw/zinc/19/78/62/214197862.db2.gz UTNNSIQPVMTCAK-HNNXBMFYSA-N 0 0 327.168 4.312 10 0 EIAERN COCc1cc(Cl)nc(Nc2ccc(C)cc2Br)n1 ZINC000057343546 214420012 /nfs/dbraw/zinc/42/00/12/214420012.db2.gz STQBEEJBTDCPAC-UHFFFAOYSA-N 0 0 342.624 4.091 10 0 EIAERN C[C@H](Nc1ncc(Br)cc1N)c1cccc(Cl)c1 ZINC000049515334 214013672 /nfs/dbraw/zinc/01/36/72/214013672.db2.gz INZKVAVMIBKXBY-QMMMGPOBSA-N 0 0 326.625 4.253 10 0 EIAERN CC(C)(C)[S@](=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000098095562 219083033 /nfs/dbraw/zinc/08/30/33/219083033.db2.gz MPLDQKWWOQENQW-WVDJIFEKSA-N 0 0 331.762 4.134 10 0 EIAERN COc1ccc(C(=O)Nc2oc3ccccc3c2Br)cc1 ZINC000098177770 219086364 /nfs/dbraw/zinc/08/63/64/219086364.db2.gz DJSSRPRBAANGHG-UHFFFAOYSA-N 0 0 346.180 4.456 10 0 EIAERN COc1ccc2nc(-c3nnc(-c4ccccc4)o3)nc(Cl)c2c1 ZINC000049455135 214009465 /nfs/dbraw/zinc/00/94/65/214009465.db2.gz IKRFZJROTCBRSV-UHFFFAOYSA-N 0 0 338.754 4.009 10 0 EIAERN Nc1ccc(Oc2ccc(Br)cn2)c(C(F)(F)F)c1 ZINC000048786891 213964458 /nfs/dbraw/zinc/96/44/58/213964458.db2.gz SLSMSXSWGHEDNO-UHFFFAOYSA-N 0 0 333.107 4.237 10 0 EIAERN Cc1cccc(-c2nccc([C@@H]3CCCN(C(=O)C(C)(C)C)C3)n2)c1 ZINC000065135404 214831536 /nfs/dbraw/zinc/83/15/36/214831536.db2.gz DQDGNIISAAAKRG-QGZVFWFLSA-N 0 0 337.467 4.204 10 0 EIAERN CCc1ccc([C@@H](C)NC(=O)Nc2cc(NC(C)=O)ccc2C)cc1 ZINC000048270932 213907230 /nfs/dbraw/zinc/90/72/30/213907230.db2.gz DIFPUUKITCKGMG-CQSZACIVSA-N 0 0 339.439 4.399 10 0 EIAERN CCCCOc1c(OC)cc(C=O)cc1Oc1cccc(OC)c1 ZINC000004227239 210148866 /nfs/dbraw/zinc/14/88/66/210148866.db2.gz HJZHSAGIIWROKE-UHFFFAOYSA-N 0 0 330.380 4.488 10 0 EIAERN CC(C)(C)c1ccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)[O-])cc1 ZINC000067173481 215120586 /nfs/dbraw/zinc/12/05/86/215120586.db2.gz UZAPKCBWKCVJLM-UXHICEINSA-N 0 0 337.463 4.284 10 0 EIAERN CCCCC[C@H](Nc1ccccc1Br)C(=O)OCC ZINC000104174496 219355494 /nfs/dbraw/zinc/35/54/94/219355494.db2.gz QVKXDRHVKPXQKR-AWEZNQCLSA-N 0 0 328.250 4.373 10 0 EIAERN Cc1ccc(C(N)=S)c(Nc2ccc(C)c(Br)c2)c1 ZINC000104176530 219356017 /nfs/dbraw/zinc/35/60/17/219356017.db2.gz ZGDLKBXQZBQFIS-UHFFFAOYSA-N 0 0 335.270 4.444 10 0 EIAERN CCC[C@@H](C)COc1c(Br)cc(C=O)cc1OCC ZINC000104184308 219356876 /nfs/dbraw/zinc/35/68/76/219356876.db2.gz RTJIFYKZPOBYDL-LLVKDONJSA-N 0 0 329.234 4.475 10 0 EIAERN Cc1c(Cl)ncnc1N[C@@H](C)c1cccc(Br)c1 ZINC000104221397 219361619 /nfs/dbraw/zinc/36/16/19/219361619.db2.gz UYXQRGXZIXAPFJ-VIFPVBQESA-N 0 0 326.625 4.374 10 0 EIAERN Cc1ccc(Nc2ccc(F)cc2C(N)=S)c(Br)c1 ZINC000104242775 219364521 /nfs/dbraw/zinc/36/45/21/219364521.db2.gz OEEZHYSMBNQEDL-UHFFFAOYSA-N 0 0 339.233 4.274 10 0 EIAERN CSc1nn2c(C)c(-c3ccc(Br)cc3)nc2s1 ZINC000040965015 213404438 /nfs/dbraw/zinc/40/44/38/213404438.db2.gz PVXLYEOPJLSIIZ-UHFFFAOYSA-N 0 0 340.271 4.251 10 0 EIAERN COc1ccc([C@H](O)c2sccc2Br)cc1Cl ZINC000104284531 219369655 /nfs/dbraw/zinc/36/96/55/219369655.db2.gz QCHCYECAVBKJTH-NSHDSACASA-N 0 0 333.634 4.254 10 0 EIAERN Cc1cccc(C(=O)Nc2ccc(C)c(C(=O)Nc3cccnc3)c2)c1 ZINC000040895500 213398595 /nfs/dbraw/zinc/39/85/95/213398595.db2.gz RNGSSJVFTLSFGU-UHFFFAOYSA-N 0 0 345.402 4.203 10 0 EIAERN Nc1c(Nc2ccccn2)ncnc1Nc1cc(Cl)ccc1Cl ZINC000040778112 213385888 /nfs/dbraw/zinc/38/58/88/213385888.db2.gz HHKHFMCVIAKNLK-UHFFFAOYSA-N 0 0 347.209 4.248 10 0 EIAERN CCOc1ccc(Nc2ncnc(Nc3ccc(C)cc3)c2N)cc1 ZINC000040782025 213385679 /nfs/dbraw/zinc/38/56/79/213385679.db2.gz FOSRKGDCVJNOPB-UHFFFAOYSA-N 0 0 335.411 4.253 10 0 EIAERN Cc1ccc(Nc2ncnc(Nc3ccc(F)cc3F)c2N)cc1 ZINC000040782094 213387206 /nfs/dbraw/zinc/38/72/06/213387206.db2.gz CEQMVVWLQVGUIT-UHFFFAOYSA-N 0 0 327.338 4.133 10 0 EIAERN CC(C)Oc1ncnc(NC(c2ccccc2)c2ccccc2)c1N ZINC000040783680 213386754 /nfs/dbraw/zinc/38/67/54/213386754.db2.gz QGEHLVDUYHXWRB-UHFFFAOYSA-N 0 0 334.423 4.048 10 0 EIAERN Nc1c(NCc2ccc(Cl)cc2)ncnc1Nc1ccc(F)cc1 ZINC000040782460 213386565 /nfs/dbraw/zinc/38/65/65/213386565.db2.gz LEULCOULHOGDNI-UHFFFAOYSA-N 0 0 343.793 4.207 10 0 EIAERN Nc1c(Nc2ccccc2)ncnc1NC12CC3CC(CC(C3)C1)C2 ZINC000040755680 213383841 /nfs/dbraw/zinc/38/38/41/213383841.db2.gz ZJTUCFYPDATTGX-UHFFFAOYSA-N 0 0 335.455 4.183 10 0 EIAERN Cc1ccc(Nc2ncnc(Nc3ccc(Cl)cn3)c2N)c(C)c1 ZINC000040755370 213383681 /nfs/dbraw/zinc/38/36/81/213383681.db2.gz WSILWENFQYRUQE-UHFFFAOYSA-N 0 0 340.818 4.211 10 0 EIAERN Cc1ccc(Nc2ncnc(Nc3cccc4ccccc43)c2N)nc1 ZINC000040759012 213383168 /nfs/dbraw/zinc/38/31/68/213383168.db2.gz CHKPBKONYMCTTK-UHFFFAOYSA-N 0 0 342.406 4.403 10 0 EIAERN Cc1cccc(Nc2ncnc(Nc3ccc(F)cc3F)c2N)c1C ZINC000040755242 213383194 /nfs/dbraw/zinc/38/31/94/213383194.db2.gz HXXLPKXXBFWBHE-UHFFFAOYSA-N 0 0 341.365 4.441 10 0 EIAERN Cc1ccc(Nc2ncnc(Nc3ccc(F)cc3F)c2N)c(C)c1 ZINC000040755544 213382656 /nfs/dbraw/zinc/38/26/56/213382656.db2.gz RCMVRELOAGFJNL-UHFFFAOYSA-N 0 0 341.365 4.441 10 0 EIAERN Cc1ccccc1Nc1ncnc(Oc2cccc3cccnc32)c1N ZINC000040752135 213382282 /nfs/dbraw/zinc/38/22/82/213382282.db2.gz MLOLDMFJERLDAW-UHFFFAOYSA-N 0 0 343.390 4.451 10 0 EIAERN Cc1ccc2cccc(Oc3ncnc(NCCC(C)C)c3N)c2n1 ZINC000040752360 213382443 /nfs/dbraw/zinc/38/24/43/213382443.db2.gz FWEJPDOVWLGDNH-UHFFFAOYSA-N 0 0 337.427 4.166 10 0 EIAERN Nc1c(NCc2ccccc2)ncnc1NC12CC3CC(CC(C3)C1)C2 ZINC000040709253 213373538 /nfs/dbraw/zinc/37/35/38/213373538.db2.gz RMLIKYHDIJRSAU-UHFFFAOYSA-N 0 0 349.482 4.052 10 0 EIAERN Cc1ccnc(Nc2ncnc(Oc3ccc(Cl)c(C)c3)c2N)c1 ZINC000040701420 213371542 /nfs/dbraw/zinc/37/15/42/213371542.db2.gz GVBXXEGSOMNAFN-UHFFFAOYSA-N 0 0 341.802 4.260 10 0 EIAERN CCc1ccc(Nc2ncnc(Nc3cc(F)ccc3F)c2N)cc1 ZINC000040688569 213369838 /nfs/dbraw/zinc/36/98/38/213369838.db2.gz NMCKCPSITDXYOS-UHFFFAOYSA-N 0 0 341.365 4.387 10 0 EIAERN COc1ccc(C)cc1Nc1ncnc(Nc2ccc(F)cc2)c1N ZINC000040684349 213369328 /nfs/dbraw/zinc/36/93/28/213369328.db2.gz JGPRIUGCOSJUEQ-UHFFFAOYSA-N 0 0 339.374 4.002 10 0 EIAERN COc1ccc(Cl)cc1Nc1ncnc(Nc2ccccc2)c1N ZINC000040702419 213371780 /nfs/dbraw/zinc/37/17/80/213371780.db2.gz HEHYOTRPHCDVEH-UHFFFAOYSA-N 0 0 341.802 4.208 10 0 EIAERN Cc1cc(C)cc(Oc2ncnc(NCc3ccc(F)cc3)c2N)c1 ZINC000040681606 213368374 /nfs/dbraw/zinc/36/83/74/213368374.db2.gz ITCBALHDVCRNMY-UHFFFAOYSA-N 0 0 338.386 4.219 10 0 EIAERN Cc1cc(C)cc(Oc2ncnc(Nc3cc(F)ccc3F)c2N)c1 ZINC000040681608 213368517 /nfs/dbraw/zinc/36/85/17/213368517.db2.gz JTYRIQJAPGDPPT-UHFFFAOYSA-N 0 0 342.349 4.490 10 0 EIAERN Cc1cc(C)cc(Nc2ncnc(Nc3ccc(F)cc3F)c2N)c1 ZINC000040682206 213368236 /nfs/dbraw/zinc/36/82/36/213368236.db2.gz YWJDRTANCDHGSE-UHFFFAOYSA-N 0 0 341.365 4.441 10 0 EIAERN CC(C)(C)Nc1ncnc(Nc2cccc(Cl)c2Cl)c1N ZINC000040680567 213368089 /nfs/dbraw/zinc/36/80/89/213368089.db2.gz XMJQXXJVJCSJSI-UHFFFAOYSA-N 0 0 326.231 4.320 10 0 EIAERN CCn1nc(Cc2ccc(Cl)cc2Cl)c2ccccc2c1=O ZINC000040564350 213351499 /nfs/dbraw/zinc/35/14/99/213351499.db2.gz PSENTHMMMDGYHY-UHFFFAOYSA-N 0 0 333.218 4.314 10 0 EIAERN CCOC(=O)c1cc(CC)sc1NC(=O)/C=C/c1ccc(C)cc1 ZINC000001946053 209807525 /nfs/dbraw/zinc/80/75/25/209807525.db2.gz XQVUEUKMZAMWNV-ZHACJKMWSA-N 0 0 343.448 4.448 10 0 EIAERN CC[C@H](C)c1csc(N(C)C(=O)c2ccc3c(c2)OCCCO3)n1 ZINC000069386046 215396561 /nfs/dbraw/zinc/39/65/61/215396561.db2.gz OXSOFCZROUYVQO-LBPRGKRZSA-N 0 0 346.452 4.095 10 0 EIAERN Cc1cccc(NC(=O)c2cnc3c(C)c(Cl)ccc3c2O)c1C ZINC000040359389 213293172 /nfs/dbraw/zinc/29/31/72/213293172.db2.gz AUZMWQVMWNMREQ-UHFFFAOYSA-N 0 0 340.810 4.359 10 0 EIAERN Cc1c(Cl)ccc2c(O)c(C(=O)Nc3ccccc3Cl)cnc12 ZINC000040359357 213293298 /nfs/dbraw/zinc/29/32/98/213293298.db2.gz WGEGQKDDJKQGSC-UHFFFAOYSA-N 0 0 347.201 4.396 10 0 EIAERN CCOc1ccc(NC(=O)Cn2c3ccccc3nc2C(C)C)cc1 ZINC000040295662 213290180 /nfs/dbraw/zinc/29/01/80/213290180.db2.gz ZFBLLJUDEVUZDZ-UHFFFAOYSA-N 0 0 337.423 4.197 10 0 EIAERN CCC(=O)NCc1nc2ccccc2n1Cc1ccc(C(C)(C)C)cc1 ZINC000040274394 213287213 /nfs/dbraw/zinc/28/72/13/213287213.db2.gz XAQUDHJVKSTJOF-UHFFFAOYSA-N 0 0 349.478 4.408 10 0 EIAERN Cc1ccc(-c2nc3ccccc3n2CC(=O)N2CCCCC2)cc1 ZINC000040249371 213285282 /nfs/dbraw/zinc/28/52/82/213285282.db2.gz XJWHMZQJWFLYTR-UHFFFAOYSA-N 0 0 333.435 4.024 10 0 EIAERN Cc1ccccc1-c1nc2ccccc2n1CC(=O)N1CCC(C)CC1 ZINC000040239576 213284748 /nfs/dbraw/zinc/28/47/48/213284748.db2.gz ZSFIHYBTJSKQPB-UHFFFAOYSA-N 0 0 347.462 4.270 10 0 EIAERN Cc1cccc(-c2nc3ccccc3n2CC(=O)N2CCCCCC2)c1 ZINC000040239702 213284776 /nfs/dbraw/zinc/28/47/76/213284776.db2.gz KNNSNCQRSAXBIP-UHFFFAOYSA-N 0 0 347.462 4.414 10 0 EIAERN O=c1ccc2c(ccn2Cc2cccc(Cl)c2)n1-c1ccccc1 ZINC000038493287 213211470 /nfs/dbraw/zinc/21/14/70/213211470.db2.gz TZGNHBVEWXDNGN-UHFFFAOYSA-N 0 0 334.806 4.494 10 0 EIAERN COc1cccc(CON2C(=O)CS[C@@H]2c2ccc(C)c(C)c2)c1 ZINC000038149953 213203611 /nfs/dbraw/zinc/20/36/11/213203611.db2.gz TWHRIRGWGPNMHN-LJQANCHMSA-N 0 0 343.448 4.018 10 0 EIAERN COc1ccc(-c2nc(C)c(C)c(Cl)n2)cc1Br ZINC000038052456 213198819 /nfs/dbraw/zinc/19/88/19/213198819.db2.gz NHJBWXWAHDMLNC-UHFFFAOYSA-N 0 0 327.609 4.185 10 0 EIAERN C[C@H](NC(=O)c1cnc(Cl)c(Cl)c1)c1cc(F)ccc1F ZINC000037983710 213181874 /nfs/dbraw/zinc/18/18/74/213181874.db2.gz KWWNLHSJHWJTSL-ZETCQYMHSA-N 0 0 331.149 4.158 10 0 EIAERN COC(=O)[C@](C)(NC1CCCC1)c1cc(F)c(Cl)cc1Cl ZINC000037970389 213177591 /nfs/dbraw/zinc/17/75/91/213177591.db2.gz RNIDBPQWZUGWND-OAHLLOKOSA-N 0 0 334.218 4.053 10 0 EIAERN CCc1ncc(CN[C@@H](C)c2ccccc2Br)s1 ZINC000037924141 213173380 /nfs/dbraw/zinc/17/33/80/213173380.db2.gz UDRLVDMGOGLUBS-JTQLQIEISA-N 0 0 325.275 4.319 10 0 EIAERN CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)c1ccccc1Br)C2 ZINC000037493263 213149452 /nfs/dbraw/zinc/14/94/52/213149452.db2.gz MRGOTFASTSIMCQ-ZLENFMNRSA-N 0 0 336.273 4.394 10 0 EIAERN Cc1ccc(NC(=O)c2ccc(Br)cc2Cl)cc1N ZINC000037366558 213141964 /nfs/dbraw/zinc/14/19/64/213141964.db2.gz MKUFCIDBIGJZBE-UHFFFAOYSA-N 0 0 339.620 4.245 10 0 EIAERN C[C@H](CC(=O)Nc1ccc(N)cc1Br)CC(C)(C)C ZINC000036738428 213115014 /nfs/dbraw/zinc/11/50/14/213115014.db2.gz GHNSWXBEDGGSED-SNVBAGLBSA-N 0 0 327.266 4.432 10 0 EIAERN Cc1c(C(=O)Oc2ccccc2C)nnn1-c1cccc(Cl)c1C ZINC000036639103 213106494 /nfs/dbraw/zinc/10/64/94/213106494.db2.gz SMFIKVOBKYLKSI-UHFFFAOYSA-N 0 0 341.798 4.065 10 0 EIAERN CC[C@@H](C)NC(=O)c1csc(COc2ccc(Cl)c(C)c2)n1 ZINC000036084325 213061760 /nfs/dbraw/zinc/06/17/60/213061760.db2.gz BMWGZRPYGMIHEO-LLVKDONJSA-N 0 0 338.860 4.212 10 0 EIAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000036047997 213058319 /nfs/dbraw/zinc/05/83/19/213058319.db2.gz NENIAMBRUAOAOF-AWEZNQCLSA-N 0 0 339.439 4.133 10 0 EIAERN O=c1c2ccsc2[nH]c(=S)n1-c1cccc(Cl)c1Cl ZINC000035698468 213047717 /nfs/dbraw/zinc/04/77/17/213047717.db2.gz FQNRBHKUPZLKQN-UHFFFAOYSA-N 0 0 329.233 4.417 10 0 EIAERN C[C@@H](O)c1ccc(Oc2ccccc2I)cc1 ZINC000035632628 213044138 /nfs/dbraw/zinc/04/41/38/213044138.db2.gz KBLZFUNJURBSJX-SNVBAGLBSA-N 0 0 340.160 4.137 10 0 EIAERN O=C(COc1ccc2c(c1)CCC2)c1ccc(Br)s1 ZINC000035181752 213013072 /nfs/dbraw/zinc/01/30/72/213013072.db2.gz OFOXMSCCVGTUEF-UHFFFAOYSA-N 0 0 337.238 4.261 10 0 EIAERN O=C(Cc1nc2ccccc2o1)c1ccc(F)cc1Br ZINC000034940255 213002213 /nfs/dbraw/zinc/00/22/13/213002213.db2.gz JZSINIQKIKIBEF-UHFFFAOYSA-N 0 0 334.144 4.155 10 0 EIAERN CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)C(C)(C)C)c(Cl)n1 ZINC000071791841 215827656 /nfs/dbraw/zinc/82/76/56/215827656.db2.gz HOAKRSDLZPKNAQ-UHFFFAOYSA-N 0 0 341.839 4.091 10 0 EIAERN Brc1csc2cc(I)sc12 ZINC000072188054 216068017 /nfs/dbraw/zinc/06/80/17/216068017.db2.gz GBRLQMFEFHQQHF-UHFFFAOYSA-N 0 0 345.024 4.330 10 0 EIAERN Fc1cccc(-c2nc(Br)c(Br)s2)c1 ZINC000072192878 216068561 /nfs/dbraw/zinc/06/85/61/216068561.db2.gz NNVRDDLLUGNKAT-UHFFFAOYSA-N 0 0 337.011 4.474 10 0 EIAERN Fc1ccccc1-c1nc(Br)c(Br)s1 ZINC000072192876 216068590 /nfs/dbraw/zinc/06/85/90/216068590.db2.gz MYLPDQDCMDLBNH-UHFFFAOYSA-N 0 0 337.011 4.474 10 0 EIAERN Cc1ccc(Nc2nc(N3C[C@H](C)O[C@@H](C)C3)nc3ccccc32)cc1 ZINC000072260476 216086137 /nfs/dbraw/zinc/08/61/37/216086137.db2.gz VEDDTGRGYWATMD-HOTGVXAUSA-N 0 0 348.450 4.295 10 0 EIAERN Clc1ccc([C@H]2C[C@H](c3ccccc3)Nc3nnnn32)c(Cl)c1 ZINC000000113710 209428839 /nfs/dbraw/zinc/42/88/39/209428839.db2.gz XJEPAZKIPDLVHM-HUUCEWRRSA-N 0 0 346.221 4.126 10 0 EIAERN CC(C)C[C@H](C)N(C)C(=O)c1cc(Br)cn1C(C)C ZINC000037845156 213169815 /nfs/dbraw/zinc/16/98/15/213169815.db2.gz FIJRUTMQEOJFFB-LBPRGKRZSA-N 0 0 329.282 4.338 10 0 EIAERN Cc1ccc(-c2ccc(C(=O)Nc3ccc(C)c(C)c3)c(=O)[nH]2)cc1 ZINC000072451046 216239055 /nfs/dbraw/zinc/23/90/55/216239055.db2.gz GYLXTWPHCMXBHS-UHFFFAOYSA-N 0 0 332.403 4.219 10 0 EIAERN Cc1ccccc1Nc1nc2nccc(-c3ccccc3)c2c(=O)[nH]1 ZINC000072440020 216234411 /nfs/dbraw/zinc/23/44/11/216234411.db2.gz OZCVXVOGBLQCGB-UHFFFAOYSA-N 0 0 328.375 4.037 10 0 EIAERN CSc1ccc(-c2ccnc(N3CCc4ccccc4C3)n2)cc1 ZINC000072443397 216235939 /nfs/dbraw/zinc/23/59/39/216235939.db2.gz BSFPQBLQXGCGAW-UHFFFAOYSA-N 0 0 333.460 4.428 10 0 EIAERN CC(=O)N(Cc1ccccc1)[C@H](C(=S)NC1CCCCC1)C(C)C ZINC000022130337 212278346 /nfs/dbraw/zinc/27/83/46/212278346.db2.gz MUPZBSATNXPYNN-IBGZPJMESA-N 0 0 346.540 4.309 10 0 EIAERN Nc1ccc(NC(=O)c2cc(F)ccc2Br)c(Cl)c1 ZINC000022143344 212279378 /nfs/dbraw/zinc/27/93/78/212279378.db2.gz QYCXIFNVMANBJB-UHFFFAOYSA-N 0 0 343.583 4.076 10 0 EIAERN C[Si](C)(C)CCOCn1ncc2ccc(Br)cc21 ZINC000204112253 241041711 /nfs/dbraw/zinc/04/17/11/241041711.db2.gz RPTUTKUGFWIUAQ-UHFFFAOYSA-N 0 0 327.298 4.111 10 0 EIAERN C[Si](C)(C)CCOCn1ncc2c1cccc2Br ZINC000204182380 241043435 /nfs/dbraw/zinc/04/34/35/241043435.db2.gz DJUKVTWIAWEOER-UHFFFAOYSA-N 0 0 327.298 4.111 10 0 EIAERN COc1c(Cl)cc(Cl)cc1C(=O)Nc1c(C)cc(C)cc1N ZINC000226349736 242100020 /nfs/dbraw/zinc/10/00/20/242100020.db2.gz HMYTVCWJMKCZKA-UHFFFAOYSA-N 0 0 339.222 4.453 10 0 EIAERN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(Cl)cc2N)c1 ZINC000226358824 242101676 /nfs/dbraw/zinc/10/16/76/242101676.db2.gz CAYBFMJUOSEPDF-UHFFFAOYSA-N 0 0 332.831 4.372 10 0 EIAERN Cc1ccc(C(C)C)c(OCC(=O)Nc2c(N)cccc2Cl)c1 ZINC000226359084 242102383 /nfs/dbraw/zinc/10/23/83/242102383.db2.gz WTKRMFOUXFBEHS-UHFFFAOYSA-N 0 0 332.831 4.372 10 0 EIAERN Cc1cc(NC(=O)C(F)(F)F)cc2nc(-c3ccc(F)cc3)oc21 ZINC000226270712 242093100 /nfs/dbraw/zinc/09/31/00/242093100.db2.gz FNPSKQKTXJYZOV-UHFFFAOYSA-N 0 0 338.260 4.443 10 0 EIAERN CCCC(=O)Nc1ccc(N2Cc3ccccc3C2=O)cc1Cl ZINC000226287413 242095180 /nfs/dbraw/zinc/09/51/80/242095180.db2.gz SHTUXEIUBANSRZ-UHFFFAOYSA-N 0 0 328.799 4.239 10 0 EIAERN Nc1nc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2s1 ZINC000226310663 242096256 /nfs/dbraw/zinc/09/62/56/242096256.db2.gz QHXJFTLZFZGIIF-UHFFFAOYSA-N 0 0 338.219 4.438 10 0 EIAERN CCOc1ccc(C(=O)Nc2cc3sc(N)nc3c(Cl)c2)cc1 ZINC000226311374 242096435 /nfs/dbraw/zinc/09/64/35/242096435.db2.gz HDLUORMMMJWYQP-UHFFFAOYSA-N 0 0 347.827 4.183 10 0 EIAERN CCOc1cc(C(N)=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000226318506 242097768 /nfs/dbraw/zinc/09/77/68/242097768.db2.gz QRZJNTUTKIRJII-UHFFFAOYSA-N 0 0 340.206 4.070 10 0 EIAERN O=c1c2ccc[nH]c-2c(Nc2ccccc2Cl)n1Cc1ccco1 ZINC000021104940 212207264 /nfs/dbraw/zinc/20/72/64/212207264.db2.gz JAAQJSGHCYILTH-QGZVFWFLSA-N 0 0 339.782 4.095 10 0 EIAERN Cc1cc(C)c(Nc2c3[nH]cccc-3c(=O)n2Cc2ccco2)c(C)c1 ZINC000021105134 212206972 /nfs/dbraw/zinc/20/69/72/212206972.db2.gz MAMMJQNSLFQYRB-HXUWFJFHSA-N 0 0 347.418 4.367 10 0 EIAERN O=C(Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1)c1ccccc1 ZINC000021126655 212210537 /nfs/dbraw/zinc/21/05/37/212210537.db2.gz IDVDCFLVRHMYHZ-UHFFFAOYSA-N 0 0 342.354 4.107 10 0 EIAERN CC(C)(C)C(=O)Nc1ccc(C(=O)NCc2ccccc2Cl)cc1 ZINC000021024774 212200918 /nfs/dbraw/zinc/20/09/18/212200918.db2.gz VEBFHWRFWCTMLK-UHFFFAOYSA-N 0 0 344.842 4.255 10 0 EIAERN O=C(NCc1ccccc1F)c1ccccc1NCc1ccccc1 ZINC000255190139 244048238 /nfs/dbraw/zinc/04/82/38/244048238.db2.gz VEVIHVPHNSSYSU-UHFFFAOYSA-N 0 0 334.394 4.368 10 0 EIAERN CCc1sc2ncnc(N)c2c1-c1ccc(Br)cc1 ZINC000020321064 212118730 /nfs/dbraw/zinc/11/87/30/212118730.db2.gz NQGXQXBUYAHARO-UHFFFAOYSA-N 0 0 334.242 4.265 10 0 EIAERN COc1ccc(COc2ccc(C)cc2Br)cc1OC ZINC000020077672 212099607 /nfs/dbraw/zinc/09/96/07/212099607.db2.gz WUDBDXZFUYHDFD-UHFFFAOYSA-N 0 0 337.213 4.354 10 0 EIAERN Cc1ccc(NCC(=O)Nc2cccc(Br)c2)cc1C ZINC000020050889 212098165 /nfs/dbraw/zinc/09/81/65/212098165.db2.gz HRAADUCOCJJEQM-UHFFFAOYSA-N 0 0 333.229 4.117 10 0 EIAERN COc1c(C)cnc(CNc2ccc(C)cc2Br)c1C ZINC000020039978 212096321 /nfs/dbraw/zinc/09/63/21/212096321.db2.gz UUTJRHNXDJVHNL-UHFFFAOYSA-N 0 0 335.245 4.390 10 0 EIAERN C[C@H](Nc1ccccc1Br)c1ccc2c(c1)OCCO2 ZINC000019922735 212084663 /nfs/dbraw/zinc/08/46/63/212084663.db2.gz LHDVJDHZIPFODO-NSHDSACASA-N 0 0 334.213 4.393 10 0 EIAERN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)c1ccc(Br)cc1F ZINC000019806827 212070765 /nfs/dbraw/zinc/07/07/65/212070765.db2.gz OJOVPJZQHQLDIZ-RBZYPMLTSA-N 0 0 328.225 4.143 10 0 EIAERN NC(=S)CCN(Cc1ccc(Br)cc1)c1ccccc1 ZINC000019805357 212070779 /nfs/dbraw/zinc/07/07/79/212070779.db2.gz QNDWBBUWBWGIJP-UHFFFAOYSA-N 0 0 349.297 4.132 10 0 EIAERN Cc1cc(Br)ccc1NC(=O)c1ccc(Cl)cc1N ZINC000019425905 212027578 /nfs/dbraw/zinc/02/75/78/212027578.db2.gz PYLLJCNEVGXXQO-UHFFFAOYSA-N 0 0 339.620 4.245 10 0 EIAERN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)c1cc(F)ccc1Br ZINC000019423130 212027314 /nfs/dbraw/zinc/02/73/14/212027314.db2.gz AJIUECQPOZESDQ-RBZYPMLTSA-N 0 0 328.225 4.143 10 0 EIAERN Cc1nc(CNc2nc3cc(Br)ccc3s2)cs1 ZINC000049534234 214015207 /nfs/dbraw/zinc/01/52/07/214015207.db2.gz DTQNWWWEJSNJHV-UHFFFAOYSA-N 0 0 340.271 4.436 10 0 EIAERN Cc1nc(C)c([C@H](C)Nc2ccc(Br)cc2N)s1 ZINC000049533706 214015287 /nfs/dbraw/zinc/01/52/87/214015287.db2.gz CJAOBTYZPBWDGL-QMMMGPOBSA-N 0 0 326.263 4.278 10 0 EIAERN CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1cc(F)c(F)c(F)c1 ZINC000078483418 217061321 /nfs/dbraw/zinc/06/13/21/217061321.db2.gz HDWOBDTTZUJLNF-MRXNPFEDSA-N 0 0 349.352 4.096 10 0 EIAERN O=C1Nc2cc(Br)ccc2/C1=C\c1cc2c([nH]1)CCCC2 ZINC000078634664 217091614 /nfs/dbraw/zinc/09/16/14/217091614.db2.gz GTHBLVVCPDXRRZ-NTEUORMPSA-N 0 0 343.224 4.149 10 0 EIAERN CC(C)[C@H](C)NC(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000078802126 217125392 /nfs/dbraw/zinc/12/53/92/217125392.db2.gz ZPGLXHLCWXJIIZ-NSHDSACASA-N 0 0 340.349 4.057 10 0 EIAERN CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000014904357 211772074 /nfs/dbraw/zinc/77/20/74/211772074.db2.gz HQWPPVLSHLFTDY-HGUQNLGYSA-N 0 0 329.484 4.180 10 0 in-vitro EIAERN CCc1ccc(O[C@@H](C)C(=O)Nc2cccc(Br)c2)cc1 ZINC000014553033 211745104 /nfs/dbraw/zinc/74/51/04/211745104.db2.gz JLMUQMQZGKGYMR-LBPRGKRZSA-N 0 0 348.240 4.418 10 0 EIAERN CS(=O)(=O)c1ccc(-c2ccc3ccn(-c4ccccc4)c3n2)cc1 ZINC000013979842 211662561 /nfs/dbraw/zinc/66/25/61/211662561.db2.gz KAGKTGPDANBPGU-UHFFFAOYSA-N 0 0 348.427 4.096 10 0 EIAERN CCOC(=O)c1cc2c(cnn2-c2ccccc2)c(-c2ccccc2)n1 ZINC000089220238 217775202 /nfs/dbraw/zinc/77/52/02/217775202.db2.gz GYUHYGLYHPSRSO-UHFFFAOYSA-N 0 0 343.386 4.264 10 0 EIAERN COC(=O)c1sc2ncnc(Nc3ccc(C)c(C)c3)c2c1C ZINC000012084641 211287366 /nfs/dbraw/zinc/28/73/66/211287366.db2.gz YKYDGCFHUCNBPK-UHFFFAOYSA-N 0 0 327.409 4.147 10 0 EIAERN CCOc1cc(C=O)ccc1Oc1cc(-c2ccccc2)nc(C)n1 ZINC000011849524 211258400 /nfs/dbraw/zinc/25/84/00/211258400.db2.gz IJAZJVDUSSKQSU-UHFFFAOYSA-N 0 0 334.375 4.456 10 0 EIAERN OC[C@@H](c1c2c(nn1-c1ccc(F)cc1)CCC2)C1CCCCC1 ZINC000091691113 218048289 /nfs/dbraw/zinc/04/82/89/218048289.db2.gz OMZVDFZOZYWUPN-GOSISDBHSA-N 0 0 328.431 4.156 10 0 EIAERN COc1cc2nc(Cl)nc(Nc3ccc(C)cc3)c2cc1OC ZINC000011756195 211244596 /nfs/dbraw/zinc/24/45/96/211244596.db2.gz VBFXQIVTEKYBPS-UHFFFAOYSA-N 0 0 329.787 4.352 10 0 EIAERN COc1cccc(-c2cc(-c3cccs3)c3c(N)ncnc3n2)c1 ZINC000009694625 211116132 /nfs/dbraw/zinc/11/61/32/211116132.db2.gz MHNWNFWNORDGIN-UHFFFAOYSA-N 0 0 334.404 4.011 10 0 EIAERN CC(C)(C)OC(=O)N1CCC(CCCOCc2ccncc2)CC1 ZINC000095083738 218275966 /nfs/dbraw/zinc/27/59/66/218275966.db2.gz DTUIDQAUTDMMNU-UHFFFAOYSA-N 0 0 334.460 4.026 10 0 EIAERN CC(C)(C)OC(=O)N1CCC[C@H](CCCOCc2cccnc2)C1 ZINC000095085092 218276406 /nfs/dbraw/zinc/27/64/06/218276406.db2.gz BKPJTDDSENOYEV-MRXNPFEDSA-N 0 0 334.460 4.026 10 0 EIAERN CC(C)(C)OC(=O)N1CCC[C@H](CNc2nsc3ccccc32)C1 ZINC000095085322 218276482 /nfs/dbraw/zinc/27/64/82/218276482.db2.gz WBYQEUYXKNRYRA-CYBMUJFWSA-N 0 0 347.484 4.355 10 0 EIAERN CC(C)(C)OC(=O)N1CCC[C@H](CCOc2nc3ccccc3o2)C1 ZINC000095085172 218276652 /nfs/dbraw/zinc/27/66/52/218276652.db2.gz ZNBFLSHXNBERBQ-CQSZACIVSA-N 0 0 346.427 4.244 10 0 EIAERN CC(C)(C)Oc1cccc(OC2CC2)c1I ZINC000095722425 218446969 /nfs/dbraw/zinc/44/69/69/218446969.db2.gz HSAFHBUMRWTJTI-UHFFFAOYSA-N 0 0 332.181 4.010 10 0 EIAERN O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)N1CCCC1 ZINC000007159746 210764562 /nfs/dbraw/zinc/76/45/62/210764562.db2.gz JTEHJYTYCPNQHA-UHFFFAOYSA-N 0 0 339.479 4.156 10 0 EIAERN COc1ccc2c(c1)nc(C(F)(F)F)nc2NC1CCCCC1 ZINC000005610459 210501109 /nfs/dbraw/zinc/50/11/09/210501109.db2.gz HPTDOOZBRBRBAK-UHFFFAOYSA-N 0 0 325.334 4.402 10 0 EIAERN COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cccnc12 ZINC000000007607 208549103 /nfs/dbraw/zinc/54/91/03/208549103.db2.gz UBYNBZKQYLBKFN-UHFFFAOYSA-N 0 0 348.189 4.198 10 0 EIAERN COc1ccccc1/C=C/c1nnc([C@H]2CCO[C@@H]2C(C)(C)C)o1 ZINC000299747491 258008091 /nfs/dbraw/zinc/00/80/91/258008091.db2.gz DEASHFLQTVFGEP-KBWBKQHASA-N 0 0 328.412 4.167 10 0 EIAERN O=C1C[C@H]2CCC[C@@H](C1)N2c1ccc(Br)cc1Cl ZINC000054600964 132192152 /nfs/dbraw/zinc/19/21/52/132192152.db2.gz LGMZJNQHWSQAHL-PHIMTYICSA-N 0 0 328.637 4.193 10 0 EIAERN O=C(C1=Cc2cc(Cl)ccc2OC1)N1CCCc2ccccc21 ZINC000040180090 132399270 /nfs/dbraw/zinc/39/92/70/132399270.db2.gz QXIGQMZCDKGCAV-UHFFFAOYSA-N 0 0 325.795 4.095 10 0 EIAERN Cn1c(CCN2c3ccccc3Sc3ccccc32)n[nH]c1=S ZINC000040177457 132399301 /nfs/dbraw/zinc/39/93/01/132399301.db2.gz CCZSIWQECHNRSB-UHFFFAOYSA-N 0 0 340.477 4.323 10 0 EIAERN CCCOC(=O)c1cc(-n2cccc2)ccc1N1CCCC[C@@H]1C ZINC000226277465 135593413 /nfs/dbraw/zinc/59/34/13/135593413.db2.gz NVHPICYXZWINBQ-INIZCTEOSA-N 0 0 326.440 4.423 10 0 EIAERN C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccco1)c1ccccc1Br ZINC000121272726 221802769 /nfs/dbraw/zinc/80/27/69/221802769.db2.gz ODDSUMAOLOTMSW-DRZSPHRISA-N 0 0 334.213 4.023 10 0 EIAERN O=C1CC2(CCCCC2)CC(=O)N1c1ccc(Br)cc1 ZINC000035055777 526961977 /nfs/dbraw/zinc/96/19/77/526961977.db2.gz JOQZUGOLYAGHHA-UHFFFAOYSA-N 0 0 336.229 4.053 10 0 EIAERN CCOC(=O)c1c(C)c2c(Br)nsc2nc1C(C)C ZINC000536956190 564091771 /nfs/dbraw/zinc/09/17/71/564091771.db2.gz YRZKYMOGJZJREV-UHFFFAOYSA-N 0 0 343.246 4.062 10 0 EIAERN CCCCCCc1cc(C(=O)Cc2nc(C)cs2)c(O)cc1O ZINC000003111523 563472544 /nfs/dbraw/zinc/47/25/44/563472544.db2.gz WJXSMJQCFHJWJZ-UHFFFAOYSA-N 0 0 333.453 4.411 10 0 EIAERN Nc1ccc(N2CCCCC2)c(NC(=O)c2ccccc2Cl)c1 ZINC000226254577 563996034 /nfs/dbraw/zinc/99/60/34/563996034.db2.gz NLRRRLJXCGWKNB-UHFFFAOYSA-N 0 0 329.831 4.165 10 0 EIAERN C[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4Cc5n[nH]cc5C[C@]4(C)[C@H]3CC[C@]21C ZINC000088032768 564076801 /nfs/dbraw/zinc/07/68/01/564076801.db2.gz LKAJKIOFIWVMDJ-NYQNYOHKSA-N 0 0 328.500 4.118 10 0 EIAERN Cc1ccc(-c2nnc(NC[C@@H](O)c3ccc(Cl)cc3)s2)cc1 ZINC000000396058 564082639 /nfs/dbraw/zinc/08/26/39/564082639.db2.gz CPIRJGSAZWHTFG-OAHLLOKOSA-N 0 0 345.855 4.312 10 0 EIAERN Cc1ccc(NC(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1 ZINC000224290712 564089013 /nfs/dbraw/zinc/08/90/13/564089013.db2.gz ADADLZYZQPBLER-UHFFFAOYSA-N 0 0 338.342 4.360 10 0 EIAERN CC(C)[C@@H](NC(=O)/C=C/c1ccccc1)c1nc(-c2ccccc2)no1 ZINC000064372527 564090009 /nfs/dbraw/zinc/09/00/09/564090009.db2.gz PQCHUYBMHSVPDM-JKIKYLSZSA-N 0 0 347.418 4.263 10 0 EIAERN Cc1cc(Br)cc(Nc2nccc(C(F)(F)F)n2)c1 ZINC000117699016 564091432 /nfs/dbraw/zinc/09/14/32/564091432.db2.gz LLCYYUOGLULSRC-UHFFFAOYSA-N 0 0 332.123 4.310 10 0 EIAERN Cc1ccccc1Cn1cc(-c2ccncc2)cc1C(=O)N1CCCC1 ZINC000065209763 564102723 /nfs/dbraw/zinc/10/27/23/564102723.db2.gz LMNZBQYRGBXCNE-UHFFFAOYSA-N 0 0 345.446 4.143 10 0 EIAERN c1nc(-c2cccc(N[C@@H](c3ccccc3)c3ccccn3)c2)n[nH]1 ZINC000170593075 564108924 /nfs/dbraw/zinc/10/89/24/564108924.db2.gz DCDFAFADFSZMQM-IBGZPJMESA-N 0 0 327.391 4.068 10 0 EIAERN CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000675055614 564111859 /nfs/dbraw/zinc/11/18/59/564111859.db2.gz VTXLJHKFHRECSZ-SMDDNHRTSA-N 0 0 345.270 4.311 10 0 EIAERN Cc1ccc(-c2c(I)[nH]nc2C(C)(F)F)cc1 ZINC000675076484 564113372 /nfs/dbraw/zinc/11/33/72/564113372.db2.gz OBNGTFOVBLYXFH-UHFFFAOYSA-N 0 0 348.134 4.101 10 0 EIAERN CCCCC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 ZINC000685961794 564177185 /nfs/dbraw/zinc/17/71/85/564177185.db2.gz OIDCPEXQLZMBFA-YJBOKZPZSA-N 0 0 349.471 4.244 10 0 EIAERN C[C@H](COCc1ccccc1)CC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C ZINC000685962857 564177257 /nfs/dbraw/zinc/17/72/57/564177257.db2.gz XPPXOEIWKQTAKI-HOTGVXAUSA-N 0 0 349.471 4.054 10 0 EIAERN CN1CC[C@@H](CNC(=O)c2ccccc2C(F)(F)F)c2ccccc21 ZINC000056045393 1032076735 /nfs/dbraw/zinc/07/67/35/1032076735.db2.gz RRCVBPBRUZBSKC-ZDUSSCGKSA-N 0 0 348.368 4.059 10 0 EIAERN C[C@H](c1cccs1)N(C)C(=O)NC[C@H]1CCN(C)c2ccccc21 ZINC000057332809 1032099413 /nfs/dbraw/zinc/09/94/13/1032099413.db2.gz RKDAACYEKCTUGI-HUUCEWRRSA-N 0 0 343.496 4.074 10 0 EIAERN Cc1c2cccc(Cl)c2oc1C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113893339 1021164719 /nfs/dbraw/zinc/16/47/19/1021164719.db2.gz NMNPIBFMQWYDIX-HNNXBMFYSA-N 0 0 343.814 4.485 10 0 EIAERN O=C(c1sccc1-c1ccccc1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000127605632 1023888831 /nfs/dbraw/zinc/88/88/31/1023888831.db2.gz NYGDURNJIZOPLB-UZLBHIALSA-N 0 0 341.476 4.182 10 0 EIAERN Cc1cnccc1NC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000121734009 1026328516 /nfs/dbraw/zinc/32/85/16/1026328516.db2.gz KXLGBIVIVLFYKB-KRWDZBQOSA-N 0 0 337.423 4.348 10 0 EIAERN CC(C)=C(F)C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1C ZINC000119989887 1026730252 /nfs/dbraw/zinc/73/02/52/1026730252.db2.gz BRWKAMRDSBLKBC-UHFFFAOYSA-N 0 0 342.418 4.182 10 0 EIAERN O=C(c1cccc(OC2CCCC2)c1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113885268 1027836922 /nfs/dbraw/zinc/83/69/22/1027836922.db2.gz BEAHZZXRKYDRPK-LJQANCHMSA-N 0 0 339.439 4.099 10 0 EIAERN O=C(Nc1ccc2[nH]ccc2c1)N1CCC[C@@H](c2nccs2)C1 ZINC000114813511 1029622418 /nfs/dbraw/zinc/62/24/18/1029622418.db2.gz OXVAXMVLZGPCCY-CYBMUJFWSA-N 0 0 326.425 4.036 10 0 EIAERN Cc1ccc([C@H](C)NC(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000114824569 1029645098 /nfs/dbraw/zinc/64/50/98/1029645098.db2.gz BYPSBQWDWNTDJX-HOCLYGCPSA-N 0 0 329.469 4.102 10 0 EIAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N(Cc1ccccc1)c1ccccn1 ZINC000117587973 1031150523 /nfs/dbraw/zinc/15/05/23/1031150523.db2.gz KFSHYXWUKNHWSB-IERDGZPVSA-N 0 0 344.414 4.180 10 0 EIAERN COc1cccc([C@H]2C[C@@H]2C(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000117719880 1031207611 /nfs/dbraw/zinc/20/76/11/1031207611.db2.gz JDLXYECDFOZIBF-MSOLQXFVSA-N 0 0 339.460 4.176 10 0 EIAERN C[C@@H](Cc1cccc(F)c1)C(=O)N1CC=C(c2cccs2)CC1 ZINC000117720660 1031208803 /nfs/dbraw/zinc/20/88/03/1031208803.db2.gz XZBCHXYPUUSXSR-AWEZNQCLSA-N 0 0 329.440 4.382 10 0 EIAERN CC[C@H](NC(=O)N1CC=C(c2ccccc2)CC1)c1nc(C)cs1 ZINC000105307727 1031270084 /nfs/dbraw/zinc/27/00/84/1031270084.db2.gz QMGODANNYYWJPQ-KRWDZBQOSA-N 0 0 341.480 4.402 10 0 EIAERN CSc1ccc(Cl)cc1NC(=O)C[C@@H]1C(=O)Nc2ccccc21 ZINC000123158906 1031331524 /nfs/dbraw/zinc/33/15/24/1031331524.db2.gz XEJKNDOCECVMLY-LBPRGKRZSA-N 0 0 346.839 4.126 10 0 EIAERN CSc1ccc(Cl)cc1NC(=O)C[C@H]1C(=O)Nc2ccccc21 ZINC000123158693 1031332067 /nfs/dbraw/zinc/33/20/67/1031332067.db2.gz XEJKNDOCECVMLY-GFCCVEGCSA-N 0 0 346.839 4.126 10 0 EIAERN Cc1cccc(C)c1OC1CCN(C(=O)c2cc(Cl)ccn2)CC1 ZINC000127206596 1031681163 /nfs/dbraw/zinc/68/11/63/1031681163.db2.gz NIFHRJQBGKYDSX-UHFFFAOYSA-N 0 0 344.842 4.035 10 0 EIAERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000127648579 1031704611 /nfs/dbraw/zinc/70/46/11/1031704611.db2.gz WLTAMPMGWHAXMC-FKBYEOEOSA-N 0 0 342.442 4.399 10 0 EIAERN Cc1csc(C2CCN(Cc3c(Cl)nc4ccccn43)CC2)n1 ZINC000092787324 1039589868 /nfs/dbraw/zinc/58/98/68/1039589868.db2.gz SULOGARUJTYRAM-UHFFFAOYSA-N 0 0 346.887 4.132 10 0 EIAERN CC(C)c1csc([C@@H]2CCCN(Cc3noc(C(C)(C)C)n3)C2)n1 ZINC000127820331 1041997985 /nfs/dbraw/zinc/99/79/85/1041997985.db2.gz OHAVZGATSJTWED-CYBMUJFWSA-N 0 0 348.516 4.327 10 0 EIAERN Cc1cc(C(=O)N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)c(C)o1 ZINC000113218651 1043286058 /nfs/dbraw/zinc/28/60/58/1043286058.db2.gz XNWJMXDOIJFHCV-QGZVFWFLSA-N 0 0 349.434 4.306 10 0 EIAERN CC[C@H](NC(=O)N1CCO[C@@H](c2cccc(F)c2)C1)c1cccs1 ZINC000067406596 1045742519 /nfs/dbraw/zinc/74/25/19/1045742519.db2.gz DRWRZHBOJPNTJB-JKSUJKDBSA-N 0 0 348.443 4.121 10 0 EIAERN O=C(Nc1ccc2oc(=O)ccc2c1)N1CC=C(c2ccccc2)CC1 ZINC000068578135 1045752786 /nfs/dbraw/zinc/75/27/86/1045752786.db2.gz RUNWTTRISPRPST-UHFFFAOYSA-N 0 0 346.386 4.114 10 0 EIAERN Cc1csc([C@@H](C)NC(=O)N2CC=C(c3ccccc3)CC2)n1 ZINC000069328047 1045761577 /nfs/dbraw/zinc/76/15/77/1045761577.db2.gz HLUVZDVMUGQKED-CQSZACIVSA-N 0 0 327.453 4.011 10 0 EIAERN Cc1csc(C2CCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3C)CC2)n1 ZINC000076987235 1045925685 /nfs/dbraw/zinc/92/56/85/1045925685.db2.gz LBTJUULTICORGO-QZTJIDSGSA-N 0 0 340.492 4.270 10 0 EIAERN Cc1cnc([C@H](C)NC(=O)N2CC=C(c3ccccc3)CC2)s1 ZINC000078348753 1046028908 /nfs/dbraw/zinc/02/89/08/1046028908.db2.gz GRGNPFOTZIVQFU-AWEZNQCLSA-N 0 0 327.453 4.011 10 0 EIAERN O=S(=O)(Cc1ncc(-c2ccccc2Cl)o1)C1CCCCC1 ZINC000078829772 1046131370 /nfs/dbraw/zinc/13/13/70/1046131370.db2.gz LYCANYKYSNSAIA-UHFFFAOYSA-N 0 0 339.844 4.243 10 0 EIAERN O=[S@@](Cc1ncc(-c2ccccc2Cl)o1)c1ccc(O)cc1 ZINC000080140591 1046458128 /nfs/dbraw/zinc/45/81/28/1046458128.db2.gz AQYIHBSITFPNCY-JOCHJYFZSA-N 0 0 333.796 4.008 10 0 EIAERN Cn1nc(-c2ccc(Br)s2)c(-c2cccs2)c1N ZINC000052901519 214154018 /nfs/dbraw/zinc/15/40/18/214154018.db2.gz XZAQEBBVECDOHP-UHFFFAOYSA-N 0 0 340.271 4.222 10 0 EIAERN O[C@H](Cc1cc(Br)cs1)Cc1ccc(Cl)cc1 ZINC000053783444 214197947 /nfs/dbraw/zinc/19/79/47/214197947.db2.gz IXHXQKQLDCJEJA-LBPRGKRZSA-N 0 0 331.662 4.310 10 0 EIAERN O[C@@H](Cc1ccc(Cl)cc1)Cc1cc(Br)ccc1F ZINC000053783402 214198097 /nfs/dbraw/zinc/19/80/97/214198097.db2.gz YMLZSVBDQVBBKM-AWEZNQCLSA-N 0 0 343.623 4.388 10 0 EIAERN CCOc1cccc([C@H](O)Cc2cc(Br)cs2)c1 ZINC000053781489 214198171 /nfs/dbraw/zinc/19/81/71/214198171.db2.gz KNCYNSBRFGGBDC-CQSZACIVSA-N 0 0 327.243 4.185 10 0 EIAERN COc1cc(Nc2ccnc3c(F)cc(F)cc23)cc(OC)c1OC ZINC000054202498 214224378 /nfs/dbraw/zinc/22/43/78/214224378.db2.gz QBWICLBDVYXNST-UHFFFAOYSA-N 0 0 346.333 4.282 10 0 EIAERN CN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CCc2c1cccc2F ZINC000056857663 214391890 /nfs/dbraw/zinc/39/18/90/214391890.db2.gz VTOLONRPPHOBFO-CQSZACIVSA-N 0 0 338.835 4.370 10 0 EIAERN CCN(CC)C1=Nc2cc(C(=O)[O-])ccc2Sc2ccccc21 ZINC000100060843 219090182 /nfs/dbraw/zinc/09/01/82/219090182.db2.gz MRKXLWCOOVGXJX-UHFFFAOYSA-N 0 0 326.421 4.270 10 0 EIAERN CSc1nnc(C)c(C=CNc2cccc(C(F)(F)F)c2)n1 ZINC000100381380 219097604 /nfs/dbraw/zinc/09/76/04/219097604.db2.gz GFJMBPXEWMLRRP-SREVYHEPSA-N 0 0 326.347 4.004 10 0 EIAERN CCc1nc2c(-c3ccc(C)cc3)noc2c(NCCc2ccco2)n1 ZINC000064835194 214808843 /nfs/dbraw/zinc/80/88/43/214808843.db2.gz WVEVGWALGDLGJN-UHFFFAOYSA-N 0 0 348.406 4.403 10 0 EIAERN CO[C@H](CNC(=O)/C=C\c1ccccc1Cl)c1ccccc1C ZINC000101322476 219121232 /nfs/dbraw/zinc/12/12/32/219121232.db2.gz RTXTXENWNLYZDD-YUIUBULTSA-N 0 0 329.827 4.166 10 0 EIAERN Cn1nc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c2c1cccc2F ZINC000004324579 210171761 /nfs/dbraw/zinc/17/17/61/210171761.db2.gz LMTBZDCPAWBCHW-UHFFFAOYSA-N 0 0 341.430 4.257 10 0 EIAERN O=C(NCCc1ccccn1)c1cc2cn(C3CCCC3)cc2s1 ZINC000065285752 214861912 /nfs/dbraw/zinc/86/19/12/214861912.db2.gz IYECCVALWUJGSS-UHFFFAOYSA-N 0 0 339.464 4.185 10 0 EIAERN Cc1nc(CNc2nncc(-c3ccc4ccccc4c3)n2)cs1 ZINC000067956378 215260935 /nfs/dbraw/zinc/26/09/35/215260935.db2.gz LPIXBDBXWXONMT-UHFFFAOYSA-N 0 0 333.420 4.069 10 0 EIAERN Nc1cccc(F)c1COc1ccc(Cl)cc1Br ZINC000104070692 219344816 /nfs/dbraw/zinc/34/48/16/219344816.db2.gz WSYFXEBXKZRWCX-UHFFFAOYSA-N 0 0 330.584 4.403 10 0 EIAERN Cc1ccc2c(c1)[nH]c(=S)n2Cc1cccc(Br)c1 ZINC000104165767 219354094 /nfs/dbraw/zinc/35/40/94/219354094.db2.gz RCGBSRVIZRTMGU-UHFFFAOYSA-N 0 0 333.254 4.444 10 0 EIAERN Cc1ccc(Oc2cc(C)ccc2C(N)=S)c(Br)c1 ZINC000104168831 219354099 /nfs/dbraw/zinc/35/40/99/219354099.db2.gz SGOMNASEQDZIIQ-UHFFFAOYSA-N 0 0 336.254 4.492 10 0 EIAERN NC(=S)c1ccc(Cl)cc1Nc1ccc(Br)cc1 ZINC000104172743 219355662 /nfs/dbraw/zinc/35/56/62/219355662.db2.gz JEMKAFLIDIKHRK-UHFFFAOYSA-N 0 0 341.661 4.480 10 0 EIAERN Nc1cccc(Cl)c1C(=O)OCc1cccc(Br)c1 ZINC000104336122 219375643 /nfs/dbraw/zinc/37/56/43/219375643.db2.gz BJXBTFREAZLWOW-UHFFFAOYSA-N 0 0 340.604 4.042 10 0 EIAERN Cc1ccc(C)c(OCC(=O)Oc2ccc(Br)cc2)c1C ZINC000040876965 213396426 /nfs/dbraw/zinc/39/64/26/213396426.db2.gz NWAVNXSIOKUCSM-UHFFFAOYSA-N 0 0 349.224 4.359 10 0 EIAERN Cc1cc(-c2nc(-c3ccc(Br)cc3)no2)c(N)s1 ZINC000104351720 219378364 /nfs/dbraw/zinc/37/83/64/219378364.db2.gz MLDBYSQCOMQGRM-UHFFFAOYSA-N 0 0 336.214 4.118 10 0 EIAERN Cc1ccc(Nc2ncnc(Nc3ccc(F)c(Cl)c3)c2N)nc1 ZINC000040797625 213389001 /nfs/dbraw/zinc/38/90/01/213389001.db2.gz CYAFGLBTNJYDEF-UHFFFAOYSA-N 0 0 344.781 4.042 10 0 EIAERN Nc1c(Nc2cccc(Cl)c2)ncnc1Nc1ccc(F)cc1F ZINC000040781855 213385576 /nfs/dbraw/zinc/38/55/76/213385576.db2.gz DJGZDBHSNWWAHQ-UHFFFAOYSA-N 0 0 347.756 4.478 10 0 EIAERN Nc1c(Nc2cccnc2)ncnc1Nc1cc(Cl)ccc1Cl ZINC000040759655 213384669 /nfs/dbraw/zinc/38/46/69/213384669.db2.gz CVPJPUYCQPAQCM-UHFFFAOYSA-N 0 0 347.209 4.248 10 0 EIAERN Nc1c(NCc2ccc(Cl)cc2)ncnc1Nc1ccccc1F ZINC000040759202 213383983 /nfs/dbraw/zinc/38/39/83/213383983.db2.gz RCQZCOUUPWCBTC-UHFFFAOYSA-N 0 0 343.793 4.207 10 0 EIAERN Nc1c(Nc2cccnc2Cl)ncnc1Sc1ccccc1 ZINC000040783253 213387050 /nfs/dbraw/zinc/38/70/50/213387050.db2.gz RZDDTMMMBGVYDT-UHFFFAOYSA-N 0 0 329.816 4.002 10 0 EIAERN Nc1c(Nc2ccccc2)ncnc1Nc1cccc2cccnc21 ZINC000040758303 213383996 /nfs/dbraw/zinc/38/39/96/213383996.db2.gz DBRLQIBLZRHACD-UHFFFAOYSA-N 0 0 328.379 4.094 10 0 EIAERN Cc1ccc(Nc2ncnc(Nc3ccc(F)c(F)c3)c2N)c(C)c1 ZINC000040755546 213383661 /nfs/dbraw/zinc/38/36/61/213383661.db2.gz JPUUCZQVFFBSID-UHFFFAOYSA-N 0 0 341.365 4.441 10 0 EIAERN COc1ccccc1Oc1ncnc(Nc2ccc(C)c(C)c2)c1N ZINC000040703076 213371690 /nfs/dbraw/zinc/37/16/90/213371690.db2.gz CYDQCTKTKQEMMS-UHFFFAOYSA-N 0 0 336.395 4.220 10 0 EIAERN CC(C)(C)Nc1ncnc(Nc2ccccc2C(F)(F)F)c1N ZINC000040680390 213367834 /nfs/dbraw/zinc/36/78/34/213367834.db2.gz DCYCIOPJQBPLJW-UHFFFAOYSA-N 0 0 325.338 4.032 10 0 EIAERN CC(C)(C)Nc1ncnc(Nc2ccc(Cl)c(Cl)c2)c1N ZINC000040680402 213368207 /nfs/dbraw/zinc/36/82/07/213368207.db2.gz KJCBCBNBVUTNRQ-UHFFFAOYSA-N 0 0 326.231 4.320 10 0 EIAERN Cc1cc(C)cc(Nc2ncnc(Nc3ccc(F)c(F)c3)c2N)c1 ZINC000040682207 213368111 /nfs/dbraw/zinc/36/81/11/213368111.db2.gz YFOXUFATJYJKMS-UHFFFAOYSA-N 0 0 341.365 4.441 10 0 EIAERN CCOc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000001934788 209806584 /nfs/dbraw/zinc/80/65/84/209806584.db2.gz ZWODDYBCFRKMBD-VZUCSPMQSA-N 0 0 331.799 4.399 10 0 EIAERN CC(C)(C)OC(=O)N1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1 ZINC000040442957 213303457 /nfs/dbraw/zinc/30/34/57/213303457.db2.gz ATTOMLZUFXQUHD-UHFFFAOYSA-N 0 0 333.819 4.023 10 0 EIAERN OCCCc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 ZINC000040417780 213301611 /nfs/dbraw/zinc/30/16/11/213301611.db2.gz XFYGKSWHSPYODZ-UHFFFAOYSA-N 0 0 334.341 4.028 10 0 EIAERN Cc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2CCCO)cc1 ZINC000040402215 213298433 /nfs/dbraw/zinc/29/84/33/213298433.db2.gz BSRKLOSQLIJWGJ-UHFFFAOYSA-N 0 0 334.341 4.413 10 0 EIAERN O=C(NCc1nc(-c2ccccc2)cs1)c1ccc(Cl)cc1 ZINC000040323817 213292080 /nfs/dbraw/zinc/29/20/80/213292080.db2.gz ORXQHNVEMORRBX-UHFFFAOYSA-N 0 0 328.824 4.394 10 0 EIAERN Cc1ccc(-c2nc3ccccc3n2CC(=O)NC2CCCCC2)cc1 ZINC000040307225 213289608 /nfs/dbraw/zinc/28/96/08/213289608.db2.gz UBLAZENREMSBPF-UHFFFAOYSA-N 0 0 347.462 4.461 10 0 EIAERN Cc1cc2nc(CCCO)n(Cc3cccc(Cl)c3)c2cc1C ZINC000040310966 213290517 /nfs/dbraw/zinc/29/05/17/213290517.db2.gz SMRNPGPTVSJORD-UHFFFAOYSA-N 0 0 328.843 4.280 10 0 EIAERN Cc1ccc(-c2nc3ccccc3n2CC(=O)N2CCC(C)CC2)cc1 ZINC000040249375 213284695 /nfs/dbraw/zinc/28/46/95/213284695.db2.gz MACWQBVKHUQZPC-UHFFFAOYSA-N 0 0 347.462 4.270 10 0 EIAERN CC(=O)NCCCc1nc2ccccc2n1CCC1CCCCC1 ZINC000040203853 213281472 /nfs/dbraw/zinc/28/14/72/213281472.db2.gz FMCCXMYNQVBVAU-UHFFFAOYSA-N 0 0 327.472 4.075 10 0 EIAERN CCCCCn1c(CCCCCNC(=O)CC)nc2ccccc21 ZINC000040211072 213281541 /nfs/dbraw/zinc/28/15/41/213281541.db2.gz CDIQIEVHHOUVDC-UHFFFAOYSA-N 0 0 329.488 4.466 10 0 EIAERN Cc1cccc(C)c1OCCCn1c(CCCO)nc2ccccc21 ZINC000040225334 213282598 /nfs/dbraw/zinc/28/25/98/213282598.db2.gz NZWKCXWSTNEASA-UHFFFAOYSA-N 0 0 338.451 4.047 10 0 EIAERN CC(C)c1ccccc1OCCn1c(CCCO)nc2ccccc21 ZINC000040225300 213282147 /nfs/dbraw/zinc/28/21/47/213282147.db2.gz PGYYLSUIAGDKSB-UHFFFAOYSA-N 0 0 338.451 4.164 10 0 EIAERN CC(C)CCn1c(CNC(=O)C2CCCCC2)nc2ccccc21 ZINC000040188413 213280210 /nfs/dbraw/zinc/28/02/10/213280210.db2.gz CNDWWRYPIFDVRJ-UHFFFAOYSA-N 0 0 327.472 4.279 10 0 EIAERN CC(C)CCn1c(CCNC(=O)c2ccccc2)nc2ccccc21 ZINC000040199286 213280233 /nfs/dbraw/zinc/28/02/33/213280233.db2.gz NQKQHWTVTFGWAX-UHFFFAOYSA-N 0 0 335.451 4.055 10 0 EIAERN CCn1c(CCCNC(=O)c2cccc(Cl)c2)nc2ccccc21 ZINC000040206956 213281315 /nfs/dbraw/zinc/28/13/15/213281315.db2.gz IYAVRIBKPREEER-UHFFFAOYSA-N 0 0 341.842 4.072 10 0 EIAERN CCSc1nn2cc(-c3ccc(Br)cc3)nc2s1 ZINC000039239033 213232681 /nfs/dbraw/zinc/23/26/81/213232681.db2.gz JKSATRZOOBTOSV-UHFFFAOYSA-N 0 0 340.271 4.332 10 0 EIAERN Brc1ccccc1Nc1cccnc1Br ZINC000038984920 213230850 /nfs/dbraw/zinc/23/08/50/213230850.db2.gz XBXAENXUJYWZAG-UHFFFAOYSA-N 0 0 328.007 4.350 10 0 EIAERN Cc1c(Cl)c(=O)oc2cc(O[P@](C)(=O)OC(C)C)ccc12 ZINC000038248374 213206080 /nfs/dbraw/zinc/20/60/80/213206080.db2.gz YZGZZWMODWINHA-OAQYLSRUSA-N 0 0 330.704 4.382 10 0 EIAERN Nc1cc(Cl)ccc1NC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000038001335 213186413 /nfs/dbraw/zinc/18/64/13/213186413.db2.gz IXYOJSZCNRVDCO-UHFFFAOYSA-N 0 0 345.613 4.247 10 0 EIAERN Nc1ccc(Cl)c(NC(=O)COc2ccc(Cl)c(Cl)c2)c1 ZINC000038001367 213186128 /nfs/dbraw/zinc/18/61/28/213186128.db2.gz UVHOJRSFNCRRCV-UHFFFAOYSA-N 0 0 345.613 4.247 10 0 EIAERN C[C@]12C[C@H](CC(C)(C)C1)N(C(=O)c1nc(Cl)ccc1Cl)C2 ZINC000037980558 213180800 /nfs/dbraw/zinc/18/08/00/213180800.db2.gz JHIRYCOMHNWDRW-QFYYESIMSA-N 0 0 327.255 4.429 10 0 EIAERN C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)c1cnc(Cl)c(Cl)c1)C2 ZINC000037979286 213179922 /nfs/dbraw/zinc/17/99/22/213179922.db2.gz HEUPNKVGTYROEQ-BDJLRTHQSA-N 0 0 327.255 4.429 10 0 EIAERN CCCCCC[C@](C)(Nc1ccc(Br)cc1)C(N)=O ZINC000037944175 213174948 /nfs/dbraw/zinc/17/49/48/213174948.db2.gz KELZKOXINMJXJO-HNNXBMFYSA-N 0 0 327.266 4.075 10 0 EIAERN FC(F)(F)c1cc(NCc2ccccn2)ccc1Br ZINC000036952176 213127764 /nfs/dbraw/zinc/12/77/64/213127764.db2.gz XLDLCKQGLBPEAE-UHFFFAOYSA-N 0 0 331.135 4.475 10 0 EIAERN Cc1nc(N)sc1SCc1cc(F)ccc1Br ZINC000037036577 213130885 /nfs/dbraw/zinc/13/08/85/213130885.db2.gz ZLSSGPFMHLJOJI-UHFFFAOYSA-N 0 0 333.251 4.228 10 0 EIAERN CCN(CC)c1ccc(NCc2csc(Br)c2)cn1 ZINC000037003723 213130360 /nfs/dbraw/zinc/13/03/60/213130360.db2.gz VSUJTWGKHRCMOF-UHFFFAOYSA-N 0 0 340.290 4.364 10 0 EIAERN C[C@@H]1CCCC[C@@H]1Nc1cc2c(cc1Br)OCCO2 ZINC000036954670 213127197 /nfs/dbraw/zinc/12/71/97/213127197.db2.gz NUIKVOUBVPMHJR-PWSUYJOCSA-N 0 0 326.234 4.211 10 0 EIAERN CC(C)n1cc(Br)cc1C(=O)NC1CCC(C)CC1 ZINC000036859776 213123836 /nfs/dbraw/zinc/12/38/36/213123836.db2.gz YJKKSBFPEWWXQW-UHFFFAOYSA-N 0 0 327.266 4.140 10 0 EIAERN C[C@H](O)c1ccc(Oc2ccc(I)cc2)cc1 ZINC000035632504 213043740 /nfs/dbraw/zinc/04/37/40/213043740.db2.gz ZKRBXQMEJZEQKN-JTQLQIEISA-N 0 0 340.160 4.137 10 0 EIAERN CN[C@@H](c1ccc(Br)s1)c1c(F)cc(F)cc1F ZINC000035469396 213031034 /nfs/dbraw/zinc/03/10/34/213031034.db2.gz KOLUDBXQHCZMTO-LBPRGKRZSA-N 0 0 336.176 4.237 10 0 EIAERN C=CC(=O)NCc1nc2ccccc2n1Cc1ccc(C(C)(C)C)cc1 ZINC000035143617 213010800 /nfs/dbraw/zinc/01/08/00/213010800.db2.gz HRYINNODIDOOBS-UHFFFAOYSA-N 0 0 347.462 4.184 10 0 EIAERN COc1cccc(OC)c1-c1noc(Cc2ccc3ccccc3c2)n1 ZINC000032578200 212811662 /nfs/dbraw/zinc/81/16/62/212811662.db2.gz BZNMEEAGMLWQFH-UHFFFAOYSA-N 0 0 346.386 4.498 10 0 EIAERN CCOP(=O)(OCC)[C@H](/C=C(/Cl)c1ccccc1)N(C)C ZINC000032232866 212794077 /nfs/dbraw/zinc/79/40/77/212794077.db2.gz WJVNYZBAAFGAGF-OKFGHLOFSA-N 0 0 331.780 4.420 10 0 EIAERN COc1ccccc1-c1cc(-c2c[nH]nc2-c2ccccn2)ccn1 ZINC000072118795 216012329 /nfs/dbraw/zinc/01/23/29/216012329.db2.gz IGVIQTXWIXJREX-UHFFFAOYSA-N 0 0 328.375 4.209 10 0 EIAERN O=C1c2ccccc2CC[C@]12O[C@@H]2c1ccc(Br)cc1 ZINC000000163828 209459339 /nfs/dbraw/zinc/45/93/39/209459339.db2.gz KCIJKKMJZDOIQE-SJORKVTESA-N 0 0 329.193 4.088 10 0 EIAERN Cc1ccc(Nc2nc3nccc(-c4ccccc4)c3c(=O)[nH]2)c(C)c1 ZINC000072440025 216233257 /nfs/dbraw/zinc/23/32/57/216233257.db2.gz LEVZSEUZGDJBPL-UHFFFAOYSA-N 0 0 342.402 4.346 10 0 EIAERN Cc1nn(-c2ccc(C)cc2)cc1-c1ccnc(N2CCC(C)CC2)n1 ZINC000072462208 216243754 /nfs/dbraw/zinc/24/37/54/216243754.db2.gz ABCFXXRUKYCEJK-UHFFFAOYSA-N 0 0 347.466 4.182 10 0 EIAERN CCc1nn2cc3c(nc2c1-c1cccc(Cl)c1)CCCC3=O ZINC000072464079 216246545 /nfs/dbraw/zinc/24/65/45/216246545.db2.gz QIIZWUDSEXVKRD-UHFFFAOYSA-N 0 0 325.799 4.131 10 0 EIAERN CCc1nn2cc3c(nc2c1-c1ccc(C)cc1)CC(C)(C)CC3=O ZINC000072464053 216246977 /nfs/dbraw/zinc/24/69/77/216246977.db2.gz IXVMPTVRSKUKBX-UHFFFAOYSA-N 0 0 333.435 4.422 10 0 EIAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(C)c1C ZINC000022699924 212318959 /nfs/dbraw/zinc/31/89/59/212318959.db2.gz DCUWSDYAJICTSW-KUHUBIRLSA-N 0 0 338.451 4.087 10 0 EIAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000022621095 212312469 /nfs/dbraw/zinc/31/24/69/212312469.db2.gz QUSCUEDXOXAWGT-SUMWQHHRSA-N 0 0 344.842 4.123 10 0 EIAERN Cc1cc(N)c(NC(=O)c2ccc(Br)cc2)cc1Cl ZINC000226347028 242099589 /nfs/dbraw/zinc/09/95/89/242099589.db2.gz ZHPGBVANHWPUMD-UHFFFAOYSA-N 0 0 339.620 4.245 10 0 EIAERN CCOc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)c(N)c1 ZINC000226347403 242099688 /nfs/dbraw/zinc/09/96/88/242099688.db2.gz XELFXCVJFRYRSZ-UHFFFAOYSA-N 0 0 325.195 4.227 10 0 EIAERN COc1c(Cl)cc(C(=O)Nc2ccc(Cl)cc2N)cc1Cl ZINC000226349875 242099863 /nfs/dbraw/zinc/09/98/63/242099863.db2.gz OCXJEQLOZUFXBI-UHFFFAOYSA-N 0 0 345.613 4.490 10 0 EIAERN CC(C)(C)c1ccc(OCC(=O)Nc2ccc(Cl)cc2N)cc1 ZINC000226358659 242102144 /nfs/dbraw/zinc/10/21/44/242102144.db2.gz SRRQCTOTCFVNEZ-UHFFFAOYSA-N 0 0 332.831 4.237 10 0 EIAERN C[C@H]1CCCCN1c1ccc(N)cc1NC(=O)c1cccc(F)c1 ZINC000226254813 242092365 /nfs/dbraw/zinc/09/23/65/242092365.db2.gz VHFAJKKAPKKLFR-ZDUSSCGKSA-N 0 0 327.403 4.039 10 0 EIAERN C[C@H]1CCCCN1c1ccc(N)cc1NC(=O)c1ccccc1F ZINC000226254652 242092768 /nfs/dbraw/zinc/09/27/68/242092768.db2.gz JOURRSGNILXUQZ-ZDUSSCGKSA-N 0 0 327.403 4.039 10 0 EIAERN CCOc1cc(NC(=O)c2ccc(Cl)cc2)cc2sc(N)nc21 ZINC000226309992 242095880 /nfs/dbraw/zinc/09/58/80/242095880.db2.gz MUCDDEPFMWNBIB-UHFFFAOYSA-N 0 0 347.827 4.183 10 0 EIAERN Nc1cc(Cl)ccc1-c1ccc(C(=O)N2CCc3ccccc32)o1 ZINC000226304278 242095984 /nfs/dbraw/zinc/09/59/84/242095984.db2.gz QIHGIZJOANNHOM-UHFFFAOYSA-N 0 0 338.794 4.385 10 0 EIAERN Cc1cc(NC(=O)c2cccc3ccccc32)cc2sc(=NN)[nH]c21 ZINC000226311512 242096559 /nfs/dbraw/zinc/09/65/59/242096559.db2.gz IHTKYZIXYPHDCO-UHFFFAOYSA-N 0 0 348.431 4.296 10 0 EIAERN Nc1cc(Cl)c(NC(=O)CSc2cccs2)c(Cl)c1 ZINC000021509555 212227263 /nfs/dbraw/zinc/22/72/63/212227263.db2.gz ZHSHQFVSQHJOLT-UHFFFAOYSA-N 0 0 333.265 4.368 10 0 EIAERN O=c1c2ccc[nH]c-2c(Nc2ccccc2Cl)n1Cc1ccco1 ZINC000021104946 212207819 /nfs/dbraw/zinc/20/78/19/212207819.db2.gz JAAQJSGHCYILTH-KRWDZBQOSA-N 0 0 339.782 4.095 10 0 EIAERN COc1ccc(OC)c(NC(=O)/C=C/c2cc(Cl)ccc2OC)c1 ZINC000021141443 212211651 /nfs/dbraw/zinc/21/16/51/212211651.db2.gz FGBHZNMXIJUDEU-RUDMXATFSA-N 0 0 347.798 4.018 10 0 EIAERN Cc1cc(C)c(OCC(=O)Nc2nc3ccccc3s2)cc1C ZINC000021127527 212210510 /nfs/dbraw/zinc/21/05/10/212210510.db2.gz SRQPDFBRIXTVRF-UHFFFAOYSA-N 0 0 326.421 4.239 10 0 EIAERN CN(c1ncnc2onc(-c3ccc(F)cc3)c21)C1CCCCC1 ZINC000020574402 212148569 /nfs/dbraw/zinc/14/85/69/212148569.db2.gz BHFQOQNVHCODEW-UHFFFAOYSA-N 0 0 326.375 4.193 10 0 EIAERN CCc1ccc(NCC(=O)Nc2cccc(Br)c2)cc1 ZINC000020053737 212099062 /nfs/dbraw/zinc/09/90/62/212099062.db2.gz JVWILWWMICNKDY-UHFFFAOYSA-N 0 0 333.229 4.062 10 0 EIAERN CCc1cccc(NCC(=O)Nc2ccccc2Br)c1 ZINC000020054781 212098756 /nfs/dbraw/zinc/09/87/56/212098756.db2.gz QHHMSQYIYKHFHK-UHFFFAOYSA-N 0 0 333.229 4.062 10 0 EIAERN COc1cc(CNc2ccccc2Cl)cc(Br)c1O ZINC000019942536 212088369 /nfs/dbraw/zinc/08/83/69/212088369.db2.gz QELHNMUITRBURE-UHFFFAOYSA-N 0 0 342.620 4.429 10 0 EIAERN CCOC(=O)c1cnc2c(Br)cc(C)cc2c1Cl ZINC000019507973 212035257 /nfs/dbraw/zinc/03/52/57/212035257.db2.gz GCVTVSDMJWECPZ-UHFFFAOYSA-N 0 0 328.593 4.136 10 0 EIAERN COc1ccc(Br)cc1CSc1sc(N)nc1C ZINC000049596389 214021869 /nfs/dbraw/zinc/02/18/69/214021869.db2.gz WUNDUBFYOSJHDY-UHFFFAOYSA-N 0 0 345.287 4.097 10 0 EIAERN O=C(Nc1ccccc1C(F)(F)F)N[C@H]1CCN(c2ccccc2)C1 ZINC000078544174 217071476 /nfs/dbraw/zinc/07/14/76/217071476.db2.gz BRNKIVHRCJJBFF-ZDUSSCGKSA-N 0 0 349.356 4.106 10 0 EIAERN COc1ccc(C(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)cc1Br ZINC000014798951 211764877 /nfs/dbraw/zinc/76/48/77/211764877.db2.gz VDNQNOJQQOEJBY-MJVIPROJSA-N 0 0 340.261 4.012 10 0 EIAERN O=[S@](Cc1ccccc1)c1nc2ncc(C(F)(F)F)cc2s1 ZINC000089229737 217777596 /nfs/dbraw/zinc/77/75/96/217777596.db2.gz KZWYMIJLPZSAIM-QFIPXVFZSA-N 0 0 342.367 4.018 10 0 EIAERN COC(=O)c1sc2ncnc(Nc3cccc(Cl)c3)c2c1C ZINC000012126543 211299308 /nfs/dbraw/zinc/29/93/08/211299308.db2.gz JUNYOUYZFNGXKB-UHFFFAOYSA-N 0 0 333.800 4.183 10 0 EIAERN CCC(=O)Oc1c(C)s/c(=N\c2ccc(CC)cc2)n1C(=O)CC ZINC000011638108 211227767 /nfs/dbraw/zinc/22/77/67/211227767.db2.gz OWZZKAGNVAYVOV-HNENSFHCSA-N 0 0 346.452 4.018 10 0 EIAERN CCC(=O)Oc1c(CC)s/c(=N\c2ccc(C)cc2)n1C(=O)CC ZINC000011638134 211227881 /nfs/dbraw/zinc/22/78/81/211227881.db2.gz DPLCADREOMRELR-HNENSFHCSA-N 0 0 346.452 4.018 10 0 EIAERN CC(C)(C)OC(=O)N1CCC[C@@H](Oc2nc3ccccc3s2)C1 ZINC000095084586 218276634 /nfs/dbraw/zinc/27/66/34/218276634.db2.gz CKWZEYQCMLRPIF-GFCCVEGCSA-N 0 0 334.441 4.075 10 0 EIAERN O=C(Cn1c(Cc2cccs2)nc2ccccc21)Nc1ccccc1 ZINC000008787036 211008281 /nfs/dbraw/zinc/00/82/81/211008281.db2.gz AURQZLNIBZRHST-UHFFFAOYSA-N 0 0 347.443 4.327 10 0 EIAERN CCOC(Cn1c(Cc2cccs2)nc2ccccc21)OCC ZINC000008786979 211007837 /nfs/dbraw/zinc/00/78/37/211007837.db2.gz YFDJDDBLMXTEBO-UHFFFAOYSA-N 0 0 330.453 4.088 10 0 EIAERN O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1nnc(C2CC2)s1 ZINC000007407450 210796315 /nfs/dbraw/zinc/79/63/15/210796315.db2.gz DMNPDPYDJHEQFW-QHHAFSJGSA-N 0 0 340.235 4.374 10 0 EIAERN CC(C)(C)C(=O)Nc1nnc(SCc2cccc(Cl)c2)s1 ZINC000006740537 210696308 /nfs/dbraw/zinc/69/63/08/210696308.db2.gz XITMTVTUFRDDPO-UHFFFAOYSA-N 0 0 341.889 4.468 10 0 EIAERN COc1ccc2c(c1)c(C(=O)n1ccnc1)c(C)n2C1CCCCC1 ZINC000006654407 210671180 /nfs/dbraw/zinc/67/11/80/210671180.db2.gz WHCHHEQVAZEMSS-UHFFFAOYSA-N 0 0 337.423 4.349 10 0 EIAERN CON1CC/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O ZINC000005355152 210448098 /nfs/dbraw/zinc/44/80/98/210448098.db2.gz NJTQENWDJVHUOX-GXDHUFHOSA-N 0 0 331.456 4.164 10 0 investigational EIAERN COc1ccc(/C=C2/N=C(/C=C/c3ccccc3C)OC2=O)cc1OC ZINC000005199960 210412325 /nfs/dbraw/zinc/41/23/25/210412325.db2.gz FUITZJUHXBAAOX-KAZNXQFFSA-N 0 0 349.386 4.022 10 0 EIAERN Cc1nc2ccccc2c2oc(C(=O)Nc3ccc4c(c3)OCO4)cc21 ZINC000004902019 210317144 /nfs/dbraw/zinc/31/71/44/210317144.db2.gz SELJUAHTMXFDNO-UHFFFAOYSA-N 0 0 346.342 4.270 10 0 EIAERN C[C@]12CC[C@H]3[C@@H](CCC4=CC5(CC[C@@]43C)OCCO5)[C@@H]1CC[C@@H]2O ZINC000118912711 221202115 /nfs/dbraw/zinc/20/21/15/221202115.db2.gz FUOKARGLKLNTHY-RABCQHRBSA-N 0 0 332.484 4.053 10 0 EIAERN CC(C)[C@@H](NC(=O)c1cccnc1)c1nc2ccccc2n1C(C)C ZINC000334162720 258016057 /nfs/dbraw/zinc/01/60/57/258016057.db2.gz YJMKBILNFFFUDL-GOSISDBHSA-N 0 0 336.439 4.139 10 0 EIAERN Cc1cccc(NS(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1 ZINC000006930297 258052373 /nfs/dbraw/zinc/05/23/73/258052373.db2.gz AHTFEEDSCJYELK-UHFFFAOYSA-N 0 0 340.448 4.156 10 0 EIAERN Nc1ccc2c(c1)N(C(=O)c1c(Cl)cccc1Cl)CCS2 ZINC000038051179 132396529 /nfs/dbraw/zinc/39/65/29/132396529.db2.gz JVCPXJMPJZHUKE-UHFFFAOYSA-N 0 0 339.247 4.328 10 0 EIAERN CCOC(=O)c1ccc2[nH]c(-c3ccccc3Br)nc2c1 ZINC000226235871 535699253 /nfs/dbraw/zinc/69/92/53/535699253.db2.gz DMPIEBGNOCPMRY-UHFFFAOYSA-N 0 0 345.196 4.169 10 0 EIAERN CN(C(=O)C(F)(F)F)c1ccc2nc(-c3ccc(F)cc3)oc2c1 ZINC000226270964 535957884 /nfs/dbraw/zinc/95/78/84/535957884.db2.gz LMIIQDGLBQGPMC-UHFFFAOYSA-N 0 0 338.260 4.159 10 0 EIAERN CN(C(=O)C(F)(F)F)c1cccc(-c2nc3ccccc3s2)c1 ZINC000226280932 535957919 /nfs/dbraw/zinc/95/79/19/535957919.db2.gz YSZWYTDBDMEBKR-UHFFFAOYSA-N 0 0 336.338 4.488 10 0 EIAERN O=C1c2ccccc2[C@](O)(c2ccccc2)N1Cc1ccccc1Cl ZINC000003172238 563475157 /nfs/dbraw/zinc/47/51/57/563475157.db2.gz UCKRTWDRPSNZDJ-OAQYLSRUSA-N 0 0 349.817 4.189 10 0 EIAERN Cn1nc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1-c1ccco1 ZINC000034900994 563483526 /nfs/dbraw/zinc/48/35/26/563483526.db2.gz RHUPSZHIXGNISD-UHFFFAOYSA-N 0 0 336.178 4.239 10 0 EIAERN CCn1nc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccco1 ZINC000034900924 563483593 /nfs/dbraw/zinc/48/35/93/563483593.db2.gz BINNBQWOKJLUPE-UHFFFAOYSA-N 0 0 349.312 4.434 10 0 EIAERN C[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)[C@@H](CCC34OCCO4)[C@H]12 ZINC000006183127 563560512 /nfs/dbraw/zinc/56/05/12/563560512.db2.gz PFJAVULBZSJLRQ-FWAMVJKUSA-N 0 0 342.479 4.283 10 0 EIAERN S=C(NC1CCCCC1)N(C[C@H]1CCCO1)C[C@H]1CC=CCC1 ZINC000017070793 563833289 /nfs/dbraw/zinc/83/32/89/563833289.db2.gz NRYDHILURJZGGR-FUHWJXTLSA-N 0 0 336.545 4.031 10 0 EIAERN O=C1/C(=C/c2c(F)cccc2Cl)S[C@H]2Nc3ccccc3N12 ZINC000048513011 563930604 /nfs/dbraw/zinc/93/06/04/563930604.db2.gz QEOLFWOUDVSPIM-VCHSTOLQSA-N 0 0 332.787 4.309 10 0 EIAERN CCCNC(=O)c1ccc(Nc2ccc(-c3ccc(C)cc3)nn2)cc1 ZINC000033256991 563966178 /nfs/dbraw/zinc/96/61/78/563966178.db2.gz DBLRJBODUMTQQQ-UHFFFAOYSA-N 0 0 346.434 4.335 10 0 EIAERN BrC(Br)=C(Br)c1ccccc1 ZINC000090398610 563974907 /nfs/dbraw/zinc/97/49/07/563974907.db2.gz JVPKLOPETWVKQD-UHFFFAOYSA-N 0 0 340.840 4.497 10 0 EIAERN CC(C)(C)OC(=O)N1CC2(CC2)Oc2cc(Br)ccc21 ZINC000725260593 563984047 /nfs/dbraw/zinc/98/40/47/563984047.db2.gz UDUHLVZJOAVDIE-UHFFFAOYSA-N 0 0 340.217 4.116 10 0 EIAERN CC1=NN(c2ccccc2)[C@@H]2OC(C)(C)[C@@H]3COc4ccccc4[C@H]3[C@H]12 ZINC000257173272 563984207 /nfs/dbraw/zinc/98/42/07/563984207.db2.gz IBROMFNXVVTFTM-GFOJFJKKSA-N 0 0 348.446 4.426 10 0 EIAERN Cc1cccc(CN2CC(C)(C)OC(C)(C)C2)c1Br ZINC000725262843 563986360 /nfs/dbraw/zinc/98/63/60/563986360.db2.gz YSTINSWUBGVQNK-UHFFFAOYSA-N 0 0 326.278 4.147 10 0 EIAERN C[C@H]1CC[C@@](O)(c2cc(Br)cc(Br)c2)C1 ZINC000521401877 564073852 /nfs/dbraw/zinc/07/38/52/564073852.db2.gz SASAETDFIRJKOL-UFBFGSQYSA-N 0 0 334.051 4.219 10 0 EIAERN CCCCOc1ccc(-c2nnc([C@@H]3CCCCO3)o2)cc1OC ZINC000521393897 564090879 /nfs/dbraw/zinc/09/08/79/564090879.db2.gz NETPHCUVIYSNFV-HNNXBMFYSA-N 0 0 332.400 4.166 10 0 EIAERN CC[C@H](C)NC(=O)c1c(C)onc1-c1ccc(Br)s1 ZINC000064820073 564096592 /nfs/dbraw/zinc/09/65/92/564096592.db2.gz AXLHAFFPDIXHOL-ZETCQYMHSA-N 0 0 343.246 4.002 10 0 EIAERN C[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4Cc5n[nH]cc5C[C@]4(C)[C@H]3CC[C@]21C ZINC000256762615 564120572 /nfs/dbraw/zinc/12/05/72/564120572.db2.gz LKAJKIOFIWVMDJ-ADDDSGAWSA-N 0 0 328.500 4.118 10 0 EIAERN CC1=C(C#N)[C@H](c2cc(Br)cs2)C2=C(CCCC2=O)N1 ZINC000048534498 564129319 /nfs/dbraw/zinc/12/93/19/564129319.db2.gz NHQRJVDYUSHESC-CQSZACIVSA-N 0 0 349.253 4.002 10 0 EIAERN CC[C@H](C)C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 ZINC000685961998 564177224 /nfs/dbraw/zinc/17/72/24/564177224.db2.gz QWTAXGQEOINPFL-ZOBUZTSGSA-N 0 0 349.471 4.100 10 0 EIAERN C[C@H](CCNC(=O)OC(C)(C)C)C(=O)CCCOCc1ccccc1 ZINC000406014577 564177645 /nfs/dbraw/zinc/17/76/45/564177645.db2.gz BXORZGGIHGTPHR-MRXNPFEDSA-N 0 0 349.471 4.103 10 0 EIAERN C[C@H](NC(=O)N1CCC[C@@H]1Cc1ccccc1Cl)c1ccncc1 ZINC000056552288 1032088955 /nfs/dbraw/zinc/08/89/55/1032088955.db2.gz KFAWZYDRUKFMSJ-WMLDXEAASA-N 0 0 343.858 4.213 10 0 EIAERN O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113895568 1021165040 /nfs/dbraw/zinc/16/50/40/1021165040.db2.gz MCNZXBDBSGGEOP-HXUWFJFHSA-N 0 0 348.450 4.137 10 0 EIAERN O=C(c1csc2ccccc12)N1CCC[C@H](c2nccs2)C1 ZINC000109052975 1023239851 /nfs/dbraw/zinc/23/98/51/1023239851.db2.gz DKSYQZZIEKIBCH-LBPRGKRZSA-N 0 0 328.462 4.378 10 0 EIAERN O=C(c1cccc(OC2CCCC2)c1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113885270 1027838046 /nfs/dbraw/zinc/83/80/46/1027838046.db2.gz BEAHZZXRKYDRPK-IBGZPJMESA-N 0 0 339.439 4.099 10 0 EIAERN CSCc1ccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000114814119 1029624231 /nfs/dbraw/zinc/62/42/31/1029624231.db2.gz WJJIAEVJNCLHCN-CQSZACIVSA-N 0 0 347.509 4.418 10 0 EIAERN C[C@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1ccccc1Cl ZINC000114819260 1029630672 /nfs/dbraw/zinc/63/06/72/1029630672.db2.gz BBODVCKFZMLMIB-STQMWFEESA-N 0 0 349.887 4.447 10 0 EIAERN O=C(c1cc(F)c(Cl)cc1F)N1CCC[C@H](c2nccs2)C1 ZINC000122056832 1030613389 /nfs/dbraw/zinc/61/33/89/1030613389.db2.gz IZUWSQHBQJRKLL-VIFPVBQESA-N 0 0 342.798 4.095 10 0 EIAERN O=C(Nc1cccc(-c2ncon2)c1)c1ccc(SC(F)F)cc1 ZINC000101525630 1030692918 /nfs/dbraw/zinc/69/29/18/1030692918.db2.gz PPMBIHDNNQXLIY-UHFFFAOYSA-N 0 0 347.346 4.304 10 0 EIAERN Cc1csc(C2CCN(C(=O)C[C@H](C)c3cccc(F)c3)CC2)n1 ZINC000116187715 1030767242 /nfs/dbraw/zinc/76/72/42/1030767242.db2.gz BGNWCEUHBNTNKU-ZDUSSCGKSA-N 0 0 346.471 4.490 10 0 EIAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cccn3C(C)C)C2)cc1 ZINC000122470807 1030831611 /nfs/dbraw/zinc/83/16/11/1030831611.db2.gz VQMCVEVZQOATQO-DOTOQJQBSA-N 0 0 326.440 4.096 10 0 EIAERN COc1ccc(CCC(=O)N2CC=C(c3cccs3)CC2)cc1F ZINC000117722900 1031207641 /nfs/dbraw/zinc/20/76/41/1031207641.db2.gz HTFZSMHJCHHLQI-UHFFFAOYSA-N 0 0 345.439 4.144 10 0 EIAERN O=C(c1ccc(C(F)(F)F)nc1)N1CC=C(c2cccs2)CC1 ZINC000117722840 1031208513 /nfs/dbraw/zinc/20/85/13/1031208513.db2.gz OPDFPAWRIKZCBF-UHFFFAOYSA-N 0 0 338.354 4.091 10 0 EIAERN O=C(c1cccc(OC(F)F)c1)N1CC=C(c2cccs2)CC1 ZINC000117724491 1031209337 /nfs/dbraw/zinc/20/93/37/1031209337.db2.gz UCHUBDWIRKRABQ-UHFFFAOYSA-N 0 0 335.375 4.279 10 0 EIAERN CC(C)(C)c1ncc(NC(=O)N2CC=C(c3cccs3)CC2)cn1 ZINC000118016730 1031398844 /nfs/dbraw/zinc/39/88/44/1031398844.db2.gz SSDLCMMULWZRPA-UHFFFAOYSA-N 0 0 342.468 4.157 10 0 EIAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3nccc4ccccc43)C2)cc1 ZINC000121186503 1031437046 /nfs/dbraw/zinc/43/70/46/1031437046.db2.gz UNVYGLFRMIAIEW-CRAIPNDOSA-N 0 0 346.430 4.262 10 0 EIAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3nccc4ccccc43)C2)cc1 ZINC000121186663 1031437199 /nfs/dbraw/zinc/43/71/99/1031437199.db2.gz UNVYGLFRMIAIEW-MAUKXSAKSA-N 0 0 346.430 4.262 10 0 EIAERN Cc1cc(Cl)c2c(c1)[C@H](NCc1nccn1C(F)F)CCCO2 ZINC000126614757 1031657084 /nfs/dbraw/zinc/65/70/84/1031657084.db2.gz PATIJRPHJMFPEV-CYBMUJFWSA-N 0 0 341.789 4.244 10 0 EIAERN Cc1csc(C2CCN(C(=O)[C@@H]3C[C@H]3c3sccc3C)CC2)n1 ZINC000119312356 1031871824 /nfs/dbraw/zinc/87/18/24/1031871824.db2.gz RAMPLPWMJHFCND-HUUCEWRRSA-N 0 0 346.521 4.331 10 0 EIAERN CC[C@H](NC(=O)NC1CCN(c2cccs2)CC1)c1cccs1 ZINC000120010028 1032008960 /nfs/dbraw/zinc/00/89/60/1032008960.db2.gz HRXSIPMZBGSKDJ-AWEZNQCLSA-N 0 0 349.525 4.229 10 0 EIAERN CC[C@@H](NC(=O)Cc1coc(-c2ccc(F)cc2)n1)c1cccs1 ZINC000113034081 1034150228 /nfs/dbraw/zinc/15/02/28/1034150228.db2.gz AWIWACNJPTWXFE-OAHLLOKOSA-N 0 0 344.411 4.352 10 0 EIAERN Clc1ccc([C@H](NCc2cccc3[nH]ccc32)c2ncon2)cc1 ZINC000090202502 1039202241 /nfs/dbraw/zinc/20/22/41/1039202241.db2.gz NXFWPKBZSIAVIU-KRWDZBQOSA-N 0 0 338.798 4.084 10 0 EIAERN O=C(Nc1ccc2c(c1)COC2)N[C@@H]1CCCc2cc(F)ccc21 ZINC000092169072 1042832045 /nfs/dbraw/zinc/83/20/45/1042832045.db2.gz VDMFDPIMXYFSIU-GOSISDBHSA-N 0 0 326.371 4.055 10 0 EIAERN O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCC[C@@H](c2nccs2)C1 ZINC000067048494 1045739703 /nfs/dbraw/zinc/73/97/03/1045739703.db2.gz SWPFAWBHQWFDEZ-GFCCVEGCSA-N 0 0 345.855 4.298 10 0 EIAERN CC[C@@H](NC(=O)N1CCO[C@@H](c2cccc(F)c2)C1)c1cccs1 ZINC000067406597 1045740995 /nfs/dbraw/zinc/74/09/95/1045740995.db2.gz DRWRZHBOJPNTJB-HZPDHXFCSA-N 0 0 348.443 4.121 10 0 EIAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccc4ncccc4c3)C2)cc1 ZINC000078187050 1046008892 /nfs/dbraw/zinc/00/88/92/1046008892.db2.gz ZLYUIJGQZSMEBO-KXBFYZLASA-N 0 0 346.430 4.262 10 0 EIAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccc4ncccc4c3)C2)cc1 ZINC000078187054 1046009224 /nfs/dbraw/zinc/00/92/24/1046009224.db2.gz ZLYUIJGQZSMEBO-HNAYVOBHSA-N 0 0 346.430 4.262 10 0 EIAERN Cc1csc([S@@](=O)Cc2ncc(-c3ccccc3Cl)o2)n1 ZINC000083077304 1047811558 /nfs/dbraw/zinc/81/15/58/1047811558.db2.gz DDGRIYYZRPCFSF-OAQYLSRUSA-N 0 0 338.841 4.068 10 0 EIAERN Cn1cccc1C(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000068932034 1055100426 /nfs/dbraw/zinc/10/04/26/1055100426.db2.gz DRQWLXULANWVRX-CQSZACIVSA-N 0 0 325.437 4.002 10 0 EIAERN C[C@@H](O)c1cc(Br)ccc1OCc1ccccc1F ZINC000052067923 214114689 /nfs/dbraw/zinc/11/46/89/214114689.db2.gz LVDXEBLESBTVCL-SNVBAGLBSA-N 0 0 325.177 4.221 10 0 EIAERN FC(F)(F)c1cc(Br)ccc1NCC1CCOCC1 ZINC000052172159 214121334 /nfs/dbraw/zinc/12/13/34/214121334.db2.gz XRGMKSFAJGECHC-UHFFFAOYSA-N 0 0 338.167 4.306 10 0 EIAERN CC(C)(C)OC(=O)N1CCc2[nH]c3c(cccc3C(F)(F)F)c2C1 ZINC000097673601 219045922 /nfs/dbraw/zinc/04/59/22/219045922.db2.gz SLXWTYZUBUTJED-UHFFFAOYSA-N 0 0 340.345 4.480 10 0 EIAERN O[C@H](Cc1ccc(Br)s1)Cc1ccc(F)cc1Cl ZINC000062607490 214724281 /nfs/dbraw/zinc/72/42/81/214724281.db2.gz VBKHPMUVQJDXRN-JTQLQIEISA-N 0 0 349.652 4.449 10 0 EIAERN Cc1nn(CCNc2ccccc2Cl)c(C)c1Br ZINC000053534967 214188061 /nfs/dbraw/zinc/18/80/61/214188061.db2.gz ZWSOGKSVPLICIO-UHFFFAOYSA-N 0 0 328.641 4.028 10 0 EIAERN O[C@@H](Cc1cc(Br)ccc1F)c1cc(F)cc(F)c1 ZINC000053786313 214198978 /nfs/dbraw/zinc/19/89/78/214198978.db2.gz UDHXDDCRDBXKDC-AWEZNQCLSA-N 0 0 331.131 4.143 10 0 EIAERN CC(C)(C)OC(=O)N[C@H](C(=O)c1ccc(Cl)cc1)C(C)(C)C ZINC000097757534 219054712 /nfs/dbraw/zinc/05/47/12/219054712.db2.gz ZOBLCQREMYEMEJ-CQSZACIVSA-N 0 0 325.836 4.462 10 0 EIAERN O=S(=O)(c1cc2ccccc2[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000097757751 219054803 /nfs/dbraw/zinc/05/48/03/219054803.db2.gz YLIUOSIZFANCMQ-UHFFFAOYSA-N 0 0 325.311 4.020 10 0 EIAERN CN[C@@H](c1ccccc1Br)c1cc(Cl)ccc1OC ZINC000055226938 214292421 /nfs/dbraw/zinc/29/24/21/214292421.db2.gz PULNQWDUBLWPSP-HNNXBMFYSA-N 0 0 340.648 4.420 10 0 EIAERN Nc1ccc2nc(NCc3ccc(Br)cc3)sc2c1 ZINC000063103393 214743500 /nfs/dbraw/zinc/74/35/00/214743500.db2.gz ZXKAMWMGKGEQEL-UHFFFAOYSA-N 0 0 334.242 4.253 10 0 EIAERN Cc1ccc([C@@H](C)NC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)o1 ZINC000056799069 214388719 /nfs/dbraw/zinc/38/87/19/214388719.db2.gz BLMVVTAURTZJKS-CXAGYDPISA-N 0 0 348.830 4.086 10 0 EIAERN C[C@@H](Cc1ccc(F)cc1)NC(=O)c1csc(Br)c1 ZINC000057829370 214455124 /nfs/dbraw/zinc/45/51/24/214455124.db2.gz ADMOWFRTWMSKAU-VIFPVBQESA-N 0 0 342.233 4.011 10 0 EIAERN COc1ccc(-n2c3ccccc3c(=O)nc2-c2ccccc2)cc1 ZINC000098180589 219086423 /nfs/dbraw/zinc/08/64/23/219086423.db2.gz IRJOJEXYXOSNTM-UHFFFAOYSA-N 0 0 328.371 4.061 10 0 EIAERN COc1cc(Cl)ccc1[C@H](O)Cc1ccc(Br)cc1 ZINC000062139082 214701988 /nfs/dbraw/zinc/70/19/88/214701988.db2.gz PFUGRFMPMGJQDB-CQSZACIVSA-N 0 0 341.632 4.387 10 0 EIAERN CS(=O)(=O)c1ccc(C2=C(c3ccc(F)c(F)c3)CCC2)cc1 ZINC000003814646 210077089 /nfs/dbraw/zinc/07/70/89/210077089.db2.gz XIBHRRPDZXYFCM-UHFFFAOYSA-N 0 0 334.387 4.463 10 0 EIAERN c1sc2c(c1-c1nn3c(nnc3-c3ccccc3)s1)CCCC2 ZINC000003651224 210071543 /nfs/dbraw/zinc/07/15/43/210071543.db2.gz DIQOEOQGMFJMBI-UHFFFAOYSA-N 0 0 338.461 4.460 10 0 aggregator EIAERN Cc1ccc(/C=C2/Sc3nnc(C(F)(F)Cl)n3N=C2C)s1 ZINC000002766504 209906544 /nfs/dbraw/zinc/90/65/44/209906544.db2.gz OZPCNAIPFXKTKU-WEVVVXLNSA-N 0 0 346.815 4.307 10 0 EIAERN CC(C)OC(=O)c1c(N)scc1-c1ccc(Br)s1 ZINC000103989767 219336020 /nfs/dbraw/zinc/33/60/20/219336020.db2.gz GGENHGQVNULXRN-UHFFFAOYSA-N 0 0 346.271 4.387 10 0 EIAERN CC(C)C1CCC(CO)(Nc2ccc(Br)cc2)CC1 ZINC000104031070 219340092 /nfs/dbraw/zinc/34/00/92/219340092.db2.gz IRFIUELHLJQWQK-UHFFFAOYSA-N 0 0 326.278 4.438 10 0 EIAERN CCCCC[C@@H](Nc1cccc(Br)c1)C(=O)OCC ZINC000104178316 219355738 /nfs/dbraw/zinc/35/57/38/219355738.db2.gz XTVYLIWJZFYHLI-CQSZACIVSA-N 0 0 328.250 4.373 10 0 EIAERN COc1ccc(-c2nc(Cl)cc(Cl)n2)cc1Br ZINC000104135144 219352081 /nfs/dbraw/zinc/35/20/81/219352081.db2.gz OXFZVPITABJBOB-UHFFFAOYSA-N 0 0 334.000 4.222 10 0 EIAERN CCc1cc(Br)ccc1OCC(=O)Nc1ccccc1 ZINC000040942385 213402396 /nfs/dbraw/zinc/40/23/96/213402396.db2.gz KEJCFPRAQNLSFC-UHFFFAOYSA-N 0 0 334.213 4.029 10 0 EIAERN CCCc1ccc(OCC(=O)Nc2ccccc2Br)cc1 ZINC000040880473 213397786 /nfs/dbraw/zinc/39/77/86/213397786.db2.gz HRJKCBGNNLUACC-UHFFFAOYSA-N 0 0 348.240 4.419 10 0 EIAERN CCOc1ccc(/C=C/C(=O)Oc2cccc(Cl)c2)cc1OC ZINC000040852938 213392558 /nfs/dbraw/zinc/39/25/58/213392558.db2.gz FJGLDQAEQJQNIE-CSKARUKUSA-N 0 0 332.783 4.366 10 0 EIAERN Nc1c(Nc2cc(F)ccc2F)ncnc1NC1CCCCCC1 ZINC000040800137 213389129 /nfs/dbraw/zinc/38/91/29/213389129.db2.gz MPSPMMUIUKVGBF-UHFFFAOYSA-N 0 0 333.386 4.215 10 0 EIAERN Cc1ccccc1Nc1ncnc(Nc2ccc(F)cc2F)c1N ZINC000040781237 213386089 /nfs/dbraw/zinc/38/60/89/213386089.db2.gz CFOZYHCXXPEEJL-UHFFFAOYSA-N 0 0 327.338 4.133 10 0 EIAERN Cc1ccc(Nc2ncnc(Oc3cccc4cccnc43)c2N)cc1 ZINC000040752142 213381347 /nfs/dbraw/zinc/38/13/47/213381347.db2.gz BFNNBQYZBUBDER-UHFFFAOYSA-N 0 0 343.390 4.451 10 0 EIAERN CN(c1ccccc1)c1ncnc(Nc2ccccc2Cl)c1N ZINC000040757737 213383950 /nfs/dbraw/zinc/38/39/50/213383950.db2.gz FLQFHYFCMCXUOM-UHFFFAOYSA-N 0 0 325.803 4.224 10 0 EIAERN CN(c1ccccc1)c1ncnc(Nc2cccc(Cl)c2)c1N ZINC000040757745 213382855 /nfs/dbraw/zinc/38/28/55/213382855.db2.gz VJEQDTSEJLVXIV-UHFFFAOYSA-N 0 0 325.803 4.224 10 0 EIAERN CCc1ccc(Nc2ncnc(Nc3cccnc3Cl)c2N)cc1 ZINC000040688592 213369906 /nfs/dbraw/zinc/36/99/06/213369906.db2.gz JXKQENDDHJLEGB-UHFFFAOYSA-N 0 0 340.818 4.157 10 0 EIAERN Cc1ccnc(Nc2ncnc(Oc3ccc4ccccc4c3)c2N)c1 ZINC000040687714 213369667 /nfs/dbraw/zinc/36/96/67/213369667.db2.gz GUJGFKCKNVMECM-UHFFFAOYSA-N 0 0 343.390 4.451 10 0 EIAERN COc1cccc(Nc2ncnc(Nc3cccc(Cl)c3)c2N)c1 ZINC000040688046 213369161 /nfs/dbraw/zinc/36/91/61/213369161.db2.gz IFJUZPUBBQLIFN-UHFFFAOYSA-N 0 0 341.802 4.208 10 0 EIAERN Cc1cccc(Nc2ncnc(Nc3ccc(F)c(Cl)c3)c2N)n1 ZINC000040685719 213369240 /nfs/dbraw/zinc/36/92/40/213369240.db2.gz GAZYPSJXOODYCT-UHFFFAOYSA-N 0 0 344.781 4.042 10 0 EIAERN Cc1ccc(C)c(Nc2ncnc(Nc3ccc(F)c(F)c3)c2N)c1 ZINC000040704701 213372087 /nfs/dbraw/zinc/37/20/87/213372087.db2.gz NEKGADYWOFKPGH-UHFFFAOYSA-N 0 0 341.365 4.441 10 0 EIAERN Cc1ccc2c(cccc2Nc2ncnc(NC3CCCCC3)c2N)n1 ZINC000040708798 213371599 /nfs/dbraw/zinc/37/15/99/213371599.db2.gz DSWBIPJGDDDVAC-UHFFFAOYSA-N 0 0 348.454 4.404 10 0 EIAERN Cc1cc(Nc2ncnc(Oc3cc(C)c(Cl)c(C)c3)c2N)no1 ZINC000040681101 213367785 /nfs/dbraw/zinc/36/77/85/213367785.db2.gz UTOFGWBQIVFOHP-UHFFFAOYSA-N 0 0 345.790 4.161 10 0 EIAERN CCN(c1ccccc1)c1ncnc(Nc2cc(C)ccc2OC)c1N ZINC000040679385 213368385 /nfs/dbraw/zinc/36/83/85/213368385.db2.gz KTAPBBCTJSVEIL-UHFFFAOYSA-N 0 0 349.438 4.277 10 0 EIAERN CCn1nc(Cc2ccc(Cl)c(Cl)c2)c2ccccc2c1=O ZINC000040564728 213351408 /nfs/dbraw/zinc/35/14/08/213351408.db2.gz HVDBMFKYUWWXMG-UHFFFAOYSA-N 0 0 333.218 4.314 10 0 EIAERN COc1ccc(CCn2c(C)nc3cc(Cl)ccc32)cc1OC ZINC000040406880 213299752 /nfs/dbraw/zinc/29/97/52/213299752.db2.gz PXBQHWFSGWIMIY-UHFFFAOYSA-N 0 0 330.815 4.258 10 0 EIAERN Cc1cc(Sc2nnc(NC(=O)C(C)C)s2)nc2ccccc12 ZINC000040400850 213297822 /nfs/dbraw/zinc/29/78/22/213297822.db2.gz SDCFYEAFLCWBCH-UHFFFAOYSA-N 0 0 344.465 4.140 10 0 EIAERN COc1ccc(C(=O)Nc2ccnc3c(C)c(Cl)ccc23)cc1 ZINC000040359233 213293961 /nfs/dbraw/zinc/29/39/61/213293961.db2.gz OQNHTZWMJIARPQ-UHFFFAOYSA-N 0 0 326.783 4.458 10 0 EIAERN CCCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccc(C)cc1 ZINC000040336363 213292558 /nfs/dbraw/zinc/29/25/58/213292558.db2.gz VMJQFYWSXDYQSG-FQEVSTJZSA-N 0 0 331.419 4.340 10 0 EIAERN CCCn1c(CNC(=O)c2ccccc2Cl)nc2ccccc21 ZINC000040277176 213287158 /nfs/dbraw/zinc/28/71/58/213287158.db2.gz BBYCENUDXCFJNV-UHFFFAOYSA-N 0 0 327.815 4.030 10 0 EIAERN CCC(=O)NCc1nc2ccccc2n1Cc1cccc2ccccc21 ZINC000040274400 213286848 /nfs/dbraw/zinc/28/68/48/213286848.db2.gz NUGLNFFTTKDARE-UHFFFAOYSA-N 0 0 343.430 4.264 10 0 EIAERN CC(C)CCn1c(CNC(=O)c2ccc(F)cc2)nc2ccccc21 ZINC000040280083 213286693 /nfs/dbraw/zinc/28/66/93/213286693.db2.gz XWENASYESOZDMH-UHFFFAOYSA-N 0 0 339.414 4.152 10 0 EIAERN Cc1ccccc1-c1nc2ccccc2n1CC(=O)N1CCCCCC1 ZINC000040239570 213285206 /nfs/dbraw/zinc/28/52/06/213285206.db2.gz AYXXTMVVKPMFKG-UHFFFAOYSA-N 0 0 347.462 4.414 10 0 EIAERN O=C(CCn1c2ccccc2nc1-c1ccccc1)N1CCCCCC1 ZINC000040239428 213284879 /nfs/dbraw/zinc/28/48/79/213284879.db2.gz SXDNBUVXFBXNFP-UHFFFAOYSA-N 0 0 347.462 4.496 10 0 EIAERN C/C=C/C(=O)NCCCCCc1nc2ccccc2n1CC(C)C ZINC000040219399 213282900 /nfs/dbraw/zinc/28/29/00/213282900.db2.gz MTMHTFJKOHRGCQ-ONNFQVAWSA-N 0 0 327.472 4.097 10 0 EIAERN CC(C)(C)C(=O)NCc1nc2ccccc2n1CCCc1ccccc1 ZINC000040190259 213280535 /nfs/dbraw/zinc/28/05/35/213280535.db2.gz NLGIWGNOTPKMPD-UHFFFAOYSA-N 0 0 349.478 4.331 10 0 EIAERN COc1cccc2c(C)cc(=O)n(CCOc3ccccc3Cl)c12 ZINC000040165950 213278298 /nfs/dbraw/zinc/27/82/98/213278298.db2.gz ZBIOJYYMZDKQGB-UHFFFAOYSA-N 0 0 343.810 4.051 10 0 EIAERN Cc1ccc(NC(=O)c2cn(C)c3c(Cl)cccc3c2=O)c(C)c1 ZINC000039962966 213246757 /nfs/dbraw/zinc/24/67/57/213246757.db2.gz BWINPPHUZQKVQG-UHFFFAOYSA-N 0 0 340.810 4.061 10 0 EIAERN O=Cc1cccc(-c2cc(Br)cc(Br)c2)n1 ZINC000039927771 213244026 /nfs/dbraw/zinc/24/40/26/213244026.db2.gz JHSASKDRPQGKBC-UHFFFAOYSA-N 0 0 341.002 4.086 10 0 EIAERN CCCCO[C@H](C(=O)c1ccc(Cl)cc1Cl)n1ccnc1 ZINC000039139929 213231420 /nfs/dbraw/zinc/23/14/20/213231420.db2.gz DTCBDIOPEGXSGI-OAHLLOKOSA-N 0 0 327.211 4.388 10 0 EIAERN C[C@H](Nc1ccccc1-n1ccnn1)c1ccc(Br)s1 ZINC000038002483 213186944 /nfs/dbraw/zinc/18/69/44/213186944.db2.gz IRUGGZMLAGTNHB-JTQLQIEISA-N 0 0 349.257 4.264 10 0 EIAERN C[C@@H](Nc1ccc(-n2cncn2)cc1)c1ccc(Br)s1 ZINC000038003394 213186787 /nfs/dbraw/zinc/18/67/87/213186787.db2.gz WTYCXIXNIIQCNC-SNVBAGLBSA-N 0 0 349.257 4.264 10 0 EIAERN C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)c1cc(Cl)nc(Cl)c1)C2 ZINC000037980561 213181338 /nfs/dbraw/zinc/18/13/38/213181338.db2.gz XQKSWSUJAWEZJI-BDJLRTHQSA-N 0 0 327.255 4.429 10 0 EIAERN O=C([O-])[C@H]([NH2+]C1CCCCCC1)c1cc(Br)ccc1F ZINC000037972441 213177567 /nfs/dbraw/zinc/17/75/67/213177567.db2.gz RIFGHTTYRRKBJL-CQSZACIVSA-N 0 0 344.224 4.026 10 0 EIAERN COc1ccc(N)cc1COc1ccc(Cl)cc1Br ZINC000037011563 213130433 /nfs/dbraw/zinc/13/04/33/213130433.db2.gz UYIZDFSXZMMDGI-UHFFFAOYSA-N 0 0 342.620 4.272 10 0 EIAERN Cn1nc(-c2cccs2)c(-c2cccc(Br)c2)c1N ZINC000036765954 213117256 /nfs/dbraw/zinc/11/72/56/213117256.db2.gz NRAMYQOVEQHXFO-UHFFFAOYSA-N 0 0 334.242 4.160 10 0 EIAERN COc1ccc(C)c2sc(NC(=O)c3ccc(F)c(F)c3)nc21 ZINC000036695262 213110140 /nfs/dbraw/zinc/11/01/40/213110140.db2.gz ZSOAWKYNONIFEM-UHFFFAOYSA-N 0 0 334.347 4.144 10 0 EIAERN Cc1c(C(=O)Oc2ccc(Cl)cc2)nnn1-c1ccc(Cl)cc1 ZINC000036639034 213106723 /nfs/dbraw/zinc/10/67/23/213106723.db2.gz OFZRZBYZETZEJE-UHFFFAOYSA-N 0 0 348.189 4.102 10 0 EIAERN O=C(Nc1ccccc1OC1CCCC1)N[C@@H]1COc2ccccc21 ZINC000070039109 215669036 /nfs/dbraw/zinc/66/90/36/215669036.db2.gz JNUBADSNLPWRMD-QGZVFWFLSA-N 0 0 338.407 4.263 10 0 EIAERN C[C@@H](O)c1ccc(Oc2ccc(I)cc2)cc1 ZINC000035632505 213044191 /nfs/dbraw/zinc/04/41/91/213044191.db2.gz ZKRBXQMEJZEQKN-SNVBAGLBSA-N 0 0 340.160 4.137 10 0 EIAERN Clc1cccc(NCc2cc3c(cc2Br)OCO3)c1 ZINC000035116472 213009630 /nfs/dbraw/zinc/00/96/30/213009630.db2.gz SCCGWRSJFOWAGI-UHFFFAOYSA-N 0 0 340.604 4.443 10 0 EIAERN Clc1cncc(Cl)c1-c1nccn1CCCOc1cccnc1 ZINC000071759617 215814629 /nfs/dbraw/zinc/81/46/29/215814629.db2.gz MHETXXPPDRAFCY-UHFFFAOYSA-N 0 0 349.221 4.116 10 0 EIAERN CN[C@H](c1ccoc1)c1cc(Cl)cc(Br)c1OC ZINC000035457949 213029939 /nfs/dbraw/zinc/02/99/39/213029939.db2.gz TXXFDVCNIYPMJI-GFCCVEGCSA-N 0 0 330.609 4.013 10 0 EIAERN C[C@@H](O)c1cccc(OCc2cc(Br)ccc2F)c1 ZINC000035627814 213043533 /nfs/dbraw/zinc/04/35/33/213043533.db2.gz QSMUYNABPRUSDZ-SNVBAGLBSA-N 0 0 325.177 4.221 10 0 EIAERN Cc1ccc(-c2ccc(C(=O)Nc3cc(C)cc(C)c3)c(=O)[nH]2)cc1 ZINC000072451054 216238690 /nfs/dbraw/zinc/23/86/90/216238690.db2.gz ZPANXXIKHGCNJL-UHFFFAOYSA-N 0 0 332.403 4.219 10 0 EIAERN Cc1cccc(Nc2nc3nccc(-c4ccc(F)cc4)c3c(=O)[nH]2)c1 ZINC000072440671 216235387 /nfs/dbraw/zinc/23/53/87/216235387.db2.gz LGTJWKKGNGQQGT-UHFFFAOYSA-N 0 0 346.365 4.176 10 0 EIAERN Cc1ccc(Nc2nc3nccc(-c4ccsc4)c3c(=O)[nH]2)c(C)c1 ZINC000072441178 216235575 /nfs/dbraw/zinc/23/55/75/216235575.db2.gz MTQQSQUADGKSJC-UHFFFAOYSA-N 0 0 348.431 4.407 10 0 EIAERN COCc1nn2c(nccc2-c2cccs2)c1-c1ccc(F)cc1 ZINC000072451920 216239423 /nfs/dbraw/zinc/23/94/23/216239423.db2.gz UAKQOBSHCJEFAR-UHFFFAOYSA-N 0 0 339.395 4.410 10 0 EIAERN Nc1nc(N)c2cc(Sc3ccc(Cl)c(Cl)c3)ccc2n1 ZINC000025968813 212503229 /nfs/dbraw/zinc/50/32/29/212503229.db2.gz QNNPAYVFMMNZIX-UHFFFAOYSA-N 0 0 337.235 4.252 10 0 EIAERN Nc1nc(COc2ccc3ccccc3c2Br)cs1 ZINC000038077726 213200341 /nfs/dbraw/zinc/20/03/41/213200341.db2.gz NKLSJJYECKPTPX-UHFFFAOYSA-N 0 0 335.226 4.220 10 0 EIAERN O=C(Nc1ccccc1)Oc1nsc(SCc2ccccc2)n1 ZINC000211301962 241081612 /nfs/dbraw/zinc/08/16/12/241081612.db2.gz WFNBDZYLBPOFJG-UHFFFAOYSA-N 0 0 343.433 4.441 10 0 EIAERN COc1cccc(Oc2cccc(C(=O)Nc3ccccc3F)n2)c1 ZINC000211682952 241084655 /nfs/dbraw/zinc/08/46/55/241084655.db2.gz URCQZYLHQVPFEY-UHFFFAOYSA-N 0 0 338.338 4.274 10 0 EIAERN Cc1ccc(C(=O)Nc2cnc(Oc3ccccc3F)nc2)c(C)c1 ZINC000224281955 241746372 /nfs/dbraw/zinc/74/63/72/241746372.db2.gz QRSPMQFWZDKWCK-UHFFFAOYSA-N 0 0 337.354 4.277 10 0 EIAERN COc1cc(N)cc(Cl)c1NC(=O)c1ccc(Cl)cc1Cl ZINC000227146776 242121628 /nfs/dbraw/zinc/12/16/28/242121628.db2.gz CTIQFABCNVNISX-UHFFFAOYSA-N 0 0 345.613 4.490 10 0 EIAERN Cc1ccccc1-c1nc2ccc(N(C)C(=O)C(F)(F)F)cc2o1 ZINC000226269925 242092949 /nfs/dbraw/zinc/09/29/49/242092949.db2.gz NLWHKWITIUEGRM-UHFFFAOYSA-N 0 0 334.297 4.328 10 0 EIAERN CN(C(=O)c1ccc(-c2ccc(Cl)cc2N)o1)c1ccccc1 ZINC000226303833 242096687 /nfs/dbraw/zinc/09/66/87/242096687.db2.gz HBPALNFHOJHHRP-UHFFFAOYSA-N 0 0 326.783 4.459 10 0 EIAERN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(-c3ccc(N)cc3Cl)o2)C1 ZINC000226301633 242097034 /nfs/dbraw/zinc/09/70/34/242097034.db2.gz CVCZAYSILQJSHN-VXGBXAGGSA-N 0 0 332.831 4.300 10 0 EIAERN Nc1nc2c(cc(NC(=O)c3cccc(Cl)c3)cc2Cl)s1 ZINC000226310432 242097067 /nfs/dbraw/zinc/09/70/67/242097067.db2.gz SXWLHMQPNJZDPP-UHFFFAOYSA-N 0 0 338.219 4.438 10 0 EIAERN Cc1cc(N)c(NC(=O)c2ccccc2Cl)cc1N1CCCC1 ZINC000226330604 242098758 /nfs/dbraw/zinc/09/87/58/242098758.db2.gz CTAJFZGQWXAEGB-UHFFFAOYSA-N 0 0 329.831 4.083 10 0 EIAERN CCC(CC)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1O ZINC000021126130 212210589 /nfs/dbraw/zinc/21/05/89/212210589.db2.gz LKEALBMOWUQEPW-UHFFFAOYSA-N 0 0 332.425 4.081 10 0 EIAERN COc1ccc(Cl)cc1NC(=O)NCCc1csc(C)c1C ZINC000021088253 212204838 /nfs/dbraw/zinc/20/48/38/212204838.db2.gz DGXDUICIYYRATR-UHFFFAOYSA-N 0 0 338.860 4.391 10 0 EIAERN O=C(Nc1ccccc1)N1CCn2cccc2[C@H]1Cc1ccccc1 ZINC000021051372 212203801 /nfs/dbraw/zinc/20/38/01/212203801.db2.gz DCBMWWDYZZONGA-HXUWFJFHSA-N 0 0 331.419 4.320 10 0 EIAERN COc1ccc([C@H](CC(=O)Nc2ccccc2F)n2cccc2)cc1 ZINC000020997490 212196125 /nfs/dbraw/zinc/19/61/25/212196125.db2.gz QUCNMSNSQGQYAX-IBGZPJMESA-N 0 0 338.382 4.254 10 0 EIAERN Cc1ccccc1-n1cc(-c2ccnc(NCc3ccsc3)n2)cn1 ZINC000020860088 212177042 /nfs/dbraw/zinc/17/70/42/212177042.db2.gz YDFKEXPSTMGONK-UHFFFAOYSA-N 0 0 347.447 4.311 10 0 EIAERN Cc1cc([C@H](C)Nc2ncc(Br)cc2N)c(C)s1 ZINC000049506271 214013141 /nfs/dbraw/zinc/01/31/41/214013141.db2.gz ZLIUOEFWKRACPT-QMMMGPOBSA-N 0 0 326.263 4.278 10 0 EIAERN CC[C@@H](C)[C@@H](c1nc(CC(C)C)no1)N1Cc2ccccc2C1=O ZINC000019113725 212000604 /nfs/dbraw/zinc/00/06/04/212000604.db2.gz ZIZLUPLFYZUORW-DYVFJYSZSA-N 0 0 327.428 4.011 10 0 EIAERN Cc1ccc(NCC(=O)Nc2cccc(Br)c2)c(C)c1 ZINC000015085588 211801167 /nfs/dbraw/zinc/80/11/67/211801167.db2.gz HYLHGQHPXIIURY-UHFFFAOYSA-N 0 0 333.229 4.117 10 0 EIAERN FC(F)(F)CSc1nc2ncc(Br)cc2s1 ZINC000089229576 217777568 /nfs/dbraw/zinc/77/75/68/217777568.db2.gz JJYKOKMYZIXGJL-UHFFFAOYSA-N 0 0 329.166 4.108 10 0 EIAERN Clc1nc(Nc2ccccc2)nc2c1ncn2Cc1ccccc1 ZINC000090495419 217934042 /nfs/dbraw/zinc/93/40/42/217934042.db2.gz SJQKVGCPBDVUFK-UHFFFAOYSA-N 0 0 335.798 4.272 10 0 EIAERN Cc1c(C(=O)OC(C)C)sc2ncnc(Nc3cccc(O)c3)c12 ZINC000012084673 211288327 /nfs/dbraw/zinc/28/83/27/211288327.db2.gz AXVJALRFYCFWIU-UHFFFAOYSA-N 0 0 343.408 4.014 10 0 EIAERN O=C(Nc1nc(-c2ccccn2)cs1)[C@H]1C[C@H]1c1ccccc1F ZINC000009338504 211070713 /nfs/dbraw/zinc/07/07/13/211070713.db2.gz POMXKKUDLGDXBN-STQMWFEESA-N 0 0 339.395 4.086 10 0 EIAERN C=C1C(Nc2c(C)cccc2CC)=NS(=O)(=O)C1c1ccccc1 ZINC000009251872 211057706 /nfs/dbraw/zinc/05/77/06/211057706.db2.gz JOATZLCBXVSVFZ-UHFFFAOYSA-N 0 0 340.448 4.142 10 0 EIAERN Fc1cccc(Cl)c1Cn1c2ncccc2nc1C(F)(F)F ZINC000095077091 218273747 /nfs/dbraw/zinc/27/37/47/218273747.db2.gz MWJJILIVJFWEMX-UHFFFAOYSA-N 0 0 329.684 4.291 10 0 EIAERN CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1nsc2ccccc21 ZINC000095075329 218272865 /nfs/dbraw/zinc/27/28/65/218272865.db2.gz BIEJZXPNVALFEP-CYBMUJFWSA-N 0 0 347.484 4.132 10 0 EIAERN Fc1ccc(CNc2ncnc3onc(-c4ccc(F)cc4)c32)cc1 ZINC000008595938 210970334 /nfs/dbraw/zinc/97/03/34/210970334.db2.gz WSZQUEJBUYIEPS-UHFFFAOYSA-N 0 0 338.317 4.175 10 0 EIAERN Nc1ccc2c(c1)[C@H]1CC[C@@H]2N1c1ncc(C(F)(F)F)c(Cl)n1 ZINC000095938289 218452026 /nfs/dbraw/zinc/45/20/26/218452026.db2.gz ZBVFUWPCELISPO-NWDGAFQWSA-N 0 0 340.736 4.127 10 0 EIAERN CCCCN1C(=O)c2ccc(-c3nc4cc(C)ccc4o3)cc2C1=O ZINC000006756790 210703115 /nfs/dbraw/zinc/70/31/15/210703115.db2.gz AVPHSMGHAHUSMA-UHFFFAOYSA-N 0 0 334.375 4.199 10 0 EIAERN CC(C)c1sc(Cl)nc1C(=O)N[C@H](C)c1nc2ccccc2[nH]1 ZINC000334161388 258015792 /nfs/dbraw/zinc/01/57/92/258015792.db2.gz BFYLVPRWJSLEOK-SECBINFHSA-N 0 0 348.859 4.287 10 0 EIAERN COc1ccc(-c2nsc3c2ncnc3N2CCCC[C@@H]2C)cc1 ZINC000001370739 536547555 /nfs/dbraw/zinc/54/75/55/536547555.db2.gz NZHSKYSJBFOSKP-LBPRGKRZSA-N 0 0 340.452 4.141 10 0 EIAERN c1ccc2c(c1)nc1n2-c2nc3ccccc3n2-c2nc3ccccc3n2-1 ZINC000000352612 563290104 /nfs/dbraw/zinc/29/01/04/563290104.db2.gz JCTYEDJLEPLOAX-UHFFFAOYSA-N 0 0 348.369 4.017 10 0 EIAERN Cc1ccccc1[C@@H]1CCc2nc(C(=O)Nc3ccc(F)cc3)cn2C1 ZINC000034898576 563483239 /nfs/dbraw/zinc/48/32/39/563483239.db2.gz YBQQYOWKHBRZGQ-OAHLLOKOSA-N 0 0 349.409 4.313 10 0 EIAERN COc1ccc(OC)c(/C=C/C(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000007651822 563609088 /nfs/dbraw/zinc/60/90/88/563609088.db2.gz VKYZQNWVBOVCNI-RMKNXTFCSA-N 0 0 325.408 4.281 10 0 EIAERN C[C@@]12CC[C@H]3[C@@H](CC[C@H]4Cc5n[nH]cc5C[C@@]43C)[C@H]1CC[C@]2(C)O ZINC000000002077 563921701 /nfs/dbraw/zinc/92/17/01/563921701.db2.gz LKAJKIOFIWVMDJ-OROBAWOBSA-N 0 0 328.500 4.118 10 0 EIAERN CC[C@@H]1CCCCN1C(=O)c1cnn(-c2ccccc2)c1-n1cccc1 ZINC000015681228 564070765 /nfs/dbraw/zinc/07/07/65/564070765.db2.gz GHWUBFGYSTWZGD-QGZVFWFLSA-N 0 0 348.450 4.068 10 0 EIAERN C[C@H]1CC[C@](O)(c2cc(Br)cc(Br)c2)C1 ZINC000521401875 564073871 /nfs/dbraw/zinc/07/38/71/564073871.db2.gz SASAETDFIRJKOL-QPUJVOFHSA-N 0 0 334.051 4.219 10 0 EIAERN Cc1cc(C(C)(C)C)nc2cc(I)ccc12 ZINC000669372459 564084063 /nfs/dbraw/zinc/08/40/63/564084063.db2.gz PKSRVMJYVGBMHU-UHFFFAOYSA-N 0 0 325.193 4.445 10 0 EIAERN CC(=O)c1nnc(-c2cccc(C(F)(F)F)c2)cc1C(F)(F)F ZINC000536957938 564091778 /nfs/dbraw/zinc/09/17/78/564091778.db2.gz FLMAQWHGTZQVQC-UHFFFAOYSA-N 0 0 334.219 4.384 10 0 EIAERN CCCCSc1ccc(-n2nccc2-c2ccc(OC)cc2)nn1 ZINC000064755446 564095916 /nfs/dbraw/zinc/09/59/16/564095916.db2.gz DSZDMMDWLVMZSB-UHFFFAOYSA-N 0 0 340.452 4.230 10 0 EIAERN CCOc1ccc([C@H](C)NC(=O)c2ccc(-c3cccnc3)nc2)cc1 ZINC000065177889 564102332 /nfs/dbraw/zinc/10/23/32/564102332.db2.gz FJXAIBPMFQFKNS-HNNXBMFYSA-N 0 0 347.418 4.033 10 0 EIAERN C[C@H]1CCC[C@@]1(O)c1cc(Br)cc(Br)c1 ZINC000521401886 564118284 /nfs/dbraw/zinc/11/82/84/564118284.db2.gz SEBOYSIJLAZHOC-UFBFGSQYSA-N 0 0 334.051 4.219 10 0 EIAERN CCc1cc2c(cc1OC(C)=O)occ(-c1ccc(F)cc1)c2=O ZINC000048533756 564129328 /nfs/dbraw/zinc/12/93/28/564129328.db2.gz VLAAOAXWXKEVIE-UHFFFAOYSA-N 0 0 326.323 4.087 10 0 EIAERN COCC[C@@H](C)C(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960648 564177146 /nfs/dbraw/zinc/17/71/46/564177146.db2.gz WCUXPACERGMURY-MRXNPFEDSA-N 0 0 349.471 4.056 10 0 EIAERN COCC[C@H](C)C(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960647 564177172 /nfs/dbraw/zinc/17/71/72/564177172.db2.gz WCUXPACERGMURY-INIZCTEOSA-N 0 0 349.471 4.056 10 0 EIAERN Cc1oc(-c2ccccc2)nc1CCNC(=O)c1ccccc1Cl ZINC000062093946 1032141240 /nfs/dbraw/zinc/14/12/40/1032141240.db2.gz JHTVSRZISHZDKL-UHFFFAOYSA-N 0 0 340.810 4.276 10 0 EIAERN COc1ccc(NC(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@@H]2C)cc1 ZINC000120804747 1032446163 /nfs/dbraw/zinc/44/61/63/1032446163.db2.gz SZPMRVVOACRACC-HOCLYGCPSA-N 0 0 340.423 4.114 10 0 EIAERN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccc2nc(N(C)C)oc2c1 ZINC000125527542 1032806559 /nfs/dbraw/zinc/80/65/59/1032806559.db2.gz MRGJBTSJMCBLAH-IOASZLSFSA-N 0 0 342.443 4.079 10 0 EIAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Nc1cc(C)cc(C)c1 ZINC000114565349 1022172219 /nfs/dbraw/zinc/17/22/19/1022172219.db2.gz RUTZVKHVPWDSBS-KRWDZBQOSA-N 0 0 326.444 4.023 10 0 EIAERN O=C(Nc1cc(Cl)ccc1Cl)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000128208285 1023894377 /nfs/dbraw/zinc/89/43/77/1023894377.db2.gz BITCDUODBNDLLS-ZBEGNZNMSA-N 0 0 343.254 4.152 10 0 EIAERN O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128223652 1026364771 /nfs/dbraw/zinc/36/47/71/1026364771.db2.gz QGSPLGISLJGJMW-BDJLRTHQSA-N 0 0 343.254 4.152 10 0 EIAERN Cc1cc([C@@H](C)NC(=O)N2CCC[C@H](c3nccs3)C2)c(C)o1 ZINC000114826641 1027839928 /nfs/dbraw/zinc/83/99/28/1027839928.db2.gz FXAAQDXAZXMPRW-OCCSQVGLSA-N 0 0 333.457 4.003 10 0 EIAERN CSc1cccc(NC(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000114804397 1029613716 /nfs/dbraw/zinc/61/37/16/1029613716.db2.gz HHXCLDXKZWAHLM-LBPRGKRZSA-N 0 0 333.482 4.277 10 0 EIAERN O=C([C@H]1C[C@H]1c1ccc(F)c(F)c1)N1CC=C(c2cccs2)CC1 ZINC000117719192 1031208589 /nfs/dbraw/zinc/20/85/89/1031208589.db2.gz JOVIPMQLJAXUEB-GJZGRUSLSA-N 0 0 345.414 4.446 10 0 EIAERN c1csc(-c2noc(CN3CC=C(c4cccs4)CC3)n2)c1 ZINC000117894673 1031268504 /nfs/dbraw/zinc/26/85/04/1031268504.db2.gz TWRMWBILRGMFPZ-UHFFFAOYSA-N 0 0 329.450 4.149 10 0 EIAERN COc1cccc([C@@H]2C[C@@H]2C(=O)N2CC=C(c3ccccc3)CC2)c1 ZINC000106595172 1031274765 /nfs/dbraw/zinc/27/47/65/1031274765.db2.gz BFZRUZMYPXQRMP-SFTDATJTSA-N 0 0 333.431 4.115 10 0 EIAERN O=C(c1ccccc1F)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218361 1031359346 /nfs/dbraw/zinc/35/93/46/1031359346.db2.gz XEZIINVEGVZLEC-MRXNPFEDSA-N 0 0 349.409 4.236 10 0 EIAERN C[C@H](CC(=O)Nc1cccc(-c2ncon2)c1)c1cccc(F)c1 ZINC000116186408 1031384720 /nfs/dbraw/zinc/38/47/20/1031384720.db2.gz PKBBPCSWHLDVTI-GFCCVEGCSA-N 0 0 325.343 4.008 10 0 EIAERN Cc1[nH]c(=S)sc1CC(=O)N1CC=C(c2cccs2)CC1 ZINC000117857569 1031394525 /nfs/dbraw/zinc/39/45/25/1031394525.db2.gz JRQWCGAMQXKTPM-UHFFFAOYSA-N 0 0 336.507 4.034 10 0 EIAERN Cc1csc([C@@H](C)NC(=O)N2CC=C(c3cccs3)CC2)n1 ZINC000117964688 1031398372 /nfs/dbraw/zinc/39/83/72/1031398372.db2.gz CGAJFDYNQBZRFT-GFCCVEGCSA-N 0 0 333.482 4.073 10 0 EIAERN O=C(Nc1c(F)cccc1F)N1CC=C(c2ccccc2F)CC1 ZINC000119485967 1031413294 /nfs/dbraw/zinc/41/32/94/1031413294.db2.gz VGOIFGLTEAHIOT-UHFFFAOYSA-N 0 0 332.325 4.425 10 0 EIAERN CC(C)c1cccc2c1OCCC[C@@H]2NCc1nccn1C(F)F ZINC000122106823 1031445720 /nfs/dbraw/zinc/44/57/20/1031445720.db2.gz DYKSIZLJFCESJX-HNNXBMFYSA-N 0 0 335.398 4.405 10 0 EIAERN C[C@@H](NC(=O)[C@@]1(C)CC1(Cl)Cl)c1ncc(-c2ccccc2)o1 ZINC000126323142 1031644569 /nfs/dbraw/zinc/64/45/69/1031644569.db2.gz WAANWBIHULRWFI-MEBBXXQBSA-N 0 0 339.222 4.103 10 0 EIAERN Cc1cc(C)cc(CCC(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000128295977 1031734034 /nfs/dbraw/zinc/73/40/34/1031734034.db2.gz ROMPRJUELVCABZ-KRWDZBQOSA-N 0 0 328.481 4.099 10 0 EIAERN CCc1cccc(C)c1NC(=O)NC1CCN(c2cccs2)CC1 ZINC000128360058 1031735759 /nfs/dbraw/zinc/73/57/59/1031735759.db2.gz BVTXSUNEOQPSOL-UHFFFAOYSA-N 0 0 343.496 4.409 10 0 EIAERN CC[C@@H](NC(=O)N1CC=C(c2ccccc2)CC1)c1c(C)noc1C ZINC000129651752 1031808338 /nfs/dbraw/zinc/80/83/38/1031808338.db2.gz MXYHFOONIOKFMU-GOSISDBHSA-N 0 0 339.439 4.241 10 0 EIAERN CCOc1cccc(CN[C@H](c2ncon2)c2ccc(Cl)cc2)c1 ZINC000090202573 1039200673 /nfs/dbraw/zinc/20/06/73/1039200673.db2.gz CQCBAVMKXYUVDH-KRWDZBQOSA-N 0 0 343.814 4.001 10 0 EIAERN CCCC(=CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)CCC ZINC000092246888 1039508126 /nfs/dbraw/zinc/50/81/26/1039508126.db2.gz DPTVLTVRUXCTNM-UHFFFAOYSA-N 0 0 348.531 4.154 10 0 EIAERN O=C(c1ccccc1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113219162 1043296108 /nfs/dbraw/zinc/29/61/08/1043296108.db2.gz JCOGLSAOFDABQW-GOSISDBHSA-N 0 0 331.419 4.097 10 0 EIAERN O=Cc1ccc(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)cc1 ZINC000066615338 1045727858 /nfs/dbraw/zinc/72/78/58/1045727858.db2.gz FOYMFOFRWFDXOO-UHFFFAOYSA-N 0 0 348.377 4.049 10 0 EIAERN COc1ccccc1[C@H](C)CC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000067047992 1045736562 /nfs/dbraw/zinc/73/65/62/1045736562.db2.gz MXASMBFFTYXPRX-HUUCEWRRSA-N 0 0 344.480 4.052 10 0 EIAERN COc1ccccc1[C@@H](C)CC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000067047991 1045737153 /nfs/dbraw/zinc/73/71/53/1045737153.db2.gz MXASMBFFTYXPRX-LSDHHAIUSA-N 0 0 344.480 4.052 10 0 EIAERN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)N[C@@H](C)c2ccncc2)o1 ZINC000073487693 1045805603 /nfs/dbraw/zinc/80/56/03/1045805603.db2.gz BQDOPFKYOYXFPH-QRTARXTBSA-N 0 0 327.428 4.227 10 0 EIAERN Cc1csc([S@](=O)Cc2ncc(-c3ccccc3Cl)o2)n1 ZINC000083077307 1047811414 /nfs/dbraw/zinc/81/14/14/1047811414.db2.gz DDGRIYYZRPCFSF-NRFANRHFSA-N 0 0 338.841 4.068 10 0 EIAERN CCCc1nc(N)sc1Cc1cc(Br)ccc1F ZINC000050266682 214051996 /nfs/dbraw/zinc/05/19/96/214051996.db2.gz RFBVZFIFRLHBOQ-UHFFFAOYSA-N 0 0 329.238 4.170 10 0 EIAERN COc1ccc(Br)cc1-c1nc(C(C)(C)C)sc1N ZINC000050309296 214053722 /nfs/dbraw/zinc/05/37/22/214053722.db2.gz ARXYPVIZLXZFTK-UHFFFAOYSA-N 0 0 341.274 4.461 10 0 EIAERN CO[C@@H]1CCC[C@@H]1n1c(=S)[nH]c2cc(Br)ccc21 ZINC000050375530 214054020 /nfs/dbraw/zinc/05/40/20/214054020.db2.gz ZHIZMWYBERLINR-NWDGAFQWSA-N 0 0 327.247 4.201 10 0 EIAERN O=c1oc(-c2ccccc2Br)nc2cccc(Cl)c12 ZINC000053297420 214174714 /nfs/dbraw/zinc/17/47/14/214174714.db2.gz WXWVDINGZQKMMS-UHFFFAOYSA-N 0 0 336.572 4.271 10 0 EIAERN Cc1nn(CCNc2cccc(Br)c2)c(C)c1Cl ZINC000053536256 214188149 /nfs/dbraw/zinc/18/81/49/214188149.db2.gz CFBYVAJJJXCTMT-UHFFFAOYSA-N 0 0 328.641 4.028 10 0 EIAERN O[C@@H](Cc1ccc(Cl)s1)Cc1ccccc1Br ZINC000055335055 214309053 /nfs/dbraw/zinc/30/90/53/214309053.db2.gz OLPWJOWHRJIPFR-SNVBAGLBSA-N 0 0 331.662 4.310 10 0 EIAERN CC(C)(C)OC(=O)NCc1cccc(C(=O)Cc2ccccc2)c1 ZINC000098180683 219086499 /nfs/dbraw/zinc/08/64/99/219086499.db2.gz JNVJFSYDQJKFMC-UHFFFAOYSA-N 0 0 325.408 4.137 10 0 EIAERN Ic1cccc(COCCc2ccccc2)c1 ZINC000098178966 219086739 /nfs/dbraw/zinc/08/67/39/219086739.db2.gz XYNVUOUMFNKCQO-UHFFFAOYSA-N 0 0 338.188 4.051 10 0 EIAERN CSc1nnc(C)c(C=CNc2ccc(Cl)c(Cl)c2)n1 ZINC000100381384 219097988 /nfs/dbraw/zinc/09/79/88/219097988.db2.gz WHEXCLVRAWQHIT-WAYWQWQTSA-N 0 0 327.240 4.292 10 0 EIAERN CSCCn1c(C)c(C(=O)N2CCCC2)cc1-c1ccccc1 ZINC000004390780 210186630 /nfs/dbraw/zinc/18/66/30/210186630.db2.gz PDTLKURVULLWQT-UHFFFAOYSA-N 0 0 328.481 4.063 10 0 EIAERN CC(C)NC(=O)c1oc2cnccc2c1Nc1ccc(Cl)c(O)c1 ZINC000066073615 215007056 /nfs/dbraw/zinc/00/70/56/215007056.db2.gz OIRYQIYPLLNMQN-UHFFFAOYSA-N 0 0 345.786 4.069 10 0 EIAERN O=c1c2sccc2[nH]c(=S)n1-c1cc(Cl)cc(Cl)c1 ZINC000102263738 219193087 /nfs/dbraw/zinc/19/30/87/219193087.db2.gz BYAKMFFQQHDXCN-UHFFFAOYSA-N 0 0 329.233 4.043 10 0 EIAERN COc1ccc(OC)c(/C=C/C(=O)Nc2cc(Cl)ccc2OC)c1 ZINC000003549890 210051389 /nfs/dbraw/zinc/05/13/89/210051389.db2.gz MPKNCPVYKADCNV-RUDMXATFSA-N 0 0 347.798 4.018 10 0 EIAERN CCc1nc(-c2cc(Br)ccc2F)c(N)n1C(C)C ZINC000103501792 219308061 /nfs/dbraw/zinc/30/80/61/219308061.db2.gz BCLDZMXXALEKHN-UHFFFAOYSA-N 0 0 326.213 4.177 10 0 EIAERN CCOC(=O)c1sc(-c2ccc(Br)s2)c(C)c1N ZINC000103938730 219330451 /nfs/dbraw/zinc/33/04/51/219330451.db2.gz OHQFWPRURSCZLU-UHFFFAOYSA-N 0 0 346.271 4.306 10 0 EIAERN Fc1ccc2[nH]c(=S)n(-c3ccc(Br)cc3F)c2c1 ZINC000104161083 219354133 /nfs/dbraw/zinc/35/41/33/219354133.db2.gz DJXDSOWWCBFXPI-UHFFFAOYSA-N 0 0 341.180 4.355 10 0 EIAERN CCCCC[C@H](Nc1ccc(Br)cc1)C(=O)OCC ZINC000104177060 219355919 /nfs/dbraw/zinc/35/59/19/219355919.db2.gz YHYJTUXKLXHINQ-AWEZNQCLSA-N 0 0 328.250 4.373 10 0 EIAERN O=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccccc1Cl ZINC000040840570 213393067 /nfs/dbraw/zinc/39/30/67/213393067.db2.gz UEZAYXYPWHREFK-UHFFFAOYSA-N 0 0 340.762 4.154 10 0 EIAERN CC(=O)c1ccc(Nc2ncnc(Nc3ccc(C)cc3)c2N)cc1 ZINC000040782026 213385932 /nfs/dbraw/zinc/38/59/32/213385932.db2.gz DEFGVFJQUJOVHL-UHFFFAOYSA-N 0 0 333.395 4.057 10 0 EIAERN COc1ccc(Oc2ncnc(Sc3ccccc3)c2N)cc1 ZINC000040783256 213387095 /nfs/dbraw/zinc/38/70/95/213387095.db2.gz ZSLBMMOOLHAGGW-UHFFFAOYSA-N 0 0 325.393 4.011 10 0 EIAERN Cc1nc(Nc2ncnc(Nc3ccc(C)cc3C)c2N)sc1C ZINC000040755416 213383801 /nfs/dbraw/zinc/38/38/01/213383801.db2.gz MLWAODBYTFETRT-UHFFFAOYSA-N 0 0 340.456 4.236 10 0 EIAERN Nc1c(Nc2cccc3cccnc32)ncnc1Oc1ccccc1 ZINC000040758414 213382985 /nfs/dbraw/zinc/38/29/85/213382985.db2.gz LEXOGRDYXZEQEG-UHFFFAOYSA-N 0 0 329.363 4.143 10 0 EIAERN Nc1c(Nc2cccnc2)ncnc1Sc1ccc(Cl)cc1 ZINC000040723010 213376304 /nfs/dbraw/zinc/37/63/04/213376304.db2.gz UDTTYNWRYBQGBB-UHFFFAOYSA-N 0 0 329.816 4.002 10 0 EIAERN Nc1c(NCc2ccccc2)ncnc1Nc1cccc(Cl)c1 ZINC000040709292 213373388 /nfs/dbraw/zinc/37/33/88/213373388.db2.gz QYNMSEYKKYKTAV-UHFFFAOYSA-N 0 0 325.803 4.068 10 0 EIAERN Cc1ccc(Br)cc1Nc1ncc(Br)cn1 ZINC000104386518 219383213 /nfs/dbraw/zinc/38/32/13/219383213.db2.gz KAIPNLJBJMKVFD-UHFFFAOYSA-N 0 0 343.022 4.054 10 0 EIAERN Cc1ccc2cccc(Oc3ncnc(NC4CCCCC4)c3N)c2n1 ZINC000040708475 213371554 /nfs/dbraw/zinc/37/15/54/213371554.db2.gz OCIZOXZNOVFPRN-UHFFFAOYSA-N 0 0 349.438 4.452 10 0 EIAERN Cc1cccc(Nc2ncnc(Nc3cc(Cl)ccc3C)c2N)n1 ZINC000040685277 213368879 /nfs/dbraw/zinc/36/88/79/213368879.db2.gz JTGOWNNGVHQFQA-UHFFFAOYSA-N 0 0 340.818 4.211 10 0 EIAERN COc1cccc(Nc2ncnc(Nc3ccccc3Cl)c2N)c1 ZINC000040688042 213368938 /nfs/dbraw/zinc/36/89/38/213368938.db2.gz ONNVRUQOEVPAFH-UHFFFAOYSA-N 0 0 341.802 4.208 10 0 EIAERN COc1ccc(C)cc1Nc1ncnc(Nc2cccc(C)c2)c1N ZINC000040684336 213369158 /nfs/dbraw/zinc/36/91/58/213369158.db2.gz QEDGYEZYMAXBMM-UHFFFAOYSA-N 0 0 335.411 4.171 10 0 EIAERN CCCCNc1ncnc(Nc2ccc(OCCCC)cc2)c1N ZINC000040706485 213371790 /nfs/dbraw/zinc/37/17/90/213371790.db2.gz ZZTJQGJBPJBNII-UHFFFAOYSA-N 0 0 329.448 4.193 10 0 EIAERN COc1ccccc1Nc1ncnc(Nc2cc(C)ccc2C)c1N ZINC000040704542 213371874 /nfs/dbraw/zinc/37/18/74/213371874.db2.gz SCFOCLYGFWWDTE-UHFFFAOYSA-N 0 0 335.411 4.171 10 0 EIAERN Nc1c(NNc2ccccc2)ncnc1Oc1cccc2ccccc21 ZINC000040683138 213368554 /nfs/dbraw/zinc/36/85/54/213368554.db2.gz WTLAMRJVLCCZEC-UHFFFAOYSA-N 0 0 343.390 4.443 10 0 EIAERN COc1cc(/C=C/C(=O)Nc2ccccc2C)ccc1OC(C)C ZINC000001945338 209807591 /nfs/dbraw/zinc/80/75/91/209807591.db2.gz QOYXJXLQNKXBDZ-ZRDIBKRKSA-N 0 0 325.408 4.443 10 0 EIAERN OCCCn1c2ccc(C(F)(F)F)cc2nc1-c1cccs1 ZINC000040402203 213299346 /nfs/dbraw/zinc/29/93/46/213299346.db2.gz ZUXMWXURJMOBAI-UHFFFAOYSA-N 0 0 326.343 4.166 10 0 EIAERN Cc1c(Cl)ccc2c(O)c(C(=O)Nc3ccc(Cl)cc3)cnc12 ZINC000040359456 213293129 /nfs/dbraw/zinc/29/31/29/213293129.db2.gz DGDHWBXFNOXKFN-UHFFFAOYSA-N 0 0 347.201 4.396 10 0 EIAERN CC(C)c1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1 ZINC000040295658 213290040 /nfs/dbraw/zinc/29/00/40/213290040.db2.gz YPVHMQZODKGOPM-UHFFFAOYSA-N 0 0 327.815 4.452 10 0 EIAERN CC(C)OC(=O)Cn1c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000040249518 213284871 /nfs/dbraw/zinc/28/48/71/213284871.db2.gz PDVANUTYSMNXGM-UHFFFAOYSA-N 0 0 328.799 4.308 10 0 EIAERN O=Cc1cncc(-c2cc(Br)cc(Br)c2)c1 ZINC000039927583 213243221 /nfs/dbraw/zinc/24/32/21/213243221.db2.gz MXOGWZVNZVEVGM-UHFFFAOYSA-N 0 0 341.002 4.086 10 0 EIAERN CN(c1nsc2ccccc21)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000039325986 213235138 /nfs/dbraw/zinc/23/51/38/213235138.db2.gz JZXBPJQUKZFWME-UHFFFAOYSA-N 0 0 347.484 4.132 10 0 EIAERN CCOc1ncccc1N[C@H](C)c1ccc(Br)s1 ZINC000038002766 213186933 /nfs/dbraw/zinc/18/69/33/213186933.db2.gz FVUHAYIIYIEGKO-SECBINFHSA-N 0 0 327.247 4.477 10 0 EIAERN CCN(Cc1ccc(Br)s1)C(=O)c1ccccc1F ZINC000037976500 213179994 /nfs/dbraw/zinc/17/99/94/213179994.db2.gz VDWWKTXMPBNKFQ-UHFFFAOYSA-N 0 0 342.233 4.312 10 0 EIAERN CC(C)c1cc(NC(=O)c2cc(Br)ccc2Cl)on1 ZINC000037976854 213180050 /nfs/dbraw/zinc/18/00/50/213180050.db2.gz QZSCHZGZQRKRJK-UHFFFAOYSA-N 0 0 343.608 4.466 10 0 EIAERN C[C@H](NC(=O)c1cc(Br)ccc1Cl)c1ccco1 ZINC000037977077 213179800 /nfs/dbraw/zinc/17/98/00/213179800.db2.gz SBAMEHNQNRWWQE-QMMMGPOBSA-N 0 0 328.593 4.187 10 0 EIAERN CCSc1ccccc1NC(=O)c1cc(Br)c[nH]1 ZINC000037790938 213166886 /nfs/dbraw/zinc/16/68/86/213166886.db2.gz AAEQLODAXGNWRD-UHFFFAOYSA-N 0 0 325.231 4.142 10 0 EIAERN CCOC(=O)c1sc(-c2ccc(F)cc2Br)cc1N ZINC000037337711 213140677 /nfs/dbraw/zinc/14/06/77/213140677.db2.gz BUGUJCFHBNEZLX-UHFFFAOYSA-N 0 0 344.205 4.076 10 0 EIAERN Cc1ccsc1-c1[nH]nc(N)c1-c1ccc(Br)cc1 ZINC000037348667 213140194 /nfs/dbraw/zinc/14/01/94/213140194.db2.gz GZCSGAVVROXWER-UHFFFAOYSA-N 0 0 334.242 4.458 10 0 EIAERN Brc1cc(CNc2ccccc2-n2ccnc2)cs1 ZINC000036920405 213126416 /nfs/dbraw/zinc/12/64/16/213126416.db2.gz LDAPVXOJGIPNFX-UHFFFAOYSA-N 0 0 334.242 4.308 10 0 EIAERN Cc1ccc(Nc2ccc(C(N)=S)cc2F)c(Br)c1 ZINC000036887140 213125168 /nfs/dbraw/zinc/12/51/68/213125168.db2.gz QPLWDZUQAFQANT-UHFFFAOYSA-N 0 0 339.233 4.274 10 0 EIAERN COc1ccc(Cc2sc(NC(=O)c3ccccc3)nc2C)cc1 ZINC000036639227 213106833 /nfs/dbraw/zinc/10/68/33/213106833.db2.gz SXBIOTDGXZRNED-UHFFFAOYSA-N 0 0 338.432 4.303 10 0 EIAERN Cc1c(C(=O)OC2CCCCC2)nnn1-c1cc(Cl)ccc1C ZINC000036639108 213105993 /nfs/dbraw/zinc/10/59/93/213105993.db2.gz SFWOMVVDSBOJCE-UHFFFAOYSA-N 0 0 333.819 4.027 10 0 EIAERN C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000036039772 213058023 /nfs/dbraw/zinc/05/80/23/213058023.db2.gz HGIVBARZLRINNV-GMXVVIOVSA-N 0 0 349.780 4.345 10 0 EIAERN CCOc1cccc2c1cc(C(=O)NC1CC1)n2Cc1ccccc1C ZINC000035927941 213051956 /nfs/dbraw/zinc/05/19/56/213051956.db2.gz RUWYIXSBIQAOBA-UHFFFAOYSA-N 0 0 348.446 4.289 10 0 EIAERN COC(=O)C[C@@H](C)Nc1c(Cl)cc(Br)cc1Cl ZINC000035748821 213048682 /nfs/dbraw/zinc/04/86/82/213048682.db2.gz XBIVZTHSUIYKME-ZCFIWIBFSA-N 0 0 341.032 4.119 10 0 EIAERN C[C@@H](O)c1ccc(OCc2cc(Br)ccc2F)cc1 ZINC000035626352 213044339 /nfs/dbraw/zinc/04/43/39/213044339.db2.gz OYFDMGBVZHCEKU-SNVBAGLBSA-N 0 0 325.177 4.221 10 0 EIAERN CN[C@@H](c1ccccc1Br)c1c(F)cc(F)cc1F ZINC000035469574 213031312 /nfs/dbraw/zinc/03/13/12/213031312.db2.gz WOPCNHHJIBGPIU-AWEZNQCLSA-N 0 0 330.147 4.175 10 0 EIAERN O=C(/C=C\c1ccc(OCCCF)cc1)NCc1ccc(Cl)cc1 ZINC000033919603 212970289 /nfs/dbraw/zinc/97/02/89/212970289.db2.gz ITVAFUIMSAPCBG-WDZFZDKYSA-N 0 0 347.817 4.408 10 0 EIAERN COc1ccc(/C=C2/SC(=N)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000033296138 212918399 /nfs/dbraw/zinc/91/83/99/212918399.db2.gz HPQQJBVQTKZCHH-OEQLELKQSA-N 0 0 338.432 4.368 10 0 EIAERN Clc1ccc(Nc2nccc(-c3ccc4c(c3)OCO4)n2)cc1 ZINC000072137476 216024799 /nfs/dbraw/zinc/02/47/99/216024799.db2.gz LZUVHLORMNUQJL-UHFFFAOYSA-N 0 0 325.755 4.269 10 0 EIAERN CCCC[C@@H](CC)C(=O)Nc1c(C)cc(Br)cc1N ZINC000036738927 213115144 /nfs/dbraw/zinc/11/51/44/213115144.db2.gz FHOWYORPARVYKJ-LLVKDONJSA-N 0 0 327.266 4.495 10 0 EIAERN CCOC(=O)c1cnc2cc(C(F)(F)F)c(Cl)cc2c1NC ZINC000072237289 216076569 /nfs/dbraw/zinc/07/65/69/216076569.db2.gz XWWNKNYQUZXRCX-UHFFFAOYSA-N 0 0 332.709 4.125 10 0 EIAERN c1ccc(CNc2nc(Nc3cccnc3)nc3ccccc32)cc1 ZINC000072260987 216085919 /nfs/dbraw/zinc/08/59/19/216085919.db2.gz YIORIHIOHBZCAC-UHFFFAOYSA-N 0 0 327.391 4.381 10 0 EIAERN CC(C)(C)c1cc(NC(=O)c2csc(Br)c2)on1 ZINC000037844081 213169950 /nfs/dbraw/zinc/16/99/50/213169950.db2.gz RXEWBVLQNVWJDS-UHFFFAOYSA-N 0 0 329.219 4.048 10 0 EIAERN CSc1nc2nccc(-c3ccc(OCc4ccccc4)cc3)n2n1 ZINC000072439811 216233447 /nfs/dbraw/zinc/23/34/47/216233447.db2.gz GLXFATIYWXRYIU-UHFFFAOYSA-N 0 0 348.431 4.092 10 0 EIAERN CCc1ccc(Nc2nc3nccc(-c4cccs4)c3c(=O)[nH]2)cc1 ZINC000072441138 216235558 /nfs/dbraw/zinc/23/55/58/216235558.db2.gz BZCCAOGVVOZPHV-UHFFFAOYSA-N 0 0 348.431 4.353 10 0 EIAERN COc1ccc(-c2ccnc3nc(-c4ccc(Cl)cc4)nn32)cc1 ZINC000072451469 216239638 /nfs/dbraw/zinc/23/96/38/216239638.db2.gz WPWJZZXDEMHZOU-UHFFFAOYSA-N 0 0 336.782 4.120 10 0 EIAERN CCCCNC(=O)c1ccc(-c2ccc(-c3ccccc3)cc2)[nH]c1=O ZINC000072451193 216240044 /nfs/dbraw/zinc/24/00/44/216240044.db2.gz RHCXTAVWXVLQOV-UHFFFAOYSA-N 0 0 346.430 4.239 10 0 EIAERN CCOC(=O)/C=C/c1ccnc2c1ccn2[Si](C)(C)C(C)(C)C ZINC000205018128 241041888 /nfs/dbraw/zinc/04/18/88/241041888.db2.gz ZIWRVSOEZIQVNI-CMDGGOBGSA-N 0 0 330.504 4.466 10 0 EIAERN NC(=S)c1cccnc1Oc1cc(Cl)c(Cl)cc1Cl ZINC000021812497 212253650 /nfs/dbraw/zinc/25/36/50/212253650.db2.gz AEXKKBZCWDDIBW-UHFFFAOYSA-N 0 0 333.627 4.468 10 0 EIAERN O=C(Nc1cnc(Oc2ccccc2F)nc1)c1cccc(Cl)c1 ZINC000224282691 241746492 /nfs/dbraw/zinc/74/64/92/241746492.db2.gz JGWWMIRQUZTHIJ-UHFFFAOYSA-N 0 0 343.745 4.314 10 0 EIAERN CC(C)Oc1ccc(C(=O)Nc2ccc(Br)cc2N)cc1 ZINC000226349555 242099827 /nfs/dbraw/zinc/09/98/27/242099827.db2.gz JMWVKXUFPBQEQU-UHFFFAOYSA-N 0 0 349.228 4.071 10 0 EIAERN Cc1cc(C)c(OCC(=O)Nc2ccc(Cl)cc2N)c(Cl)c1 ZINC000226359339 242101213 /nfs/dbraw/zinc/10/12/13/242101213.db2.gz GMUAOMCQOOUYDP-UHFFFAOYSA-N 0 0 339.222 4.210 10 0 EIAERN Nc1cccc(Cl)c1NC(=O)COc1ccc(Cl)cc1Cl ZINC000226359197 242101968 /nfs/dbraw/zinc/10/19/68/242101968.db2.gz WLZQEAMHDWETOU-UHFFFAOYSA-N 0 0 345.613 4.247 10 0 EIAERN COc1c(Cl)cc(C(=O)Nc2c(N)cccc2Cl)cc1Cl ZINC000226359175 242102291 /nfs/dbraw/zinc/10/22/91/242102291.db2.gz MMVKHUQSPQXRIL-UHFFFAOYSA-N 0 0 345.613 4.490 10 0 EIAERN COc1cc(N)ccc1NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000227147511 242122079 /nfs/dbraw/zinc/12/20/79/242122079.db2.gz FAPJKKGCYCTHQV-UHFFFAOYSA-N 0 0 342.782 4.443 10 0 EIAERN CCCOc1ccc(C(=O)Nc2ccc(N(CC)CC)c(N)c2)cc1 ZINC000226268002 242093053 /nfs/dbraw/zinc/09/30/53/242093053.db2.gz CSSJRLSOBWPZFO-UHFFFAOYSA-N 0 0 341.455 4.156 10 0 EIAERN Nc1ccc(N2CCCCC2)c(NC(=O)c2ccc(Cl)cc2)c1 ZINC000226255044 242093384 /nfs/dbraw/zinc/09/33/84/242093384.db2.gz FYMGOXQSXXKRHF-UHFFFAOYSA-N 0 0 329.831 4.165 10 0 EIAERN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc([C@@H](C)O)cc1 ZINC000226273292 242093409 /nfs/dbraw/zinc/09/34/09/242093409.db2.gz NJPLPHDANNQGSG-SECBINFHSA-N 0 0 340.206 4.308 10 0 EIAERN Cc1cc(N2Cc3ccccc3C2=O)ccc1NC(=O)c1cccs1 ZINC000226287659 242094353 /nfs/dbraw/zinc/09/43/53/242094353.db2.gz GFSARODLQBZXDV-UHFFFAOYSA-N 0 0 348.427 4.469 10 0 EIAERN Cc1ccc2oc(-c3ccc(N(C)C(=O)C(F)(F)F)cc3)nc2c1 ZINC000226281126 242095236 /nfs/dbraw/zinc/09/52/36/242095236.db2.gz YSMFVHXWSARKPE-UHFFFAOYSA-N 0 0 334.297 4.328 10 0 EIAERN NC(=O)c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 ZINC000226322060 242098710 /nfs/dbraw/zinc/09/87/10/242098710.db2.gz NOBDAJUPYZBQNL-UHFFFAOYSA-N 0 0 330.598 4.325 10 0 EIAERN Oc1ccccc1C1=N[C@@H](c2ccc(F)cc2)N[C@@H](c2cccnc2)C1 ZINC000021365588 212223469 /nfs/dbraw/zinc/22/34/69/212223469.db2.gz VAMQWRKAMNDGGA-NQIIRXRSSA-N 0 0 347.393 4.149 10 0 EIAERN CCC[C@H](C)C(=O)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1 ZINC000021126652 212210177 /nfs/dbraw/zinc/21/01/77/212210177.db2.gz BOWFLFMFYMPRIG-ZDUSSCGKSA-N 0 0 336.391 4.230 10 0 EIAERN CCC(CC)C(=O)Nc1ccc(NC(=O)c2ccccc2C)c(O)c1 ZINC000021145444 212211461 /nfs/dbraw/zinc/21/14/61/212211461.db2.gz RJSLZQOPMYFYOF-UHFFFAOYSA-N 0 0 340.423 4.328 10 0 EIAERN CCOc1ccc(NC(=O)NCCc2csc3c2CCCC3)cc1 ZINC000021088168 212204635 /nfs/dbraw/zinc/20/46/35/212204635.db2.gz NWHPOKFIFQODJW-UHFFFAOYSA-N 0 0 344.480 4.390 10 0 EIAERN Cc1cc(Br)c(NCC(F)(F)F)c(Br)c1 ZINC000020504195 212141815 /nfs/dbraw/zinc/14/18/15/212141815.db2.gz ATXJFZQIDTWXRF-UHFFFAOYSA-N 0 0 346.972 4.494 10 0 EIAERN CC(C)c1ccc(-c2csc3ncnc(NC[C@@H](C)O)c23)cc1 ZINC000020322172 212119710 /nfs/dbraw/zinc/11/97/10/212119710.db2.gz QKXVQGBXJVDSAK-GFCCVEGCSA-N 0 0 327.453 4.274 10 0 EIAERN CCN(CCO)c1nc(C)nc2scc(-c3ccc(Cl)cc3)c21 ZINC000020320437 212118788 /nfs/dbraw/zinc/11/87/88/212118788.db2.gz MWFFWFSGXJBVDE-UHFFFAOYSA-N 0 0 347.871 4.139 10 0 EIAERN Cc1ccc(C(=O)Nc2c(C)cc(Br)cc2C)c(O)c1 ZINC000020045915 212097901 /nfs/dbraw/zinc/09/79/01/212097901.db2.gz VUOTVTWPXNNWML-UHFFFAOYSA-N 0 0 334.213 4.332 10 0 EIAERN COc1cc(CNc2cc(F)ccc2C)cc(Br)c1O ZINC000019953162 212089606 /nfs/dbraw/zinc/08/96/06/212089606.db2.gz OXLUIXMLZOKCHI-UHFFFAOYSA-N 0 0 340.192 4.223 10 0 EIAERN CCc1ccc(Oc2ncnc(Oc3ccc(OC)cc3)c2N)cc1 ZINC000040801815 213387688 /nfs/dbraw/zinc/38/76/88/213387688.db2.gz FJHIHDNHRVZCJV-UHFFFAOYSA-N 0 0 337.379 4.214 10 0 EIAERN Nc1cc(NC(=O)c2cc(Br)ccc2F)ccc1Cl ZINC000019509907 212034902 /nfs/dbraw/zinc/03/49/02/212034902.db2.gz MERRKCQYVIHJIX-UHFFFAOYSA-N 0 0 343.583 4.076 10 0 EIAERN Brc1ccc2sc(NCc3nccs3)nc2c1 ZINC000049534228 214015872 /nfs/dbraw/zinc/01/58/72/214015872.db2.gz IYCDYAWHDLZOTD-UHFFFAOYSA-N 0 0 326.244 4.127 10 0 EIAERN CC[C@@H](C)[C@H](c1nc(CC(C)C)no1)N1Cc2ccccc2C1=O ZINC000019113720 212000992 /nfs/dbraw/zinc/00/09/92/212000992.db2.gz ZIZLUPLFYZUORW-CXAGYDPISA-N 0 0 327.428 4.011 10 0 EIAERN CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1cc(F)c(F)c(F)c1 ZINC000078483416 217060728 /nfs/dbraw/zinc/06/07/28/217060728.db2.gz HDWOBDTTZUJLNF-INIZCTEOSA-N 0 0 349.352 4.096 10 0 EIAERN N=C1S/C(=C\c2c[nH]c3ccccc23)C(=O)N1c1ccc(F)cc1 ZINC000015053504 211791948 /nfs/dbraw/zinc/79/19/48/211791948.db2.gz TXQWZAMRSNUMAA-FJUUSQFESA-N 0 0 337.379 4.363 10 0 EIAERN Clc1cc2[nH]c(Br)nc2c(Br)c1Cl ZINC000080738812 217329671 /nfs/dbraw/zinc/32/96/71/217329671.db2.gz BZTOIZVOLYGXOQ-UHFFFAOYSA-N 0 0 344.821 4.395 10 0 EIAERN COc1ccc(C(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)cc1Br ZINC000014798949 211764966 /nfs/dbraw/zinc/76/49/66/211764966.db2.gz VDNQNOJQQOEJBY-SUNKGSAMSA-N 0 0 340.261 4.012 10 0 EIAERN O=C(c1ccccc1Cl)[C@@H](O)c1ccc(Br)s1 ZINC000090549759 217939057 /nfs/dbraw/zinc/93/90/57/217939057.db2.gz ZIIZDLCHBUOWCN-LBPRGKRZSA-N 0 0 331.618 4.080 10 0 EIAERN CCCC(=O)NCc1cccc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000090416042 217928475 /nfs/dbraw/zinc/92/84/75/217928475.db2.gz RBDPWORPBAYNKI-UHFFFAOYSA-N 0 0 338.329 4.064 10 0 EIAERN C[C@H](Cc1cc(C(=O)NCc2cccc(F)c2)on1)c1ccccc1 ZINC000012036405 211282054 /nfs/dbraw/zinc/28/20/54/211282054.db2.gz IYAVLDJNHSCZOJ-CQSZACIVSA-N 0 0 338.382 4.090 10 0 EIAERN CC(C)(C)OC(=O)N1CCC(CCOc2nc3ccccc3o2)CC1 ZINC000095083775 218276046 /nfs/dbraw/zinc/27/60/46/218276046.db2.gz NENPBIQKRDHLKC-UHFFFAOYSA-N 0 0 346.427 4.244 10 0 EIAERN CC(C)(C)OC(=O)N1CCC[C@H](CCCOCc2ccncc2)C1 ZINC000095085094 218276525 /nfs/dbraw/zinc/27/65/25/218276525.db2.gz WOHIQMUBWULKOL-MRXNPFEDSA-N 0 0 334.460 4.026 10 0 EIAERN C[C@@H](OC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1nccs1 ZINC000095089354 218279527 /nfs/dbraw/zinc/27/95/27/218279527.db2.gz PKIJQMWPZSCRPS-OLZOCXBDSA-N 0 0 326.462 4.010 10 0 EIAERN CCc1ccc(C(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)cc1 ZINC000006619728 210663759 /nfs/dbraw/zinc/66/37/59/210663759.db2.gz LGDVKKYUENJZIE-UHFFFAOYSA-N 0 0 334.371 4.063 10 0 EIAERN Cc1cccc(Cl)c1OCC(O)COc1c(C)cccc1Cl ZINC000001745535 257911286 /nfs/dbraw/zinc/91/12/86/257911286.db2.gz LTZUNDGTKZEXKS-UHFFFAOYSA-N 0 0 341.234 4.429 10 0 EIAERN O=[N+]([O-])c1cnc2c(OC(F)(F)F)ccc(Cl)c2c1Cl ZINC000328218616 563876005 /nfs/dbraw/zinc/87/60/05/563876005.db2.gz XRSUWYNESZZSRR-UHFFFAOYSA-N 0 0 327.045 4.348 10 0 EIAERN O=C1/C(=C\c2ccncc2)SC(=S)N1c1ccccc1Cl ZINC000027533725 563920577 /nfs/dbraw/zinc/92/05/77/563920577.db2.gz UYSUJWWDKPANRE-UKTHLTGXSA-N 0 0 332.837 4.141 10 0 EIAERN Cc1cc(C2CCC2)nc(NCc2cc(-c3cccc(F)c3)no2)n1 ZINC000071498886 563964517 /nfs/dbraw/zinc/96/45/17/563964517.db2.gz IWSBDFRFQDJXBO-UHFFFAOYSA-N 0 0 338.386 4.459 10 0 EIAERN Cc1nc(COc2ccc(/C=C/C(=O)OC(C)(C)C)cc2)cs1 ZINC000725273943 563988793 /nfs/dbraw/zinc/98/87/93/563988793.db2.gz XFQUOYYCQSWAKP-JXMROGBWSA-N 0 0 331.437 4.385 10 0 EIAERN CCCCCC[C@@H](O)CC(=O)O[C@H](CCCCCC)CC(=O)OC ZINC000604381427 564034635 /nfs/dbraw/zinc/03/46/35/564034635.db2.gz RTRZNFRQFSTUCO-IAGOWNOFSA-N 0 0 344.492 4.153 10 0 EIAERN CC(C)c1[nH]nc(I)c1-c1ccc(Cl)cc1 ZINC000675076051 564050014 /nfs/dbraw/zinc/05/00/14/564050014.db2.gz JNBNMBGDUXORMA-UHFFFAOYSA-N 0 0 346.599 4.458 10 0 EIAERN C[C@@H](CC(=O)OCc1ccccc1)OCc1nc2ccccc2s1 ZINC000583652947 564075098 /nfs/dbraw/zinc/07/50/98/564075098.db2.gz JHPOGFOFGXKKMO-AWEZNQCLSA-N 0 0 341.432 4.335 10 0 EIAERN O=C(COc1ccccc1)Nc1cccc(-c2noc(C3CCC3)n2)c1 ZINC000035552316 564085253 /nfs/dbraw/zinc/08/52/53/564085253.db2.gz HTELKMIZZWHGLZ-UHFFFAOYSA-N 0 0 349.390 4.022 10 0 EIAERN Cc1cccc(-c2nccc([C@H]3CCCN(C(=O)C(C)(C)C)C3)n2)c1 ZINC000065135405 564101604 /nfs/dbraw/zinc/10/16/04/564101604.db2.gz DQDGNIISAAAKRG-KRWDZBQOSA-N 0 0 337.467 4.204 10 0 EIAERN CC(C)(C)CC(=O)N1CCC(CCOCc2cccc(F)c2)CC1 ZINC000065180396 564102319 /nfs/dbraw/zinc/10/23/19/564102319.db2.gz VNLFBRGGCKNXQM-UHFFFAOYSA-N 0 0 335.463 4.407 10 0 EIAERN CCN(C(=O)C(F)(F)F)c1ccc(N2CCC(C)CC2)c(C)c1 ZINC000226284842 564117306 /nfs/dbraw/zinc/11/73/06/564117306.db2.gz MHSLXZDHFCXFGX-UHFFFAOYSA-N 0 0 328.378 4.147 10 0 EIAERN CCc1ccc(C(=O)Nc2cc(N)ccc2N2CCCC[C@@H]2C)cc1 ZINC000226254503 564117239 /nfs/dbraw/zinc/11/72/39/564117239.db2.gz UMTWIGSBBVPNCV-HNNXBMFYSA-N 0 0 337.467 4.462 10 0 EIAERN CC[C@@H](C(=O)CCCOCc1ccccc1)N(C)C(=O)OC(C)(C)C ZINC000685960445 564177128 /nfs/dbraw/zinc/17/71/28/564177128.db2.gz MIWOKTBTTYYPJD-KRWDZBQOSA-N 0 0 349.471 4.198 10 0 EIAERN C[C@H](COCc1ccccc1)CC(=O)C(C)(C)NC(=O)OC(C)(C)C ZINC000685961233 564177174 /nfs/dbraw/zinc/17/71/74/564177174.db2.gz DPPUHQJDBBXJKK-HNNXBMFYSA-N 0 0 349.471 4.102 10 0 EIAERN C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)C(C)(C)C ZINC000685961881 564177180 /nfs/dbraw/zinc/17/71/80/564177180.db2.gz PTAAQXJEJOSQNA-GOEBONIOSA-N 0 0 349.471 4.100 10 0 EIAERN CC(C)CC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 ZINC000685961467 564177221 /nfs/dbraw/zinc/17/72/21/564177221.db2.gz IUJSHXRHBDEPHZ-YJBOKZPZSA-N 0 0 349.471 4.100 10 0 EIAERN CCN(CCC(=O)CCCOCc1ccccc1)C(=O)OC(C)(C)C ZINC000405477581 564177552 /nfs/dbraw/zinc/17/75/52/564177552.db2.gz QTDVCITYUYOVFH-UHFFFAOYSA-N 0 0 349.471 4.200 10 0 EIAERN O=C(Nc1ccncc1)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000056499819 1032085680 /nfs/dbraw/zinc/08/56/80/1032085680.db2.gz MCMKOQUTORIRSJ-UHFFFAOYSA-N 0 0 336.370 4.023 10 0 EIAERN Cc1ccc(-c2nc(CCNC(=O)Cc3cccs3)cs2)cc1 ZINC000060347978 1032127283 /nfs/dbraw/zinc/12/72/83/1032127283.db2.gz FVHPKIVAOLTVJJ-UHFFFAOYSA-N 0 0 342.489 4.081 10 0 EIAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(C)c(C)c1 ZINC000114564497 1022168890 /nfs/dbraw/zinc/16/88/90/1022168890.db2.gz VLSUYTRAMGTTDR-KRWDZBQOSA-N 0 0 326.444 4.023 10 0 EIAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Nc1cccc(C)c1C ZINC000114564430 1022170152 /nfs/dbraw/zinc/17/01/52/1022170152.db2.gz UTZLPQZVQRQTHQ-QGZVFWFLSA-N 0 0 326.444 4.023 10 0 EIAERN CCOc1ccc(NC(=O)N2CCC[C@H](c3nccs3)C2)c(C)c1 ZINC000114810854 1029620359 /nfs/dbraw/zinc/62/03/59/1029620359.db2.gz XBQNKYYRXBQAOH-AWEZNQCLSA-N 0 0 345.468 4.262 10 0 EIAERN O=C(Nc1cc(F)ccc1Cl)N1CCC[C@@H](c2nccs2)C1 ZINC000114814407 1029625968 /nfs/dbraw/zinc/62/59/68/1029625968.db2.gz BHGVXMBEOOOVKZ-SNVBAGLBSA-N 0 0 339.823 4.347 10 0 EIAERN CC(C)(CNC(=O)N1CCC[C@H](c2nccs2)C1)c1ccccc1 ZINC000114823152 1029639100 /nfs/dbraw/zinc/63/91/00/1029639100.db2.gz MPUBIFPAKYCPTE-HNNXBMFYSA-N 0 0 343.496 4.010 10 0 EIAERN Cc1ccc(C(=O)CCC(=O)N2CC=C(c3cccs3)CC2)s1 ZINC000117723077 1031210194 /nfs/dbraw/zinc/21/01/94/1031210194.db2.gz VTTUUBYNTKTTDM-UHFFFAOYSA-N 0 0 345.489 4.397 10 0 EIAERN CC[C@H](NC(=O)N1CC=C(c2cccs2)CC1)c1nc(C)cs1 ZINC000118072593 1031342121 /nfs/dbraw/zinc/34/21/21/1031342121.db2.gz MHEZUMZOCYUEKF-AWEZNQCLSA-N 0 0 347.509 4.463 10 0 EIAERN O[C@H](c1ccc(F)cc1)C1CCN(c2nc3cc(F)ccc3o2)CC1 ZINC000114449899 1031369874 /nfs/dbraw/zinc/36/98/74/1031369874.db2.gz ZGXZXJOTLNFXNJ-GOSISDBHSA-N 0 0 344.361 4.056 10 0 EIAERN Fc1ccc2oc(N3CCC(c4nc5ccccc5o4)CC3)nc2c1 ZINC000114446197 1031370739 /nfs/dbraw/zinc/37/07/39/1031370739.db2.gz ABYXLTOPMSBLOT-UHFFFAOYSA-N 0 0 337.354 4.492 10 0 EIAERN CCOc1cc(C)ccc1NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000114810415 1031373077 /nfs/dbraw/zinc/37/30/77/1031373077.db2.gz MSIQJPRYJQBLSL-CQSZACIVSA-N 0 0 345.468 4.262 10 0 EIAERN O=C(N[C@H]1CCCOc2ccccc21)N1CCC[C@H]1c1ccco1 ZINC000116426737 1031384970 /nfs/dbraw/zinc/38/49/70/1031384970.db2.gz WYUSJFBBWCCMNM-HOTGVXAUSA-N 0 0 326.396 4.040 10 0 EIAERN O=C(c1ccnc(OC2CCC2)c1)N1CC=C(c2cccs2)CC1 ZINC000090051443 1039173229 /nfs/dbraw/zinc/17/32/29/1039173229.db2.gz MGPNTJMPQWSMIW-UHFFFAOYSA-N 0 0 340.448 4.004 10 0 EIAERN CC(C)c1csc([C@H]2CCCN(Cc3noc(C(C)(C)C)n3)C2)n1 ZINC000127820575 1041997943 /nfs/dbraw/zinc/99/79/43/1041997943.db2.gz OHAVZGATSJTWED-ZDUSSCGKSA-N 0 0 348.516 4.327 10 0 EIAERN CC(C)(C)c1nnc(SCc2cc(Cl)cc3c2OCOC3)o1 ZINC000077244649 1042827054 /nfs/dbraw/zinc/82/70/54/1042827054.db2.gz JUMDNKKPZJDHKI-UHFFFAOYSA-N 0 0 340.832 4.179 10 0 EIAERN COc1ccccc1[C@H](C)CC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000067047990 1045735940 /nfs/dbraw/zinc/73/59/40/1045735940.db2.gz MXASMBFFTYXPRX-CABCVRRESA-N 0 0 344.480 4.052 10 0 EIAERN COc1ccccc1-c1noc(CN(C)[C@@H](C)c2ccccc2F)n1 ZINC000076720942 1045906690 /nfs/dbraw/zinc/90/66/90/1045906690.db2.gz ZEZXIMKNDCDULT-ZDUSSCGKSA-N 0 0 341.386 4.077 10 0 EIAERN CC(C)COc1ccc(NC(=O)[C@@H]2CCCn3ccnc32)cc1Cl ZINC000080542734 1046687470 /nfs/dbraw/zinc/68/74/70/1046687470.db2.gz YQIGKEPLZRINSP-CQSZACIVSA-N 0 0 347.846 4.087 10 0 EIAERN CC(C)COc1ccc(NC(=O)[C@H]2CCCn3ccnc32)cc1Cl ZINC000080542735 1046688366 /nfs/dbraw/zinc/68/83/66/1046688366.db2.gz YQIGKEPLZRINSP-AWEZNQCLSA-N 0 0 347.846 4.087 10 0 EIAERN CNc1cc(C(F)(F)F)nc2c(OC)ccc(Br)c12 ZINC000050871111 214071756 /nfs/dbraw/zinc/07/17/56/214071756.db2.gz XGRNTNKSTDSTRA-UHFFFAOYSA-N 0 0 335.123 4.066 10 0 EIAERN CC(C)n1cc(Br)cc1C(=O)N1CC[C@@H](C)C[C@@H]1C ZINC000051734362 214101678 /nfs/dbraw/zinc/10/16/78/214101678.db2.gz SCUHEGCQBNDRIG-NEPJUHHUSA-N 0 0 327.266 4.092 10 0 EIAERN COc1ccc([C@@]2(c3ccccc3)OC(=O)c3ccccc32)c(OC)c1 ZINC000004720852 210258983 /nfs/dbraw/zinc/25/89/83/210258983.db2.gz MKEWHFHXNVMHES-QFIPXVFZSA-N 0 0 346.382 4.166 10 0 EIAERN Cc1cc(Br)cc(N)c1NC(=O)C1CCCCCC1 ZINC000053713244 214195275 /nfs/dbraw/zinc/19/52/75/214195275.db2.gz ZTLNUDAVMKINCL-UHFFFAOYSA-N 0 0 325.250 4.249 10 0 EIAERN O[C@H](Cc1cc(Br)ccc1F)c1cc(F)cc(F)c1 ZINC000053786314 214199103 /nfs/dbraw/zinc/19/91/03/214199103.db2.gz UDHXDDCRDBXKDC-CQSZACIVSA-N 0 0 331.131 4.143 10 0 EIAERN Cc1ccc(NC2(C(=O)N(C)[C@H](C)c3nccs3)CCCC2)cc1 ZINC000055271829 214299439 /nfs/dbraw/zinc/29/94/39/214299439.db2.gz ZYFIJMCNCQZEQM-OAHLLOKOSA-N 0 0 343.496 4.396 10 0 EIAERN C[C@H](c1cccs1)N(C)Cc1ccc(N)cc1Br ZINC000049725951 214030525 /nfs/dbraw/zinc/03/05/25/214030525.db2.gz SDHGHTQFFFKCCV-SNVBAGLBSA-N 0 0 325.275 4.286 10 0 EIAERN Fc1ccc(-c2nnc(-c3nc(Cl)c4ccccc4n3)o2)cc1 ZINC000049455127 214009053 /nfs/dbraw/zinc/00/90/53/214009053.db2.gz ATYRVRXNTVFCMM-UHFFFAOYSA-N 0 0 326.718 4.139 10 0 EIAERN Fc1ccc(-c2csc3nnc(SCc4cccnc4)n23)cc1 ZINC000004093537 210119143 /nfs/dbraw/zinc/11/91/43/210119143.db2.gz DCWBIXZACNSWSV-UHFFFAOYSA-N 0 0 342.424 4.284 10 0 EIAERN CC[C@H](c1cccc(Cl)c1)n1nc(C)c(Br)c1N ZINC000043668366 213591683 /nfs/dbraw/zinc/59/16/83/213591683.db2.gz AXKIGDRFTZKVBY-LLVKDONJSA-N 0 0 328.641 4.189 10 0 EIAERN Cc1ccccc1NC(=O)c1cnc2cc(C(F)(F)F)ccc2c1O ZINC000041055810 213411319 /nfs/dbraw/zinc/41/13/19/213411319.db2.gz UWGZOPXHQHBCIO-UHFFFAOYSA-N 0 0 346.308 4.108 10 0 EIAERN COc1ccc(/C=C/C(=O)Nc2ccnc3ccc(C)cc32)cc1OC ZINC000041057289 213411121 /nfs/dbraw/zinc/41/11/21/213411121.db2.gz NQTSAKLDGFPFJB-RMKNXTFCSA-N 0 0 348.402 4.212 10 0 EIAERN CCOc1cc(Nc2cc(Br)ccc2F)ccc1N ZINC000104237063 219364071 /nfs/dbraw/zinc/36/40/71/219364071.db2.gz LXYHPSNXKFDNLW-UHFFFAOYSA-N 0 0 325.181 4.313 10 0 EIAERN O[C@H](Cc1cc(F)ccc1Br)c1cc(F)ccc1F ZINC000104246171 219365512 /nfs/dbraw/zinc/36/55/12/219365512.db2.gz RRJAPVSFOALJRN-CQSZACIVSA-N 0 0 331.131 4.143 10 0 EIAERN CCc1cc(Br)ccc1OCC(=O)Nc1ccccc1C ZINC000040942392 213402715 /nfs/dbraw/zinc/40/27/15/213402715.db2.gz KQRAZDWLRNKTPF-UHFFFAOYSA-N 0 0 348.240 4.337 10 0 EIAERN Cc1ccc(C)c(OCC(=O)Nc2ccccc2Br)c1C ZINC000040880489 213398081 /nfs/dbraw/zinc/39/80/81/213398081.db2.gz XRZGMRBLBOWKEO-UHFFFAOYSA-N 0 0 348.240 4.392 10 0 EIAERN Nc1cccc(Cl)c1C(=O)OCc1ccc(Br)cc1 ZINC000104335027 219375616 /nfs/dbraw/zinc/37/56/16/219375616.db2.gz SIWIPDUWQXMJJB-UHFFFAOYSA-N 0 0 340.604 4.042 10 0 EIAERN Cc1ccc(/C=C/C(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)cc1 ZINC000040868408 213395689 /nfs/dbraw/zinc/39/56/89/213395689.db2.gz UVVDWBYGCYFCBB-FMIVXFBMSA-N 0 0 346.382 4.209 10 0 EIAERN Cc1ccc2c(cccc2Nc2ncnc(NC3CCCC3)c2N)n1 ZINC000040800501 213388699 /nfs/dbraw/zinc/38/86/99/213388699.db2.gz PBTDQUOPZLLKPR-UHFFFAOYSA-N 0 0 334.427 4.014 10 0 EIAERN CC(C)CCNc1ncnc(Nc2ccc(C(F)(F)F)cc2)c1N ZINC000040797815 213388617 /nfs/dbraw/zinc/38/86/17/213388617.db2.gz IGVFOZWQECPITH-UHFFFAOYSA-N 0 0 339.365 4.279 10 0 EIAERN Nc1c(Nc2cccc3ncccc32)ncnc1NC1CCCCCC1 ZINC000040797013 213387973 /nfs/dbraw/zinc/38/79/73/213387973.db2.gz OGXFRUCMRKOVAT-UHFFFAOYSA-N 0 0 348.454 4.485 10 0 EIAERN Nc1c(Nc2ccccc2Cl)ncnc1Nc1cccnc1Cl ZINC000040781375 213386159 /nfs/dbraw/zinc/38/61/59/213386159.db2.gz MIOGNBCSCSRBRF-UHFFFAOYSA-N 0 0 347.209 4.248 10 0 EIAERN Nc1c(Nc2ccccc2Cl)ncnc1Nc1cc(F)ccc1F ZINC000040781352 213385884 /nfs/dbraw/zinc/38/58/84/213385884.db2.gz DBRKECYITBFLBC-UHFFFAOYSA-N 0 0 347.756 4.478 10 0 EIAERN Cc1cccc(Nc2ncnc(Nc3ccc(F)c(F)c3)c2N)c1 ZINC000040781702 213385785 /nfs/dbraw/zinc/38/57/85/213385785.db2.gz CMPWICAHZQAROZ-UHFFFAOYSA-N 0 0 327.338 4.133 10 0 EIAERN Cc1cc(Oc2ncnc(NCc3ccco3)c2N)cc(C)c1Cl ZINC000040761397 213385360 /nfs/dbraw/zinc/38/53/60/213385360.db2.gz QVHCHPDUDYZOHT-UHFFFAOYSA-N 0 0 344.802 4.326 10 0 EIAERN Nc1c(NCc2ccc(Cl)cc2)ncnc1OC1CCCCC1 ZINC000040784094 213387394 /nfs/dbraw/zinc/38/73/94/213387394.db2.gz HXKILCWZIBJDDV-UHFFFAOYSA-N 0 0 332.835 4.036 10 0 EIAERN CCN(CC)c1ncnc(NC(c2ccccc2)c2ccccc2)c1N ZINC000040723249 213376013 /nfs/dbraw/zinc/37/60/13/213376013.db2.gz SUFFQKNDGMREPO-UHFFFAOYSA-N 0 0 347.466 4.107 10 0 EIAERN CC(C)c1ccc(Oc2ncnc(NNc3ccccc3)c2N)cc1 ZINC000040727335 213376786 /nfs/dbraw/zinc/37/67/86/213376786.db2.gz ZUIYCCXLLIPONL-UHFFFAOYSA-N 0 0 335.411 4.414 10 0 EIAERN Cc1cc(Cl)ccc1Nc1ncnc(N2CCCCCC2)c1N ZINC000040703145 213372216 /nfs/dbraw/zinc/37/22/16/213372216.db2.gz RKAYOFOVDFWGJB-UHFFFAOYSA-N 0 0 331.851 4.145 10 0 EIAERN Nc1c(Nc2cccnc2)ncnc1Oc1ccc2ccccc2c1 ZINC000040687796 213369833 /nfs/dbraw/zinc/36/98/33/213369833.db2.gz GCJBULKZGREXAQ-UHFFFAOYSA-N 0 0 329.363 4.143 10 0 EIAERN COc1ccc(C)cc1Nc1ncnc(Nc2ccccc2C)c1N ZINC000040684328 213369428 /nfs/dbraw/zinc/36/94/28/213369428.db2.gz WCZSBNWURLWNJY-UHFFFAOYSA-N 0 0 335.411 4.171 10 0 EIAERN Cc1cccc(-c2nc3cc(C(F)(F)F)ccc3n2CCCO)c1 ZINC000040402218 213299068 /nfs/dbraw/zinc/29/90/68/213299068.db2.gz PRUMNEDLUFOWDM-UHFFFAOYSA-N 0 0 334.341 4.413 10 0 EIAERN Cc1ccc(NC(=O)c2cnc3c(C)c(Cl)ccc3c2O)cc1 ZINC000040359315 213293836 /nfs/dbraw/zinc/29/38/36/213293836.db2.gz XPZCKPUCGPMOIK-UHFFFAOYSA-N 0 0 326.783 4.051 10 0 EIAERN Cc1cc2nc(CCO)n(Cc3c(F)cccc3Cl)c2cc1C ZINC000040310694 213291377 /nfs/dbraw/zinc/29/13/77/213291377.db2.gz JDPLYDPWSVFTBB-UHFFFAOYSA-N 0 0 332.806 4.029 10 0 EIAERN CC(C)CNC(=O)Cn1c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000040307313 213290325 /nfs/dbraw/zinc/29/03/25/213290325.db2.gz RDFWERDTZOQCDH-UHFFFAOYSA-N 0 0 341.842 4.129 10 0 EIAERN CCCn1c(CNC(=O)c2cccc(Cl)c2)nc2ccccc21 ZINC000040278807 213286503 /nfs/dbraw/zinc/28/65/03/213286503.db2.gz LODGJUDMOPYMKI-UHFFFAOYSA-N 0 0 327.815 4.030 10 0 EIAERN CC(C)CN(CC(C)C)C(=O)Cn1c2ccccc2nc1C(C)C ZINC000040231377 213283691 /nfs/dbraw/zinc/28/36/91/213283691.db2.gz HFSYUYDAQCXENX-UHFFFAOYSA-N 0 0 329.488 4.300 10 0 EIAERN O=C(Cn1c(/C=C/c2ccccc2)nc2ccccc21)N1CCCCC1 ZINC000040238402 213283323 /nfs/dbraw/zinc/28/33/23/213283323.db2.gz NIECKMJJMBXHGN-BUHFOSPRSA-N 0 0 345.446 4.219 10 0 EIAERN CCCCCCn1c(CNC(=O)c2ccco2)nc2ccccc21 ZINC000040197119 213280545 /nfs/dbraw/zinc/28/05/45/213280545.db2.gz YXYIHTHNGVVNCJ-UHFFFAOYSA-N 0 0 325.412 4.140 10 0 EIAERN COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@@H](C)[C@H]2C)ccc1O ZINC000038483262 213210042 /nfs/dbraw/zinc/21/00/42/213210042.db2.gz TZAAYUCUPIYQBR-FKANQGBASA-N 0 0 328.408 4.075 10 0 endogenous,in-man EIAERN CC[C@@H](C)NC(=O)CCN[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000038013669 213190183 /nfs/dbraw/zinc/19/01/83/213190183.db2.gz URQYCELVWFTEAG-ZJUUUORDSA-N 0 0 335.250 4.088 10 0 EIAERN C[C@@H](Nc1cc2ccccc2c(=O)[nH]1)c1cccc(Br)c1 ZINC000038012640 213189303 /nfs/dbraw/zinc/18/93/03/213189303.db2.gz RMIICTKJLDLRII-LLVKDONJSA-N 0 0 343.224 4.464 10 0 EIAERN CCOc1ncccc1N[C@@H](C)c1ccc(Br)s1 ZINC000038002765 213186924 /nfs/dbraw/zinc/18/69/24/213186924.db2.gz FVUHAYIIYIEGKO-VIFPVBQESA-N 0 0 327.247 4.477 10 0 EIAERN C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)c1nc(Cl)ccc1Cl ZINC000037980468 213180803 /nfs/dbraw/zinc/18/08/03/213180803.db2.gz OISNHPDPSJTQGX-ZETCQYMHSA-N 0 0 341.160 4.191 10 0 EIAERN COC(=O)[C@](C)(NC1CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000037971960 213178036 /nfs/dbraw/zinc/17/80/36/213178036.db2.gz KUQAJSDQEBUQHW-MRXNPFEDSA-N 0 0 330.255 4.304 10 0 EIAERN CS(=O)(=O)c1ccc(Cl)c(NCc2ccc(Cl)s2)c1 ZINC000036955169 213126974 /nfs/dbraw/zinc/12/69/74/213126974.db2.gz HSMRTYODUPNBBG-UHFFFAOYSA-N 0 0 336.265 4.071 10 0 EIAERN NC(=S)c1ccc(Oc2ccc(F)cc2Br)c(F)c1 ZINC000036887529 213124981 /nfs/dbraw/zinc/12/49/81/213124981.db2.gz FKPCBQGRHWEWAM-UHFFFAOYSA-N 0 0 344.180 4.154 10 0 EIAERN CN[C@@H](c1ccc(F)cc1Br)c1cc(F)ccc1F ZINC000035468812 213031333 /nfs/dbraw/zinc/03/13/33/213031333.db2.gz RUJFRKHZGRICSB-AWEZNQCLSA-N 0 0 330.147 4.175 10 0 EIAERN COc1cc(Br)c(C(=O)c2ccc(C)s2)cc1OC ZINC000035369051 213023576 /nfs/dbraw/zinc/02/35/76/213023576.db2.gz RGYOSWQIXUYPRB-UHFFFAOYSA-N 0 0 341.226 4.067 10 0 EIAERN CCOC(=O)c1ccc(NCC(CC)CC)c(Br)c1 ZINC000036958815 213127229 /nfs/dbraw/zinc/12/72/29/213127229.db2.gz HUBVNSZRPXQZFK-UHFFFAOYSA-N 0 0 328.250 4.474 10 0 EIAERN C[S@@](=O)(=NC(=O)C(Cl)=C(Cl)Cl)c1ccc(Cl)cc1 ZINC000000161183 209458962 /nfs/dbraw/zinc/45/89/62/209458962.db2.gz DIZXDEQHMOLMDT-SFHVURJKSA-N 0 0 347.050 4.209 10 0 EIAERN Cc1nc(C)c(-c2cc(NCc3ccccn3)nc3[nH]ccc32)s1 ZINC000072423761 216213052 /nfs/dbraw/zinc/21/30/52/216213052.db2.gz CKCIKNOJWNAJNK-UHFFFAOYSA-N 0 0 335.436 4.310 10 0 EIAERN Cc1ccc(Oc2cn(C)c(=O)c(Nc3ccc(F)cc3)n2)c(C)c1 ZINC000028110009 212599969 /nfs/dbraw/zinc/59/99/69/212599969.db2.gz UMWJSCQCQVGSKB-UHFFFAOYSA-N 0 0 339.370 4.072 10 0 EIAERN Cc1ccc(-c2ccc(C(=O)Nc3ccc(C)cc3C)c(=O)[nH]2)cc1 ZINC000072451060 216238939 /nfs/dbraw/zinc/23/89/39/216238939.db2.gz XOXVZNLCSRRUMD-UHFFFAOYSA-N 0 0 332.403 4.219 10 0 EIAERN C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1)c1ccccc1Br ZINC000023526104 212381461 /nfs/dbraw/zinc/38/14/61/212381461.db2.gz KYIDJCPKSXKUHD-CHWSQXEVSA-N 0 0 348.240 4.094 10 0 EIAERN COc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1N ZINC000226347522 242100055 /nfs/dbraw/zinc/10/00/55/242100055.db2.gz MNAPZIDAOGARSD-UHFFFAOYSA-N 0 0 326.783 4.336 10 0 EIAERN COc1cc(N)cc(Cl)c1NC(=O)c1cc(Cl)ccc1Cl ZINC000227146800 242122240 /nfs/dbraw/zinc/12/22/40/242122240.db2.gz WIXFEEBXNOXVBR-UHFFFAOYSA-N 0 0 345.613 4.490 10 0 EIAERN COc1c(Cl)cc(C(=O)Nc2ccc(N)cc2Cl)cc1Cl ZINC000227157321 242122964 /nfs/dbraw/zinc/12/29/64/242122964.db2.gz FIDARZALPORHHK-UHFFFAOYSA-N 0 0 345.613 4.490 10 0 EIAERN COC(=O)/C=C/c1ccc(-c2ccc(F)cc2Br)o1 ZINC000226256436 242093024 /nfs/dbraw/zinc/09/30/24/242093024.db2.gz OMYYNIVRNZHTNA-QPJJXVBHSA-N 0 0 325.133 4.034 10 0 EIAERN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(-c3cc(N)ccc3Cl)o2)C1 ZINC000226301486 242096626 /nfs/dbraw/zinc/09/66/26/242096626.db2.gz OMZKFMIWRSTRII-TXEJJXNPSA-N 0 0 332.831 4.300 10 0 EIAERN O=C(C[C@@H](c1ccco1)n1cccc1)Nc1ccc(F)c(Cl)c1 ZINC000020997400 212196871 /nfs/dbraw/zinc/19/68/71/212196871.db2.gz CQLCKBUPSPZSQU-HNNXBMFYSA-N 0 0 332.762 4.492 10 0 EIAERN CC(=O)c1cc(-c2ccccc2)n(CCC(=O)N2CCCCC2)c1C ZINC000020761016 212169297 /nfs/dbraw/zinc/16/92/97/212169297.db2.gz KYBRZHMLSSFLQE-UHFFFAOYSA-N 0 0 338.451 4.069 10 0 EIAERN CCOC(=O)c1cccnc1Oc1ccc(C)cc1Br ZINC000020077664 212099688 /nfs/dbraw/zinc/09/96/88/212099688.db2.gz SFJGGINXZBHNKP-UHFFFAOYSA-N 0 0 336.185 4.122 10 0 EIAERN C[C@@H](Nc1ccccc1Br)c1ccc2c(c1)OCCO2 ZINC000019922732 212085012 /nfs/dbraw/zinc/08/50/12/212085012.db2.gz LHDVJDHZIPFODO-LLVKDONJSA-N 0 0 334.213 4.393 10 0 EIAERN COc1ccc(CNc2ccc(Br)cc2F)cc1OC ZINC000019907939 212082072 /nfs/dbraw/zinc/08/20/72/212082072.db2.gz UBJPTTOJDQNVPR-UHFFFAOYSA-N 0 0 340.192 4.218 10 0 EIAERN C[C@H](Nc1ccc(Br)cc1F)c1ccc2c(c1)OCO2 ZINC000019908018 212081766 /nfs/dbraw/zinc/08/17/66/212081766.db2.gz GKEALOOMRAQYCJ-VIFPVBQESA-N 0 0 338.176 4.490 10 0 EIAERN COc1cc(CNc2cc(F)ccc2F)cc(Br)c1O ZINC000019907762 212081548 /nfs/dbraw/zinc/08/15/48/212081548.db2.gz HHYDFXZXBNUZON-UHFFFAOYSA-N 0 0 344.155 4.054 10 0 EIAERN C[C@H]1[C@H](NC(=O)c2cc(F)ccc2Br)CCC[C@@H]1C ZINC000019423126 212027567 /nfs/dbraw/zinc/02/75/67/212027567.db2.gz AJIUECQPOZESDQ-IMSIIYSGSA-N 0 0 328.225 4.143 10 0 EIAERN Cc1nccn1CCNc1c(Cl)cc(Br)cc1Cl ZINC000049330020 214001642 /nfs/dbraw/zinc/00/16/42/214001642.db2.gz RTTOOPBHOOQMRU-UHFFFAOYSA-N 0 0 349.059 4.373 10 0 EIAERN N[C@H](Cc1ccccc1)c1nnc(SCc2ccc(Cl)cc2)o1 ZINC000012418160 211374696 /nfs/dbraw/zinc/37/46/96/211374696.db2.gz RTGUCRXOIDMIDB-OAHLLOKOSA-N 0 0 345.855 4.258 10 0 EIAERN COC(=O)c1sc2ncnc(Nc3cc(C)cc(C)c3)c2c1C ZINC000012084592 211287549 /nfs/dbraw/zinc/28/75/49/211287549.db2.gz BCPITNPDSZVAMT-UHFFFAOYSA-N 0 0 327.409 4.147 10 0 EIAERN CN(c1nsc2ccccc21)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095074175 218271619 /nfs/dbraw/zinc/27/16/19/218271619.db2.gz LCUFWRWZGDPSDJ-ZDUSSCGKSA-N 0 0 347.484 4.132 10 0 EIAERN CC(C)(C)OC(=O)N1CCC[C@H](Oc2nsc3ccccc32)C1 ZINC000095084507 218276890 /nfs/dbraw/zinc/27/68/90/218276890.db2.gz IVYLEAWMXALFFD-LBPRGKRZSA-N 0 0 334.441 4.075 10 0 EIAERN CC(C)N(c1ccc(I)cc1)C(F)(F)F ZINC000095088060 218278814 /nfs/dbraw/zinc/27/88/14/218278814.db2.gz KLBXLMSCXLCING-UHFFFAOYSA-N 0 0 329.103 4.026 10 0 EIAERN C[C@@H](OCC[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccccn1 ZINC000095089454 218278988 /nfs/dbraw/zinc/27/89/88/218278988.db2.gz BURGCCBROIXRGZ-HZPDHXFCSA-N 0 0 334.460 4.339 10 0 EIAERN CC(C)(C)Oc1cccc(I)c1OC1CC1 ZINC000095722168 218446928 /nfs/dbraw/zinc/44/69/28/218446928.db2.gz VUIAQNSMMBVFDQ-UHFFFAOYSA-N 0 0 332.181 4.010 10 0 EIAERN CCc1nc2ccccc2n1C(F)(F)C(F)(F)Br ZINC000057354516 522496659 /nfs/dbraw/zinc/49/66/59/522496659.db2.gz LSUQYMMDLAISKC-UHFFFAOYSA-N 0 0 325.103 4.136 10 0 EIAERN CCc1ncc(CN[C@H](C)c2ccccc2Br)s1 ZINC000037924142 522557166 /nfs/dbraw/zinc/55/71/66/522557166.db2.gz UDRLVDMGOGLUBS-SNVBAGLBSA-N 0 0 325.275 4.319 10 0 EIAERN CN(Cc1ccccc1F)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000045440180 523368770 /nfs/dbraw/zinc/36/87/70/523368770.db2.gz YIKJTZQQFHDLQT-CHWSQXEVSA-N 0 0 332.341 4.088 10 0 EIAERN CC(C)(C)OC(=O)N1CCc2[nH]nc(-c3ccc(Cl)s3)c2C1 ZINC000211841859 534860752 /nfs/dbraw/zinc/86/07/52/534860752.db2.gz WZAQHLBSRRNXCG-UHFFFAOYSA-N 0 0 339.848 4.085 10 0 EIAERN CCCCOc1cccc(C(=O)Nc2ccc(OCC)cc2N)c1 ZINC000226349348 535327071 /nfs/dbraw/zinc/32/70/71/535327071.db2.gz YOAJZQQIAKXHKX-UHFFFAOYSA-N 0 0 328.412 4.099 10 0 EIAERN COc1ccc(NC(=O)Cc2[nH]c3ccccc3c2SC)cc1 ZINC000005324946 563526806 /nfs/dbraw/zinc/52/68/06/563526806.db2.gz YVWRVMILOVYEBP-UHFFFAOYSA-N 0 0 326.421 4.080 10 0 EIAERN Cc1ccc2[nH]c([C@H]3CCCN3Cc3ccnc(C(C)C)n3)nc2c1 ZINC000077357701 563969155 /nfs/dbraw/zinc/96/91/55/563969155.db2.gz ORDNYEBIYFAESA-GOSISDBHSA-N 0 0 335.455 4.122 10 0 EIAERN CC1=NN(c2ccccc2)[C@@H]2OC(C)(C)[C@@H]3COc4ccccc4[C@H]3[C@@H]12 ZINC000257173271 563984232 /nfs/dbraw/zinc/98/42/32/563984232.db2.gz IBROMFNXVVTFTM-CWJKEVGVSA-N 0 0 348.446 4.426 10 0 EIAERN CC1=NN(c2ccccc2)[C@@H]2OC(C)(C)[C@@H]3COc4ccccc4[C@@H]3[C@H]12 ZINC000257173270 563984233 /nfs/dbraw/zinc/98/42/33/563984233.db2.gz IBROMFNXVVTFTM-BVOGOJNSSA-N 0 0 348.446 4.426 10 0 EIAERN Clc1nc(C(Cl)(Cl)Cl)nc(Cl)c1Br ZINC000059376081 564053618 /nfs/dbraw/zinc/05/36/18/564053618.db2.gz IVORGFMERODVEP-UHFFFAOYSA-N 0 0 345.238 4.373 10 0 EIAERN C[C@H](CC(=O)OCc1ccccc1)OCc1cccc2cccnc21 ZINC000583652989 564075101 /nfs/dbraw/zinc/07/51/01/564075101.db2.gz QGIBUBOGZIJERW-MRXNPFEDSA-N 0 0 335.403 4.273 10 0 EIAERN CCc1ccc(C(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1 ZINC000224283597 564088999 /nfs/dbraw/zinc/08/89/99/564088999.db2.gz BWEMQTWFIZGGST-UHFFFAOYSA-N 0 0 337.354 4.223 10 0 EIAERN CCn1cc2c(n1)-c1c(C)c(C(=O)Nc3ccccc3C)oc1CC2 ZINC000006871852 564100205 /nfs/dbraw/zinc/10/02/05/564100205.db2.gz OMKZDQGTDAFFCA-UHFFFAOYSA-N 0 0 335.407 4.131 10 0 EIAERN C[C@@H]1CCCCN1c1ccc(N(C)C(=O)C(F)(F)F)cc1Cl ZINC000226275703 564117284 /nfs/dbraw/zinc/11/72/84/564117284.db2.gz AMGJUJPKMABJBZ-SNVBAGLBSA-N 0 0 334.769 4.244 10 0 EIAERN CC1=C(C#N)[C@@H](c2cc(Br)cs2)C2=C(CCCC2=O)N1 ZINC000048534501 564129326 /nfs/dbraw/zinc/12/93/26/564129326.db2.gz NHQRJVDYUSHESC-AWEZNQCLSA-N 0 0 349.253 4.002 10 0 EIAERN C[C@@H](COCc1ccccc1)CC(=O)CCCNC(=O)OC(C)(C)C ZINC000685961589 564177184 /nfs/dbraw/zinc/17/71/84/564177184.db2.gz LMONNDFANVQLEP-MRXNPFEDSA-N 0 0 349.471 4.103 10 0 EIAERN C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)CCCOCc1ccccc1 ZINC000405806576 564177630 /nfs/dbraw/zinc/17/76/30/564177630.db2.gz CPXFIEJLUATLCV-JKSUJKDBSA-N 0 0 349.471 4.102 10 0 EIAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)Nc3cccc(OC)c3)C2)cc1 ZINC000120792449 1032416844 /nfs/dbraw/zinc/41/68/44/1032416844.db2.gz WDYMUKOIGWWLCK-HOCLYGCPSA-N 0 0 340.423 4.114 10 0 EIAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3ccccc3F)C2)cc1 ZINC000120801682 1032444597 /nfs/dbraw/zinc/44/45/97/1032444597.db2.gz OIMJUVGHHKTHMO-UKRRQHHQSA-N 0 0 328.387 4.244 10 0 EIAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)Nc3cccnc3Cl)C2)cc1 ZINC000120820610 1032445924 /nfs/dbraw/zinc/44/59/24/1032445924.db2.gz MMJDPWQKYZLABL-JSGCOSHPSA-N 0 0 345.830 4.154 10 0 EIAERN Cc1csc(C2CCN(C(=O)c3cc(Cl)ccc3F)CC2)n1 ZINC000102646445 1022592619 /nfs/dbraw/zinc/59/26/19/1022592619.db2.gz GCDQCMUJCUAZSR-UHFFFAOYSA-N 0 0 338.835 4.264 10 0 EIAERN CCSc1cc(C(=O)N2CC=C(c3cccs3)CC2)ccn1 ZINC000117720635 1024805961 /nfs/dbraw/zinc/80/59/61/1024805961.db2.gz KMBCVWXCXVMLQJ-UHFFFAOYSA-N 0 0 330.478 4.185 10 0 EIAERN O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000128224357 1026368388 /nfs/dbraw/zinc/36/83/88/1026368388.db2.gz QGSPLGISLJGJMW-ZBEGNZNMSA-N 0 0 343.254 4.152 10 0 EIAERN CSCc1ccc(NC(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000114814118 1029623509 /nfs/dbraw/zinc/62/35/09/1029623509.db2.gz WJJIAEVJNCLHCN-AWEZNQCLSA-N 0 0 347.509 4.418 10 0 EIAERN Cc1csc(C2CCN(C(=O)C[C@@H](C)c3cccc(F)c3)CC2)n1 ZINC000116187713 1030768740 /nfs/dbraw/zinc/76/87/40/1030768740.db2.gz BGNWCEUHBNTNKU-CYBMUJFWSA-N 0 0 346.471 4.490 10 0 EIAERN COc1cccc([C@@H]2C[C@@H]2C(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000117719877 1031207463 /nfs/dbraw/zinc/20/74/63/1031207463.db2.gz JDLXYECDFOZIBF-ROUUACIJSA-N 0 0 339.460 4.176 10 0 EIAERN O=C(c1cc(-c2ccccc2)no1)N1CC=C(c2cccs2)CC1 ZINC000117720791 1031207980 /nfs/dbraw/zinc/20/79/80/1031207980.db2.gz OLDZYHJYCJQHDV-UHFFFAOYSA-N 0 0 336.416 4.333 10 0 EIAERN O=C([C@@H]1C[C@H]1c1c(F)cccc1F)N1CC=C(c2cccs2)CC1 ZINC000117723943 1031210765 /nfs/dbraw/zinc/21/07/65/1031210765.db2.gz QXVWRIJOTWZHGQ-ZIAGYGMSSA-N 0 0 345.414 4.446 10 0 EIAERN COc1cccc([C@H]2C[C@H]2C(=O)N2CC=C(c3ccccc3)CC2)c1 ZINC000106595177 1031275352 /nfs/dbraw/zinc/27/53/52/1031275352.db2.gz BFZRUZMYPXQRMP-NHCUHLMSSA-N 0 0 333.431 4.115 10 0 EIAERN COc1cccc([C@H]2C[C@@H]2C(=O)N2CC=C(c3ccccc3)CC2)c1 ZINC000106595174 1031276170 /nfs/dbraw/zinc/27/61/70/1031276170.db2.gz BFZRUZMYPXQRMP-RTWAWAEBSA-N 0 0 333.431 4.115 10 0 EIAERN CCc1nc([C@H](C)NC(=O)N2CC=C(c3ccccc3)CC2)cs1 ZINC000111528069 1031333276 /nfs/dbraw/zinc/33/32/76/1031333276.db2.gz WYYVQLKHNVPCGQ-AWEZNQCLSA-N 0 0 341.480 4.265 10 0 EIAERN COc1ccc(NC(=O)N2CC=C(c3cccs3)CC2)cc1OC ZINC000118007864 1031340835 /nfs/dbraw/zinc/34/08/35/1031340835.db2.gz YMRVTACKPBTJKU-UHFFFAOYSA-N 0 0 344.436 4.087 10 0 EIAERN O=C(Nc1ccc(F)cc1Cl)N1CCC[C@@H](c2nccs2)C1 ZINC000114804885 1031372674 /nfs/dbraw/zinc/37/26/74/1031372674.db2.gz PUFROKLQYRVROJ-SNVBAGLBSA-N 0 0 339.823 4.347 10 0 EIAERN CC[C@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1cccs1 ZINC000114825012 1031373755 /nfs/dbraw/zinc/37/37/55/1031373755.db2.gz RPDCBARAWUVBMH-STQMWFEESA-N 0 0 335.498 4.245 10 0 EIAERN O=C(N[C@@H](c1ccccc1)C1CC1)N1CCC[C@@H](c2nccs2)C1 ZINC000114820886 1031373795 /nfs/dbraw/zinc/37/37/95/1031373795.db2.gz QEASEZAXWUNNMY-SJORKVTESA-N 0 0 341.480 4.183 10 0 EIAERN CC[C@H](NC(=O)N1CCC[C@@H](c2nccs2)C1)c1cccs1 ZINC000114825016 1031376503 /nfs/dbraw/zinc/37/65/03/1031376503.db2.gz RPDCBARAWUVBMH-OLZOCXBDSA-N 0 0 335.498 4.245 10 0 EIAERN O=C(c1cc(-c2cccs2)n[nH]1)N1CC=C(c2cccs2)CC1 ZINC000117856221 1031395822 /nfs/dbraw/zinc/39/58/22/1031395822.db2.gz BOYUWKCNEUTSPQ-UHFFFAOYSA-N 0 0 341.461 4.129 10 0 EIAERN COc1ccc(NC(=O)N2CC=C(c3cccs3)CC2)c(C)c1 ZINC000118019053 1031398561 /nfs/dbraw/zinc/39/85/61/1031398561.db2.gz JFHBETILRKONJV-UHFFFAOYSA-N 0 0 328.437 4.386 10 0 EIAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc2ccccc2c1 ZINC000128390016 1031738108 /nfs/dbraw/zinc/73/81/08/1031738108.db2.gz JACWOOQJQINVOO-QGZVFWFLSA-N 0 0 349.438 4.211 10 0 EIAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCC[C@@H]2C2CCCC2)n1 ZINC000119303840 1031869564 /nfs/dbraw/zinc/86/95/64/1031869564.db2.gz ALVAVENRNMXYIL-OAHLLOKOSA-N 0 0 339.430 4.272 10 0 EIAERN Cc1ccc(CN[C@@H](c2ncon2)c2ccc(Cl)cc2)cc1C ZINC000090202714 1039201022 /nfs/dbraw/zinc/20/10/22/1039201022.db2.gz DTWNOXGVSHVDTC-QGZVFWFLSA-N 0 0 327.815 4.219 10 0 EIAERN Cc1ccc(CN[C@H](c2ncon2)c2ccc(Cl)cc2)c(C)c1 ZINC000090202711 1039203478 /nfs/dbraw/zinc/20/34/78/1039203478.db2.gz OODSFHRQQBSATK-KRWDZBQOSA-N 0 0 327.815 4.219 10 0 EIAERN c1csc(Cn2cccc2CN2CCO[C@@H](c3cccs3)C2)c1 ZINC000092593454 1039571274 /nfs/dbraw/zinc/57/12/74/1039571274.db2.gz GKOMJJJNVGMHIS-QGZVFWFLSA-N 0 0 344.505 4.233 10 0 EIAERN Cc1cccc([C@@H]2CCCN2Cc2c(Cl)n(C)nc2C(C)C)n1 ZINC000093453443 1039694813 /nfs/dbraw/zinc/69/48/13/1039694813.db2.gz YDSAXGNSCGMKBC-INIZCTEOSA-N 0 0 332.879 4.237 10 0 EIAERN O=C(CCc1ccc(Cl)s1)N1CCC[C@@H](c2nccs2)C1 ZINC000067047493 1045736542 /nfs/dbraw/zinc/73/65/42/1045736542.db2.gz MHVQETMYOJFGNQ-LLVKDONJSA-N 0 0 340.901 4.197 10 0 EIAERN CC[C@H](NC(=O)N1CCO[C@@H](c2ccccc2F)C1)c1cccs1 ZINC000067406584 1045741130 /nfs/dbraw/zinc/74/11/30/1045741130.db2.gz LZNWJNISNBUWLT-JKSUJKDBSA-N 0 0 348.443 4.121 10 0 EIAERN Cc1ccc(C(N)=O)cc1NCc1ncc(-c2ccccc2Cl)o1 ZINC000072912066 1045801159 /nfs/dbraw/zinc/80/11/59/1045801159.db2.gz NQOFONGVXZVZGV-UHFFFAOYSA-N 0 0 341.798 4.014 10 0 EIAERN CC(C)CO[C@@H](C)c1noc(CN2CC=C(c3ccccc3)CC2)n1 ZINC000074981515 1045821583 /nfs/dbraw/zinc/82/15/83/1045821583.db2.gz SQAYEHYTTVCTHI-INIZCTEOSA-N 0 0 341.455 4.093 10 0 EIAERN Cc1cnc([C@@H](C)NC(=O)N2CC=C(c3ccccc3)CC2)s1 ZINC000078348752 1046027978 /nfs/dbraw/zinc/02/79/78/1046027978.db2.gz GRGNPFOTZIVQFU-CQSZACIVSA-N 0 0 327.453 4.011 10 0 EIAERN CN(Cc1ccc(Cl)cc1N)Cc1ccccc1Br ZINC000050443044 214056588 /nfs/dbraw/zinc/05/65/88/214056588.db2.gz NHVZERONXONKID-UHFFFAOYSA-N 0 0 339.664 4.317 10 0 EIAERN CN(C)C(=O)c1ccc(CSc2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000097635419 219043236 /nfs/dbraw/zinc/04/32/36/219043236.db2.gz IIIHZCAENODRCR-UHFFFAOYSA-N 0 0 345.855 4.210 10 0 EIAERN C/C=C\C=C/C(=O)OCc1csc(Nc2ccc(OC)cc2)n1 ZINC000097655626 219044914 /nfs/dbraw/zinc/04/49/14/219044914.db2.gz VVZBPJDNSSOEJQ-OUPQRBNQSA-N 0 0 330.409 4.071 10 0 EIAERN Cn1nc(-c2ccccc2Br)c(-c2cccs2)c1N ZINC000052901662 214154027 /nfs/dbraw/zinc/15/40/27/214154027.db2.gz HVZQVTDMWRCDQI-UHFFFAOYSA-N 0 0 334.242 4.160 10 0 EIAERN C[C@@H](Nc1c(N)ccc(F)c1F)c1cccc(Br)c1 ZINC000053166768 214167483 /nfs/dbraw/zinc/16/74/83/214167483.db2.gz NNKWJDOHHNQLLS-MRVPVSSYSA-N 0 0 327.172 4.483 10 0 EIAERN O=C(Cc1sccc1Br)Cc1cc(F)cc(F)c1 ZINC000053779190 214197970 /nfs/dbraw/zinc/19/79/70/214197970.db2.gz GFNIRLSIZDNCII-UHFFFAOYSA-N 0 0 331.181 4.143 10 0 EIAERN COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1ccc(C(C)C)cc1 ZINC000054618088 214246473 /nfs/dbraw/zinc/24/64/73/214246473.db2.gz ABGZFAWHPVNBOG-UHFFFAOYSA-N 0 0 341.407 4.062 10 0 EIAERN CCc1ccc2oc(C(=O)Nc3cccc(C(=O)OC)c3)c(C)c2c1 ZINC000054644761 214247939 /nfs/dbraw/zinc/24/79/39/214247939.db2.gz TZFPCFMSSPJXAB-UHFFFAOYSA-N 0 0 337.375 4.343 10 0 EIAERN Cc1ccc(C[C@@H](O)Cc2ccc(Br)s2)cc1C ZINC000061681502 214671504 /nfs/dbraw/zinc/67/15/04/214671504.db2.gz CEMPJYHQPMPKIX-CYBMUJFWSA-N 0 0 325.271 4.274 10 0 EIAERN COC(=O)c1nc(Cl)cc(NCc2ccccc2C)c1Cl ZINC000098179861 219086402 /nfs/dbraw/zinc/08/64/02/219086402.db2.gz FAAPSBYGMBUKIL-UHFFFAOYSA-N 0 0 325.195 4.096 10 0 EIAERN CC(C)(C)OC(=O)NCc1ccc(C(=O)Cc2ccccc2)cc1 ZINC000098180732 219086651 /nfs/dbraw/zinc/08/66/51/219086651.db2.gz GYGMDPCSAIOBQM-UHFFFAOYSA-N 0 0 325.408 4.137 10 0 EIAERN CCOC(=O)c1cc(Cc2ccc(Cl)cc2Cl)sc1N ZINC000098180990 219086846 /nfs/dbraw/zinc/08/68/46/219086846.db2.gz NOQBJQQLQJCGFP-UHFFFAOYSA-N 0 0 330.236 4.405 10 0 EIAERN COc1ccc2c(c1)N(Cc1ccccc1)C(=O)CC(c1ccco1)=N2 ZINC000100898325 219110874 /nfs/dbraw/zinc/11/08/74/219110874.db2.gz YESCSPSPFSKLDH-UHFFFAOYSA-N 0 0 346.386 4.346 10 0 EIAERN Cc1nnc2ccc(-c3ccc(NC(=O)CC4CCCCC4)cc3)nn12 ZINC000004377150 210184046 /nfs/dbraw/zinc/18/40/46/210184046.db2.gz BZEYLNFMCWKEBB-UHFFFAOYSA-N 0 0 349.438 4.009 10 0 EIAERN CC1=NN(c2ccccc2)C(=O)[C@]12O[C@@H]2c1c(Cl)cccc1Cl ZINC000004276794 210159322 /nfs/dbraw/zinc/15/93/22/210159322.db2.gz PIUUUIBMRNBSSW-WBVHZDCISA-N 0 0 347.201 4.226 10 0 EIAERN CCOC(=O)c1ccc(-c2cc(O)cc(C(F)(F)F)c2)cc1F ZINC000065344406 214873183 /nfs/dbraw/zinc/87/31/83/214873183.db2.gz FWNAWIXXAMTKCH-UHFFFAOYSA-N 0 0 328.261 4.394 10 0 EIAERN CC(C)(c1ccccc1)c1ccc(OCc2nnc(N)s2)cc1 ZINC000004227430 210148901 /nfs/dbraw/zinc/14/89/01/210148901.db2.gz XNSBCWXWJROPJT-UHFFFAOYSA-N 0 0 325.437 4.025 10 0 EIAERN CC1(C)OC(=O)Nc2c(Br)cc(Br)cc21 ZINC000003620317 210067018 /nfs/dbraw/zinc/06/70/18/210067018.db2.gz YKSISAXLBMWBNF-UHFFFAOYSA-N 0 0 334.995 4.009 10 0 EIAERN Nc1sc2c(c1-c1nc3cc(Br)ccc3[nH]1)CCC2 ZINC000102939432 219242154 /nfs/dbraw/zinc/24/21/54/219242154.db2.gz VNFJWXVJUGZLJP-UHFFFAOYSA-N 0 0 334.242 4.125 10 0 EIAERN CCc1c(N)c(C(=O)OC)sc1-c1ccc(Br)cc1 ZINC000103945550 219331336 /nfs/dbraw/zinc/33/13/36/219331336.db2.gz CTWJVRPTYMCHJG-UHFFFAOYSA-N 0 0 340.242 4.109 10 0 EIAERN CCCc1nnc(Cl)n1-c1cc(Br)ccc1Cl ZINC000103925614 219329077 /nfs/dbraw/zinc/32/90/77/219329077.db2.gz XLOZZKNTQUAWRN-UHFFFAOYSA-N 0 0 335.032 4.289 10 0 EIAERN Clc1ccc(Br)cc1NCc1ccc2c(c1)OCO2 ZINC000103976875 219335204 /nfs/dbraw/zinc/33/52/04/219335204.db2.gz UANPWHRRSIJEMV-UHFFFAOYSA-N 0 0 340.604 4.443 10 0 EIAERN O=C1Nc2ccccc2/C1=C\NCCc1ccc(Cl)cc1Cl ZINC000104042581 219341258 /nfs/dbraw/zinc/34/12/58/219341258.db2.gz TVYZKPOJDMFACE-GXDHUFHOSA-N 0 0 333.218 4.119 10 0 EIAERN CCCCCNC(=O)/C=C/c1ccc(OCCC(C)C)c(OC)c1 ZINC000040942177 213402736 /nfs/dbraw/zinc/40/27/36/213402736.db2.gz UXQOOKZYANFIJH-PKNBQFBNSA-N 0 0 333.472 4.440 10 0 EIAERN CN(Cc1csc(Br)c1)Cc1c(N)cccc1Cl ZINC000104313377 219372515 /nfs/dbraw/zinc/37/25/15/219372515.db2.gz CLXFZZYPBDSZFE-UHFFFAOYSA-N 0 0 345.693 4.378 10 0 EIAERN CCOC(CCn1ccc2ccc(Br)cc21)OCC ZINC000104348658 219378306 /nfs/dbraw/zinc/37/83/06/219378306.db2.gz UBTMQNGHNVEPPU-UHFFFAOYSA-N 0 0 326.234 4.193 10 0 EIAERN Nc1c(Nc2ccc(F)c(F)c2)ncnc1NC1CCCCCC1 ZINC000040800335 213388639 /nfs/dbraw/zinc/38/86/39/213388639.db2.gz XQJCIEAPGLRNBL-UHFFFAOYSA-N 0 0 333.386 4.215 10 0 EIAERN Cc1cccc(Nc2ncnc(Nc3cc(F)ccc3F)c2N)c1 ZINC000040781700 213385712 /nfs/dbraw/zinc/38/57/12/213385712.db2.gz MZZRPVYSQBQZHH-UHFFFAOYSA-N 0 0 327.338 4.133 10 0 EIAERN Nc1c(Nc2cccc(Cl)c2Cl)ncnc1Oc1cccnc1 ZINC000040778745 213385725 /nfs/dbraw/zinc/38/57/25/213385725.db2.gz RHAMLMXMOSSTNG-UHFFFAOYSA-N 0 0 348.193 4.297 10 0 EIAERN CC(=O)Nc1ccc(NC(=O)c2cc3ccc(Cl)cc3n2C)cc1 ZINC000040789000 213386738 /nfs/dbraw/zinc/38/67/38/213386738.db2.gz JUXPADZNVLUILD-UHFFFAOYSA-N 0 0 341.798 4.042 10 0 EIAERN Nc1c(Nc2cccc(Cl)c2)ncnc1Nc1ccc(Cl)cn1 ZINC000040779344 213386186 /nfs/dbraw/zinc/38/61/86/213386186.db2.gz DIFYSGLBLLESMT-UHFFFAOYSA-N 0 0 347.209 4.248 10 0 EIAERN Cc1ccc(Sc2ncnc(Nc3ccccc3F)c2N)cc1 ZINC000040759188 213383542 /nfs/dbraw/zinc/38/35/42/213383542.db2.gz KOVHUWJBFBSPRZ-UHFFFAOYSA-N 0 0 326.400 4.401 10 0 EIAERN Cc1ccc(Nc2ncnc(Nc3cccc4cccnc43)c2N)cc1 ZINC000040758319 213383555 /nfs/dbraw/zinc/38/35/55/213383555.db2.gz SPCXLEVNRDOOKC-UHFFFAOYSA-N 0 0 342.406 4.403 10 0 EIAERN COc1ccc(Oc2ncnc(Nc3cccc(C)c3C)c2N)cc1 ZINC000040755292 213383599 /nfs/dbraw/zinc/38/35/99/213383599.db2.gz GCMYDVCFIFZMGC-UHFFFAOYSA-N 0 0 336.395 4.220 10 0 EIAERN Cc1ccc(Nc2ncnc(Nc3cccnc3Cl)c2N)c(C)c1 ZINC000040755588 213383657 /nfs/dbraw/zinc/38/36/57/213383657.db2.gz MCIJELPYWVEIEI-UHFFFAOYSA-N 0 0 340.818 4.211 10 0 EIAERN Nc1c(Nc2ccccn2)ncnc1Nc1cccc2ccccc21 ZINC000040758855 213383262 /nfs/dbraw/zinc/38/32/62/213383262.db2.gz TYGICNFCVZACKI-UHFFFAOYSA-N 0 0 328.379 4.094 10 0 EIAERN Cc1ccccc1Nc1ncnc(Nc2cccc3cccnc32)c1N ZINC000040758305 213383070 /nfs/dbraw/zinc/38/30/70/213383070.db2.gz USXUZUMQNUYAQV-UHFFFAOYSA-N 0 0 342.406 4.403 10 0 EIAERN Cc1cccc(Nc2ncnc(Nc3ccc(Cl)cn3)c2N)c1C ZINC000040755065 213382718 /nfs/dbraw/zinc/38/27/18/213382718.db2.gz WKWQMPWNWAIPTH-UHFFFAOYSA-N 0 0 340.818 4.211 10 0 EIAERN Nc1c(Oc2ccccc2)ncnc1Oc1cccc2cccnc21 ZINC000040752189 213382106 /nfs/dbraw/zinc/38/21/06/213382106.db2.gz BSVBVJLIJSFTEH-UHFFFAOYSA-N 0 0 330.347 4.192 10 0 EIAERN CN(c1ccccc1)c1ncnc(Oc2cccc3cccnc32)c1N ZINC000040752108 213382192 /nfs/dbraw/zinc/38/21/92/213382192.db2.gz NHGKNMUNQAVBMX-UHFFFAOYSA-N 0 0 343.390 4.167 10 0 EIAERN CSc1ccc(N2C(=N)C(=S)N(c3ccccc3)C2=O)cc1 ZINC000069061587 215356975 /nfs/dbraw/zinc/35/69/75/215356975.db2.gz RRKHLRARCKQDLN-UHFFFAOYSA-N 0 0 327.434 4.160 10 0 EIAERN Nc1c(Nc2ccc(F)c(Cl)c2)ncnc1NC1CCCCC1 ZINC000040708693 213372269 /nfs/dbraw/zinc/37/22/69/213372269.db2.gz NHVNCLLMPNVSOF-UHFFFAOYSA-N 0 0 335.814 4.340 10 0 EIAERN Cc1ccnc(Nc2ncnc(Oc3ccc(C(C)C)cc3)c2N)c1 ZINC000040701253 213372353 /nfs/dbraw/zinc/37/23/53/213372353.db2.gz FDKVJNVAWSKXRB-UHFFFAOYSA-N 0 0 335.411 4.422 10 0 EIAERN COc1ccc(Nc2ncnc(Nc3cc(C)cc(C)c3)c2N)cc1 ZINC000040682016 213368479 /nfs/dbraw/zinc/36/84/79/213368479.db2.gz OWKYQWYOSKEHOU-UHFFFAOYSA-N 0 0 335.411 4.171 10 0 EIAERN Cc1cccnc1Nc1ncnc(Oc2cccc3ccccc32)c1N ZINC000040683144 213368185 /nfs/dbraw/zinc/36/81/85/213368185.db2.gz XKNXECDRLYTHDF-UHFFFAOYSA-N 0 0 343.390 4.451 10 0 EIAERN COc1ccccc1Nc1ncnc(Oc2cc(C)cc(C)c2)c1N ZINC000040681452 213368239 /nfs/dbraw/zinc/36/82/39/213368239.db2.gz QRHTWUUVHJEAHH-UHFFFAOYSA-N 0 0 336.395 4.220 10 0 EIAERN CC(=O)c1sc(NC(=O)C=Cc2ccc(C(C)C)cc2)nc1C ZINC000001945807 209808195 /nfs/dbraw/zinc/80/81/95/209808195.db2.gz PVICWKAQUCEQMN-JXMROGBWSA-N 0 0 328.437 4.429 10 0 EIAERN CCOc1ccc(/C=C/C(=O)Nc2cc(C)ccc2C)cc1OC ZINC000001934734 209806883 /nfs/dbraw/zinc/80/68/83/209806883.db2.gz YDVAQTPMJKUWOQ-PKNBQFBNSA-N 0 0 325.408 4.363 10 0 EIAERN CCn1cc(C(=O)Nc2ccccc2)c(=O)c2ccc(Cl)c(C)c21 ZINC000040359664 213293686 /nfs/dbraw/zinc/29/36/86/213293686.db2.gz KSIYUXWCFOZFDV-UHFFFAOYSA-N 0 0 340.810 4.236 10 0 EIAERN Cc1cc2nc(CCO)n(Cc3ccc4ccccc4c3)c2cc1C ZINC000040310703 213291499 /nfs/dbraw/zinc/29/14/99/213291499.db2.gz IMEQACMSSNZGKZ-UHFFFAOYSA-N 0 0 330.431 4.389 10 0 EIAERN COc1ccccc1N1C(=O)S/C(=C/C=C/c2ccco2)C1=O ZINC000039857508 213243722 /nfs/dbraw/zinc/24/37/22/213243722.db2.gz KJIXKZSZGUIZSR-SQXCIYSKSA-N 0 0 327.361 4.085 10 0 EIAERN Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2ccccc2-c2nnc(C)o2)s1 ZINC000069654702 215517917 /nfs/dbraw/zinc/51/79/17/215517917.db2.gz ZTSNGQLBSNGRNR-ZIAGYGMSSA-N 0 0 339.420 4.157 10 0 EIAERN O=c1[nH]c(NCc2cc(F)ccc2Br)cc2ccccc21 ZINC000038039505 213196106 /nfs/dbraw/zinc/19/61/06/213196106.db2.gz WCDQTDUWSBWHEV-UHFFFAOYSA-N 0 0 347.187 4.042 10 0 EIAERN Cc1nccc(CN[C@@H](c2cccs2)c2ccc(Cl)s2)n1 ZINC000038037752 213195943 /nfs/dbraw/zinc/19/59/43/213195943.db2.gz PSXWPZGFIUNBIL-HNNXBMFYSA-N 0 0 335.885 4.441 10 0 EIAERN Nc1ccc(Cl)cc1NC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000038001344 213186182 /nfs/dbraw/zinc/18/61/82/213186182.db2.gz UTCRVRWPTXSFCH-UHFFFAOYSA-N 0 0 345.613 4.247 10 0 EIAERN O=C([O-])[C@H]([NH2+]C1CCCCCC1)c1ccc(Br)cc1F ZINC000037972515 213177640 /nfs/dbraw/zinc/17/76/40/213177640.db2.gz REHKRRQYCUKGEQ-CQSZACIVSA-N 0 0 344.224 4.026 10 0 EIAERN Oc1ccc(NCc2nc3cc(Br)ccc3s2)cc1 ZINC000037605023 213160039 /nfs/dbraw/zinc/16/00/39/213160039.db2.gz PICSKGDNZJWNGY-UHFFFAOYSA-N 0 0 335.226 4.377 10 0 EIAERN CCOc1ccc([C@H]2c3cccn3CCCN2Cc2ccccn2)cc1 ZINC000037523522 213153672 /nfs/dbraw/zinc/15/36/72/213153672.db2.gz RXPLJJKKWJUJKD-QFIPXVFZSA-N 0 0 347.462 4.277 10 0 EIAERN Nc1cccc(Br)c1CSc1nc2ccccc2[nH]1 ZINC000037402373 213144199 /nfs/dbraw/zinc/14/41/99/213144199.db2.gz LCBKXPVRMSHONB-UHFFFAOYSA-N 0 0 334.242 4.200 10 0 EIAERN COc1ccc(F)cc1C(=O)c1ccc(Br)cc1Cl ZINC000037365610 213141758 /nfs/dbraw/zinc/14/17/58/213141758.db2.gz RIHNLPQDBOEIEN-UHFFFAOYSA-N 0 0 343.579 4.481 10 0 EIAERN O=C(c1ccc(F)cc1Br)c1c(F)cc(F)cc1F ZINC000037358962 213141609 /nfs/dbraw/zinc/14/16/09/213141609.db2.gz UFVQGOAFBJWXAK-UHFFFAOYSA-N 0 0 333.078 4.237 10 0 EIAERN Brc1cc2c(cc1NC1CCCCCC1)OCCO2 ZINC000036954660 213127338 /nfs/dbraw/zinc/12/73/38/213127338.db2.gz PUQKDKABHPHCIT-UHFFFAOYSA-N 0 0 326.234 4.355 10 0 EIAERN COc1ccc(N(C)c2nc(Cl)nc3ccccc32)cc1OC ZINC000036422824 213098520 /nfs/dbraw/zinc/09/85/20/213098520.db2.gz REQTXYJALZRJCF-UHFFFAOYSA-N 0 0 329.787 4.068 10 0 EIAERN COc1ccccc1NC(=O)c1cnc2[nH]cc(-c3ccoc3)c2c1 ZINC000036377555 213091838 /nfs/dbraw/zinc/09/18/38/213091838.db2.gz ODHOHSOBDBGRPR-UHFFFAOYSA-N 0 0 333.347 4.084 10 0 EIAERN Cc1cc(C)cc(OCc2nc(C(=O)N3CCC(C)CC3)cs2)c1 ZINC000036083996 213060322 /nfs/dbraw/zinc/06/03/22/213060322.db2.gz KAIAAJZDLFHKPD-UHFFFAOYSA-N 0 0 344.480 4.211 10 0 EIAERN C[C@@H](O)c1ccccc1Oc1ccccc1I ZINC000035650766 213044382 /nfs/dbraw/zinc/04/43/82/213044382.db2.gz IWJHPFXTMHEGEB-SNVBAGLBSA-N 0 0 340.160 4.137 10 0 EIAERN C[C@H](CCc1ccco1)Nc1ccc(I)cc1 ZINC000035451939 213029261 /nfs/dbraw/zinc/02/92/61/213029261.db2.gz AJRMJTMUKKXSRE-LLVKDONJSA-N 0 0 341.192 4.317 10 0 EIAERN C=CC(=O)NCc1nc2ccccc2n1Cc1cccc2ccccc21 ZINC000035143619 213011070 /nfs/dbraw/zinc/01/10/70/213011070.db2.gz XKNSMGYKYPTBQD-UHFFFAOYSA-N 0 0 341.414 4.040 10 0 EIAERN O=C(/C=C\c1ccccc1F)Nc1nnc(CC2CCCC2)s1 ZINC000034989940 213003113 /nfs/dbraw/zinc/00/31/13/213003113.db2.gz WPEVKOFCHJLUJE-KTKRTIGZSA-N 0 0 331.416 4.062 10 0 EIAERN O=C(Cc1nc2ccccc2s1)c1ccccc1Br ZINC000034940286 213002012 /nfs/dbraw/zinc/00/20/12/213002012.db2.gz WSNWYYDZIDXZKL-UHFFFAOYSA-N 0 0 332.222 4.484 10 0 EIAERN CSC1=Nc2sc3c(c2[C@@H](c2ccccc2)N1N)CCCC3 ZINC000033900441 212968724 /nfs/dbraw/zinc/96/87/24/212968724.db2.gz KRYYTWWDSXXZPL-OAHLLOKOSA-N 0 0 329.494 4.256 10 0 EIAERN Cc1cccc2c(C)cc(=O)n(CCOc3ccc(Cl)cc3)c12 ZINC000032530595 212808530 /nfs/dbraw/zinc/80/85/30/212808530.db2.gz FXXKFYPJOPKSHD-UHFFFAOYSA-N 0 0 327.811 4.351 10 0 EIAERN Brc1nc(OC2CCCCC2)sc1Br ZINC000072192971 216068290 /nfs/dbraw/zinc/06/82/90/216068290.db2.gz DFVJUZSRYJJEGG-UHFFFAOYSA-N 0 0 341.068 4.380 10 0 EIAERN COC(=O)c1cc2c(nc(-c3cccs3)cc2C(F)(F)F)o1 ZINC000072193582 216068581 /nfs/dbraw/zinc/06/85/81/216068581.db2.gz QZRUWBCCQXTYQD-UHFFFAOYSA-N 0 0 327.283 4.362 10 0 EIAERN Cc1ncsc1[C@H](C)Nc1cc(Br)ccc1N(C)C ZINC000037318321 213139776 /nfs/dbraw/zinc/13/97/76/213139776.db2.gz XOXDXFRMAZTBTK-JTQLQIEISA-N 0 0 340.290 4.453 10 0 EIAERN CCOc1nc(Nc2ccc(Cl)cc2)nc(NC2CCCC2)n1 ZINC000000053130 209392171 /nfs/dbraw/zinc/39/21/71/209392171.db2.gz AAIRFPOBTPKZFS-UHFFFAOYSA-N 0 0 333.823 4.022 10 0 EIAERN O=c1[nH]c(Nc2ccccc2Cl)nc2nccc(-c3ccccc3)c21 ZINC000072440028 216233118 /nfs/dbraw/zinc/23/31/18/216233118.db2.gz UXWDNXWOUBPMKK-UHFFFAOYSA-N 0 0 348.793 4.382 10 0 EIAERN Cc1ccc(Nc2nc3nccc(-c4ccc(C)cc4)c3c(=O)[nH]2)cc1 ZINC000072440333 216234357 /nfs/dbraw/zinc/23/43/57/216234357.db2.gz IGJBGHLXPWLAHR-UHFFFAOYSA-N 0 0 342.402 4.346 10 0 EIAERN Cc1cccc(Nc2nc3nccc(-c4ccsc4)c3c(=O)[nH]2)c1 ZINC000072441174 216235072 /nfs/dbraw/zinc/23/50/72/216235072.db2.gz BUDPWNUZHBJJLJ-UHFFFAOYSA-N 0 0 334.404 4.099 10 0 EIAERN CCc1nn2cc3c(nc2c1-c1ccc(Cl)cc1)CCCC3=O ZINC000072464061 216246679 /nfs/dbraw/zinc/24/66/79/216246679.db2.gz FQXJPACZWKSTBS-UHFFFAOYSA-N 0 0 325.799 4.131 10 0 EIAERN CCCNc1nc2c(s1)c(C)c(O)c(C)c2Cc1cccnc1 ZINC000026838421 212536977 /nfs/dbraw/zinc/53/69/77/212536977.db2.gz QCBIFAZLCZOUBG-UHFFFAOYSA-N 0 0 327.453 4.426 10 0 EIAERN COc1cc(C(=O)N[C@@H](C)C(C)C)cc(Cl)c1OCC(C)C ZINC000025975290 212503146 /nfs/dbraw/zinc/50/31/46/212503146.db2.gz IAABNPIWRNGOLM-LBPRGKRZSA-N 0 0 327.852 4.158 10 0 EIAERN COc1ccc(-c2cc(NC(=O)C(C)C)n(-c3ccc(C)cc3)n2)cc1 ZINC000022671089 212316087 /nfs/dbraw/zinc/31/60/87/212316087.db2.gz BHFGSKJDGFOAJC-UHFFFAOYSA-N 0 0 349.434 4.451 10 0 EIAERN Nc1ccc(NC(=O)c2ccc(F)cc2Br)c(Cl)c1 ZINC000022145069 212279024 /nfs/dbraw/zinc/27/90/24/212279024.db2.gz HKGCAMQZYJOUFM-UHFFFAOYSA-N 0 0 343.583 4.076 10 0 EIAERN Cc1cc(N)ccc1NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000227144873 242121431 /nfs/dbraw/zinc/12/14/31/242121431.db2.gz OPMWXJGATSJFSA-UHFFFAOYSA-N 0 0 332.403 4.409 10 0 EIAERN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(N)cc1C ZINC000227144841 242122482 /nfs/dbraw/zinc/12/24/82/242122482.db2.gz IZPVONWUTVVVQJ-UHFFFAOYSA-N 0 0 325.195 4.145 10 0 EIAERN Cc1cccc(-c2nc3ccc(N(C)C(=O)C(F)(F)F)cc3o2)c1 ZINC000226269939 242091969 /nfs/dbraw/zinc/09/19/69/242091969.db2.gz UORFHMFKHJZWHO-UHFFFAOYSA-N 0 0 334.297 4.328 10 0 EIAERN CCOc1cc(NC(=O)c2ccccc2Cl)cc2sc(N)nc21 ZINC000226309911 242095491 /nfs/dbraw/zinc/09/54/91/242095491.db2.gz HFECOVZRMURBFG-UHFFFAOYSA-N 0 0 347.827 4.183 10 0 EIAERN O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1cccc(-c2nc3ccccc3o2)c1 ZINC000021127753 212209940 /nfs/dbraw/zinc/20/99/40/212209940.db2.gz IXVZHSZFMUIJSK-HOTGVXAUSA-N 0 0 346.386 4.174 10 0 EIAERN CCCOc1ccc(Cl)cc1C[NH2+]Cc1ccc(C(=O)[O-])cc1 ZINC000020928907 212188534 /nfs/dbraw/zinc/18/85/34/212188534.db2.gz FJRLVNBCHGONQF-UHFFFAOYSA-N 0 0 333.815 4.117 10 0 EIAERN Clc1ccc2nc(-c3ccsc3)cc(N3CCOCC3)c2c1 ZINC000253495231 244003347 /nfs/dbraw/zinc/00/33/47/244003347.db2.gz NEZWOPDEHYAZLJ-UHFFFAOYSA-N 0 0 330.840 4.453 10 0 EIAERN Cc1ccccc1NC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000020369447 212123685 /nfs/dbraw/zinc/12/36/85/212123685.db2.gz GDXDSRPJVRUUKJ-UHFFFAOYSA-N 0 0 344.414 4.429 10 0 EIAERN COc1cc(Cl)c(C)cc1NC(=O)c1ccc(Cl)c(N)c1 ZINC000020193935 212109908 /nfs/dbraw/zinc/10/99/08/212109908.db2.gz PIEWZLMLTJKUCS-UHFFFAOYSA-N 0 0 325.195 4.145 10 0 EIAERN CCc1cccc(NCC(=O)Nc2ccc(Br)cc2)c1 ZINC000020054772 212099037 /nfs/dbraw/zinc/09/90/37/212099037.db2.gz GFPBXYFFNVHEOQ-UHFFFAOYSA-N 0 0 333.229 4.062 10 0 EIAERN COc1ccc(CNc2ccc(Br)cc2F)c(OC)c1 ZINC000019907941 212081935 /nfs/dbraw/zinc/08/19/35/212081935.db2.gz LPMIBRWIVPIJNB-UHFFFAOYSA-N 0 0 340.192 4.218 10 0 EIAERN Fc1ccccc1[C@@H]1CN(Cc2ccncc2)Cc2ccccc2O1 ZINC000019608593 212051048 /nfs/dbraw/zinc/05/10/48/212051048.db2.gz NLXUQVAFBSAJNJ-NRFANRHFSA-N 0 0 334.394 4.357 10 0 EIAERN Cc1ccc(N)c(C)c1NC(=O)c1cc(Br)ccc1F ZINC000019519202 212037347 /nfs/dbraw/zinc/03/73/47/212037347.db2.gz DDAOWRRJPGNZQG-UHFFFAOYSA-N 0 0 337.192 4.040 10 0 EIAERN Cc1ccc(N)c(C)c1NC(=O)c1cc(F)ccc1Br ZINC000019432754 212026977 /nfs/dbraw/zinc/02/69/77/212026977.db2.gz JIFDOHVAKWOYLI-UHFFFAOYSA-N 0 0 337.192 4.040 10 0 EIAERN CN(Cc1cccc(Cl)c1)c1ccc(Br)cc1N ZINC000042437234 213505857 /nfs/dbraw/zinc/50/58/57/213505857.db2.gz IGFRJFZTYKTARQ-UHFFFAOYSA-N 0 0 325.637 4.321 10 0 EIAERN CC(C)c1n[nH]c(=S)n1[C@H](C)c1cccc(Br)c1 ZINC000049569217 214020174 /nfs/dbraw/zinc/02/01/74/214020174.db2.gz YJTGPVMNOALIEY-SECBINFHSA-N 0 0 326.263 4.436 10 0 EIAERN O=C(N[C@@H](c1cc2ccncc2[nH]1)c1ccccc1)c1ccccc1 ZINC000144253657 223720884 /nfs/dbraw/zinc/72/08/84/223720884.db2.gz UOXVWEUAQOTOKL-HXUWFJFHSA-N 0 0 327.387 4.082 10 0 EIAERN O=S(=O)(c1ccccc1)c1cnc2ccc(Cl)cc2c1Cl ZINC000085345594 217660126 /nfs/dbraw/zinc/66/01/26/217660126.db2.gz BFDTXKCHEMOWMY-UHFFFAOYSA-N 0 0 338.215 4.374 10 0 EIAERN COC(=O)c1sc2ncnc(Nc3ccc(Cl)cc3)c2c1C ZINC000012131601 211301413 /nfs/dbraw/zinc/30/14/13/211301413.db2.gz QVTQNESIJYRNCL-UHFFFAOYSA-N 0 0 333.800 4.183 10 0 EIAERN CC[C@@H]1CN(Cc2c(C)nn(CC)c2C)Cc2ccc(Cl)cc2O1 ZINC000012150724 211307642 /nfs/dbraw/zinc/30/76/42/211307642.db2.gz GRTCJZQSUZUFLT-QGZVFWFLSA-N 0 0 347.890 4.346 10 0 EIAERN Cc1cc(NC(=O)CC(C)C)n(-c2nc(-c3cccs3)cs2)n1 ZINC000011693788 211236441 /nfs/dbraw/zinc/23/64/41/211236441.db2.gz GQKJZDDCXIEZFM-UHFFFAOYSA-N 0 0 346.481 4.350 10 0 EIAERN COc1ccc(-c2ccc(OC)cc2C(=O)NCc2ccccc2)cc1 ZINC000009925810 211134765 /nfs/dbraw/zinc/13/47/65/211134765.db2.gz NKOZWGPWXIOLEN-UHFFFAOYSA-N 0 0 347.414 4.301 10 0 EIAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1COc1nc2ccccc2s1 ZINC000095086650 218277476 /nfs/dbraw/zinc/27/74/76/218277476.db2.gz BWSQHRGQYJNRKZ-CYBMUJFWSA-N 0 0 348.468 4.465 10 0 EIAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CNc1nsc2ccccc21 ZINC000095086512 218277570 /nfs/dbraw/zinc/27/75/70/218277570.db2.gz REGIPWNSJJEGDY-CYBMUJFWSA-N 0 0 347.484 4.498 10 0 EIAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CCCOCc1cncs1 ZINC000095086306 218277625 /nfs/dbraw/zinc/27/76/25/218277625.db2.gz FIUIWCARQMTYOB-CQSZACIVSA-N 0 0 340.489 4.230 10 0 EIAERN CC(C)NS(=O)(=O)[C@H](C)c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000095088521 218278689 /nfs/dbraw/zinc/27/86/89/218278689.db2.gz XTCSPCHMGFGYAE-CQSZACIVSA-N 0 0 337.529 4.424 10 0 EIAERN COc1ccc(CC(=O)Nc2cccc(Cl)c2Cl)c(OC)c1 ZINC000008803055 211008187 /nfs/dbraw/zinc/00/81/87/211008187.db2.gz MDETWRNTDPJREH-UHFFFAOYSA-N 0 0 340.206 4.192 10 0 EIAERN Cc1nc2ccccc2c2c1C(=O)N(c1ccc(Cl)cc1F)C2=O ZINC000006418324 210631066 /nfs/dbraw/zinc/63/10/66/210631066.db2.gz ZSJWSYNZAAHXJS-UHFFFAOYSA-N 0 0 340.741 4.136 10 0 EIAERN CCCCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1 ZINC000005025882 210365552 /nfs/dbraw/zinc/36/55/52/210365552.db2.gz VTRJZFQRCCPLCU-UHFFFAOYSA-N 0 0 347.871 4.485 10 0 EIAERN Cc1ccc(Nc2c3[nH]cccc-3c(=O)n2Cc2ccccc2)cc1F ZINC000004960551 210339980 /nfs/dbraw/zinc/33/99/80/210339980.db2.gz ZHFSUBGFEOOCRB-FQEVSTJZSA-N 0 0 347.393 4.296 10 0 EIAERN CCc1ccc([C@@H](C)Nc2ccccc2S(=O)(=O)C(F)F)cc1 ZINC000097393706 219022027 /nfs/dbraw/zinc/02/20/27/219022027.db2.gz JRDADCPCWSNLIA-GFCCVEGCSA-N 0 0 339.407 4.418 10 0 EIAERN Cc1ccc(CSc2nnc([C@@H](N)Cc3ccccc3)o2)cc1C ZINC000040173891 258003455 /nfs/dbraw/zinc/00/34/55/258003455.db2.gz LHJGWDUJNPWUQX-KRWDZBQOSA-N 0 0 339.464 4.221 10 0 EIAERN CCN(C(=O)C(F)(F)F)c1ccc(N2CCC(C)CC2)c(Cl)c1 ZINC000226284853 135593794 /nfs/dbraw/zinc/59/37/94/135593794.db2.gz QQHUGGXVZYFTQP-UHFFFAOYSA-N 0 0 348.796 4.492 10 0 EIAERN Cc1ccc(/C=C\C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000005931954 135673314 /nfs/dbraw/zinc/67/33/14/135673314.db2.gz SGIQHXFQQOOROJ-KTKRTIGZSA-N 0 0 340.854 4.010 10 0 EIAERN CC[C@@H](C)SCC(=O)c1ccc(I)cc1 ZINC000034980801 564177512 /nfs/dbraw/zinc/17/75/12/564177512.db2.gz RSUGQFCETVQHGN-SECBINFHSA-N 0 0 334.222 4.006 10 0 EIAERN O[C@](c1ccccc1)(c1cncnc1)c1ccc(Cl)cc1Cl ZINC000005341427 560201402 /nfs/dbraw/zinc/20/14/02/560201402.db2.gz MYUPFXPCYUISAG-QGZVFWFLSA-N 0 0 331.202 4.068 10 0 in-vitro EIAERN O[C@@](c1ccccc1)(c1cncnc1)c1ccc(Cl)cc1Cl ZINC000005934350 560203786 /nfs/dbraw/zinc/20/37/86/560203786.db2.gz MYUPFXPCYUISAG-KRWDZBQOSA-N 0 0 331.202 4.068 10 0 in-vitro EIAERN COc1cccc(C(=O)Nc2ccn(-c3ccc(C(C)C)cc3)n2)c1 ZINC000034909307 563482029 /nfs/dbraw/zinc/48/20/29/563482029.db2.gz JPVWXNRBEULFCY-UHFFFAOYSA-N 0 0 335.407 4.257 10 0 EIAERN CC1(C)C=Cc2c(cc(=O)c3c(O)cc(-c4ccc(O)cc4)oc2-3)O1 ZINC000013373993 563697011 /nfs/dbraw/zinc/69/70/11/563697011.db2.gz YEUHAZULDUVZLA-UHFFFAOYSA-N 0 0 336.343 4.055 10 0 endogenous,in-man EIAERN CC(C)C[C@H]1CC(=O)N(C2(C(=O)NC3CCCC3)CCCCCC2)C1 ZINC000033436033 563916069 /nfs/dbraw/zinc/91/60/69/563916069.db2.gz TXGOWHVJUQCDLM-KRWDZBQOSA-N 0 0 348.531 4.033 10 0 EIAERN Cc1cccc(C(=O)Cc2ccnc3ccc(Br)cc23)n1 ZINC000044831252 563926713 /nfs/dbraw/zinc/92/67/13/563926713.db2.gz RJWSUIBCCYEGBN-UHFFFAOYSA-N 0 0 341.208 4.126 10 0 EIAERN C[C@@H]1CN(CC(=O)Nc2cccc(Cl)c2)c2ccccc2S1 ZINC000033059181 563950124 /nfs/dbraw/zinc/95/01/24/563950124.db2.gz JWVHVTGXLHXMTM-GFCCVEGCSA-N 0 0 332.856 4.279 10 0 EIAERN CC(C)(C)OC(=O)c1cccc(CNC(=O)OCc2ccccc2)c1 ZINC000379425902 563971898 /nfs/dbraw/zinc/97/18/98/563971898.db2.gz COLWBDRSFNFVGA-UHFFFAOYSA-N 0 0 341.407 4.068 10 0 EIAERN Cc1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1 ZINC000091301355 563975233 /nfs/dbraw/zinc/97/52/33/563975233.db2.gz UOBFFJSSRGNBFO-UHFFFAOYSA-N 0 0 325.415 4.427 10 0 EIAERN CC(C)(C)OC(=O)NCc1ccc(C(=O)Cc2ccc(F)cc2)cc1 ZINC000095917831 563977752 /nfs/dbraw/zinc/97/77/52/563977752.db2.gz YQWDJFDYAUQTHO-UHFFFAOYSA-N 0 0 343.398 4.276 10 0 EIAERN CCCCCC[C@H](O)CC(=O)O[C@@H](CCCCCC)CC(=O)OC ZINC000604381428 564034629 /nfs/dbraw/zinc/03/46/29/564034629.db2.gz RTRZNFRQFSTUCO-IRXDYDNUSA-N 0 0 344.492 4.153 10 0 EIAERN CCCCCC[C@@H](O)CC(=O)O[C@@H](CCCCCC)CC(=O)OC ZINC000604381429 564034636 /nfs/dbraw/zinc/03/46/36/564034636.db2.gz RTRZNFRQFSTUCO-SJORKVTESA-N 0 0 344.492 4.153 10 0 EIAERN CN(C)c1ccc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1 ZINC000669371067 564084037 /nfs/dbraw/zinc/08/40/37/564084037.db2.gz WCLRKWGLASKMDH-UHFFFAOYSA-N 0 0 336.432 4.429 10 0 EIAERN CCc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(N)c2)cc1 ZINC000226265874 564117234 /nfs/dbraw/zinc/11/72/34/564117234.db2.gz OSKRELSEWWUICZ-UHFFFAOYSA-N 0 0 337.467 4.320 10 0 EIAERN O=C1c2ccccc2[C@@](O)(c2ccc(Cl)cc2)N1C1CCCCC1 ZINC000048523031 564129253 /nfs/dbraw/zinc/12/92/53/564129253.db2.gz PDXRIBWWSJXEGB-FQEVSTJZSA-N 0 0 341.838 4.322 10 0 EIAERN CC(C)(C)c1ccc(C2=CSC(NC3=NCCCCC3)=NN2)cc1 ZINC000048554799 564129422 /nfs/dbraw/zinc/12/94/22/564129422.db2.gz SXUOQEFNPPTSDL-UHFFFAOYSA-N 0 0 342.512 4.452 10 0 EIAERN Cc1ccc(NC(=O)O[C@H](C)CNC(=O)Oc2cccc(C)c2)cc1 ZINC000003176179 564155674 /nfs/dbraw/zinc/15/56/74/564155674.db2.gz KPPROVOBVMYODX-OAHLLOKOSA-N 0 0 342.395 4.029 10 0 EIAERN CCc1nc(C(Cl)(Cl)Cl)nc(Cl)c1Br ZINC000685958856 564177073 /nfs/dbraw/zinc/17/70/73/564177073.db2.gz HMIQYQICWFTOBI-UHFFFAOYSA-N 0 0 338.847 4.282 10 0 EIAERN CC[C@H](CNC(=O)OC(C)(C)C)C(=O)CCCOCc1ccccc1 ZINC000405907786 564177621 /nfs/dbraw/zinc/17/76/21/564177621.db2.gz SFXLPAAVENDDJL-QGZVFWFLSA-N 0 0 349.471 4.103 10 0 EIAERN