smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1noc(C)c1CSc1ccccc1C(=O)N1CCCCCC1 ZINC000050079087 214044273 /nfs/dbraw/zinc/04/42/73/214044273.db2.gz HAPLBQOOOIIWIS-UHFFFAOYSA-N 0 0 344.480 4.600 50 0 EJAARN COc1cc(NC(=O)Nc2ccc(C)c(C)c2)c(OC)cc1Cl ZINC000051354191 214090002 /nfs/dbraw/zinc/09/00/02/214090002.db2.gz XQIJLRFMINLLIJ-UHFFFAOYSA-N 0 0 334.803 4.618 50 0 EJAARN Cc1ccc(NC(=O)Nc2ccc(F)cc2Br)cc1C ZINC000051354172 214090395 /nfs/dbraw/zinc/09/03/95/214090395.db2.gz HXVKZEKCTTUZAO-UHFFFAOYSA-N 0 0 337.192 4.849 50 0 EJAARN COc1cccc(-c2noc(COc3cc(C)c(Cl)c(C)c3)n2)c1 ZINC000006810052 201699426 /nfs/dbraw/zinc/69/94/26/201699426.db2.gz OUYYAYIWTCRRRH-UHFFFAOYSA-N 0 0 344.798 4.594 50 0 EJAARN COc1ccc(-c2nc(CSc3nc(C)cs3)cs2)cc1 ZINC000006881210 201703784 /nfs/dbraw/zinc/70/37/84/201703784.db2.gz HGAWYIKNFNBIDO-UHFFFAOYSA-N 0 0 334.491 4.876 50 0 EJAARN Cc1nc(CNc2nc(-c3cccs3)nc3ccccc32)cs1 ZINC000052402893 214126690 /nfs/dbraw/zinc/12/66/90/214126690.db2.gz YUQSTKIRSSMUOX-UHFFFAOYSA-N 0 0 338.461 4.735 50 0 EJAARN Clc1ccc(-c2nnc(CN3CCC[C@H]3c3ccsc3)o2)cc1 ZINC000052803277 214147518 /nfs/dbraw/zinc/14/75/18/214147518.db2.gz YHWCFVCZAGOMCN-HNNXBMFYSA-N 0 0 345.855 4.789 50 0 EJAARN Cc1ccc(-c2nc(SCc3cccc4cccnc43)n[nH]2)cc1 ZINC000054154980 214220215 /nfs/dbraw/zinc/22/02/15/214220215.db2.gz FCVHFENCVXXVSK-UHFFFAOYSA-N 0 0 332.432 4.621 50 0 EJAARN CN(Cc1cc(C(C)(C)C)n[nH]1)Cc1ccc2cccc(Cl)c2n1 ZINC000097713586 219050894 /nfs/dbraw/zinc/05/08/94/219050894.db2.gz KFIYPIJBBSLKEI-UHFFFAOYSA-N 0 0 342.874 4.541 50 0 EJAARN C[C@@H](NC(=O)Cc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000004699750 210251931 /nfs/dbraw/zinc/25/19/31/210251931.db2.gz QMUSXEVVGOSOSK-SFAMEIPESA-N 0 0 331.887 4.604 50 0 EJAARN CCCCN(C(=O)c1ccc2nccnc2c1)C1CCCCCC1 ZINC000055271024 214298760 /nfs/dbraw/zinc/29/87/60/214298760.db2.gz HIWPSNYCIQPRQD-UHFFFAOYSA-N 0 0 325.456 4.595 50 0 EJAARN CC[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CC1CCC(=O)CC1 ZINC000055270214 214298803 /nfs/dbraw/zinc/29/88/03/214298803.db2.gz GUMCMAPSUMTVEX-AWEZNQCLSA-N 0 0 335.875 4.617 50 0 EJAARN c1cc(CN(Cc2cccnc2)Cc2cccc3cnccc32)cs1 ZINC000055284005 214301495 /nfs/dbraw/zinc/30/14/95/214301495.db2.gz WHLLEPUSBPHTCL-UHFFFAOYSA-N 0 0 345.471 4.894 50 0 EJAARN Cc1cccc(NC(=O)C(=O)NC2CCCCCCCCCCC2)c1 ZINC000004694312 210248629 /nfs/dbraw/zinc/24/86/29/210248629.db2.gz VBAOADHODOYZOA-UHFFFAOYSA-N 0 0 344.499 4.723 50 0 EJAARN Cc1ccccc1NC(=O)C(=O)NC1CCCCCCCCCCC1 ZINC000004694310 210248749 /nfs/dbraw/zinc/24/87/49/210248749.db2.gz AZMLQDRHLZJZAI-UHFFFAOYSA-N 0 0 344.499 4.723 50 0 EJAARN CN(C(=O)c1cccc(OCc2cccs2)c1)c1ccc(F)cc1 ZINC000055751240 214340373 /nfs/dbraw/zinc/34/03/73/214340373.db2.gz OUUBSRHXDDIXEC-UHFFFAOYSA-N 0 0 341.407 4.743 50 0 EJAARN c1ccc(C2=NN(c3ccccc3)[C@]3(c4ccccc4)CC[C@@H]3N2)cc1 ZINC000004671110 210242480 /nfs/dbraw/zinc/24/24/80/210242480.db2.gz GDZHOQWIHOHPDP-GMAHTHKFSA-N 0 0 339.442 4.516 50 0 EJAARN Cc1ccc([C@@H](C)NC(=O)c2cc3c(ccc(Cl)c3Cl)[nH]2)o1 ZINC000057991655 214469021 /nfs/dbraw/zinc/46/90/21/214469021.db2.gz LBUAHOQQJGETGQ-SECBINFHSA-N 0 0 337.206 4.867 50 0 EJAARN COc1ccccc1[C@H](C)NCc1csc(-c2ccsc2)n1 ZINC000058004625 214469711 /nfs/dbraw/zinc/46/97/11/214469711.db2.gz HGHQCXZBPMOLDB-LBPRGKRZSA-N 0 0 330.478 4.731 50 0 EJAARN O=C(CSCc1cccc(Cl)c1)N[C@@H]1CCCc2ccccc21 ZINC000058014151 214471104 /nfs/dbraw/zinc/47/11/04/214471104.db2.gz TXOADUDLUXPDJQ-GOSISDBHSA-N 0 0 345.895 4.767 50 0 EJAARN Cc1[nH]c2c(cc(C)cc2CNc2nccc(C(F)(F)F)n2)c1C ZINC000058032443 214473324 /nfs/dbraw/zinc/47/33/24/214473324.db2.gz NYUPQWCQCRMPAQ-UHFFFAOYSA-N 0 0 334.345 4.514 50 0 EJAARN Clc1cccc(-c2nnc3sc(/C=C/c4ccccc4)nn32)c1 ZINC000004664972 210241040 /nfs/dbraw/zinc/24/10/40/210241040.db2.gz KVJHXCYCADKZIP-MDZDMXLPSA-N 0 0 338.823 4.677 50 0 EJAARN CCCc1ccc(-c2ccc(-c3noc(-c4ccncc4)n3)cc2)nc1 ZINC000004663331 210240037 /nfs/dbraw/zinc/24/00/37/210240037.db2.gz NUDNBRAOFIVLSW-UHFFFAOYSA-N 0 0 342.402 4.813 50 0 EJAARN COc1cccc(-c2csc(NC(=O)c3ccc(Cl)cc3)n2)c1 ZINC000004656524 210239793 /nfs/dbraw/zinc/23/97/93/210239793.db2.gz ITDLGMQCQMHKSE-UHFFFAOYSA-N 0 0 344.823 4.724 50 0 EJAARN O=C1OC(c2ccc(Cl)c(Cl)c2)=N/C1=C/C=C/c1ccccc1 ZINC000004644455 210236618 /nfs/dbraw/zinc/23/66/18/210236618.db2.gz UINVCBFYTFZJBP-LHQXNBGVSA-N 0 0 344.197 4.894 50 0 EJAARN O=C(CC12CC3CC(CC(C3)C1)C2)OCc1nc2ccccc2s1 ZINC000004625761 210233655 /nfs/dbraw/zinc/23/36/55/210233655.db2.gz SGYJWQMKLAMHHE-UHFFFAOYSA-N 0 0 341.476 4.946 50 0 EJAARN CCC[C@H](C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C)c1ccccc1 ZINC000049649856 214025695 /nfs/dbraw/zinc/02/56/95/214025695.db2.gz QCEWAJPRXDIRDG-PXNSSMCTSA-N 0 0 349.478 4.960 50 0 EJAARN CC(=O)Nc1ccccc1/C=C/c1ccc2c(C)cc(C)c(O)c2n1 ZINC000004612644 210231753 /nfs/dbraw/zinc/23/17/53/210231753.db2.gz MLPIRNKPHUVEJQ-CMDGGOBGSA-N 0 0 332.403 4.686 50 0 aggregator EJAARN Cc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1Cl ZINC000004599763 210230880 /nfs/dbraw/zinc/23/08/80/210230880.db2.gz PAUIKYYQRTWLSF-UHFFFAOYSA-N 0 0 331.843 4.963 50 0 EJAARN CCOc1cc(-c2ccccc2)sc1C(=O)Nc1nc(C)cs1 ZINC000059298318 214616064 /nfs/dbraw/zinc/61/60/64/214616064.db2.gz KAUGIDWDWXUBMY-UHFFFAOYSA-N 0 0 344.461 4.831 50 0 EJAARN CC(C)(C)c1ccc(C2=N/C(=C\c3ccc(Cl)cc3)C(=O)O2)cc1 ZINC000004588261 210228244 /nfs/dbraw/zinc/22/82/44/210228244.db2.gz DROUWIOVNGPAMT-ATVHPVEESA-N 0 0 339.822 4.982 50 0 EJAARN O=C1C[C@@H](c2cccs2)c2cnn(Cc3ccccc3Cl)c2N1 ZINC000049549970 214017769 /nfs/dbraw/zinc/01/77/69/214017769.db2.gz QZPXQKNMBSKHKJ-GFCCVEGCSA-N 0 0 343.839 4.770 50 0 EJAARN O=C1C[C@@H](c2cccc(Cl)c2)c2cnn(Cc3ccccc3)c2N1 ZINC000049544986 214016518 /nfs/dbraw/zinc/01/65/18/214016518.db2.gz ICCGWYLXFYDCRA-INIZCTEOSA-N 0 0 337.810 4.708 50 0 EJAARN N=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1c1ccccc1F ZINC000004580480 210225786 /nfs/dbraw/zinc/22/57/86/210225786.db2.gz NOBDODTYPCIJDS-OGJKRULYSA-N 0 0 332.787 4.535 50 0 EJAARN Cc1sc2[nH]c(-c3ccc(-c4ccc(O)cc4)cc3)nc(=O)c2c1C ZINC000060476748 214638923 /nfs/dbraw/zinc/63/89/23/214638923.db2.gz RLGRCSXFJIROQC-UHFFFAOYSA-N 0 0 348.427 4.641 50 0 EJAARN COc1ccccc1NC(=O)N(C1=NCCC1)c1ccc(Cl)cc1 ZINC000004570545 210223797 /nfs/dbraw/zinc/22/37/97/210223797.db2.gz MNOAKAKSKSGZJK-UHFFFAOYSA-N 0 0 343.814 4.579 50 0 EJAARN Cc1ccc(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000004542127 210218032 /nfs/dbraw/zinc/21/80/32/210218032.db2.gz MHHJHGNDXALPIQ-UHFFFAOYSA-N 0 0 344.625 4.973 50 0 EJAARN COc1cccc(CCC(=O)Nc2cccc(Cl)c2C)c1Cl ZINC000004542830 210218061 /nfs/dbraw/zinc/21/80/61/210218061.db2.gz YORIOUUOWWWAFT-UHFFFAOYSA-N 0 0 338.234 4.882 50 0 EJAARN COc1cccc(/C=C/C(=O)Nc2cccc(Cl)c2C)c1Cl ZINC000004542751 210217978 /nfs/dbraw/zinc/21/79/78/210217978.db2.gz VPAWXMLKWNNWTB-MDZDMXLPSA-N 0 0 336.218 4.962 50 0 EJAARN Cc1cc(C)nc(SCc2ccc(C(=O)Nc3ccccc3)cc2)n1 ZINC000004538333 210217007 /nfs/dbraw/zinc/21/70/07/210217007.db2.gz PYRHYGSOCKQKPN-UHFFFAOYSA-N 0 0 349.459 4.638 50 0 EJAARN CC(C)c1nnc(NC(=O)c2ccc(-c3ccccc3Cl)o2)s1 ZINC000004539401 210216853 /nfs/dbraw/zinc/21/68/53/210216853.db2.gz MQKHQPBWLOBQGN-UHFFFAOYSA-N 0 0 347.827 4.827 50 0 EJAARN c1coc(C/N=c2\scc(-c3ccccc3)n2-c2ccccc2)c1 ZINC000100052982 219089855 /nfs/dbraw/zinc/08/98/55/219089855.db2.gz AWOSEVVAGGVRBE-MRCUWXFGSA-N 0 0 332.428 4.900 50 0 EJAARN CCc1ccc([C@H]2CC(c3ccc(Cl)cc3)=Nc3ncnn32)cc1 ZINC000100072419 219090791 /nfs/dbraw/zinc/09/07/91/219090791.db2.gz PQCBUMUOEOTEOB-GOSISDBHSA-N 0 0 336.826 4.550 50 0 EJAARN COc1ccc(C)c2sc(NC(=O)c3ccc(SC)cc3)nc21 ZINC000004517696 210211588 /nfs/dbraw/zinc/21/15/88/210211588.db2.gz OFPIQXALOJMRCX-UHFFFAOYSA-N 0 0 344.461 4.588 50 0 EJAARN CCOc1cccc2sc(NC(=O)c3ccccc3SC)nc21 ZINC000004517379 210211458 /nfs/dbraw/zinc/21/14/58/210211458.db2.gz SHPUYBKYGUXJSM-UHFFFAOYSA-N 0 0 344.461 4.669 50 0 EJAARN COc1ccc(C)c2sc(NC(=O)c3cccc(SC)c3)nc21 ZINC000004517564 210211244 /nfs/dbraw/zinc/21/12/44/210211244.db2.gz MTCINQOURJXKBM-UHFFFAOYSA-N 0 0 344.461 4.588 50 0 EJAARN CSc1ccccc1C(=O)Nc1nc2c(ccc(C)c2C)s1 ZINC000004517433 210211327 /nfs/dbraw/zinc/21/13/27/210211327.db2.gz GLHTXESRNBRESC-UHFFFAOYSA-N 0 0 328.462 4.887 50 0 EJAARN CC(C)(C)c1ccc(N2C(=O)C[C@H](CC=Cc3ccccc3)C2=O)cc1 ZINC000100208339 219094075 /nfs/dbraw/zinc/09/40/75/219094075.db2.gz MEGNIGYUTRHKTL-HKMNZKMDSA-N 0 0 347.458 4.967 50 0 EJAARN Clc1cccc2c1CC[C@H]2NCc1csc(-c2ccccn2)n1 ZINC000062258109 214707794 /nfs/dbraw/zinc/70/77/94/214707794.db2.gz ILHVBHZLUTUPPP-MRXNPFEDSA-N 0 0 341.867 4.636 50 0 EJAARN Cc1ccc(SCC(=O)Nc2ccc3c4c(cccc42)CC3)cc1 ZINC000004496475 210204025 /nfs/dbraw/zinc/20/40/25/210204025.db2.gz RRNJLJIHJYHQSA-UHFFFAOYSA-N 0 0 333.456 4.978 50 0 EJAARN Cc1ccc(SCC(=O)Nc2nc3cc(C)cc(C)c3s2)cc1 ZINC000004496502 210203456 /nfs/dbraw/zinc/20/34/56/210203456.db2.gz NZCBCYXJQIOIKG-UHFFFAOYSA-N 0 0 342.489 4.952 50 0 EJAARN CCOc1ccc2c(c1)C(c1ccccc1)=NNC(c1ccccc1)=N2 ZINC000100581660 219102049 /nfs/dbraw/zinc/10/20/49/219102049.db2.gz JAXOWPJPXYASFE-UHFFFAOYSA-N 0 0 341.414 4.519 50 0 aggregator EJAARN Cc1cccc(NC(=O)c2nn(-c3ccc(F)cc3)c3ccccc23)c1 ZINC000064474172 214788522 /nfs/dbraw/zinc/78/85/22/214788522.db2.gz LCQXTUJHEZFCEF-UHFFFAOYSA-N 0 0 345.377 4.725 50 0 EJAARN Cc1nnc(SCc2ccccc2)nc1SCc1ccccc1 ZINC000004422822 210190366 /nfs/dbraw/zinc/19/03/66/210190366.db2.gz FODSEQTXKZLVPR-UHFFFAOYSA-N 0 0 339.489 4.765 50 0 EJAARN CCOC(=O)c1nc2cc(C)c(C)cc2nc1Nc1cccc(CC)c1 ZINC000064690423 214800552 /nfs/dbraw/zinc/80/05/52/214800552.db2.gz VHUPQKWHOVKEAT-UHFFFAOYSA-N 0 0 349.434 4.729 50 0 EJAARN Fc1cccc(Cl)c1Cn1c2ccccc2nc1[C@H]1CCCO1 ZINC000004386854 210186272 /nfs/dbraw/zinc/18/62/72/210186272.db2.gz KPXKNCDJXFZHJL-QGZVFWFLSA-N 0 0 330.790 4.729 50 0 EJAARN O=C(/C=C/c1ccc(OC(F)(F)F)cc1)Oc1ccc(Cl)cc1 ZINC000004390612 210186329 /nfs/dbraw/zinc/18/63/29/210186329.db2.gz XAFXIHXEXVIUCF-XCVCLJGOSA-N 0 0 342.700 4.857 50 0 EJAARN Clc1ccccc1OCCn1c2ccccc2nc1[C@@H]1CCCO1 ZINC000004386867 210186504 /nfs/dbraw/zinc/18/65/04/210186504.db2.gz VMQOKSFTBFHFNJ-SFHVURJKSA-N 0 0 342.826 4.620 50 0 EJAARN COc1ccc2c(c1)CC[C@@H]1C2=NN(C)[C@@H]1c1ccc(C(C)C)cc1 ZINC000004389085 210185892 /nfs/dbraw/zinc/18/58/92/210185892.db2.gz IRIXLCSAIUEHPF-IFMALSPDSA-N 0 0 334.463 4.772 50 0 EJAARN COc1c2ccc(Cl)cc2sc1C(=O)N(C)Cc1ccccc1 ZINC000064756725 214802531 /nfs/dbraw/zinc/80/25/31/214802531.db2.gz FGXOBZJIRHUWHV-UHFFFAOYSA-N 0 0 345.851 4.836 50 0 EJAARN COc1nc2ccccc2cc1-c1noc(-c2ccc(Cl)cc2)n1 ZINC000004383825 210183040 /nfs/dbraw/zinc/18/30/40/210183040.db2.gz BUISQFXXWDHESB-UHFFFAOYSA-N 0 0 337.766 4.614 50 0 EJAARN CC(=O)Nc1c2ccccc2oc1-c1cc(=O)oc2c(C)c(C)ccc12 ZINC000101074584 219115463 /nfs/dbraw/zinc/11/54/63/219115463.db2.gz QJLWCHRXYNFKJW-UHFFFAOYSA-N 0 0 347.370 4.781 50 0 EJAARN CCCSCCCNc1ncnc2c(-c3ccc(C)cc3)noc21 ZINC000064835084 214808703 /nfs/dbraw/zinc/80/87/03/214808703.db2.gz WYMXIECAAMCERX-UHFFFAOYSA-N 0 0 342.468 4.538 50 0 EJAARN CC(C)(C)c1ccc(NC(=O)NCCSCc2ccco2)cc1 ZINC000004364698 210180005 /nfs/dbraw/zinc/18/00/05/210180005.db2.gz KTBVLUUNEZQNNX-UHFFFAOYSA-N 0 0 332.469 4.632 50 0 EJAARN CCCCC(=O)Nc1oc2c(C)cccc2c(=O)c1-c1ccccc1 ZINC000101192209 219118672 /nfs/dbraw/zinc/11/86/72/219118672.db2.gz WRAHHNDOWCTZDT-UHFFFAOYSA-N 0 0 335.403 4.897 50 0 EJAARN CCCc1cc([C@H]2CCCN2C(=O)Nc2cc(C)ccc2C)no1 ZINC000064984648 214819748 /nfs/dbraw/zinc/81/97/48/214819748.db2.gz JBDOCVYZZPFJIE-GOSISDBHSA-N 0 0 327.428 4.613 50 0 EJAARN CCc1ccccc1NC(=O)N1CCC[C@@H]1c1cc(C(C)C)on1 ZINC000064984808 214819860 /nfs/dbraw/zinc/81/98/60/214819860.db2.gz IQZSDPWIROXQKU-QGZVFWFLSA-N 0 0 327.428 4.729 50 0 EJAARN Clc1ccc(C2=Nc3ncnn3[C@H](c3cccs3)C2)c(Cl)c1 ZINC000101254698 219120117 /nfs/dbraw/zinc/12/01/17/219120117.db2.gz RNPPAFOFQAFYCF-ZDUSSCGKSA-N 0 0 349.246 4.702 50 0 EJAARN Cc1cccc([C@H]2CCCCCN2S(=O)(=O)c2ccccc2C)c1 ZINC000064984231 214820426 /nfs/dbraw/zinc/82/04/26/214820426.db2.gz NICVYSIMNIWXSR-LJQANCHMSA-N 0 0 343.492 4.609 50 0 EJAARN CC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(C)c1O ZINC000004336005 210175023 /nfs/dbraw/zinc/17/50/23/210175023.db2.gz DVJIBCABDVKUPO-UHFFFAOYSA-N 0 0 325.191 4.789 50 0 EJAARN COC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C(C)C)cc1 ZINC000065114153 214829147 /nfs/dbraw/zinc/82/91/47/214829147.db2.gz BDWNKXBBXARHOE-UHFFFAOYSA-N 0 0 335.407 4.592 50 0 EJAARN COC(=O)c1cc(Nc2ccc(F)cc2F)c2cc(Cl)ccc2n1 ZINC000065033624 214824385 /nfs/dbraw/zinc/82/43/85/214824385.db2.gz GVGHPTYHLIOWFW-UHFFFAOYSA-N 0 0 348.736 4.697 50 0 EJAARN CCc1ccc2nc(C(=O)OC)cc(Nc3ccc(C)cc3C)c2c1 ZINC000065033761 214824782 /nfs/dbraw/zinc/82/47/82/214824782.db2.gz UXBUYCCIYBSLDA-UHFFFAOYSA-N 0 0 334.419 4.944 50 0 EJAARN CCOc1ccc(C(=O)Nc2nc3c(s2)c(Cl)ccc3C)cc1 ZINC000004331341 210172812 /nfs/dbraw/zinc/17/28/12/210172812.db2.gz BTBAHKOWSFISED-UHFFFAOYSA-N 0 0 346.839 4.909 50 0 EJAARN Cc1nc(NC2CCCCC2)sc1C(=O)Nc1ccc(C)c(F)c1 ZINC000065184709 214840247 /nfs/dbraw/zinc/84/02/47/214840247.db2.gz IMQDRJBHWKFUKG-UHFFFAOYSA-N 0 0 347.459 4.896 50 0 EJAARN COc1cc([C@H](C)NC(=O)C[C@@H]2C=CCC2)ccc1OC1CCCC1 ZINC000048331640 213922680 /nfs/dbraw/zinc/92/26/80/213922680.db2.gz MSGVGHHAMNDYGS-JKSUJKDBSA-N 0 0 343.467 4.550 50 0 EJAARN COc1ccc(-c2cccc3c2CCN(C(=O)CC(C)C)[C@@H]3C)cc1 ZINC000065293111 214867284 /nfs/dbraw/zinc/86/72/84/214867284.db2.gz ZCUJZZUHGMADKF-MRXNPFEDSA-N 0 0 337.463 4.854 50 0 EJAARN O=C(Nc1ccccc1-c1ccccc1)C(=O)c1c[nH]c2ccccc12 ZINC000004268556 210157288 /nfs/dbraw/zinc/15/72/88/210157288.db2.gz YEZRIBXANRYCPY-UHFFFAOYSA-N 0 0 340.382 4.656 50 0 EJAARN C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000008239105 201742591 /nfs/dbraw/zinc/74/25/91/201742591.db2.gz NWEQMMPONQXHHZ-VIFPVBQESA-N 0 0 328.170 4.539 50 0 EJAARN CC[C@@H](Oc1ccccc1F)C(=O)Nc1c(Cl)cccc1Cl ZINC000008477540 201750546 /nfs/dbraw/zinc/75/05/46/201750546.db2.gz JWLNXYKGQHDLFO-CYBMUJFWSA-N 0 0 342.197 4.929 50 0 EJAARN O=C(CCc1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1ccco1 ZINC000008734928 201758825 /nfs/dbraw/zinc/75/88/25/201758825.db2.gz UWVKKZSIVKUROQ-HXUWFJFHSA-N 0 0 344.414 4.590 50 0 EJAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NC(C)(C)C ZINC000065403220 214894028 /nfs/dbraw/zinc/89/40/28/214894028.db2.gz RKFQRLFFWNYBOJ-UHFFFAOYSA-N 0 0 342.386 4.666 50 0 EJAARN C[C@H](CCc1ccccc1)NC(=O)CSC/C=C/c1ccccc1 ZINC000008935683 201765240 /nfs/dbraw/zinc/76/52/40/201765240.db2.gz RZGVATMIHVDTHE-INMULRNOSA-N 0 0 339.504 4.571 50 0 EJAARN CN(Cc1ccco1)C(=O)Cn1c(-c2ccccc2)cc2ccccc21 ZINC000009157790 201769157 /nfs/dbraw/zinc/76/91/57/201769157.db2.gz FXVHYQBOFNSBBC-UHFFFAOYSA-N 0 0 344.414 4.560 50 0 EJAARN Cc1cccc(-c2noc(CCCC(=O)Nc3ccc(C)c(C)c3)n2)c1 ZINC000009196400 201770554 /nfs/dbraw/zinc/77/05/54/201770554.db2.gz UCMDWSOMRNSBLT-UHFFFAOYSA-N 0 0 349.434 4.623 50 0 EJAARN Cc1noc(C)c1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000009364235 201776054 /nfs/dbraw/zinc/77/60/54/201776054.db2.gz QHSJGPXJIJJVLP-UHFFFAOYSA-N 0 0 342.782 4.989 50 0 EJAARN COc1ccc(C)cc1NC(=O)c1sc2cccc(F)c2c1C ZINC000009548202 201782378 /nfs/dbraw/zinc/78/23/78/201782378.db2.gz WUPZXGOEYYXXST-UHFFFAOYSA-N 0 0 329.396 4.918 50 0 EJAARN CCOCc1c2ccccc2oc1C(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000009592015 201782672 /nfs/dbraw/zinc/78/26/72/201782672.db2.gz RCTSMESYSJZFNP-QAPCUYQASA-N 0 0 341.451 4.764 50 0 EJAARN Cn1cccc1[C@@H]1CCCCCN1C(=O)c1cc(Cl)ccc1F ZINC000036393632 201783551 /nfs/dbraw/zinc/78/35/51/201783551.db2.gz RSYXGYQOPHTBRH-KRWDZBQOSA-N 0 0 334.822 4.575 50 0 EJAARN CCCCc1ccc(NC(=O)C(=O)c2c(C)[nH]c3ccccc32)cc1 ZINC000004163636 210134947 /nfs/dbraw/zinc/13/49/47/210134947.db2.gz AHPRGNPXQUNOFK-UHFFFAOYSA-N 0 0 334.419 4.640 50 0 EJAARN CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccco2)N3)C1 ZINC000004153189 210133926 /nfs/dbraw/zinc/13/39/26/210133926.db2.gz WKVHBNOJINAGIT-BONVTDFDSA-N 0 0 330.453 4.921 50 0 aggregator EJAARN CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccco2)N3)C1 ZINC000004153192 210134060 /nfs/dbraw/zinc/13/40/60/210134060.db2.gz WKVHBNOJINAGIT-ZUZCIYMTSA-N 0 0 330.453 4.921 50 0 aggregator EJAARN CC(C)(C)C(=O)Nc1c2ccccc2oc1C(=O)Nc1ccccc1 ZINC000004148153 210133005 /nfs/dbraw/zinc/13/30/05/210133005.db2.gz LRHBNDREJPFSTL-UHFFFAOYSA-N 0 0 336.391 4.670 50 0 EJAARN Cc1cccc(C)c1NC(=S)N1CCc2[nH]c3ccccc3c2C1 ZINC000011089585 201806269 /nfs/dbraw/zinc/80/62/69/201806269.db2.gz GGRMLRODUVFUJD-UHFFFAOYSA-N 0 0 335.476 4.540 50 0 EJAARN O=C(Nc1ccc2sccc2c1)c1ccc(Br)cc1 ZINC000004134729 210129805 /nfs/dbraw/zinc/12/98/05/210129805.db2.gz HGCJDXWGYMBIHY-UHFFFAOYSA-N 0 0 332.222 4.916 50 0 EJAARN CCCCOc1ccc(NC(=O)CSCc2ccccc2)cc1 ZINC000012346256 201840368 /nfs/dbraw/zinc/84/03/68/201840368.db2.gz UAWRLEDSHIWFHP-UHFFFAOYSA-N 0 0 329.465 4.737 50 0 EJAARN CCOc1ccc2nc(SCc3cn4ccsc4n3)sc2c1 ZINC000012563350 201854298 /nfs/dbraw/zinc/85/42/98/201854298.db2.gz SMBLCARSNKLBNJ-UHFFFAOYSA-N 0 0 347.490 4.697 50 0 EJAARN COc1ccc(-c2nc3c(-c4ccccc4)cnn3cc2C)cc1F ZINC000004089441 210117634 /nfs/dbraw/zinc/11/76/34/210117634.db2.gz PFAKRWMTYUTCIK-UHFFFAOYSA-N 0 0 333.366 4.519 50 0 EJAARN O=C(Nc1nc2ccc(F)cc2s1)c1ccc2c(c1)CCCC2 ZINC000004088378 210117747 /nfs/dbraw/zinc/11/77/47/210117747.db2.gz WDODHMCFLOCLFH-UHFFFAOYSA-N 0 0 326.396 4.567 50 0 EJAARN COc1ccc([C@H](NC(=O)CCCc2cccs2)C(C)C)cc1 ZINC000012902914 201873533 /nfs/dbraw/zinc/87/35/33/201873533.db2.gz IUWAUHMFUGEAMH-LJQANCHMSA-N 0 0 331.481 4.593 50 0 EJAARN Cc1cccc(-c2nnc(NC(=O)c3c(F)cccc3Cl)s2)c1 ZINC000004079049 210114830 /nfs/dbraw/zinc/11/48/30/210114830.db2.gz OWZALHYZQHLWEZ-UHFFFAOYSA-N 0 0 347.802 4.558 50 0 EJAARN CCCCC1CCC(C(=O)Nc2nnc(SC(C)C)s2)CC1 ZINC000004079467 210114842 /nfs/dbraw/zinc/11/48/42/210114842.db2.gz CYPIKMHQGFOBPP-UHFFFAOYSA-N 0 0 341.546 4.974 50 0 EJAARN CC(=O)c1sc(NC(=O)C=Cc2ccccc2)nc1-c1ccccc1 ZINC000004070029 210112031 /nfs/dbraw/zinc/11/20/31/210112031.db2.gz PWGBTAXBUIROSY-OUKQBFOZSA-N 0 0 348.427 4.665 50 0 EJAARN CC(C)(C)c1ccc(NC[C@@](C)(O)COc2ccc(Cl)cc2)cc1 ZINC000004054636 210108927 /nfs/dbraw/zinc/10/89/27/210108927.db2.gz BEPCCEDJGNCXHZ-HXUWFJFHSA-N 0 0 347.886 4.879 50 0 EJAARN CC(=O)c1sc(NC(=O)c2ccc(-c3ccccc3)cc2)nc1C ZINC000004031932 210104231 /nfs/dbraw/zinc/10/42/31/210104231.db2.gz FSFSYVWOWFJRDI-UHFFFAOYSA-N 0 0 336.416 4.573 50 0 EJAARN Cc1ccc([C@H]2CCCN2C(=O)Cc2ccc(F)cc2Cl)cc1 ZINC000046017944 213773202 /nfs/dbraw/zinc/77/32/02/213773202.db2.gz SOTSBJPXBZCILW-GOSISDBHSA-N 0 0 331.818 4.694 50 0 EJAARN O=C1[C@H]2CCCC2=Nc2ccccc2N1Cc1c(F)cccc1Cl ZINC000101946696 219174284 /nfs/dbraw/zinc/17/42/84/219174284.db2.gz OIPIQIVBWFBLLL-LBPRGKRZSA-N 0 0 342.801 4.899 50 0 EJAARN CCCCCC1CCC(c2ccc(-n3c(C)n[nH]c3=O)cc2)CC1 ZINC000004037265 210105638 /nfs/dbraw/zinc/10/56/38/210105638.db2.gz BHSXCJRFXYACGP-UHFFFAOYSA-N 0 0 327.472 4.723 50 0 EJAARN COc1ccc(Cl)cc1NC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000013745107 201913389 /nfs/dbraw/zinc/91/33/89/201913389.db2.gz OJIDGMUTEYITAZ-QMMMGPOBSA-N 0 0 345.251 4.946 50 0 EJAARN CCCOC(=O)c1nc2ccccc2nc1Nc1ccccc1CC ZINC000045901174 213764732 /nfs/dbraw/zinc/76/47/32/213764732.db2.gz VNFUYRPSIPHKFW-UHFFFAOYSA-N 0 0 335.407 4.503 50 0 EJAARN O=c1c2ccccc2nc(/C=C/c2ccccc2)n1-c1ccccc1F ZINC000003912922 210093143 /nfs/dbraw/zinc/09/31/43/210093143.db2.gz YAFPKVOSQCFKAR-CCEZHUSRSA-N 0 0 342.373 4.695 50 0 EJAARN COc1ccc(-c2nc3ccccn3c2Nc2ccc(C)cc2)cc1O ZINC000003911601 210093023 /nfs/dbraw/zinc/09/30/23/210093023.db2.gz GEYRQPNSYPWJPG-UHFFFAOYSA-N 0 0 345.402 4.768 50 0 EJAARN O=C(Nc1c(Cl)cccc1Cl)c1cc(-c2cccs2)on1 ZINC000003908471 210091790 /nfs/dbraw/zinc/09/17/90/210091790.db2.gz RTTZJONVDYXPCZ-UHFFFAOYSA-N 0 0 339.203 4.962 50 0 EJAARN O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2cccs2)on1 ZINC000003908479 210091413 /nfs/dbraw/zinc/09/14/13/210091413.db2.gz PVJNKGIPEQPYJV-UHFFFAOYSA-N 0 0 338.310 4.674 50 0 EJAARN Cc1ccc(COc2ccc3c4c(c(=O)oc3c2C)CCCC4)cc1 ZINC000003892460 210085131 /nfs/dbraw/zinc/08/51/31/210085131.db2.gz NINDTSLEYQPTGB-UHFFFAOYSA-N 0 0 334.415 4.868 50 0 EJAARN c1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2)cc1 ZINC000003892300 210084488 /nfs/dbraw/zinc/08/44/88/210084488.db2.gz GWMCPCJSFNYUTI-UNMCSNQZSA-N 0 0 326.399 4.929 50 0 EJAARN CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000003824281 210077536 /nfs/dbraw/zinc/07/75/36/210077536.db2.gz PGTVWKLGGCQMBR-FLBATMFCSA-N 0 0 332.528 4.985 50 0 investigational EJAARN C[C@H](Sc1nnc(Cc2c(F)cccc2Cl)o1)c1cccnc1 ZINC000066257600 215027884 /nfs/dbraw/zinc/02/78/84/215027884.db2.gz SJQQXEMHQBVCBE-JTQLQIEISA-N 0 0 349.818 4.701 50 0 EJAARN CCN(CC)C(=O)c1cccc(NC(=O)c2ccc3ccccc3c2)c1 ZINC000014387211 201937378 /nfs/dbraw/zinc/93/73/78/201937378.db2.gz GZLYAWDCUGSNHR-UHFFFAOYSA-N 0 0 346.430 4.574 50 0 EJAARN Cc1ccc(OCCn2cc(C(=O)c3ccco3)c3ccccc32)cc1 ZINC000003655961 210072481 /nfs/dbraw/zinc/07/24/81/210072481.db2.gz NOILSTMKRHINNE-UHFFFAOYSA-N 0 0 345.398 4.853 50 0 EJAARN Cc1ccc(C)c(OCCn2cc(C(=O)C3CC3)c3ccccc32)c1 ZINC000003648646 210070112 /nfs/dbraw/zinc/07/01/12/210070112.db2.gz SSHUTBCESWBAPA-UHFFFAOYSA-N 0 0 333.431 4.930 50 0 EJAARN Cc1ccccc1N1C(=O)S[C@@H](Nc2ccc(C(C)C)cc2)C1=O ZINC000003647930 210069865 /nfs/dbraw/zinc/06/98/65/210069865.db2.gz XXTHDLNZLMKPAT-QGZVFWFLSA-N 0 0 340.448 4.756 50 0 EJAARN Cc1cccc(C)c1Oc1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 ZINC000102518165 219208825 /nfs/dbraw/zinc/20/88/25/219208825.db2.gz SCIWZTPUEVRHNT-RTBURBONSA-N 0 0 349.430 4.775 50 0 EJAARN C[C@H](NC(=O)CSc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000003455458 210043772 /nfs/dbraw/zinc/04/37/72/210043772.db2.gz RPROVBJKJBDBEV-LBPRGKRZSA-N 0 0 339.382 4.675 50 0 EJAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@@H](C)CCCC(C)C ZINC000003449340 210043414 /nfs/dbraw/zinc/04/34/14/210043414.db2.gz OWGOJWGYZXCZMV-AWEZNQCLSA-N 0 0 347.890 4.779 50 0 EJAARN O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1ccc(Cl)cc1 ZINC000003447614 210043164 /nfs/dbraw/zinc/04/31/64/210043164.db2.gz DKHPHIHRGWYARY-UHFFFAOYSA-N 0 0 340.835 4.814 50 0 EJAARN O=C(c1ccc(Cl)c(Cl)c1)N1CC=C(c2ccccc2)CC1 ZINC000003448761 210043302 /nfs/dbraw/zinc/04/33/02/210043302.db2.gz IMEAMHDEILIHBX-UHFFFAOYSA-N 0 0 332.230 4.923 50 0 EJAARN COc1cc(Cl)c(C)cc1NC(=O)Cc1c(F)cccc1Cl ZINC000003438427 210039236 /nfs/dbraw/zinc/03/92/36/210039236.db2.gz ZNIKOOOJJIYSKJ-UHFFFAOYSA-N 0 0 342.197 4.631 50 0 EJAARN CN(Cc1ccc(F)cc1)C(=O)COc1ccccc1-c1ccccc1 ZINC000003419590 210034917 /nfs/dbraw/zinc/03/49/17/210034917.db2.gz BKEZWEPPGPIFBL-UHFFFAOYSA-N 0 0 349.405 4.530 50 0 EJAARN CC[C@H](C(=O)OCC(=O)Nc1cccc2ccccc21)c1ccccc1 ZINC000003411397 210031577 /nfs/dbraw/zinc/03/15/77/210031577.db2.gz AIOTXRODCOJNBD-SFHVURJKSA-N 0 0 347.414 4.515 50 0 EJAARN Cc1cccc(C)c1NC(=O)c1cc(Br)ccc1Cl ZINC000003405347 210029300 /nfs/dbraw/zinc/02/93/00/210029300.db2.gz ODHNGGMRFAHFSI-UHFFFAOYSA-N 0 0 338.632 4.972 50 0 EJAARN O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc2ccccc2n1 ZINC000003400847 210028970 /nfs/dbraw/zinc/02/89/70/210028970.db2.gz VYRDSZKRZUOUQH-UHFFFAOYSA-N 0 0 348.736 4.742 50 0 EJAARN CSc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)CCC3)cc1 ZINC000102718926 219224467 /nfs/dbraw/zinc/22/44/67/219224467.db2.gz NRMAFGQFCVSLNO-MRXNPFEDSA-N 0 0 326.421 4.919 50 0 EJAARN CCSc1nc2sc(C)c(C)c2c(=O)n1-c1cccc(C)c1C ZINC000003380918 210022627 /nfs/dbraw/zinc/02/26/27/210022627.db2.gz IIBWHHQGTGXAPS-UHFFFAOYSA-N 0 0 344.505 4.793 50 0 EJAARN CC(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000003381755 210022511 /nfs/dbraw/zinc/02/25/11/210022511.db2.gz VZYXMHDXWRGUOU-UHFFFAOYSA-N 0 0 346.386 4.690 50 0 EJAARN CC1(C)CC(=O)C2C(=Nc3nonc3N[C@@H]2c2ccccc2Cl)C1 ZINC000102754612 219227344 /nfs/dbraw/zinc/22/73/44/219227344.db2.gz SKZOZRQWHVTYDG-CQSZACIVSA-N 0 0 344.802 4.594 50 0 EJAARN c1ccc(CSc2nnc(-c3ccccn3)n2-c2ccccc2)cc1 ZINC000003364518 210018531 /nfs/dbraw/zinc/01/85/31/210018531.db2.gz QHHBTSZEBIZEGQ-UHFFFAOYSA-N 0 0 344.443 4.622 50 0 EJAARN COc1ccc(-c2csc3ncnc(NCc4ccccc4)c23)cc1 ZINC000015174063 201952914 /nfs/dbraw/zinc/95/29/14/201952914.db2.gz OKYPVCHXWCGKJS-UHFFFAOYSA-N 0 0 347.443 4.979 50 0 EJAARN CC(C)c1ccc(C(=O)OCC(=O)Nc2ccccc2C(C)C)cc1 ZINC000003358534 210016351 /nfs/dbraw/zinc/01/63/51/210016351.db2.gz HSUZKOSFXXUWDV-UHFFFAOYSA-N 0 0 339.435 4.729 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CCc1cccc(CC)c1NC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000040526342 213335618 /nfs/dbraw/zinc/33/56/18/213335618.db2.gz PKLXLZUGHBKGQV-CQSZACIVSA-N 0 0 328.378 4.618 50 0 EJAARN CCCCOC(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 ZINC000001787737 209793853 /nfs/dbraw/zinc/79/38/53/209793853.db2.gz NTWCTYUGGXCJDA-UHFFFAOYSA-N 0 0 346.814 4.941 50 0 EJAARN O=C(NCCCSc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000018082969 201993210 /nfs/dbraw/zinc/99/32/10/201993210.db2.gz BTBARRUNYPKZOL-UHFFFAOYSA-N 0 0 329.509 4.501 50 0 EJAARN CCCCCCOC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000001777856 209792378 /nfs/dbraw/zinc/79/23/78/209792378.db2.gz VNSALSDFFCGBPM-UHFFFAOYSA-N 0 0 325.408 4.676 50 0 EJAARN CCCCOC(=O)Nc1sc(-c2ccccc2)cc1C(=O)OCC ZINC000001770699 209791446 /nfs/dbraw/zinc/79/14/46/209791446.db2.gz DROKXAPMXVXZCA-UHFFFAOYSA-N 0 0 347.436 4.940 50 0 EJAARN C[C@H](N[C@@H](C)c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 ZINC000069514812 215452729 /nfs/dbraw/zinc/45/27/29/215452729.db2.gz VSAZFLLOXDCXET-STQMWFEESA-N 0 0 327.815 4.802 50 0 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/nfs/dbraw/zinc/25/99/45/213259945.db2.gz YKFFBAVWUNFQTN-LLVKDONJSA-N 0 0 328.416 4.805 50 0 EJAARN CCOCCOc1ccc(NCc2ccc(O[C@H](C)CC)cc2)cc1 ZINC000019738436 202018164 /nfs/dbraw/zinc/01/81/64/202018164.db2.gz GNNFVVWQMFYUFR-QGZVFWFLSA-N 0 0 343.467 4.891 50 0 EJAARN Fc1cccc(Cl)c1CN(C(=S)NC1CCCCC1)C1CC1 ZINC000040023698 213251517 /nfs/dbraw/zinc/25/15/17/213251517.db2.gz HZJDAOKRJOPOEI-UHFFFAOYSA-N 0 0 340.895 4.651 50 0 EJAARN CC(C)[C@@H](NC(=O)Nc1ccc(F)c(F)c1F)c1cccs1 ZINC000040023997 213251543 /nfs/dbraw/zinc/25/15/43/213251543.db2.gz JAAMATCEJZNSHM-CQSZACIVSA-N 0 0 328.359 4.684 50 0 EJAARN CC(C)[C@H](NC(=O)Nc1ccc(F)c(F)c1F)c1cccs1 ZINC000040023996 213251568 /nfs/dbraw/zinc/25/15/68/213251568.db2.gz JAAMATCEJZNSHM-AWEZNQCLSA-N 0 0 328.359 4.684 50 0 EJAARN CCOc1ccc(Oc2nc(-c3ccncc3)nc3ccccc32)cc1 ZINC000040040256 213253939 /nfs/dbraw/zinc/25/39/39/213253939.db2.gz INUUZDORIJXKKC-UHFFFAOYSA-N 0 0 343.386 4.883 50 0 EJAARN c1ccc(CCNc2ccc(OCCOc3ccccc3)cc2)cc1 ZINC000019738242 202018380 /nfs/dbraw/zinc/01/83/80/202018380.db2.gz AFIMBALRGKFWRY-UHFFFAOYSA-N 0 0 333.431 4.799 50 0 EJAARN CCOc1ccc(Nc2ncnc3sc4c(c32)C[C@H](C)CC4)cc1 ZINC000001472988 209753158 /nfs/dbraw/zinc/75/31/58/209753158.db2.gz ZFXSUWRQXHQZJJ-GFCCVEGCSA-N 0 0 339.464 4.958 50 0 EJAARN O=C(N1CCCCCC1)C(Cl)(c1ccccc1)c1ccccc1 ZINC000001457144 209750893 /nfs/dbraw/zinc/75/08/93/209750893.db2.gz IRRSPRAMHDBOSI-UHFFFAOYSA-N 0 0 327.855 4.572 50 0 EJAARN Cc1noc(C)c1C(=O)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000039535612 213239508 /nfs/dbraw/zinc/23/95/08/213239508.db2.gz LBQUVXSEUDQSKX-FQEVSTJZSA-N 0 0 346.386 4.557 50 0 EJAARN CCC[C@H](C)NC(=O)Nc1ccc(Sc2nc(C)cs2)cc1 ZINC000039564090 213240892 /nfs/dbraw/zinc/24/08/92/213240892.db2.gz WRCWQGPDORCBDE-NSHDSACASA-N 0 0 335.498 4.913 50 0 EJAARN CC1=C(C)C[C@@](Cc2ccccc2)(S(=O)(=O)c2ccccc2)CC1 ZINC000039247184 213232496 /nfs/dbraw/zinc/23/24/96/213232496.db2.gz GPYUHTUELILMOS-NRFANRHFSA-N 0 0 340.488 4.962 50 0 EJAARN Cc1cc(C(F)(F)F)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1 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CJCJSVASBNAVDA-YXBWYFRISA-N 0 0 346.430 4.767 50 0 EJAARN Cc1ccc(NC(=O)c2cc(-c3cccs3)on2)c2cccnc12 ZINC000027144943 212547613 /nfs/dbraw/zinc/54/76/13/212547613.db2.gz BQXBKBVDZVRZMV-UHFFFAOYSA-N 0 0 335.388 4.512 50 0 EJAARN Cc1ccc(-c2ccsc2C(=O)Nc2ccc3c(c2)CCO3)cc1 ZINC000027127401 212547619 /nfs/dbraw/zinc/54/76/19/212547619.db2.gz WZYHJKCQSIKTHL-UHFFFAOYSA-N 0 0 335.428 4.911 50 0 EJAARN C[C@H](N[C@@H](C)c1ccccc1Cl)c1nnc(-c2ccccc2)o1 ZINC000026362655 212515143 /nfs/dbraw/zinc/51/51/43/212515143.db2.gz SJLYNPRQXHSQDD-STQMWFEESA-N 0 0 327.815 4.802 50 0 EJAARN COc1ccc2cc([C@H](C)C(=O)NCc3sccc3C)ccc2c1 ZINC000025717902 212495669 /nfs/dbraw/zinc/49/56/69/212495669.db2.gz KVQUNMGOEROGAO-AWEZNQCLSA-N 0 0 339.460 4.638 50 0 EJAARN CC(=O)Nc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1F ZINC000025511477 212485542 /nfs/dbraw/zinc/48/55/42/212485542.db2.gz XZYKSWGQHICHEZ-UHFFFAOYSA-N 0 0 348.377 4.703 50 0 EJAARN O=C(NCc1ccccc1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000025251369 212468432 /nfs/dbraw/zinc/46/84/32/212468432.db2.gz ZGUSTHFUWUPUIZ-QFIPXVFZSA-N 0 0 342.442 4.544 50 0 EJAARN Cc1ccc2oc(=O)cc(-c3sc4nc(C)cc(C)c4c3N)c2c1 ZINC000011731165 201363821 /nfs/dbraw/zinc/36/38/21/201363821.db2.gz MALLXAJKUBNNPN-UHFFFAOYSA-N 0 0 336.416 4.577 50 0 EJAARN C[C@@H](SC/C=C/c1ccccc1)C(=O)Nc1cc(F)ccc1F ZINC000015493866 201366976 /nfs/dbraw/zinc/36/69/76/201366976.db2.gz YOOUXYKOEUIYNV-OQHXTRMZSA-N 0 0 333.403 4.738 50 0 EJAARN CCCCOc1cc(OCCCC)c2c3c(c(=O)oc2c1)CCC3 ZINC000001797586 201358576 /nfs/dbraw/zinc/35/85/76/201358576.db2.gz YHRLQWBUPLUPBF-UHFFFAOYSA-N 0 0 330.424 4.640 50 0 biogenic EJAARN CCCCc1cc(=O)oc2cc(OCc3cccc(OC)c3)ccc12 ZINC000002126495 201358725 /nfs/dbraw/zinc/35/87/25/201358725.db2.gz DKXOTHZYYUKLHR-UHFFFAOYSA-N 0 0 338.403 4.723 50 0 biogenic EJAARN CC(=O)N(CC[C@@H](Cc1ccccc1)c1ccco1)Cc1ccco1 ZINC000002846104 201359546 /nfs/dbraw/zinc/35/95/46/201359546.db2.gz FEFIQTAHTILAMN-IBGZPJMESA-N 0 0 337.419 4.638 50 0 biogenic EJAARN CCN(C(=O)/C=C(\C)C1CC1)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000096190154 201374288 /nfs/dbraw/zinc/37/42/88/201374288.db2.gz RMWAVGQKBKQYRK-AXDNMFEOSA-N 0 0 338.426 4.515 50 0 EJAARN COc1ccc(/C=C(/Cl)c2ncc(-c3ccccc3)o2)cc1O ZINC000096759386 201377881 /nfs/dbraw/zinc/37/78/81/201377881.db2.gz ODJGOSHGSFWLOI-NTEUORMPSA-N 0 0 327.767 4.793 50 0 EJAARN COc1cc(/C=C(/Cl)c2nc3ccccc3o2)cc(Cl)c1O ZINC000096891538 201377911 /nfs/dbraw/zinc/37/79/11/201377911.db2.gz RODJDWKRQMWJCK-YRNVUSSQSA-N 0 0 336.174 4.932 50 0 EJAARN O=C(CCCSc1ccccc1)N1CCC[C@H]1c1ccsc1 ZINC000046912735 202574074 /nfs/dbraw/zinc/57/40/74/202574074.db2.gz WSMAEYGYGDZNCM-KRWDZBQOSA-N 0 0 331.506 4.984 50 0 EJAARN Cc1nc2ccc(NC(=O)c3cccc4c(C)c(C)[nH]c43)cc2s1 ZINC000024680681 212432261 /nfs/dbraw/zinc/43/22/61/212432261.db2.gz MLHHOVNZEDGWDF-UHFFFAOYSA-N 0 0 335.432 4.955 50 0 EJAARN Cc1ccc(-c2noc(-c3ccc(NC(=O)C(C)(C)C)cc3)n2)cc1 ZINC000046018729 202562118 /nfs/dbraw/zinc/56/21/18/202562118.db2.gz ZGDJMPFQGVQNJO-UHFFFAOYSA-N 0 0 335.407 4.697 50 0 EJAARN O=C(N[C@@H](c1cc2ccccc2o1)c1ccccc1)[C@H]1CC=CCC1 ZINC000024709014 212434530 /nfs/dbraw/zinc/43/45/30/212434530.db2.gz WNVKKJFOTZADNL-LAUBAEHRSA-N 0 0 331.415 4.995 50 0 EJAARN COc1ccc(NC(=O)Nc2cc(C)c(Cl)cc2OC)c(C)c1 ZINC000051355950 202639330 /nfs/dbraw/zinc/63/93/30/202639330.db2.gz FWEAPFFFQKTERV-UHFFFAOYSA-N 0 0 334.803 4.618 50 0 EJAARN Fc1ccc(Oc2nc(-c3ccncc3)nc3ccccc32)cc1F ZINC000024041313 212405368 /nfs/dbraw/zinc/40/53/68/212405368.db2.gz NTNHGMZJOHISJY-UHFFFAOYSA-N 0 0 335.313 4.762 50 0 EJAARN Cc1cccc(NC(=O)[C@H](C)SCCOc2ccc(Cl)cc2)c1 ZINC000023622999 212385563 /nfs/dbraw/zinc/38/55/63/212385563.db2.gz JUQDGWVZTMFWRQ-AWEZNQCLSA-N 0 0 349.883 4.788 50 0 EJAARN O=C(CSCc1ccc(F)cc1Cl)Nc1ccc(F)c(F)c1 ZINC000023413355 212376026 /nfs/dbraw/zinc/37/60/26/212376026.db2.gz VTGLWNFITHVBQX-UHFFFAOYSA-N 0 0 345.773 4.629 50 0 EJAARN O=C(CSCc1cccc(C(F)(F)F)c1)Nc1cccc(F)c1 ZINC000023411216 212375616 /nfs/dbraw/zinc/37/56/16/212375616.db2.gz BIOHHGNHFANAFH-UHFFFAOYSA-N 0 0 343.345 4.716 50 0 EJAARN Cc1ccccc1C(=O)N1CCc2ccccc2[C@@H]1c1ccccc1F ZINC000023308239 212367841 /nfs/dbraw/zinc/36/78/41/212367841.db2.gz DWGOSNGYHIPRFU-JOCHJYFZSA-N 0 0 345.417 4.922 50 0 EJAARN O=C(CSCc1ccc(Cl)s1)Nc1ccc(F)cc1F ZINC000023130863 212351811 /nfs/dbraw/zinc/35/18/11/212351811.db2.gz KNSCQZDVKVXSJJ-UHFFFAOYSA-N 0 0 333.812 4.552 50 0 EJAARN Cc1cccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c1C ZINC000023118570 212349898 /nfs/dbraw/zinc/34/98/98/212349898.db2.gz UITKMPHMXPCEJA-UHFFFAOYSA-N 0 0 348.450 4.759 50 0 EJAARN CCCc1cc(=O)oc2cc(OCc3ccccc3Cl)ccc12 ZINC000000044646 201427010 /nfs/dbraw/zinc/42/70/10/201427010.db2.gz FOOAZUIZBNXOFQ-UHFFFAOYSA-N 0 0 328.795 4.978 50 0 EJAARN Cc1occc1C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000022878571 212331459 /nfs/dbraw/zinc/33/14/59/212331459.db2.gz HEQMQGRLDKZSSI-NYMDZQDESA-N 0 0 343.426 4.615 50 0 EJAARN FC(F)(F)c1ccn(-c2ncnc3scc(-c4ccccc4)c32)n1 ZINC000000066442 201428628 /nfs/dbraw/zinc/42/86/28/201428628.db2.gz TYJNSMKYRARRAW-UHFFFAOYSA-N 0 0 346.337 4.563 50 0 EJAARN CCc1ccc(C(=O)Nc2c(-c3ccccc3)nc3ccccn32)cc1 ZINC000022587877 212307922 /nfs/dbraw/zinc/30/79/22/212307922.db2.gz PPFQQPUHNSRETQ-UHFFFAOYSA-N 0 0 341.414 4.816 50 0 EJAARN Brc1cccc(-c2csc(NCc3ccco3)n2)c1 ZINC000022459755 212298179 /nfs/dbraw/zinc/29/81/79/212298179.db2.gz TYNNMDMJRWPTHB-UHFFFAOYSA-N 0 0 335.226 4.778 50 0 EJAARN Cc1noc(C)c1CSc1ncnc2sc3c(c21)CC[C@H](C)C3 ZINC000000102333 201434457 /nfs/dbraw/zinc/43/44/57/201434457.db2.gz PYLAXHMXXXYXEA-VIFPVBQESA-N 0 0 345.493 4.713 50 0 EJAARN COc1ccc(-c2nc3ccccc3n2CCc2ccccc2)cc1 ZINC000000104784 201435635 /nfs/dbraw/zinc/43/56/35/201435635.db2.gz AKABFRHXPUPGSS-UHFFFAOYSA-N 0 0 328.415 4.955 50 0 EJAARN Clc1ccc(-c2nc3ccccc3c(NCc3cccnc3)n2)cc1 ZINC000000112197 201435759 /nfs/dbraw/zinc/43/57/59/201435759.db2.gz JVKUZQYGQLXVBT-UHFFFAOYSA-N 0 0 346.821 4.957 50 0 EJAARN CCCc1c2c(nn1-c1ccccc1F)C[C@@H](c1ccccc1)CC2=O ZINC000000111205 201436086 /nfs/dbraw/zinc/43/60/86/201436086.db2.gz QGFBOLHMTMRFTJ-MRXNPFEDSA-N 0 0 348.421 4.877 50 0 EJAARN O=C(Nc1csc(-c2cccs2)n1)Nc1ccc(F)cc1F ZINC000000120788 201437015 /nfs/dbraw/zinc/43/70/15/201437015.db2.gz IVPFHKYKVAXYEW-UHFFFAOYSA-N 0 0 337.376 4.794 50 0 EJAARN COc1ccc(C)cc1[C@H](C)NC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000022396305 212294855 /nfs/dbraw/zinc/29/48/55/212294855.db2.gz MJQNYRDLTXLKLQ-LSDHHAIUSA-N 0 0 344.430 4.606 50 0 EJAARN COc1ccc(C)cc1[C@@H](C)NC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000022396293 212294534 /nfs/dbraw/zinc/29/45/34/212294534.db2.gz MJQNYRDLTXLKLQ-CABCVRRESA-N 0 0 344.430 4.606 50 0 EJAARN CCOC(=O)c1c(NC(=O)CC2CCCC2)sc2c1CC[C@@H](C)C2 ZINC000022325023 212291381 /nfs/dbraw/zinc/29/13/81/212291381.db2.gz FFBAQDCZSMUCGV-GFCCVEGCSA-N 0 0 349.496 4.568 50 0 EJAARN C/C=C/C(=O)Nc1sc([C@H](C)CC(C)(C)C)cc1C(=O)OCC ZINC000022321482 212289893 /nfs/dbraw/zinc/28/98/93/212289893.db2.gz QGQQHFMDQHPUQZ-YPUOHESYSA-N 0 0 337.485 4.979 50 0 EJAARN Cc1cc(C(=O)CCC(=O)N2CCC[C@@H]2c2ccccc2)c(C)s1 ZINC000022328597 212290923 /nfs/dbraw/zinc/29/09/23/212290923.db2.gz ZWDQFBFDCHONOO-GOSISDBHSA-N 0 0 341.476 4.692 50 0 EJAARN CCC[C@H]1CCc2c(sc(NC(=O)C=C(C)C)c2C(=O)OCC)C1 ZINC000022325195 212290929 /nfs/dbraw/zinc/29/09/29/212290929.db2.gz KRAXWXYRWNMGBX-ZDUSSCGKSA-N 0 0 349.496 4.735 50 0 EJAARN O=C(c1cc(F)ccc1Br)N1CCC[C@@H]1c1ccccc1 ZINC000022328706 212290753 /nfs/dbraw/zinc/29/07/53/212290753.db2.gz NYHCHQWVTRPGSV-MRXNPFEDSA-N 0 0 348.215 4.566 50 0 EJAARN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccc(F)cc1 ZINC000022245785 212285055 /nfs/dbraw/zinc/28/50/55/212285055.db2.gz WEZVEOGNXKVHJS-UHFFFAOYSA-N 0 0 345.374 4.726 50 0 EJAARN CCCc1ccc(OCC(=O)Nc2ccc(N(CC)CC)cc2)cc1 ZINC000000146486 201441025 /nfs/dbraw/zinc/44/10/25/201441025.db2.gz AODQDRYTTGYNIY-UHFFFAOYSA-N 0 0 340.467 4.503 50 0 EJAARN CSc1nn(-c2ccccc2)cc1C(=O)Sc1cccs1 ZINC000000170671 201443510 /nfs/dbraw/zinc/44/35/10/201443510.db2.gz WTWMQVTVZLRPDH-UHFFFAOYSA-N 0 0 332.475 4.588 50 0 EJAARN O=C1CS[C@H](c2cccc(Cl)c2Cl)N1c1cccc(F)c1 ZINC000000180005 201444586 /nfs/dbraw/zinc/44/45/86/201444586.db2.gz ICJMTPIAXWQKQB-OAHLLOKOSA-N 0 0 342.222 4.911 50 0 EJAARN Cc1ccccc1NC(=O)N1CCS[C@@H](c2ccccc2)CC1 ZINC000211144990 241080621 /nfs/dbraw/zinc/08/06/21/241080621.db2.gz XLMMWGROFMLHNC-GOSISDBHSA-N 0 0 326.465 4.707 50 0 EJAARN NN1C(=S)N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 ZINC000200200325 241040136 /nfs/dbraw/zinc/04/01/36/241040136.db2.gz DEBGZKKWACVPLZ-CBHFYSFPSA-N 0 0 347.487 4.527 50 0 EJAARN CCSc1ccccc1C(=O)N1CCS[C@H](c2ccco2)CC1 ZINC000207009065 241062138 /nfs/dbraw/zinc/06/21/38/241062138.db2.gz SRKQTLKQHXCJDY-KRWDZBQOSA-N 0 0 347.505 4.712 50 0 EJAARN CSc1ccccc1C(=O)N1CCS[C@H](c2ccccc2)CC1 ZINC000208040479 241064769 /nfs/dbraw/zinc/06/47/69/241064769.db2.gz GICIYPSUIZHGDJ-KRWDZBQOSA-N 0 0 343.517 4.729 50 0 EJAARN CCCC[C@H](c1cccnc1)N(C)C(=O)c1ccc2nc(C)oc2c1 ZINC000215790000 241147292 /nfs/dbraw/zinc/14/72/92/241147292.db2.gz CYAKIVHTCXVNGZ-GOSISDBHSA-N 0 0 337.423 4.535 50 0 EJAARN CC(C)N(C(=S)Nc1ccccc1Cl)[C@H](C)c1ccccn1 ZINC000000262022 201455382 /nfs/dbraw/zinc/45/53/82/201455382.db2.gz ULLGVOWOWYYCRA-CYBMUJFWSA-N 0 0 333.888 4.903 50 0 EJAARN Cc1cccc(Cl)c1NC(=O)COc1cccc2ccccc21 ZINC000000364038 201465118 /nfs/dbraw/zinc/46/51/18/201465118.db2.gz MGPMTPKWKVPOOD-UHFFFAOYSA-N 0 0 325.795 4.819 50 0 EJAARN COc1cccc2cc(-c3nc(-c4ccccc4)cs3)c(=O)oc21 ZINC000000424857 201470428 /nfs/dbraw/zinc/47/04/28/201470428.db2.gz MDADCSUUBYFUNO-UHFFFAOYSA-N 0 0 335.384 4.592 50 0 EJAARN COc1ccc(-n2cc(-c3ccccc3)nc2SC)cc1Cl ZINC000000424461 201470957 /nfs/dbraw/zinc/47/09/57/201470957.db2.gz OVAQGTOJGQCBSI-UHFFFAOYSA-N 0 0 330.840 4.923 50 0 EJAARN CCc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 ZINC000000442478 201473609 /nfs/dbraw/zinc/47/36/09/201473609.db2.gz ATYCCOLSGSBFIZ-NSHDSACASA-N 0 0 338.234 4.962 50 0 EJAARN Cc1ccc(C(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000000439710 201473998 /nfs/dbraw/zinc/47/39/98/201473998.db2.gz IKHVSGMIKQDULJ-JOCHJYFZSA-N 0 0 340.426 4.987 50 0 EJAARN CCOc1ccccc1NC(=O)c1cc(Cl)c(OC)c(Cl)c1 ZINC000000303122 201458322 /nfs/dbraw/zinc/45/83/22/201458322.db2.gz PZAVABVJCBRXHW-UHFFFAOYSA-N 0 0 340.206 4.653 50 0 EJAARN C[C@@H]1CCCN(C(=S)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000000534159 201484906 /nfs/dbraw/zinc/48/49/06/201484906.db2.gz NXNOKMVVRQZAJY-OAHLLOKOSA-N 0 0 326.465 4.908 50 0 EJAARN S=C1N2CCCN2[C@H](c2cccc3ccccc32)N1c1ccccc1 ZINC000000549996 201485647 /nfs/dbraw/zinc/48/56/47/201485647.db2.gz SYJUGUGPKFQWAV-FQEVSTJZSA-N 0 0 345.471 4.566 50 0 EJAARN Cc1[nH]c2ccccc2c1-c1csc(NC(=O)Cc2ccccc2)n1 ZINC000000563277 201487817 /nfs/dbraw/zinc/48/78/17/201487817.db2.gz GZQOSUQDQSJNKA-UHFFFAOYSA-N 0 0 347.443 4.781 50 0 EJAARN CCc1ccc(Nc2nnc(-c3cc4ccccc4oc3=O)s2)cc1 ZINC000000859427 201493784 /nfs/dbraw/zinc/49/37/84/201493784.db2.gz PYOXEXWJBAZQCP-UHFFFAOYSA-N 0 0 349.415 4.618 50 0 EJAARN O=C(COc1ccc(Cl)cc1)Nc1cccc(Cl)c1Cl ZINC000001096657 201499046 /nfs/dbraw/zinc/49/90/46/201499046.db2.gz MAKYWCRTGQUCMJ-UHFFFAOYSA-N 0 0 330.598 4.664 50 0 EJAARN Cc1cc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)ccc1Cl ZINC000000450169 201475536 /nfs/dbraw/zinc/47/55/36/201475536.db2.gz PJBGAPCVUNMHRB-UHFFFAOYSA-N 0 0 344.625 4.973 50 0 EJAARN CCOc1ccc(C(=O)CCC(=O)Nc2cccc3ccccc32)cc1 ZINC000000450832 201475618 /nfs/dbraw/zinc/47/56/18/201475618.db2.gz IXNVSTISOVPYNI-UHFFFAOYSA-N 0 0 347.414 4.840 50 0 EJAARN Fc1ccc(N2C(=S)N=NC2c2ccccc2Cl)cc1Cl ZINC000000477227 201479452 /nfs/dbraw/zinc/47/94/52/201479452.db2.gz FGMDXISDUBEHMJ-UHFFFAOYSA-N 0 0 340.210 4.669 50 0 EJAARN O=C(c1ccc(Cl)s1)N1CCS[C@H](c2cccs2)CC1 ZINC000219503896 241394204 /nfs/dbraw/zinc/39/42/04/241394204.db2.gz KQKCYAPLKLUAFP-NSHDSACASA-N 0 0 343.926 4.783 50 0 EJAARN Cc1ccc(CNC(=O)N2Cc3ccccc3-n3cccc3[C@H]2C)cc1 ZINC000021890677 212259689 /nfs/dbraw/zinc/25/96/89/212259689.db2.gz BXIZJNZWVFDMTJ-QGZVFWFLSA-N 0 0 345.446 4.572 50 0 EJAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2C)cc1 ZINC000021890427 212259730 /nfs/dbraw/zinc/25/97/30/212259730.db2.gz YJUQACAITMAWCK-INIZCTEOSA-N 0 0 331.419 4.894 50 0 EJAARN COc1ccc2cc([C@H](C)C(=O)N[C@H]3CCCC[C@@H]3C)ccc2c1 ZINC000021875482 212259197 /nfs/dbraw/zinc/25/91/97/212259197.db2.gz KZVJJENLDZNITF-AVYPCKFXSA-N 0 0 325.452 4.647 50 0 EJAARN COc1ccc(-c2c(C)[nH]nc2NC(=O)C[C@H](C)c2ccccc2)cc1 ZINC000075559099 216634932 /nfs/dbraw/zinc/63/49/32/216634932.db2.gz FUIBDRZIWQJMCU-AWEZNQCLSA-N 0 0 349.434 4.526 50 0 EJAARN Cc1ccc(-c2c(C(F)(F)F)nn3c2nc(C)cc3NC(C)C)cc1 ZINC000021799477 212251977 /nfs/dbraw/zinc/25/19/77/212251977.db2.gz RPUIDEFVBFIQAA-UHFFFAOYSA-N 0 0 348.372 4.852 50 0 EJAARN O=C(c1cc(C2CCCCC2)no1)N1CCC[C@H]1c1cccc(F)c1 ZINC000021791450 212249723 /nfs/dbraw/zinc/24/97/23/212249723.db2.gz IPKGDOOHRFRKMV-SFHVURJKSA-N 0 0 342.414 4.839 50 0 EJAARN CCCc1cc([C@@H]2CCCN2Cc2ccccc2OC(C)C)no1 ZINC000021720520 212245216 /nfs/dbraw/zinc/24/52/16/212245216.db2.gz NGWHRPDXVDKFMQ-IBGZPJMESA-N 0 0 328.456 4.751 50 0 EJAARN CC(C)c1cc([C@@H]2CCCN2C(=O)c2c(F)cccc2Cl)no1 ZINC000021719117 212245259 /nfs/dbraw/zinc/24/52/59/212245259.db2.gz RIRMBVDRLBESIG-AWEZNQCLSA-N 0 0 336.794 4.568 50 0 EJAARN Cc1cnc(C2CCN(C(=O)c3cc4ccccc4s3)CC2)s1 ZINC000225464013 241878002 /nfs/dbraw/zinc/87/80/02/241878002.db2.gz JXHROPUFXBHCBI-UHFFFAOYSA-N 0 0 342.489 4.686 50 0 EJAARN CCc1onc(C)c1[C@@H]1CCCN1Cc1ccccc1Br ZINC000021720818 212244860 /nfs/dbraw/zinc/24/48/60/212244860.db2.gz OKWPJJALOCRZHF-HNNXBMFYSA-N 0 0 349.272 4.645 50 0 EJAARN COc1ccc(C2=NN(C(C)=O)[C@H](c3ccccc3)C2)c2ccccc12 ZINC000226760858 242114556 /nfs/dbraw/zinc/11/45/56/242114556.db2.gz DNPWFQFJGUHGAF-NRFANRHFSA-N 0 0 344.414 4.546 50 0 EJAARN Cc1ccc(/C=C/C(=O)NCCC(c2ccccc2)c2ccccc2)o1 ZINC000001456894 201510648 /nfs/dbraw/zinc/51/06/48/201510648.db2.gz LBPWEULWODIZHN-CCEZHUSRSA-N 0 0 345.442 4.940 50 0 EJAARN CCn1c(C)cc(C(=O)CSC2=Nc3ccccc3CS2)c1C ZINC000021627598 212234794 /nfs/dbraw/zinc/23/47/94/212234794.db2.gz GAPIZUCBXIWOHL-UHFFFAOYSA-N 0 0 344.505 4.975 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SQVMBOFBYRIWHT-UHFFFAOYSA-N 0 0 331.529 4.887 50 0 EJAARN Cc1ccc(N2C(=O)c3ccccc3[C@H]2Nc2cc(C)ccc2C)nc1 ZINC000004917003 210322707 /nfs/dbraw/zinc/32/27/07/210322707.db2.gz WRETZWPKIAKCQB-NRFANRHFSA-N 0 0 343.430 4.778 50 0 EJAARN Cc1cc(C)c(N[C@@H]2c3ccccc3C(=O)N2c2cccnc2)c(C)c1 ZINC000004918142 210322098 /nfs/dbraw/zinc/32/20/98/210322098.db2.gz FNWIUVUFJGEHMY-NRFANRHFSA-N 0 0 343.430 4.778 50 0 EJAARN Cc1cc(Cl)c(OCCN2CCC[C@H](C)C2)c(Br)c1 ZINC000004913695 210321370 /nfs/dbraw/zinc/32/13/70/210321370.db2.gz QENZYTWVRBKUJJ-NSHDSACASA-N 0 0 346.696 4.522 50 0 EJAARN CCCCNC(=O)c1cc(Nc2ccccc2OC)nc2ccccc21 ZINC000004911849 210320525 /nfs/dbraw/zinc/32/05/25/210320525.db2.gz WHJSIZSPDITRIK-UHFFFAOYSA-N 0 0 349.434 4.517 50 0 EJAARN COCc1nc2ccccc2n1CCCOc1cccc2ccccc21 ZINC000004908452 210319557 /nfs/dbraw/zinc/31/95/57/210319557.db2.gz FFFBQBBELYEYNT-UHFFFAOYSA-N 0 0 346.430 4.805 50 0 EJAARN Cc1cc(C)n2c(nc(-c3ccc(O)cc3)c2Nc2ccccc2C)n1 ZINC000004903252 210317817 /nfs/dbraw/zinc/31/78/17/210317817.db2.gz BUFXKZPBPYQVDQ-UHFFFAOYSA-N 0 0 344.418 4.771 50 0 EJAARN Cc1ccnc(N2C(=O)c3ccccc3[C@H]2Nc2ccc(Cl)cc2)c1 ZINC000004900382 210315440 /nfs/dbraw/zinc/31/54/40/210315440.db2.gz WRPYYVLLMZNEOA-IBGZPJMESA-N 0 0 349.821 4.815 50 0 EJAARN CC(C)COc1ccc(C(=O)Nc2ccccc2OC(F)F)cc1 ZINC000004868859 210308180 /nfs/dbraw/zinc/30/81/80/210308180.db2.gz OEVFNIBFTYEZMN-UHFFFAOYSA-N 0 0 335.350 4.575 50 0 EJAARN CC[C@H](C)C(=O)Nc1ccc(-c2nnc(-c3ccccc3C)o2)cc1 ZINC000004869129 210308019 /nfs/dbraw/zinc/30/80/19/210308019.db2.gz OSMDUNUJODNXFZ-ZDUSSCGKSA-N 0 0 335.407 4.697 50 0 EJAARN CSc1ccc(Cl)c(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)c1 ZINC000004865554 210305709 /nfs/dbraw/zinc/30/57/09/210305709.db2.gz UNDSKIDGOWLJEX-UHFFFAOYSA-N 0 0 349.839 4.822 50 0 EJAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC1CCCCCC1 ZINC000004817025 210285937 /nfs/dbraw/zinc/28/59/37/210285937.db2.gz YPHZBXKNEWDKDR-LLVKDONJSA-N 0 0 330.255 4.600 50 0 EJAARN CC(=O)Oc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000004842958 210296238 /nfs/dbraw/zinc/29/62/38/210296238.db2.gz FZIGOHNUFJMAMP-UHFFFAOYSA-N 0 0 346.386 4.608 50 0 EJAARN CCc1ccc(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)cc1 ZINC000004841212 210295610 /nfs/dbraw/zinc/29/56/10/210295610.db2.gz PEVXMSJNFVQMDM-UHFFFAOYSA-N 0 0 343.386 4.705 50 0 EJAARN Cc1cc2oc(=O)cc(CSc3nc4ccccc4[nH]3)c2cc1C ZINC000004830108 210291316 /nfs/dbraw/zinc/29/13/16/210291316.db2.gz BCPWABSPZIISSU-UHFFFAOYSA-N 0 0 336.416 4.578 50 0 EJAARN CC(=O)c1cccc(NC(=O)Cc2coc3ccc4ccccc4c23)c1 ZINC000004821216 210287950 /nfs/dbraw/zinc/28/79/50/210287950.db2.gz DWQOCWXELXZXBC-UHFFFAOYSA-N 0 0 343.382 4.970 50 0 EJAARN O=C(Nc1ccccn1)c1cccc(OCc2ccccc2Cl)c1 ZINC000004821179 210287506 /nfs/dbraw/zinc/28/75/06/210287506.db2.gz XCJLOFJXMMDEMG-UHFFFAOYSA-N 0 0 338.794 4.566 50 0 EJAARN Cc1cc2occ(CC(=O)Nc3nc4ccccc4s3)c2c(C)c1 ZINC000004820411 210287216 /nfs/dbraw/zinc/28/72/16/210287216.db2.gz RIFOXYWBHUKJRH-UHFFFAOYSA-N 0 0 336.416 4.841 50 0 EJAARN COc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c(OC)c1 ZINC000004822852 210287226 /nfs/dbraw/zinc/28/72/26/210287226.db2.gz ZWXACLLBPYIXPD-UHFFFAOYSA-N 0 0 349.386 4.748 50 0 EJAARN O=C1CCCCc2ccc(cc2)Cc2ccc(cc2)CCCC[C@H]1O ZINC000004787957 210278188 /nfs/dbraw/zinc/27/81/88/210278188.db2.gz XQCHFPADVQGJCQ-JOCHJYFZSA-N 0 0 336.475 4.647 50 0 EJAARN O=C(NCCSC12CC3CC(CC(C3)C1)C2)Nc1ccccc1 ZINC000004783813 210277533 /nfs/dbraw/zinc/27/75/33/210277533.db2.gz FLFSGZYVDHHZNH-UHFFFAOYSA-N 0 0 330.497 4.510 50 0 EJAARN Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000004772177 210275711 /nfs/dbraw/zinc/27/57/11/210275711.db2.gz IBEWSOWIGYJQQC-UHFFFAOYSA-N 0 0 347.201 4.605 50 0 EJAARN CC(=O)NC[C@]1(C)CCC[C@@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12 ZINC000004776362 210275027 /nfs/dbraw/zinc/27/50/27/210275027.db2.gz FODXIORRSBDQQV-FKBYEOEOSA-N 0 0 327.512 4.956 50 0 EJAARN O=C(c1sc2cc(Br)ccc2c1Cl)N1CCCC1 ZINC000004750080 210269922 /nfs/dbraw/zinc/26/99/22/210269922.db2.gz UUPKCZDZHJJVNR-UHFFFAOYSA-N 0 0 344.661 4.553 50 0 EJAARN CN(C)c1cccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c1 ZINC000004759537 210272856 /nfs/dbraw/zinc/27/28/56/210272856.db2.gz SXJVNQSLQOPVNI-UHFFFAOYSA-N 0 0 344.458 4.595 50 0 EJAARN C[C@@H](N[C@H](C)c1cnccn1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000119183847 221261857 /nfs/dbraw/zinc/26/18/57/221261857.db2.gz IHOZGPTZRJMATD-HUUCEWRRSA-N 0 0 337.398 4.820 50 0 EJAARN Clc1c2ccccc2sc1-c1nnc([C@H]2CC23CCOCC3)o1 ZINC000521393856 257948588 /nfs/dbraw/zinc/94/85/88/257948588.db2.gz FVCHKLCRHZYURW-LLVKDONJSA-N 0 0 346.839 4.889 50 0 EJAARN C[C@@H](c1ccccc1)N(C(=O)[C@H]1CCC(=O)C[C@H]1C)C1CCCC1 ZINC000328595358 258043389 /nfs/dbraw/zinc/04/33/89/258043389.db2.gz SEDNSHWZWNUFOC-GUXCAODWSA-N 0 0 327.468 4.524 50 0 EJAARN C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1C[C@@H]2CCC[C@@H]21 ZINC000241277682 258000794 /nfs/dbraw/zinc/00/07/94/258000794.db2.gz LIFQUFSHGXTAMR-BFVZDQMLSA-N 0 0 338.238 4.589 50 0 EJAARN CCc1ccc2oc(C(=O)Nc3ccc4oc(=O)ccc4c3)c(C)c2c1 ZINC000334162053 258016055 /nfs/dbraw/zinc/01/60/55/258016055.db2.gz IVJJFHOKAARBFO-UHFFFAOYSA-N 0 0 347.370 4.662 50 0 EJAARN COC(=O)c1sc(-c2ccc(Oc3ccc(C)cc3)cc2)cc1N ZINC000328579178 258017618 /nfs/dbraw/zinc/01/76/18/258017618.db2.gz YDJLPEVAUPXWMO-UHFFFAOYSA-N 0 0 339.416 4.885 50 0 EJAARN CC[C@H](NC(=O)CCCc1ccc(Cl)cc1)c1ccc(C)cn1 ZINC000299778821 258088147 /nfs/dbraw/zinc/08/81/47/258088147.db2.gz HSHQGSPPOCOHOK-KRWDZBQOSA-N 0 0 330.859 4.634 50 0 EJAARN Cc1ccc2nc(-c3ccc(F)cc3)c(CNCc3ccon3)cc2c1 ZINC000299798763 258102303 /nfs/dbraw/zinc/10/23/03/258102303.db2.gz UCHDIFXTXQZRDK-UHFFFAOYSA-N 0 0 347.393 4.627 50 0 EJAARN CC(C)C[C@H](NC(=O)c1ccccc1Cl)c1nc2ccccc2[nH]1 ZINC000001385907 258049104 /nfs/dbraw/zinc/04/91/04/258049104.db2.gz GBGWTUUNQUIJRG-KRWDZBQOSA-N 0 0 341.842 4.734 50 0 EJAARN O=C(/C=C/c1cccc(Br)c1)Nc1ccc(Cl)cc1 ZINC000002534674 258049809 /nfs/dbraw/zinc/04/98/09/258049809.db2.gz UJHOYCOPXBQRMY-RUDMXATFSA-N 0 0 336.616 4.754 50 0 EJAARN O=C(Nc1ccccc1C1=NCCc2ccccc21)C1CCCCC1 ZINC000002997427 258050334 /nfs/dbraw/zinc/05/03/34/258050334.db2.gz XISSAOQCCBMZME-UHFFFAOYSA-N 0 0 332.447 4.599 50 0 EJAARN C[C@H](Sc1ncc(-c2ccccc2)n1C)C(=O)c1ccc(F)cc1 ZINC000007130374 258052584 /nfs/dbraw/zinc/05/25/84/258052584.db2.gz SGWFNSMYGXRECN-ZDUSSCGKSA-N 0 0 340.423 4.590 50 0 EJAARN CC(C)Cc1ccc([C@@H](C)c2nc3c4ccccc4ncn3n2)cc1 ZINC000006939608 258052755 /nfs/dbraw/zinc/05/27/55/258052755.db2.gz QJCQBVUQVAPETK-OAHLLOKOSA-N 0 0 330.435 4.628 50 0 EJAARN CCc1ccc(C(=O)NCc2ccc(-c3csc(C)n3)s2)cc1 ZINC000012877855 258055547 /nfs/dbraw/zinc/05/55/47/258055547.db2.gz OMYHSBDZCBUVEM-UHFFFAOYSA-N 0 0 342.489 4.672 50 0 EJAARN COc1ccc(Nc2cc(C)nc3c(C)c(-c4ccccc4)nn32)cc1 ZINC000040216603 258059644 /nfs/dbraw/zinc/05/96/44/258059644.db2.gz FUZZPBDUAXPWJI-UHFFFAOYSA-N 0 0 344.418 4.765 50 0 EJAARN Cc1c(COC(C)C)cccc1NCc1nnc(-c2ccccc2)o1 ZINC000095414884 258066906 /nfs/dbraw/zinc/06/69/06/258066906.db2.gz BRQHEKKDDLBMGW-UHFFFAOYSA-N 0 0 337.423 4.582 50 0 EJAARN CC(C)c1nc2sc3c(c2c(N2CCCCC2)n1)CC[C@H](C)C3 ZINC000035892793 132390932 /nfs/dbraw/zinc/39/09/32/132390932.db2.gz OIVPJBUENNVRDU-ZDUSSCGKSA-N 0 0 329.513 4.930 50 0 EJAARN Cc1ccc(/C=C2\c3ccccc3C(=O)N(c3ccc(C)cc3)C2=O)o1 ZINC000036800762 132393084 /nfs/dbraw/zinc/39/30/84/132393084.db2.gz AUTVUWKFQNTLJE-DEDYPNTBSA-N 0 0 343.382 4.624 50 0 EJAARN O=C(Sc1ncccn1)N1c2ccccc2Sc2ccccc21 ZINC000000316957 135648756 /nfs/dbraw/zinc/64/87/56/135648756.db2.gz WUJFZIGOMVWCNP-UHFFFAOYSA-N 0 0 337.429 4.992 50 0 EJAARN CCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1 ZINC000000432530 135650432 /nfs/dbraw/zinc/65/04/32/135650432.db2.gz JXTUINJXVMOTNC-OAQYLSRUSA-N 0 0 344.414 4.856 50 0 EJAARN O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc(F)cc1 ZINC000000858851 135653607 /nfs/dbraw/zinc/65/36/07/135653607.db2.gz MGNOVYMOTCJSOQ-UHFFFAOYSA-N 0 0 332.806 4.722 50 0 EJAARN CCCCOc1ccc(N2C(=O)c3cccc4cccc(c43)C2=O)cc1 ZINC000003068026 135659000 /nfs/dbraw/zinc/65/90/00/135659000.db2.gz GCXKNAGBKMUKEL-UHFFFAOYSA-N 0 0 345.398 4.819 50 0 EJAARN Cc1ccc(NC(=O)N2C[C@H](C)Oc3ccc(Cl)cc32)cc1F ZINC000006842917 135677702 /nfs/dbraw/zinc/67/77/02/135677702.db2.gz MFTPDXFITDPLLY-NSHDSACASA-N 0 0 334.778 4.607 50 0 EJAARN Cc1ccc(NC(=O)N2C[C@@H](C)Oc3ccc(Cl)cc32)c(C)c1 ZINC000006842911 135677775 /nfs/dbraw/zinc/67/77/75/135677775.db2.gz KZEITBRYLLLLML-CYBMUJFWSA-N 0 0 330.815 4.776 50 0 EJAARN CCc1nc([C@H](C)Nc2ccc3oc(=O)[nH]c3c2)oc1-c1ccccc1 ZINC000124841545 222485617 /nfs/dbraw/zinc/48/56/17/222485617.db2.gz KFWFDEKCGRIVNR-LBPRGKRZSA-N 0 0 349.390 4.512 50 0 EJAARN CCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1Cl ZINC000000309799 262517316 /nfs/dbraw/zinc/51/73/16/262517316.db2.gz PLUDLPGLMZPHBZ-UHFFFAOYSA-N 0 0 328.170 4.784 50 0 EJAARN CN(Cc1ccccc1Cl)C(=O)Nc1cccc(OC(F)F)c1 ZINC000040120542 262526277 /nfs/dbraw/zinc/52/62/77/262526277.db2.gz PFIYKHUAUAQPJR-UHFFFAOYSA-N 0 0 340.757 4.605 50 0 EJAARN Cc1cc(Cl)ncc1NC(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000135905739 533802608 /nfs/dbraw/zinc/80/26/08/533802608.db2.gz BXNZEOFEUOAXSP-UHFFFAOYSA-N 0 0 348.189 4.604 50 0 EJAARN CCc1cc2c(ncnc2N(C)c2ccc(Br)cc2)s1 ZINC000033078205 517844607 /nfs/dbraw/zinc/84/46/07/517844607.db2.gz BMAYLFSMFZPQQN-UHFFFAOYSA-N 0 0 348.269 4.784 50 0 EJAARN O=C(Nc1ccsc1Cl)N1CCCCC[C@H]1c1ccncc1 ZINC000189331568 534443077 /nfs/dbraw/zinc/44/30/77/534443077.db2.gz SEYJNLSPCDGIMI-AWEZNQCLSA-N 0 0 335.860 4.946 50 0 EJAARN CCc1oc2ccccc2c1/C=C/C(=O)N(Cc1ccco1)C1CC1 ZINC000029012056 523006523 /nfs/dbraw/zinc/00/65/23/523006523.db2.gz XACWGNHIOOJVFB-VAWYXSNFSA-N 0 0 335.403 4.793 50 0 EJAARN CC[C@@H](Oc1ccccc1)C(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000004820423 523055025 /nfs/dbraw/zinc/05/50/25/523055025.db2.gz WHOCDNAWWJSQLK-NHCUHLMSSA-N 0 0 337.463 4.892 50 0 EJAARN O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccccc1F ZINC000000038193 527224623 /nfs/dbraw/zinc/22/46/23/527224623.db2.gz TWKANZPCIQXCJQ-UHFFFAOYSA-N 0 0 332.806 4.722 50 0 EJAARN CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H](c2nccs2)c2ccccc2)C1(C)C ZINC000225410310 535372007 /nfs/dbraw/zinc/37/20/07/535372007.db2.gz OCCKDBGGTURBEV-IXDOHACOSA-N 0 0 340.492 4.587 50 0 EJAARN COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2F)cc1 ZINC000000501040 536893723 /nfs/dbraw/zinc/89/37/23/536893723.db2.gz ZYCPFAQBMLDKPW-HXUWFJFHSA-N 0 0 348.377 4.605 50 0 EJAARN C[C@@H](CCC(C)(C)C(=O)OC[C@H]1CO1)c1c(Cl)cccc1Cl ZINC000043681898 563925862 /nfs/dbraw/zinc/92/58/62/563925862.db2.gz VALBCASDXQVOLS-NWDGAFQWSA-N 0 0 345.266 4.845 50 0 EJAARN O=C(CCSc1ccc(Cl)cc1)Nc1ccc(F)cc1F ZINC000000472749 564006239 /nfs/dbraw/zinc/00/62/39/564006239.db2.gz FIDUJOGRAORYTC-UHFFFAOYSA-N 0 0 327.783 4.739 50 0 EJAARN CCCCOc1ccc(C(=O)Nc2ccccc2Br)cc1 ZINC000002910853 564013494 /nfs/dbraw/zinc/01/34/94/564013494.db2.gz HGGVKBCLOQKVFT-UHFFFAOYSA-N 0 0 348.240 4.880 50 0 EJAARN CC(C)c1ccc(S[C@H]2CCS(=O)(=O)c3sccc32)cc1 ZINC000001398518 564064811 /nfs/dbraw/zinc/06/48/11/564064811.db2.gz GFEPPRAVCAUANW-HNNXBMFYSA-N 0 0 338.519 4.882 50 0 EJAARN Cc1cc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)no1 ZINC000013744281 564111977 /nfs/dbraw/zinc/11/19/77/564111977.db2.gz QRGRDJVQJRPFBR-UHFFFAOYSA-N 0 0 327.192 4.757 50 0 EJAARN Oc1ccc2cc(Br)c(OCc3ccccc3)cc2c1 ZINC000146727449 564129550 /nfs/dbraw/zinc/12/95/50/564129550.db2.gz YHRCPQNCRQLBGB-UHFFFAOYSA-N 0 0 329.193 4.887 50 0 EJAARN O=C(NCCc1cccs1)c1c(Cl)ccc(Cl)c1Cl ZINC000079055818 564137727 /nfs/dbraw/zinc/13/77/27/564137727.db2.gz RNYNUTRXVGIQTL-UHFFFAOYSA-N 0 0 334.655 4.681 50 0 EJAARN Clc1ccccc1Cc1noc(-c2ccc(Br)cc2)n1 ZINC000000443005 563315059 /nfs/dbraw/zinc/31/50/59/563315059.db2.gz YVNYTPXVTBNNEX-UHFFFAOYSA-N 0 0 349.615 4.743 50 0 EJAARN C[C@@H](Sc1ccccc1)C(=O)NCc1ccc(Cl)cc1Cl ZINC000000452787 563321372 /nfs/dbraw/zinc/32/13/72/563321372.db2.gz OWBWUKKMXQXIMA-LLVKDONJSA-N 0 0 340.275 4.790 50 0 EJAARN COc1c(Cl)cccc1NC(=O)c1sccc1SC(F)F ZINC000071884224 563379765 /nfs/dbraw/zinc/37/97/65/563379765.db2.gz GWJDTLCPIDEQEL-UHFFFAOYSA-N 0 0 349.811 4.977 50 0 EJAARN CCCCN(CC)C(=O)CCCOc1ccc(Cl)cc1Cl ZINC000002728606 563447376 /nfs/dbraw/zinc/44/73/76/563447376.db2.gz CGRSLVXFECRZMK-UHFFFAOYSA-N 0 0 332.271 4.801 50 0 EJAARN Cc1sc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)nc1-c1ccccc1 ZINC000000028425 563211600 /nfs/dbraw/zinc/21/16/00/563211600.db2.gz OIHCVXXZJIHZQS-IAGOWNOFSA-N 0 0 334.444 4.861 50 0 EJAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000000035710 563211966 /nfs/dbraw/zinc/21/19/66/563211966.db2.gz IOBRSBGNERMVKT-UHFFFAOYSA-N 0 0 326.783 4.864 50 0 EJAARN CCOc1ccc(CC(=O)Nc2cccc(Cl)c2C)cc1OCC ZINC000000038600 563212515 /nfs/dbraw/zinc/21/25/15/563212515.db2.gz NIFFLCHEYFEPRK-UHFFFAOYSA-N 0 0 347.842 4.627 50 0 EJAARN CCOC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(Cl)cc21 ZINC000000071146 563215481 /nfs/dbraw/zinc/21/54/81/563215481.db2.gz GWJSDXXLHCXVIL-UHFFFAOYSA-N 0 0 341.794 4.741 50 0 EJAARN CCc1oc2cc(OC)c(C)cc2c(=O)c1Oc1ccc(F)cc1 ZINC000000086768 563220828 /nfs/dbraw/zinc/22/08/28/563220828.db2.gz FKNDQLOHVLVZKF-UHFFFAOYSA-N 0 0 328.339 4.604 50 0 EJAARN COc1ccccc1OCc1nc2ccccc2n1Cc1ccccc1 ZINC000000092300 563222731 /nfs/dbraw/zinc/22/27/31/563222731.db2.gz REHHWBWTFZUYTA-UHFFFAOYSA-N 0 0 344.414 4.672 50 0 EJAARN Cc1ccc(C(C)C)c(OCC2N=NC(=S)N2c2ccccc2)c1 ZINC000000094460 563223640 /nfs/dbraw/zinc/22/36/40/563223640.db2.gz OSCREBPMAMPWBO-UHFFFAOYSA-N 0 0 339.464 4.567 50 0 EJAARN O=C(CSc1nc2ccccc2s1)Nc1ccc(Cl)cc1 ZINC000000097877 563224593 /nfs/dbraw/zinc/22/45/93/563224593.db2.gz IJKSMTWRBGIMRJ-UHFFFAOYSA-N 0 0 334.853 4.681 50 0 EJAARN O=C(CSc1nc2ccccc2s1)Nc1ccccc1Cl ZINC000000097879 563224632 /nfs/dbraw/zinc/22/46/32/563224632.db2.gz DKLLESHTAJWEMF-UHFFFAOYSA-N 0 0 334.853 4.681 50 0 EJAARN Cc1cc(OCC(=O)Nc2nc3ccccc3s2)cc(C)c1Cl ZINC000000097730 563224642 /nfs/dbraw/zinc/22/46/42/563224642.db2.gz LZYZKYJYQMBOCT-UHFFFAOYSA-N 0 0 346.839 4.584 50 0 EJAARN Fc1cccc(NC(=S)NC(c2ccccc2)c2ccccc2)c1 ZINC000000098544 563224927 /nfs/dbraw/zinc/22/49/27/563224927.db2.gz KDYWTCUJINGPRX-UHFFFAOYSA-N 0 0 336.435 4.902 50 0 EJAARN O=C1CS[C@@H](c2cccnc2)N1c1ccc(C2CCCCC2)cc1 ZINC000000100208 563225614 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4.758 50 0 EJAARN Cc1cc(C)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 ZINC000000562642 563347441 /nfs/dbraw/zinc/34/74/41/563347441.db2.gz KIIWXIAMVCMVBV-UHFFFAOYSA-N 0 0 325.721 4.685 50 0 EJAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(C(C)C)cc2)c(C)c1 ZINC000000572025 563350099 /nfs/dbraw/zinc/35/00/99/563350099.db2.gz UQVDMBWZNDYBTP-UHFFFAOYSA-N 0 0 326.465 4.554 50 0 EJAARN Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(F)cc2)cc1 ZINC000000572821 563350300 /nfs/dbraw/zinc/35/03/00/563350300.db2.gz KONXNLLMEJDTPD-UHFFFAOYSA-N 0 0 330.362 4.500 50 0 EJAARN COc1cccc(N2C(=S)N=NC2c2ccc(C(C)(C)C)cc2)c1 ZINC000000610745 563353701 /nfs/dbraw/zinc/35/37/01/563353701.db2.gz DXPGVQZOBXAYRV-UHFFFAOYSA-N 0 0 339.464 4.529 50 0 EJAARN CCc1ccc(CC)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000000611353 563354325 /nfs/dbraw/zinc/35/43/25/563354325.db2.gz PGNPFTXFFQKDSS-UHFFFAOYSA-N 0 0 331.481 4.537 50 0 EJAARN CC[C@H](C)c1ccc(NC(=S)Nc2cccc(NC(C)=O)c2)cc1 ZINC000000611201 563354350 /nfs/dbraw/zinc/35/43/50/563354350.db2.gz WVQYQLXZJXRXTI-ZDUSSCGKSA-N 0 0 341.480 4.967 50 0 EJAARN CCCc1cc(=O)oc2c(C)c(OCc3c(F)cccc3F)ccc12 ZINC000000612293 563355393 /nfs/dbraw/zinc/35/53/93/563355393.db2.gz AGUFRGANDGKWQM-UHFFFAOYSA-N 0 0 344.357 4.911 50 0 EJAARN CC(C)Oc1ccc(CNC(=O)C2(c3ccccc3)CCCC2)cc1 ZINC000000613445 563356432 /nfs/dbraw/zinc/35/64/32/563356432.db2.gz NVYJZZAJSORIRL-UHFFFAOYSA-N 0 0 337.463 4.602 50 0 EJAARN Cc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000000613878 563356618 /nfs/dbraw/zinc/35/66/18/563356618.db2.gz BUDRSCPLGOQSJR-UHFFFAOYSA-N 0 0 348.377 4.639 50 0 EJAARN Cc1ccc(-c2nnc(-c3cccc(NC(=O)C(C)(C)C)c3)o2)cc1 ZINC000000613998 563356687 /nfs/dbraw/zinc/35/66/87/563356687.db2.gz BBKYNAOKABXUCK-UHFFFAOYSA-N 0 0 335.407 4.697 50 0 EJAARN C[C@@H]1CN(C(=O)N2c3ccccc3Sc3ccccc32)C[C@@H](C)O1 ZINC000000614161 563357113 /nfs/dbraw/zinc/35/71/13/563357113.db2.gz OYAYKHLEMQYGQU-ZIAGYGMSSA-N 0 0 340.448 4.519 50 0 EJAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(Br)c(C)c1 ZINC000000617419 563359204 /nfs/dbraw/zinc/35/92/04/563359204.db2.gz KFYZFLPXKVRGIE-MRXNPFEDSA-N 0 0 348.240 4.554 50 0 EJAARN Cc1c(C)c(NC(=O)c2ccc(Cl)cc2)ccc1Br ZINC000000617781 563359473 /nfs/dbraw/zinc/35/94/73/563359473.db2.gz ZKMRAMLGYDXPQP-UHFFFAOYSA-N 0 0 338.632 4.972 50 0 EJAARN Cc1ccc(C(=O)Nc2ccccc2C(=O)OCc2ccccc2)cc1 ZINC000000618323 563360242 /nfs/dbraw/zinc/36/02/42/563360242.db2.gz KVPUZRQVYQWFET-UHFFFAOYSA-N 0 0 345.398 4.604 50 0 EJAARN CCc1cccc2c(C=O)cn(CCOc3ccc(Cl)cc3)c21 ZINC000000618855 563360630 /nfs/dbraw/zinc/36/06/30/563360630.db2.gz CQICQXIGEGLGQC-UHFFFAOYSA-N 0 0 327.811 4.749 50 0 EJAARN O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccccc1Cl ZINC000000619366 563360944 /nfs/dbraw/zinc/36/09/44/563360944.db2.gz PVGOCGWMAYFRFN-UHFFFAOYSA-N 0 0 328.843 4.973 50 0 EJAARN O=C(Nc1ccccc1F)c1ccc(CSc2ccccn2)cc1 ZINC000000620164 563361657 /nfs/dbraw/zinc/36/16/57/563361657.db2.gz UOGCBZCSNFMLRE-UHFFFAOYSA-N 0 0 338.407 4.765 50 0 EJAARN CCc1cccc(CC)c1NC(=O)c1ccc(SC)cc1OC ZINC000000620034 563361696 /nfs/dbraw/zinc/36/16/96/563361696.db2.gz NEQKQQOQJYJCGQ-UHFFFAOYSA-N 0 0 329.465 4.794 50 0 EJAARN CCCC(CCC)C(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1 ZINC000000802351 563363776 /nfs/dbraw/zinc/36/37/76/563363776.db2.gz RRGMBRTYQKTIMF-UHFFFAOYSA-N 0 0 342.439 4.995 50 0 EJAARN Cc1cc(C)cc(NC(=O)COc2c(C)cc(Cl)cc2Cl)c1 ZINC000000858643 563364839 /nfs/dbraw/zinc/36/48/39/563364839.db2.gz ZTGQUMXUBOSIFQ-UHFFFAOYSA-N 0 0 338.234 4.936 50 0 EJAARN O=C(CSc1ccccc1)NC(c1ccccc1)c1ccccc1 ZINC000000860501 563365585 /nfs/dbraw/zinc/36/55/85/563365585.db2.gz PQJWJJORGRGNJW-UHFFFAOYSA-N 0 0 333.456 4.685 50 0 EJAARN COc1ccc(C(=O)COc2ccc(-c3ccccc3)cc2)c(OC)c1 ZINC000000950668 563366321 /nfs/dbraw/zinc/36/63/21/563366321.db2.gz BKAFBQLCVUSTCX-UHFFFAOYSA-N 0 0 348.398 4.633 50 0 EJAARN COc1ccc2oc([C@H](O)c3c(C)oc4ccc(OC)cc43)cc2c1 ZINC000000978295 563367015 /nfs/dbraw/zinc/36/70/15/563367015.db2.gz HYMWUQDJKXBZTL-FQEVSTJZSA-N 0 0 338.359 4.586 50 0 biogenic EJAARN COc1cc(OC)c(NC(=O)c2csc3ccccc23)cc1Cl ZINC000001056083 563371167 /nfs/dbraw/zinc/37/11/67/563371167.db2.gz JZNRRVPBJIKAHE-UHFFFAOYSA-N 0 0 347.823 4.824 50 0 EJAARN O=C(Cc1ccc2c(c1)CCCC2)Nc1ccccc1Br ZINC000001059754 563371884 /nfs/dbraw/zinc/37/18/84/563371884.db2.gz DTSDGDODMBNKDW-UHFFFAOYSA-N 0 0 344.252 4.509 50 0 EJAARN C/C(=C/c1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000001130840 563375887 /nfs/dbraw/zinc/37/58/87/563375887.db2.gz RHJCYBHJHWSRSF-ZCXUNETKSA-N 0 0 327.427 4.996 50 0 EJAARN O=C1S/C(=C\c2cccs2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000001173007 563377353 /nfs/dbraw/zinc/37/73/53/563377353.db2.gz BZJYNYJWZBYIGZ-JYRVWZFOSA-N 0 0 335.837 4.638 50 0 EJAARN Cc1ccc2nc(NC(=O)c3ccc(OCC(C)C)cc3)sc2c1 ZINC000001206412 563379096 /nfs/dbraw/zinc/37/90/96/563379096.db2.gz AEKRRLQWZIASHN-UHFFFAOYSA-N 0 0 340.448 4.892 50 0 EJAARN CC(C)(C)c1ccc(OCC(=O)Nc2nc3ccccc3s2)cc1 ZINC000001204729 563379187 /nfs/dbraw/zinc/37/91/87/563379187.db2.gz NRFSYLGGHVQJFO-UHFFFAOYSA-N 0 0 340.448 4.611 50 0 EJAARN O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000001234717 563380529 /nfs/dbraw/zinc/38/05/29/563380529.db2.gz KHDFIBIXXCAAKP-LEWJYISDSA-N 0 0 327.427 4.696 50 0 EJAARN O=C(NC(c1ccccc1)c1ccccc1)[C@H]1C[C@H]1c1ccccc1 ZINC000001234719 563381057 /nfs/dbraw/zinc/38/10/57/563381057.db2.gz KHDFIBIXXCAAKP-SFTDATJTSA-N 0 0 327.427 4.696 50 0 EJAARN O=C(OCc1cc(-c2ccccc2)on1)c1cccc(C(F)(F)F)c1 ZINC000001394143 563386061 /nfs/dbraw/zinc/38/60/61/563386061.db2.gz DXBASFJIFFQITI-UHFFFAOYSA-N 0 0 347.292 4.717 50 0 EJAARN CCc1ccc([C@H]2CC(c3ccc(Cl)c(Cl)c3)=NNC2=O)cc1 ZINC000001397723 563387033 /nfs/dbraw/zinc/38/70/33/563387033.db2.gz DPAPWHAZVRBINK-CQSZACIVSA-N 0 0 347.245 4.564 50 0 EJAARN CCc1ccc([C@@H]2CC(c3ccc(Cl)c(Cl)c3)=NNC2=O)cc1 ZINC000001397724 563387053 /nfs/dbraw/zinc/38/70/53/563387053.db2.gz DPAPWHAZVRBINK-AWEZNQCLSA-N 0 0 347.245 4.564 50 0 EJAARN Cc1ccc(C(=O)N2CCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)cc1 ZINC000001428915 563388945 /nfs/dbraw/zinc/38/89/45/563388945.db2.gz VZIZHLKECMWUSI-NRFANRHFSA-N 0 0 344.458 4.792 50 0 EJAARN Cc1cccc(NS(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)c1C ZINC000001431601 563388972 /nfs/dbraw/zinc/38/89/72/563388972.db2.gz VAXHCLAPFAEVOT-UHFFFAOYSA-N 0 0 349.455 4.675 50 0 EJAARN CCCCOc1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000001748072 563409239 /nfs/dbraw/zinc/40/92/39/563409239.db2.gz UBGULNOPIJINHC-UHFFFAOYSA-N 0 0 327.424 4.663 50 0 EJAARN Cc1cccc(OCCCC(=O)Nc2ccc(OC(C)C)cc2)c1 ZINC000001775689 563410916 /nfs/dbraw/zinc/41/09/16/563410916.db2.gz MBOSCHDCYPHSHN-UHFFFAOYSA-N 0 0 327.424 4.580 50 0 EJAARN CCCCCCOC(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000001807756 563413104 /nfs/dbraw/zinc/41/31/04/563413104.db2.gz GSNKVOLMYKSYKI-UHFFFAOYSA-N 0 0 331.437 4.738 50 0 EJAARN O=C(Oc1ccc2oc(-c3ccccc3)cc(=O)c2c1)C1CCCCC1 ZINC000001977915 563417590 /nfs/dbraw/zinc/41/75/90/563417590.db2.gz NPJSUBBOFLHQOL-UHFFFAOYSA-N 0 0 348.398 4.946 50 0 EJAARN CC(C)CCCOC(=O)c1ccccc1C(=O)OCCCC(C)C ZINC000002040955 563419012 /nfs/dbraw/zinc/41/90/12/563419012.db2.gz ALEROMXYYSQFLX-UHFFFAOYSA-N 0 0 334.456 4.873 50 0 EJAARN CCCCOc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1 ZINC000002062603 563420955 /nfs/dbraw/zinc/42/09/55/563420955.db2.gz LFOPPTJFBRRDKK-UHFFFAOYSA-N 0 0 333.815 4.780 50 0 EJAARN CCCC(=O)Nc1cc(C(=O)Nc2cc(C)cc(C)c2)ccc1Cl ZINC000002069796 563421097 /nfs/dbraw/zinc/42/10/97/563421097.db2.gz MZSPTIKCNCVIQN-UHFFFAOYSA-N 0 0 344.842 4.948 50 0 EJAARN CCCSc1nc2sc(C)c(C)c2c(=O)n1-c1ccc(C)cc1 ZINC000002143386 563423725 /nfs/dbraw/zinc/42/37/25/563423725.db2.gz KNISWJYCEFZADN-UHFFFAOYSA-N 0 0 344.505 4.875 50 0 EJAARN CCc1ccccc1NC(=O)[C@H]1[C@@H](c2ccccc2)C1(Cl)Cl ZINC000002188547 563426221 /nfs/dbraw/zinc/42/62/21/563426221.db2.gz QQAFPMSTDLZFFD-HZPDHXFCSA-N 0 0 334.246 4.775 50 0 EJAARN Cc1cccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000002196907 563426691 /nfs/dbraw/zinc/42/66/91/563426691.db2.gz HXWRRNFFOQYTFF-UHFFFAOYSA-N 0 0 335.432 4.991 50 0 EJAARN CCCCC(=O)Nc1nn(CC(C)C)c2nc3ccc(C)cc3cc12 ZINC000002235499 563427622 /nfs/dbraw/zinc/42/76/22/563427622.db2.gz ALPWNZZAFLYFRF-UHFFFAOYSA-N 0 0 338.455 4.678 50 0 EJAARN CC[C@@H](C)Nc1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn21 ZINC000002395404 563431624 /nfs/dbraw/zinc/43/16/24/563431624.db2.gz XYFKYGSISGIFFD-LLVKDONJSA-N 0 0 328.847 4.877 50 0 EJAARN O=C(Cc1ccc(Br)cc1)c1ccc(C(F)(F)F)cc1 ZINC000002393040 563431641 /nfs/dbraw/zinc/43/16/41/563431641.db2.gz FSVDTRQXNCWVRI-UHFFFAOYSA-N 0 0 343.142 4.893 50 0 EJAARN O=C(Cc1ccccc1Br)c1ccccc1C(F)(F)F ZINC000002393028 563431659 /nfs/dbraw/zinc/43/16/59/563431659.db2.gz MCPUKYDFNVDYOT-UHFFFAOYSA-N 0 0 343.142 4.893 50 0 EJAARN O=C(COc1ccc(-c2cnc3ccccc3n2)cc1)c1cccs1 ZINC000002478188 563433415 /nfs/dbraw/zinc/43/34/15/563433415.db2.gz SYYGORSWPHLEHA-UHFFFAOYSA-N 0 0 346.411 4.620 50 0 EJAARN Cc1c(C(F)(F)F)c(C(F)(F)F)c(C)n1C(=O)c1ccccc1 ZINC000002519544 563438391 /nfs/dbraw/zinc/43/83/91/563438391.db2.gz VSJOKQZSFQAQKW-UHFFFAOYSA-N 0 0 335.247 4.831 50 0 EJAARN Cc1c(C)c([C@@H]2CCC[C@H](c3[nH]c(C=O)c(C)c3C)C2)[nH]c1C=O ZINC000002519495 563438411 /nfs/dbraw/zinc/43/84/11/563438411.db2.gz KDNCCTGOYLFGDC-IYBDPMFKSA-N 0 0 326.440 4.643 50 0 EJAARN Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1Cl)CCCC2 ZINC000002522258 563439034 /nfs/dbraw/zinc/43/90/34/563439034.db2.gz MQBHUVBNOLCBIT-UHFFFAOYSA-N 0 0 341.263 4.768 50 0 EJAARN CSc1ccc(-c2nn(-c3ccc(F)c(Cl)c3)cc2CO)cc1 ZINC000002544982 563440508 /nfs/dbraw/zinc/44/05/08/563440508.db2.gz NKUKPDULGHDUDY-UHFFFAOYSA-N 0 0 348.830 4.546 50 0 EJAARN CC[C@H]1CCc2c(sc(N)c2C(=O)Nc2ccccc2Cl)C1 ZINC000002558447 563441132 /nfs/dbraw/zinc/44/11/32/563441132.db2.gz OZJGXGCEDOTXRY-JTQLQIEISA-N 0 0 334.872 4.751 50 0 EJAARN CCCCC[C@@H](C)NC(=O)CCCOc1ccc(Cl)cc1C ZINC000002740699 563448160 /nfs/dbraw/zinc/44/81/60/563448160.db2.gz OWJJKVRAKVNFOQ-OAHLLOKOSA-N 0 0 325.880 4.892 50 0 EJAARN CCOc1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000002754499 563449100 /nfs/dbraw/zinc/44/91/00/563449100.db2.gz HORNCWRJQRBORP-UHFFFAOYSA-N 0 0 342.395 4.600 50 0 EJAARN CCCCc1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000002766324 563450242 /nfs/dbraw/zinc/45/02/42/563450242.db2.gz MDFJGUCJOICAGT-UHFFFAOYSA-N 0 0 331.481 4.755 50 0 EJAARN CCCC[C@H](CC)CNC(=O)/C=C/c1ccc(Br)cc1 ZINC000002774129 563450480 /nfs/dbraw/zinc/45/04/80/563450480.db2.gz CJFQCRMOKGWYRC-TZIYXEQSSA-N 0 0 338.289 4.795 50 0 EJAARN O=C(OCc1ccc(Cl)cc1)c1ccc2c(c1)-c1ccccc1C2=O ZINC000002811726 563451648 /nfs/dbraw/zinc/45/16/48/563451648.db2.gz VQSGCGHVAFRSSX-UHFFFAOYSA-N 0 0 348.785 4.908 50 0 EJAARN CCCOc1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1 ZINC000002829753 563453288 /nfs/dbraw/zinc/45/32/88/563453288.db2.gz DJULAMHDDMTMSV-UHFFFAOYSA-N 0 0 338.451 4.718 50 0 EJAARN CCN(c1cccc(C)c1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000002841711 563454707 /nfs/dbraw/zinc/45/47/07/563454707.db2.gz HIOBXSMGEGTBFK-UHFFFAOYSA-N 0 0 344.263 4.517 50 0 EJAARN CC(=O)Nc1cccc(-c2csc(Nc3ccc(F)cc3)n2)c1 ZINC000002860567 563456791 /nfs/dbraw/zinc/45/67/91/563456791.db2.gz JFOUDUSFWKUQAC-UHFFFAOYSA-N 0 0 327.384 4.651 50 0 EJAARN CC(C)(C)c1ccc(-c2nn3c(Cc4ccccc4)nnc3s2)cc1 ZINC000002862262 563456997 /nfs/dbraw/zinc/45/69/97/563456997.db2.gz GDZOKUZOPXWQCA-UHFFFAOYSA-N 0 0 348.475 4.741 50 0 EJAARN CCOc1ccc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)cc1OC ZINC000002881856 563461100 /nfs/dbraw/zinc/46/11/00/563461100.db2.gz PKLJEOQSSSVFFF-KRWDZBQOSA-N 0 0 347.414 4.721 50 0 EJAARN Cc1nnc(SCCCC(=O)c2ccc(C(C)(C)C)cc2)s1 ZINC000002884138 563461424 /nfs/dbraw/zinc/46/14/24/563461424.db2.gz PDKGMIZMVYLJSQ-UHFFFAOYSA-N 0 0 334.510 4.899 50 0 EJAARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)Nc1ccc(Cl)cc1 ZINC000002890478 563462009 /nfs/dbraw/zinc/46/20/09/563462009.db2.gz AHJLCQNZJHLCPU-LBPRGKRZSA-N 0 0 345.830 4.512 50 0 EJAARN Cc1ccc(C)c(NC[C@@H](O)Cn2c3ccccc3c3ccccc32)c1 ZINC000002911501 563463046 /nfs/dbraw/zinc/46/30/46/563463046.db2.gz RBEZTICRJDPDEY-GOSISDBHSA-N 0 0 344.458 4.884 50 0 EJAARN CCOc1ccccc1C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000002906627 563463137 /nfs/dbraw/zinc/46/31/37/563463137.db2.gz RPDIRFYHSHFGSO-UHFFFAOYSA-N 0 0 347.414 4.917 50 0 EJAARN Cc1c(OCc2ccccc2F)ccc2c3c(c(=O)oc12)CCCC3 ZINC000002954710 563464399 /nfs/dbraw/zinc/46/43/99/563464399.db2.gz ULMAXSUAYHIACX-UHFFFAOYSA-N 0 0 338.378 4.698 50 0 EJAARN O=C(Nc1cccc(Cl)c1)[C@@]1(c2ccccc2)CC1(Cl)Cl ZINC000002976790 563465211 /nfs/dbraw/zinc/46/52/11/563465211.db2.gz OEIPBGWWNVVPDU-HNNXBMFYSA-N 0 0 340.637 4.794 50 0 EJAARN CCOc1ccccc1OCCOc1c(Cl)cccc1Cl ZINC000002984212 563466255 /nfs/dbraw/zinc/46/62/55/563466255.db2.gz FJVCJOSYLURWOX-UHFFFAOYSA-N 0 0 327.207 4.850 50 0 EJAARN COc1cccc(OC)c1OCCCOc1cc(C)ccc1Cl ZINC000002985259 563466417 /nfs/dbraw/zinc/46/64/17/563466417.db2.gz SCAILIAKADNVMA-UHFFFAOYSA-N 0 0 336.815 4.514 50 0 EJAARN Clc1ccc(OCCOc2cccc3cccnc32)c(Cl)c1 ZINC000002984956 563466494 /nfs/dbraw/zinc/46/64/94/563466494.db2.gz AAFHSIABNBCTGD-UHFFFAOYSA-N 0 0 334.202 4.999 50 0 EJAARN CCCCOc1ccccc1/C=C1/N=C(c2ccc(C)cc2)OC1=O ZINC000003016878 563469792 /nfs/dbraw/zinc/46/97/92/563469792.db2.gz UGDIYQZVVZQTPC-NBVRZTHBSA-N 0 0 335.403 4.518 50 0 EJAARN O=C(OCCOc1ccc(Cl)cc1Cl)c1ccccc1Cl ZINC000003119823 563472708 /nfs/dbraw/zinc/47/27/08/563472708.db2.gz WUCHWAKRAZLRCS-UHFFFAOYSA-N 0 0 345.609 4.883 50 0 EJAARN COc1ccc(C(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1 ZINC000003258669 563478386 /nfs/dbraw/zinc/47/83/86/563478386.db2.gz AGLHANFYWJESSK-UHFFFAOYSA-N 0 0 347.370 4.856 50 0 biogenic EJAARN CCc1[nH]nc(-c2ccc(C)cc2C)c1NC(=O)C1CCCCC1 ZINC000034794791 563479672 /nfs/dbraw/zinc/47/96/72/563479672.db2.gz HGTPFEDFDTVBDI-UHFFFAOYSA-N 0 0 325.456 4.775 50 0 EJAARN CCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)c1ccc(Cl)cc1 ZINC000034794982 563479978 /nfs/dbraw/zinc/47/99/78/563479978.db2.gz XACYBTKGNJZTNQ-UHFFFAOYSA-N 0 0 343.789 4.684 50 0 EJAARN COc1ccc(-c2n[nH]c(CC(C)C)c2NC(=O)c2ccccc2)cc1 ZINC000034795916 563480374 /nfs/dbraw/zinc/48/03/74/563480374.db2.gz QZXWPGONDANIGR-UHFFFAOYSA-N 0 0 349.434 4.536 50 0 EJAARN O=C(Cc1ccccc1)Nc1c(-c2ccco2)n[nH]c1-c1ccccc1 ZINC000034796895 563481178 /nfs/dbraw/zinc/48/11/78/563481178.db2.gz ZWZLEGDVVRWGEG-UHFFFAOYSA-N 0 0 343.386 4.518 50 0 EJAARN CC(C)C(NC(=O)c1cc2c(s1)-c1ccccc1OC2)C(C)C ZINC000034904372 563481371 /nfs/dbraw/zinc/48/13/71/563481371.db2.gz OXFPQVZZUYHRSI-UHFFFAOYSA-N 0 0 329.465 4.718 50 0 EJAARN COc1ccc(NC(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)cc1 ZINC000034898343 563483316 /nfs/dbraw/zinc/48/33/16/563483316.db2.gz HKOHRODXMQATGI-UHFFFAOYSA-N 0 0 349.390 4.835 50 0 EJAARN CCn1nc(C(=O)Nc2ccc(F)cc2)cc1-c1ccc(Cl)s1 ZINC000034901073 563483529 /nfs/dbraw/zinc/48/35/29/563483529.db2.gz FXDMHNCKIIYRDK-UHFFFAOYSA-N 0 0 349.818 4.676 50 0 EJAARN CCCn1nc(-c2ccccc2OC)cc1C(=O)Nc1cccc(C)c1 ZINC000034902697 563483981 /nfs/dbraw/zinc/48/39/81/563483981.db2.gz VDPDMHBREIULOS-UHFFFAOYSA-N 0 0 349.434 4.529 50 0 EJAARN Cc1cc(CN(C)C(=O)N[C@@H](c2cccs2)C2CCCCC2)on1 ZINC000584904230 563488211 /nfs/dbraw/zinc/48/82/11/563488211.db2.gz AJJBGXJBNUKCDC-QGZVFWFLSA-N 0 0 347.484 4.508 50 0 EJAARN CC(C)n1c2ccccc2nc1C(O)(c1ccccc1)c1ccccc1 ZINC000003876387 563490221 /nfs/dbraw/zinc/49/02/21/563490221.db2.gz OQTPVZRVAHFGLH-UHFFFAOYSA-N 0 0 342.442 4.901 50 0 EJAARN O=C(NCCSCc1ccco1)Nc1cc(Cl)cc(Cl)c1 ZINC000004364712 563501436 /nfs/dbraw/zinc/50/14/36/563501436.db2.gz YNGWGTOZIMTDTA-UHFFFAOYSA-N 0 0 345.251 4.641 50 0 EJAARN Cc1nc(C(F)(F)F)nc(N2CCCCC2)c1Oc1ccccc1 ZINC000004394675 563502158 /nfs/dbraw/zinc/50/21/58/563502158.db2.gz LQWXGTJFTNNNLC-UHFFFAOYSA-N 0 0 337.345 4.586 50 0 EJAARN Cc1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc(C)c1O ZINC000004649479 563506525 /nfs/dbraw/zinc/50/65/25/563506525.db2.gz NPRRZUQQVVUABQ-OAQYLSRUSA-N 0 0 344.414 4.780 50 0 EJAARN COc1ccc(OC)c([C@@H](C)NC(=O)Nc2cccc(Cl)c2C)c1 ZINC000005061171 563520465 /nfs/dbraw/zinc/52/04/65/563520465.db2.gz MZSAOFSDKBULGX-GFCCVEGCSA-N 0 0 348.830 4.548 50 0 EJAARN CCn1c2ccc(Br)cc2c2cc(NC(C)=O)ccc21 ZINC000005126672 563521356 /nfs/dbraw/zinc/52/13/56/563521356.db2.gz MDAUVHHFHNVVOP-UHFFFAOYSA-N 0 0 331.213 4.535 50 0 EJAARN Cc1ccc(-c2cnn3c2nc(C(C)(C)C)cc3N2CCCCC2)cc1 ZINC000005346505 563527948 /nfs/dbraw/zinc/52/79/48/563527948.db2.gz GDTSWGBENAJSTO-UHFFFAOYSA-N 0 0 348.494 4.993 50 0 EJAARN Cc1nn(-c2ccccc2)c2c1C(=O)C[C@H](c1cccc(Cl)c1)C2 ZINC000005451470 563533280 /nfs/dbraw/zinc/53/32/80/563533280.db2.gz PIHJKUQXZJMLQP-OAHLLOKOSA-N 0 0 336.822 4.747 50 0 EJAARN COc1cccc(Nc2cc(C)nc3c(-c4ccccc4)c(C)nn32)c1 ZINC000005516614 563536578 /nfs/dbraw/zinc/53/65/78/563536578.db2.gz RGIMZNQTAHAERS-UHFFFAOYSA-N 0 0 344.418 4.765 50 0 EJAARN CCC[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(OCC)cc3)=NN21 ZINC000006046045 563558100 /nfs/dbraw/zinc/55/81/00/563558100.db2.gz FSVQBXUFAOCYLX-FPOVZHCZSA-N 0 0 336.435 4.755 50 0 EJAARN COc1ccc(Cc2nnc(SCc3ccccc3Cl)o2)cc1 ZINC000006230415 563561738 /nfs/dbraw/zinc/56/17/38/563561738.db2.gz NMRJINTWBUHVEC-UHFFFAOYSA-N 0 0 346.839 4.615 50 0 EJAARN COc1ccccc1-c1nnc(SCc2ccccc2Cl)o1 ZINC000006259640 563563028 /nfs/dbraw/zinc/56/30/28/563563028.db2.gz HDXFBDOKUPTLMB-UHFFFAOYSA-N 0 0 332.812 4.691 50 0 EJAARN CCCCOc1ccccc1-c1nc(SCc2ccccc2)n[nH]1 ZINC000006359804 563565873 /nfs/dbraw/zinc/56/58/73/563565873.db2.gz PIZNNGJMVHDWDO-UHFFFAOYSA-N 0 0 339.464 4.943 50 0 EJAARN CCC(C)(C)C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 ZINC000071909317 563573202 /nfs/dbraw/zinc/57/32/02/563573202.db2.gz LZBUJKNYRPUYJX-XMMPIXPASA-N 0 0 343.492 4.510 50 0 EJAARN COc1ccc(C(=O)Nc2ccccc2Cc2ccccc2)cc1OC ZINC000006582750 563573505 /nfs/dbraw/zinc/57/35/05/563573505.db2.gz CZDSZMIUEQFELV-UHFFFAOYSA-N 0 0 347.414 4.547 50 0 EJAARN CC(C)c1cnc(-c2ccc(NC(=O)[C@H]3C[C@H]3c3cccnc3)cc2)o1 ZINC000071909708 563575568 /nfs/dbraw/zinc/57/55/68/563575568.db2.gz IGBKDDCGSDWKMD-ROUUACIJSA-N 0 0 347.418 4.602 50 0 EJAARN Cc1cccc(/C=C/C(=O)Nc2ccc(Br)cc2F)c1 ZINC000002506080 563576763 /nfs/dbraw/zinc/57/67/63/563576763.db2.gz ITURUOLDLYYIMV-VMPITWQZSA-N 0 0 334.188 4.549 50 0 EJAARN O=C(NCCc1cc2ccccc2[nH]1)Nc1cccc2ccccc21 ZINC000006700749 563579445 /nfs/dbraw/zinc/57/94/45/563579445.db2.gz LXBZSJRDWOROLT-UHFFFAOYSA-N 0 0 329.403 4.685 50 0 EJAARN Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000006703311 563580781 /nfs/dbraw/zinc/58/07/81/563580781.db2.gz GPDYSUKORUXAIA-UHFFFAOYSA-N 0 0 347.201 4.605 50 0 EJAARN CCC[C@@H]1C[C@](C)(c2csc(Nc3cccc(C)c3)n2)OC1=O ZINC000006783509 563586009 /nfs/dbraw/zinc/58/60/09/563586009.db2.gz AWWCQCQLZUISCS-FZKQIMNGSA-N 0 0 330.453 4.774 50 0 EJAARN COc1ccc(-c2nnc(Sc3cc(C)nc4ccccc43)o2)cc1 ZINC000006792804 563586647 /nfs/dbraw/zinc/58/66/47/563586647.db2.gz UNINWFNXQPTLFX-UHFFFAOYSA-N 0 0 349.415 4.753 50 0 EJAARN COc1cc(C(C)=O)ccc1OCc1cc2ccccc2nc1Cl ZINC000007438505 563602397 /nfs/dbraw/zinc/60/23/97/563602397.db2.gz ZRTMXAYRUPYHPP-UHFFFAOYSA-N 0 0 341.794 4.678 50 0 EJAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)sc2Cl)cc1 ZINC000002709057 563603650 /nfs/dbraw/zinc/60/36/50/563603650.db2.gz KRUDWDXKRPTXDJ-UHFFFAOYSA-N 0 0 349.864 4.605 50 0 EJAARN O=C(Nc1nc2c(cccc2F)s1)c1cccc(C(F)(F)F)c1 ZINC000002714011 563606804 /nfs/dbraw/zinc/60/68/04/563606804.db2.gz HPVIVTLQIIWNMI-UHFFFAOYSA-N 0 0 340.301 4.707 50 0 EJAARN O=C(CSc1c2ccccc2[nH]c1-c1ccccc1)N1CCCC1 ZINC000002718343 563607187 /nfs/dbraw/zinc/60/71/87/563607187.db2.gz UAXLLTQZCYUMAS-UHFFFAOYSA-N 0 0 336.460 4.549 50 0 EJAARN CCc1cc(C(=O)Nc2nc(-c3ccccc3)c(C)s2)cs1 ZINC000002738077 563607852 /nfs/dbraw/zinc/60/78/52/563607852.db2.gz VDSZCILXRPTDTA-UHFFFAOYSA-N 0 0 328.462 4.995 50 0 EJAARN Cc1ccc(NC(=O)c2cccs2)c(NC(=O)c2cccs2)c1 ZINC000002760167 563612407 /nfs/dbraw/zinc/61/24/07/563612407.db2.gz WTHRYCISWAAMAY-UHFFFAOYSA-N 0 0 342.445 4.623 50 0 EJAARN Cc1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)nc1 ZINC000002773475 563614167 /nfs/dbraw/zinc/61/41/67/563614167.db2.gz XLUOIOJIENJAHF-IBGZPJMESA-N 0 0 334.444 4.862 50 0 EJAARN Cc1ccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)nc1 ZINC000002773474 563614202 /nfs/dbraw/zinc/61/42/02/563614202.db2.gz XLUOIOJIENJAHF-LJQANCHMSA-N 0 0 334.444 4.862 50 0 EJAARN COc1ccc2cc([C@H](C)C(=O)Nc3ccc(F)cc3F)ccc2c1 ZINC000008076526 563621007 /nfs/dbraw/zinc/62/10/07/563621007.db2.gz QDHZNRSDWWFXAS-LBPRGKRZSA-N 0 0 341.357 4.869 50 0 EJAARN CN(Cc1ccccc1)C(=O)c1ccc(OCc2ccccc2)cc1 ZINC000008162577 563622781 /nfs/dbraw/zinc/62/27/81/563622781.db2.gz BZCZKTCADXGGOK-UHFFFAOYSA-N 0 0 331.415 4.538 50 0 EJAARN Cc1ccc(-c2nnc3sc(-c4cccc5ccccc54)nn32)cc1 ZINC000008715028 563636675 /nfs/dbraw/zinc/63/66/75/563636675.db2.gz HTTUHTXJIRSVMB-UHFFFAOYSA-N 0 0 342.427 4.981 50 0 EJAARN O=C(Nc1ccccc1)Nc1ccc(OCCOc2ccccc2)cc1 ZINC000008723188 563637584 /nfs/dbraw/zinc/63/75/84/563637584.db2.gz HFZHQDBVLDDYCJ-UHFFFAOYSA-N 0 0 348.402 4.788 50 0 EJAARN CCCCCc1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)s1 ZINC000008743213 563638821 /nfs/dbraw/zinc/63/88/21/563638821.db2.gz AJESFLIRIVZPCL-UHFFFAOYSA-N 0 0 331.485 4.821 50 0 EJAARN CCCC(=O)N(Cc1ccco1)c1nc2c(s1)c(C)ccc2C ZINC000022899317 563645204 /nfs/dbraw/zinc/64/52/04/563645204.db2.gz SXTMVNHGDLHDSW-UHFFFAOYSA-N 0 0 328.437 4.839 50 0 EJAARN COc1cccc([C@H](C)NC(=O)c2cncc(-c3ccc(C)cc3)c2)c1 ZINC000064568260 563652584 /nfs/dbraw/zinc/65/25/84/563652584.db2.gz NLTOEWDEDDUWQV-INIZCTEOSA-N 0 0 346.430 4.557 50 0 EJAARN COc1ccc([C@H](CC(=O)N2CCCCCC2)c2ccccc2)cc1 ZINC000012030398 563652793 /nfs/dbraw/zinc/65/27/93/563652793.db2.gz UVQSQWFIWVQTMJ-OAQYLSRUSA-N 0 0 337.463 4.620 50 0 EJAARN COc1ccc(Cl)cc1CSc1nnc(NC(C)(C)C)s1 ZINC000032608884 563662352 /nfs/dbraw/zinc/66/23/52/563662352.db2.gz HSQDKBOUBRYHDL-UHFFFAOYSA-N 0 0 343.905 4.703 50 0 EJAARN O=C(CSc1ccccn1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000012587239 563664254 /nfs/dbraw/zinc/66/42/54/563664254.db2.gz BOPOZORKUKNJNA-UHFFFAOYSA-N 0 0 347.654 4.773 50 0 EJAARN Cc1ccc(-c2nc(CN3CCCC[C@H]3c3nccs3)c(C)o2)o1 ZINC000012594156 563664731 /nfs/dbraw/zinc/66/47/31/563664731.db2.gz MDVSHGPCBDXYNY-HNNXBMFYSA-N 0 0 343.452 4.735 50 0 EJAARN CCc1ccc2oc(-c3cc(NC(=O)C(C)(C)C)ccc3O)nc2c1 ZINC000012651618 563666867 /nfs/dbraw/zinc/66/68/67/563666867.db2.gz BLPZZBQATJMIIM-UHFFFAOYSA-N 0 0 338.407 4.747 50 0 EJAARN COc1ccccc1-c1ccc(SCc2ccccc2F)nn1 ZINC000004356127 563666884 /nfs/dbraw/zinc/66/68/84/563666884.db2.gz WLNGNECPJIWIAF-UHFFFAOYSA-N 0 0 326.396 4.584 50 0 EJAARN O=C(N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2)C1CCC1 ZINC000012738198 563669436 /nfs/dbraw/zinc/66/94/36/563669436.db2.gz KAYJFGUMOQHKPB-LJQANCHMSA-N 0 0 325.477 4.633 50 0 EJAARN Cc1noc2nc(C3CC3)cc(C(=O)Nc3cc(Cl)ccc3C)c12 ZINC000012768217 563670612 /nfs/dbraw/zinc/67/06/12/563670612.db2.gz KMXZXAMZTFQKKF-UHFFFAOYSA-N 0 0 341.798 4.623 50 0 EJAARN CCCn1c(=O)c2ccccc2nc1S[C@@H](C)c1ccc(F)cc1 ZINC000012772937 563670618 /nfs/dbraw/zinc/67/06/18/563670618.db2.gz SWOODINMWBYBAU-ZDUSSCGKSA-N 0 0 342.439 4.799 50 0 EJAARN COc1ccccc1[C@H](C)NC(=O)c1ccc(-c2ccccc2)nc1C ZINC000012791723 563671568 /nfs/dbraw/zinc/67/15/68/563671568.db2.gz GNDIZDICYMLMMQ-HNNXBMFYSA-N 0 0 346.430 4.557 50 0 EJAARN Cc1sc(-c2ccco2)nc1-c1ccc(NC(=O)C(C)C)cc1 ZINC000012794446 563672275 /nfs/dbraw/zinc/67/22/75/563672275.db2.gz GJEOPYBTNYNLIW-UHFFFAOYSA-N 0 0 326.421 4.973 50 0 EJAARN CCC[C@@H](C)NC(=O)c1cccnc1Sc1ccc(Cl)cc1 ZINC000012798712 563673458 /nfs/dbraw/zinc/67/34/58/563673458.db2.gz NTPZYWJSHNVUGK-GFCCVEGCSA-N 0 0 334.872 4.805 50 0 EJAARN C[C@H]1CCCCN1C(=O)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC000012846413 563675565 /nfs/dbraw/zinc/67/55/65/563675565.db2.gz GEUCYEGKZWPFIO-JTQLQIEISA-N 0 0 339.222 4.663 50 0 EJAARN Cc1ccc(C(=O)Nc2ccccc2F)cc1NC(=O)c1ccccc1 ZINC000012866093 563675884 /nfs/dbraw/zinc/67/58/84/563675884.db2.gz FNCORADQHDXXNO-UHFFFAOYSA-N 0 0 348.377 4.639 50 0 EJAARN Cc1cc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c(C)o1 ZINC000012972499 563679598 /nfs/dbraw/zinc/67/95/98/563679598.db2.gz FFEMNIJLJLTCHW-UHFFFAOYSA-N 0 0 334.347 4.550 50 0 EJAARN Cc1nc(-c2ccsc2)sc1C(=O)N[C@H](C)c1ccccc1 ZINC000012977321 563680547 /nfs/dbraw/zinc/68/05/47/563680547.db2.gz UFSMXCYBKSTGLA-LLVKDONJSA-N 0 0 328.462 4.671 50 0 EJAARN O=C(Cc1ccc2ccccc2c1)NCc1ccc(C(F)(F)F)cc1 ZINC000012987420 563682315 /nfs/dbraw/zinc/68/23/15/563682315.db2.gz QLFSSLILQUXIBD-UHFFFAOYSA-N 0 0 343.348 4.718 50 0 EJAARN Cc1cc(C(=O)Nc2ccc(Cl)cc2)c(C)n1Cc1ccco1 ZINC000012993895 563683056 /nfs/dbraw/zinc/68/30/56/563683056.db2.gz OGKMIWCFWVOANT-UHFFFAOYSA-N 0 0 328.799 4.652 50 0 EJAARN Cc1ccc(CNC(=O)CCc2ccc(-c3ccccc3)o2)cc1F ZINC000012995624 563683414 /nfs/dbraw/zinc/68/34/14/563683414.db2.gz OULMFAZQUUDRKY-UHFFFAOYSA-N 0 0 337.394 4.643 50 0 EJAARN CN(Cc1ccc(C(C)(C)C)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000013097236 563687604 /nfs/dbraw/zinc/68/76/04/563687604.db2.gz RAWZHTPGJZGTDW-UHFFFAOYSA-N 0 0 329.871 4.839 50 0 EJAARN CC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 ZINC000013130635 563689863 /nfs/dbraw/zinc/68/98/63/563689863.db2.gz AJAHXBHUQRMZKI-KOXHDTIKSA-N 0 0 330.431 4.830 50 0 EJAARN Oc1cccc2ccc(/C=C/c3cccc(Br)c3)nc12 ZINC000013135320 563690629 /nfs/dbraw/zinc/69/06/29/563690629.db2.gz PKPRWIPBBDUZPA-VQHVLOKHSA-N 0 0 326.193 4.873 50 0 EJAARN O=C(Cc1ccccc1F)Nc1ccc(Cl)cc1C(F)(F)F ZINC000013325795 563694935 /nfs/dbraw/zinc/69/49/35/563694935.db2.gz WQWSQPZWWXEQRV-UHFFFAOYSA-N 0 0 331.696 4.679 50 0 EJAARN CCCCc1ccc(NC(=S)NCc2cccc(OC)c2)cc1 ZINC000013497598 563699804 /nfs/dbraw/zinc/69/98/04/563699804.db2.gz PVRMECHXTNURKJ-UHFFFAOYSA-N 0 0 328.481 4.524 50 0 EJAARN C[C@H](Nc1ccc2nnc(-c3ccccc3Cl)n2n1)c1ccccc1 ZINC000013628933 563704840 /nfs/dbraw/zinc/70/48/40/563704840.db2.gz HJJJWKKYPPHFMI-ZDUSSCGKSA-N 0 0 349.825 4.618 50 0 EJAARN Cc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccncc4)=NN32)cc1 ZINC000013653960 563707054 /nfs/dbraw/zinc/70/70/54/563707054.db2.gz QMCSZZALGFYYNJ-IFMALSPDSA-N 0 0 341.414 4.632 50 0 EJAARN CCSc1ccccc1C(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000032722385 563707463 /nfs/dbraw/zinc/70/74/63/563707463.db2.gz SKNJACWXECFWNC-UHFFFAOYSA-N 0 0 343.448 4.616 50 0 EJAARN CCN(C(=S)Nc1ccc(OC(F)F)cc1)C1CCCCC1 ZINC000013683936 563710833 /nfs/dbraw/zinc/71/08/33/563710833.db2.gz CMCHQEWVBRLPGJ-UHFFFAOYSA-N 0 0 328.428 4.639 50 0 EJAARN COc1ccc(CC(=O)N(Cc2ccccc2)c2ccc(C)cc2)cc1 ZINC000032731079 563712960 /nfs/dbraw/zinc/71/29/60/563712960.db2.gz RJXCQWZVRMCWRD-UHFFFAOYSA-N 0 0 345.442 4.780 50 0 EJAARN Cc1cnc(NC(=O)c2sc(-c3ccccc3Cl)nc2C)s1 ZINC000013722571 563717180 /nfs/dbraw/zinc/71/71/80/563717180.db2.gz UPVWEVYHNVJAGY-UHFFFAOYSA-N 0 0 349.868 4.789 50 0 EJAARN Cc1ccc(CN(C)C(=O)c2csc(-c3ccccc3)n2)c(C)c1 ZINC000032740875 563721749 /nfs/dbraw/zinc/72/17/49/563721749.db2.gz TVQSMDNJUOJOMZ-UHFFFAOYSA-N 0 0 336.460 4.699 50 0 EJAARN CN(Cc1ccsc1)C(=O)c1cccnc1Sc1ccccc1 ZINC000032741278 563721849 /nfs/dbraw/zinc/72/18/49/563721849.db2.gz MYTFFGUGFGDNAK-UHFFFAOYSA-N 0 0 340.473 4.567 50 0 EJAARN Cc1cc(C(=O)Nc2ccc(Br)cc2C)c(C)n1C1CC1 ZINC000032738190 563722905 /nfs/dbraw/zinc/72/29/05/563722905.db2.gz MECVYIKDCFVFKG-UHFFFAOYSA-N 0 0 347.256 4.763 50 0 EJAARN Cc1ccc2nc(CN(C)Cc3cccc(Cl)c3Cl)cn2c1 ZINC000032751408 563724387 /nfs/dbraw/zinc/72/43/87/563724387.db2.gz IURKYQQNLLLUMU-UHFFFAOYSA-N 0 0 334.250 4.582 50 0 EJAARN CCOc1cccc2cc([C@H](C)NC(=O)Nc3ccccc3F)oc21 ZINC000032751226 563724414 /nfs/dbraw/zinc/72/44/14/563724414.db2.gz AQHVJODKHPLBFW-LBPRGKRZSA-N 0 0 342.370 4.853 50 0 EJAARN CCCc1ccc([C@@H](NC(=O)c2cccnc2)c2cccs2)cc1 ZINC000032745049 563725198 /nfs/dbraw/zinc/72/51/98/563725198.db2.gz IGGJHWKLALKRKB-LJQANCHMSA-N 0 0 336.460 4.615 50 0 EJAARN Clc1ccc2c(c1)-c1c(cnc3cc(-c4ccccc4)nn31)CO2 ZINC000013828450 563725661 /nfs/dbraw/zinc/72/56/61/563725661.db2.gz CTEJLUNYQPLKNX-UHFFFAOYSA-N 0 0 333.778 4.609 50 0 EJAARN Cc1cccc(C)c1Oc1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000013855874 563726900 /nfs/dbraw/zinc/72/69/00/563726900.db2.gz IPUZYYXWEIVKTB-KDURUIRLSA-N 0 0 347.414 4.551 50 0 EJAARN CC(C)c1noc([C@H](C)Sc2ncc(-c3ccc(F)cc3)o2)n1 ZINC000032761084 563728331 /nfs/dbraw/zinc/72/83/31/563728331.db2.gz HFARWGOKQGFQAH-JTQLQIEISA-N 0 0 333.388 4.840 50 0 EJAARN Cc1ccc(C)c(-c2nnc(NC(=O)c3cccc4ccccc43)o2)c1 ZINC000004479506 563729607 /nfs/dbraw/zinc/72/96/07/563729607.db2.gz QHEYDAUAOGOBCR-UHFFFAOYSA-N 0 0 343.386 4.759 50 0 EJAARN CC(=O)c1ccc(C(=O)Nc2ccccc2Cc2ccccc2)s1 ZINC000032768121 563729627 /nfs/dbraw/zinc/72/96/27/563729627.db2.gz PMGVHLXQYLPNPB-UHFFFAOYSA-N 0 0 335.428 4.794 50 0 EJAARN CCc1ccc([C@@H](C)NC(=S)Nc2cc(C)ccc2OC)cc1 ZINC000013931070 563730368 /nfs/dbraw/zinc/73/03/68/563730368.db2.gz DCHSVQBSGAJFAO-CQSZACIVSA-N 0 0 328.481 4.614 50 0 EJAARN Cc1c(Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cnn1C ZINC000013961039 563733201 /nfs/dbraw/zinc/73/32/01/563733201.db2.gz BNAFECJKLGPZSC-UHFFFAOYSA-N 0 0 339.251 4.902 50 0 EJAARN Cc1ccc(SCCC(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 ZINC000004496509 563734538 /nfs/dbraw/zinc/73/45/38/563734538.db2.gz AUUYNRQEPLFOAP-ZDUSSCGKSA-N 0 0 346.521 4.697 50 0 EJAARN CCOc1cc(OCC)cc(C(=O)Nc2ccc3ccccc3c2)c1 ZINC000004503085 563737287 /nfs/dbraw/zinc/73/72/87/563737287.db2.gz YGOAHDPGXOZCQN-UHFFFAOYSA-N 0 0 335.403 4.890 50 0 EJAARN COc1ccc(-n2c(COc3ccccc3F)nc3ccccc32)cc1 ZINC000014070557 563737670 /nfs/dbraw/zinc/73/76/70/563737670.db2.gz SFWWJIHNLZULBV-UHFFFAOYSA-N 0 0 348.377 4.752 50 0 EJAARN O=C(c1ccc2ncsc2c1)N1CCSc2ccc(Cl)cc21 ZINC000032802007 563738751 /nfs/dbraw/zinc/73/87/51/563738751.db2.gz SQUJWEVXFVRYBI-UHFFFAOYSA-N 0 0 346.864 4.702 50 0 EJAARN CCn1c(Cc2ccccc2)nnc1SCc1cccc(Cl)c1 ZINC000014091393 563738756 /nfs/dbraw/zinc/73/87/56/563738756.db2.gz JDDLUNNRSTUVSG-UHFFFAOYSA-N 0 0 343.883 4.835 50 0 EJAARN CN(C(=O)c1ccc(C2SCCCS2)cc1)c1ccccc1 ZINC000014118455 563742869 /nfs/dbraw/zinc/74/28/69/563742869.db2.gz GWTZWVGERHWKGG-UHFFFAOYSA-N 0 0 329.490 4.832 50 0 EJAARN Cc1ccc(C(=O)CCC(=O)Nc2cccc(C(F)(F)F)c2)s1 ZINC000014125769 563743144 /nfs/dbraw/zinc/74/31/44/563743144.db2.gz DDIAHNSAMIXFBB-UHFFFAOYSA-N 0 0 341.354 4.677 50 0 EJAARN Cc1nc(-c2ccc(CNC(=O)Nc3ccccc3)s2)cs1 ZINC000014138762 563744403 /nfs/dbraw/zinc/74/44/03/563744403.db2.gz COWRLZKBASYYRP-UHFFFAOYSA-N 0 0 329.450 4.502 50 0 EJAARN Cc1c2cc(Cl)ccc2oc1C(=O)N[C@H]1CCOc2ccccc21 ZINC000014160396 563745889 /nfs/dbraw/zinc/74/58/89/563745889.db2.gz CZWDHOSPPTUFQM-HNNXBMFYSA-N 0 0 341.794 4.648 50 0 EJAARN CCOc1ncccc1C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000014473744 563760023 /nfs/dbraw/zinc/76/00/23/563760023.db2.gz NUCQCGCOXMMVDR-UHFFFAOYSA-N 0 0 326.440 4.979 50 0 EJAARN COCc1c2ccccc2oc1C(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000032841864 563760942 /nfs/dbraw/zinc/76/09/42/563760942.db2.gz GEAAQZBLDCTSAA-CYBMUJFWSA-N 0 0 341.382 4.552 50 0 EJAARN Cc1ccc(CNc2nc(C(F)(F)F)nc3ccccc32)cc1F ZINC000032853517 563762665 /nfs/dbraw/zinc/76/26/65/563762665.db2.gz AYEUSJRMRUJCHU-UHFFFAOYSA-N 0 0 335.304 4.708 50 0 EJAARN c1csc(-c2nc(COc3ccc(-c4nnco4)cc3)cs2)c1 ZINC000014675594 563762685 /nfs/dbraw/zinc/76/26/85/563762685.db2.gz SFEKJXFXOMOXNT-UHFFFAOYSA-N 0 0 341.417 4.501 50 0 EJAARN CC(C)n1ncc2cc(C(=O)O[C@H](C)c3ccccc3Cl)cnc21 ZINC000032866021 563765902 /nfs/dbraw/zinc/76/59/02/563765902.db2.gz HAUODKGITPPERX-GFCCVEGCSA-N 0 0 343.814 4.584 50 0 EJAARN O=C(Nc1c2ccccc2oc1C(=O)c1ccco1)c1ccccc1 ZINC000014863256 563765969 /nfs/dbraw/zinc/76/59/69/563765969.db2.gz FIIRYQDKORKOPR-UHFFFAOYSA-N 0 0 331.327 4.509 50 0 EJAARN CCOc1ccccc1NC(=O)c1ccccc1C(=O)c1ccccc1 ZINC000014903338 563766798 /nfs/dbraw/zinc/76/67/98/563766798.db2.gz JFZMSCBWMVXGDX-UHFFFAOYSA-N 0 0 345.398 4.569 50 0 EJAARN O=C(CCCc1nc2ccccc2s1)Nc1cc(F)ccc1F ZINC000015005573 563771547 /nfs/dbraw/zinc/77/15/47/563771547.db2.gz CXMVIHSPGCWPAG-UHFFFAOYSA-N 0 0 332.375 4.536 50 0 EJAARN COc1ccc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000015010875 563771865 /nfs/dbraw/zinc/77/18/65/563771865.db2.gz BDMYSVRGRPSSRY-DHDCSXOGSA-N 0 0 345.807 4.590 50 0 EJAARN CCc1ccc(/C=C2\C(=O)Nc3ccc(Br)cc32)cc1 ZINC000015016069 563772412 /nfs/dbraw/zinc/77/24/12/563772412.db2.gz YZPWIGJYQUJUES-DHDCSXOGSA-N 0 0 328.209 4.504 50 0 EJAARN CN1c2ccccc2[C@@H](Cc2ccc(-c3ccccc3Cl)o2)C1=O ZINC000015017483 563772959 /nfs/dbraw/zinc/77/29/59/563772959.db2.gz JBQUGPCERAZCBL-MRXNPFEDSA-N 0 0 337.806 4.903 50 0 EJAARN O=C(CCCc1nc2ccccc2s1)NC1CCCCCCC1 ZINC000015080986 563776857 /nfs/dbraw/zinc/77/68/57/563776857.db2.gz ZNVNBAMZPBHQEV-UHFFFAOYSA-N 0 0 330.497 4.848 50 0 EJAARN O=C1C[C@H](c2nc3cc(Cl)ccc3o2)CN1c1ccc(Cl)cc1 ZINC000015081930 563777200 /nfs/dbraw/zinc/77/72/00/563777200.db2.gz DAZSOGYYQCRDGQ-JTQLQIEISA-N 0 0 347.201 4.655 50 0 EJAARN Cc1ccc(C(=O)N[C@H](c2cc3ccccc3o2)c2ccccc2)cn1 ZINC000032895970 563781135 /nfs/dbraw/zinc/78/11/35/563781135.db2.gz CGXJHWLKKTYBHA-NRFANRHFSA-N 0 0 342.398 4.656 50 0 EJAARN ClC1(Cl)C[C@@H]1CSc1nnc(-c2c[nH]c3ccccc32)o1 ZINC000015355192 563783465 /nfs/dbraw/zinc/78/34/65/563783465.db2.gz OARDMZDQRLZWPG-MRVPVSSYSA-N 0 0 340.235 4.504 50 0 EJAARN COc1ccc(Cl)cc1NC(=O)CCc1nc2ccccc2s1 ZINC000015419460 563784151 /nfs/dbraw/zinc/78/41/51/563784151.db2.gz PZWGQVAUSBVYGS-UHFFFAOYSA-N 0 0 346.839 4.530 50 0 EJAARN CCc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000015540496 563786514 /nfs/dbraw/zinc/78/65/14/563786514.db2.gz DTEOKBVSSIXPRW-QGZVFWFLSA-N 0 0 336.460 4.836 50 0 EJAARN Cc1nc(-c2ccccc2)c(C(=O)N2CCCc3ccccc32)s1 ZINC000015576738 563787614 /nfs/dbraw/zinc/78/76/14/563787614.db2.gz FXUGWNMAKMWFMT-UHFFFAOYSA-N 0 0 334.444 4.712 50 0 EJAARN CCOc1ccc(OC(=O)c2ccccc2C(=O)c2ccccc2)cc1 ZINC000032902130 563788802 /nfs/dbraw/zinc/78/88/02/563788802.db2.gz HBRKVRUITUMUPW-UHFFFAOYSA-N 0 0 346.382 4.536 50 0 EJAARN O=C(/C=C\c1ccccc1)Nc1cccc(-c2nc3ncccc3o2)c1 ZINC000015659827 563789984 /nfs/dbraw/zinc/78/99/84/563789984.db2.gz WVGKCDCZXFAJHV-QXMHVHEDSA-N 0 0 341.370 4.542 50 0 EJAARN Cc1ccc(-c2nc(CNC(=O)c3cccc(Cl)c3)cs2)cc1 ZINC000015832579 563793689 /nfs/dbraw/zinc/79/36/89/563793689.db2.gz SWRBRUJOOXCKRI-UHFFFAOYSA-N 0 0 342.851 4.702 50 0 EJAARN Cc1c2cc(C)ccc2oc1C(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000015833257 563793724 /nfs/dbraw/zinc/79/37/24/563793724.db2.gz JLVYXOMMMOHPQC-LLVKDONJSA-N 0 0 340.448 4.883 50 0 EJAARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc2cccnc21 ZINC000015835424 563794063 /nfs/dbraw/zinc/79/40/63/563794063.db2.gz JMKTVRFICOBNBU-OAHLLOKOSA-N 0 0 348.446 4.938 50 0 EJAARN C[C@H]1CNc2ccccc2N(Cc2c(Cl)cccc2Cl)C1=O ZINC000015838246 563794310 /nfs/dbraw/zinc/79/43/10/563794310.db2.gz OMRUPCSNIIFGLJ-NSHDSACASA-N 0 0 335.234 4.588 50 0 EJAARN C[C@H]1CC(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc2N1 ZINC000015838250 563794476 /nfs/dbraw/zinc/79/44/76/563794476.db2.gz NXWQQGJLYSJOLI-NSHDSACASA-N 0 0 335.234 4.731 50 0 EJAARN Cc1ccc(C(=O)N[C@H](c2cccnc2)c2cc(C)ccc2C)cc1 ZINC000015839821 563795080 /nfs/dbraw/zinc/79/50/80/563795080.db2.gz LOSVBFIMSIGUTO-OAQYLSRUSA-N 0 0 330.431 4.526 50 0 EJAARN CCCCOc1ccc(NC(=O)Cc2ccccc2)c2cccnc12 ZINC000015841172 563795719 /nfs/dbraw/zinc/79/57/19/563795719.db2.gz LBAPHTQBHPGIHF-UHFFFAOYSA-N 0 0 334.419 4.595 50 0 EJAARN CC(C)c1cc(O)c(-c2ccccc2)c(=O)n1-c1ccc(Cl)cc1 ZINC000015924325 563800065 /nfs/dbraw/zinc/80/00/65/563800065.db2.gz MGROXOQFKIDJDU-UHFFFAOYSA-N 0 0 339.822 4.987 50 0 EJAARN COc1cc(SC)ccc1C(=O)N[C@H](C)c1ccccc1Cl ZINC000016017727 563802139 /nfs/dbraw/zinc/80/21/39/563802139.db2.gz LFPIINPKOZHLEB-LLVKDONJSA-N 0 0 335.856 4.562 50 0 EJAARN O=C(Nc1nc(-c2ccccc2)cs1)c1ccccc1OC(F)F ZINC000016026394 563802385 /nfs/dbraw/zinc/80/23/85/563802385.db2.gz SXQXNIDJQCEBOA-UHFFFAOYSA-N 0 0 346.358 4.664 50 0 EJAARN FC(F)(F)c1cccc(NC(=S)NCCC2=CCCCC2)c1 ZINC000016155660 563804890 /nfs/dbraw/zinc/80/48/90/563804890.db2.gz SFRGSEPDRARLKV-UHFFFAOYSA-N 0 0 328.403 4.882 50 0 EJAARN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cccnc3)o2)cc1Cl ZINC000016346832 563809454 /nfs/dbraw/zinc/80/94/54/563809454.db2.gz DXHXLPHEBICLQN-VQHVLOKHSA-N 0 0 338.794 4.955 50 0 EJAARN Cc1nc(-c2cccnc2)sc1C(=O)Nc1c(C)cc(C)cc1C ZINC000016624408 563817783 /nfs/dbraw/zinc/81/77/83/563817783.db2.gz YJXQHKSPCLKCAH-UHFFFAOYSA-N 0 0 337.448 4.691 50 0 EJAARN CC(=O)c1ccc(NC(=S)N[C@H](C)c2ccc(C)c(C)c2)cc1 ZINC000017066830 563831154 /nfs/dbraw/zinc/83/11/54/563831154.db2.gz IQBWAQFDNYMEAA-CQSZACIVSA-N 0 0 326.465 4.554 50 0 EJAARN Cc1cnc(NC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)s1 ZINC000017070545 563832740 /nfs/dbraw/zinc/83/27/40/563832740.db2.gz LQYGUEXGYJGEOU-GFCCVEGCSA-N 0 0 334.510 4.916 50 0 EJAARN CCOc1ccc(NC(=S)Nc2cc(C(C)(C)C)ccc2O)cc1 ZINC000017071907 563835318 /nfs/dbraw/zinc/83/53/18/563835318.db2.gz ZZVPROISVKWWSG-UHFFFAOYSA-N 0 0 344.480 4.897 50 0 EJAARN CC(C)c1ccc(NC(=O)NCc2cccc(Br)c2)cc1 ZINC000017072212 563835744 /nfs/dbraw/zinc/83/57/44/563835744.db2.gz VSGCFJJBHMCDRD-UHFFFAOYSA-N 0 0 347.256 4.894 50 0 EJAARN CCOC(=O)Cn1nc(-c2ccc(C)cc2)c(C)c1-c1ccc(C)cc1 ZINC000017072416 563836081 /nfs/dbraw/zinc/83/60/81/563836081.db2.gz NPBTZLAFJAERBK-UHFFFAOYSA-N 0 0 348.446 4.705 50 0 EJAARN Cc1ccc(N(C(=O)Nc2ccccc2)C2=NCCC2)cc1Cl ZINC000017120486 563837248 /nfs/dbraw/zinc/83/72/48/563837248.db2.gz WIPYFUVVALJQDR-UHFFFAOYSA-N 0 0 327.815 4.879 50 0 EJAARN Cc1ccc(NC(=O)Nc2nnc(CC3=CCCCC3)s2)cc1 ZINC000017163007 563839050 /nfs/dbraw/zinc/83/90/50/563839050.db2.gz OJPASYDNWBPGOH-UHFFFAOYSA-N 0 0 328.441 4.533 50 0 EJAARN O=C(NC1CCCCC1)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000017173094 563839538 /nfs/dbraw/zinc/83/95/38/563839538.db2.gz QSTAQKHMRCJSHJ-UHFFFAOYSA-N 0 0 341.838 4.634 50 0 EJAARN O=C(Oc1ccccc1/C=C1/Sc2ccccc2C1=O)c1ccco1 ZINC000000303223 563839728 /nfs/dbraw/zinc/83/97/28/563839728.db2.gz GYWGTURAIFZCGC-LDADJPATSA-N 0 0 348.379 4.828 50 0 EJAARN Cc1cnc(N2C(=O)CS[C@@H]2c2ccc(Cl)cc2Cl)s1 ZINC000017198073 563840238 /nfs/dbraw/zinc/84/02/38/563840238.db2.gz UMWJTWJRCXHRSD-GFCCVEGCSA-N 0 0 345.276 4.537 50 0 EJAARN FC(F)(F)c1ccc2nnc(S[C@H]3CCCc4ccccc43)n2c1 ZINC000032931650 563842014 /nfs/dbraw/zinc/84/20/14/563842014.db2.gz JGFWMLDESYCQCP-AWEZNQCLSA-N 0 0 349.381 4.918 50 0 EJAARN C[C@H](NC(=O)c1ccc(F)cc1Cl)c1cccc(OC(F)F)c1 ZINC000032931088 563842250 /nfs/dbraw/zinc/84/22/50/563842250.db2.gz XZXKVRUQZQKYAI-VIFPVBQESA-N 0 0 343.732 4.572 50 0 EJAARN O=C1SC(SCc2ccccc2Cl)=N/C1=C/c1ccco1 ZINC000000365886 563843084 /nfs/dbraw/zinc/84/30/84/563843084.db2.gz WQZVBSJYPYUDEP-MDWZMJQESA-N 0 0 335.837 4.837 50 0 EJAARN O=c1[nH]c(SCc2c(Cl)cccc2Cl)nc2ccccc12 ZINC000018083194 563848156 /nfs/dbraw/zinc/84/81/56/563848156.db2.gz BSQBPNNVNUWWKY-UHFFFAOYSA-N 0 0 337.231 4.522 50 0 EJAARN Cc1cccc(Nc2ncc3c(n2)C[C@@H](c2ccc(F)cc2)CC3=O)c1 ZINC000018113807 563848661 /nfs/dbraw/zinc/84/86/61/563848661.db2.gz MSGJVDPESRHFEJ-OAHLLOKOSA-N 0 0 347.393 4.580 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Cc1ccccc1C(=O)N(Cc1ccccc1Cl)c1ccccn1 ZINC000028290846 563902206 /nfs/dbraw/zinc/90/22/06/563902206.db2.gz SDDVWEFQKVBEFA-UHFFFAOYSA-N 0 0 336.822 4.890 50 0 EJAARN CC(=O)NCc1ccc(-c2nc(-c3sccc3C)sc2C)s1 ZINC000028334303 563902515 /nfs/dbraw/zinc/90/25/15/563902515.db2.gz PWFSXZNWZCPUIO-UHFFFAOYSA-N 0 0 348.518 4.853 50 0 EJAARN COc1cc(C(=O)Nc2ccccc2SC)ccc1OCC(C)C ZINC000032958652 563903931 /nfs/dbraw/zinc/90/39/31/563903931.db2.gz YMJKBTJAHKYTQM-UHFFFAOYSA-N 0 0 345.464 4.704 50 0 EJAARN Cc1nc(-c2ccc(NC(=O)CCc3c[nH]c4ccccc34)cc2)co1 ZINC000029209344 563905221 /nfs/dbraw/zinc/90/52/21/563905221.db2.gz DDLJCKZBAVZWCJ-UHFFFAOYSA-N 0 0 345.402 4.703 50 0 EJAARN Cc1nc2ccccc2nc1S[C@H](C)C(=O)c1c[nH]c2ccccc21 ZINC000029282954 563905358 /nfs/dbraw/zinc/90/53/58/563905358.db2.gz RNAAMWVZTYNFDK-CYBMUJFWSA-N 0 0 347.443 4.783 50 0 EJAARN CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(C(C)=O)s1 ZINC000029761184 563908418 /nfs/dbraw/zinc/90/84/18/563908418.db2.gz ZMTKUFPLXNBFBG-UHFFFAOYSA-N 0 0 335.856 4.981 50 0 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/nfs/dbraw/zinc/91/77/97/563917797.db2.gz UTVJTJHLSIDAQP-ZDUSSCGKSA-N 0 0 342.445 4.703 50 0 EJAARN O=C(OCc1ccc(-c2cnc3ccccc3n2)cc1)c1cccs1 ZINC000001077785 563917815 /nfs/dbraw/zinc/91/78/15/563917815.db2.gz DLYMSSMIUBYRQC-UHFFFAOYSA-N 0 0 346.411 4.715 50 0 EJAARN Cc1sc(NC(=O)c2cccc(F)c2)nc1-c1ccc(F)cc1 ZINC000002827546 563918014 /nfs/dbraw/zinc/91/80/14/563918014.db2.gz VXJZSXPWFYHNBI-UHFFFAOYSA-N 0 0 330.359 4.649 50 0 EJAARN Cc1cc(NC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)no1 ZINC000002875954 563918683 /nfs/dbraw/zinc/91/86/83/563918683.db2.gz SPBHKUOUARXCPQ-UHFFFAOYSA-N 0 0 336.269 4.514 50 0 EJAARN CCCCSC[C@H](COC(C)C)OC(=O)c1ccc(Cl)cc1 ZINC000002977917 563918816 /nfs/dbraw/zinc/91/88/16/563918816.db2.gz VRMGWWHCHOPVHS-INIZCTEOSA-N 0 0 344.904 4.824 50 0 EJAARN O=C(c1ccc(Br)s1)N1CCC[C@@H]1c1cccs1 ZINC000032988705 563920878 /nfs/dbraw/zinc/92/08/78/563920878.db2.gz AWHVHIIBZLKIEP-SECBINFHSA-N 0 0 342.283 4.549 50 0 EJAARN C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1nc(-c2ccccc2)no1 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O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1cc2ccccc2o1 ZINC000057986094 563936167 /nfs/dbraw/zinc/93/61/67/563936167.db2.gz ORRAHPDMLBBHQD-UHFFFAOYSA-N 0 0 335.388 4.533 50 0 EJAARN C[C@H](SC1=NCCS1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000058065334 563937181 /nfs/dbraw/zinc/93/71/81/563937181.db2.gz PENNGRMJUXXHMQ-ZDUSSCGKSA-N 0 0 342.489 4.836 50 0 EJAARN Cc1sc(-c2cccc(C(N)=O)c2)nc1-c1ccc(Cl)cc1 ZINC000058158100 563938093 /nfs/dbraw/zinc/93/80/93/563938093.db2.gz ZMCYBEFRPZRHGY-UHFFFAOYSA-N 0 0 328.824 4.538 50 0 EJAARN CCCCc1nc(C)c(C(=O)Nc2cccc(N(C)CC)c2)s1 ZINC000058166892 563938737 /nfs/dbraw/zinc/93/87/37/563938737.db2.gz BDBXWKLAFPJZJP-UHFFFAOYSA-N 0 0 331.485 4.503 50 0 EJAARN Cc1ccc(NC(=O)NCCc2csc(C(C)C)n2)c(Cl)c1 ZINC000058305161 563942065 /nfs/dbraw/zinc/94/20/65/563942065.db2.gz ITWDVUGLWDYYRD-UHFFFAOYSA-N 0 0 337.876 4.593 50 0 EJAARN CCn1c2ccccc2c2cc(NC(=O)Nc3cc(C)nn3C)ccc21 ZINC000058345514 563943274 /nfs/dbraw/zinc/94/32/74/563943274.db2.gz MYFMBFJQKAEXMA-UHFFFAOYSA-N 0 0 347.422 4.500 50 0 EJAARN Fc1cccc(Cl)c1CN(c1ncnc2ccsc21)C1CC1 ZINC000058381573 563944430 /nfs/dbraw/zinc/94/44/30/563944430.db2.gz MTSQJEJBMUFVQN-UHFFFAOYSA-N 0 0 333.819 4.653 50 0 EJAARN CC[C@@H](NC(=O)[C@H](C)c1c(C)noc1C)C12CC3CC(CC(C3)C1)C2 ZINC000058419532 563945692 /nfs/dbraw/zinc/94/56/92/563945692.db2.gz SOMGHNAOCKBOGS-GCBATEGVSA-N 0 0 344.499 4.506 50 0 EJAARN COc1ccc(CN(C)Cn2c3ccccc3sc2=S)cc1 ZINC000058445896 563946581 /nfs/dbraw/zinc/94/65/81/563946581.db2.gz XTMXMUAXTOCHSF-UHFFFAOYSA-N 0 0 330.478 4.530 50 0 EJAARN O=C(N[C@H](c1ccccc1)C1CC1)N(Cc1ccc(F)cc1)C1CC1 ZINC000058467232 563946593 /nfs/dbraw/zinc/94/65/93/563946593.db2.gz JIZHAHFNLDHPLR-HXUWFJFHSA-N 0 0 338.426 4.651 50 0 EJAARN COc1ccc(CN(C(=O)c2ccccc2Cl)[C@@H](C)C2CC2)cc1 ZINC000058642507 563947083 /nfs/dbraw/zinc/94/70/83/563947083.db2.gz PXFLQJFFOYMHAS-AWEZNQCLSA-N 0 0 343.854 4.790 50 0 EJAARN CCCc1noc([C@@H](C)OC(=O)c2ccc3c(c2)Cc2ccccc2-3)n1 ZINC000058695833 563947157 /nfs/dbraw/zinc/94/71/57/563947157.db2.gz 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/nfs/dbraw/zinc/95/76/88/563957688.db2.gz JBDOCVYZZPFJIE-SFHVURJKSA-N 0 0 327.428 4.613 50 0 EJAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2cc(C(C)C)no2)cc1C ZINC000064985021 563957866 /nfs/dbraw/zinc/95/78/66/563957866.db2.gz XRKLJKUPPSSVIF-KRWDZBQOSA-N 0 0 327.428 4.784 50 0 EJAARN CC(=O)N[C@@H]1C[C@H](C(C)C)O[C@H](c2sc3ccccc3c2C)C1 ZINC000065373108 563958677 /nfs/dbraw/zinc/95/86/77/563958677.db2.gz SKJJCPMMGHHANO-OIISXLGYSA-N 0 0 331.481 4.591 50 0 EJAARN CCn1cncc1Cn1cnc(-c2ccccc2)c1-c1ccc(F)cc1 ZINC000065384845 563959186 /nfs/dbraw/zinc/95/91/86/563959186.db2.gz CVALBLLZQGPUME-UHFFFAOYSA-N 0 0 346.409 4.621 50 0 EJAARN c1coc(-c2c(-c3ccccc3)ncn2CCCOc2cccnc2)c1 ZINC000065385791 563959275 /nfs/dbraw/zinc/95/92/75/563959275.db2.gz MVOBVYYYSVQSQV-UHFFFAOYSA-N 0 0 345.402 4.674 50 0 EJAARN Cc1c(-c2c(-c3ccccc3)ncn2[C@H](C)c2ccccc2)cnn1C ZINC000065398855 563959846 /nfs/dbraw/zinc/95/98/46/563959846.db2.gz CFWGBIHZIJHBAF-MRXNPFEDSA-N 0 0 342.446 4.868 50 0 EJAARN Cc1cc(-c2c(-c3ccccc3)ncn2Cc2cnc(C)cn2)oc1C ZINC000065404567 563959962 /nfs/dbraw/zinc/95/99/62/563959962.db2.gz RSDLKKKPYJEMSS-UHFFFAOYSA-N 0 0 344.418 4.574 50 0 EJAARN CC(=O)N[C@@H]1C[C@H](C(C)C)O[C@H](c2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000065403486 563960011 /nfs/dbraw/zinc/96/00/11/563960011.db2.gz LONMEPHAVCXQCX-PTUXOGIPSA-N 0 0 349.474 4.639 50 0 EJAARN Cc1cc(C)n(C[C@H](C)n2cnc(-c3ccccc3)c2-c2ccoc2)n1 ZINC000065409311 563960422 /nfs/dbraw/zinc/96/04/22/563960422.db2.gz HGUUFPDEPSKCIQ-KRWDZBQOSA-N 0 0 346.434 4.885 50 0 EJAARN Cc1nn(-c2ccccc2)c(Cl)c1-c1c(-c2ccccc2)ncn1C ZINC000065417549 563960612 /nfs/dbraw/zinc/96/06/12/563960612.db2.gz YFIBJRULSFRWBY-UHFFFAOYSA-N 0 0 348.837 4.902 50 0 EJAARN Cc1cc(Cn2cnc(-c3ccccc3)c2-c2cccc(C)c2)no1 ZINC000065463499 563961294 /nfs/dbraw/zinc/96/12/94/563961294.db2.gz JRICAWRPQVAIHE-UHFFFAOYSA-N 0 0 329.403 4.870 50 0 EJAARN CN(C(=O)OC(C)(C)C)c1cccc2c1CN(Cc1ccccc1)C2 ZINC000066055285 563962157 /nfs/dbraw/zinc/96/21/57/563962157.db2.gz 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/nfs/dbraw/zinc/96/37/23/563963723.db2.gz QKJVGQLFOJEJCF-UHFFFAOYSA-N 0 0 329.469 4.520 50 0 EJAARN COc1ccc2c(c1)[C@H](OC(C)=O)C(C)(C)[C@H](c1cccs1)N2 ZINC000000035078 563964187 /nfs/dbraw/zinc/96/41/87/563964187.db2.gz RXFUIFJLKCASDT-IRXDYDNUSA-N 0 0 331.437 4.554 50 0 EJAARN Clc1ccc([C@H](c2ccccc2)n2ccnc2-c2c[nH]cn2)cc1 ZINC000071721634 563964823 /nfs/dbraw/zinc/96/48/23/563964823.db2.gz NZXWXCUPHHNLFB-SFHVURJKSA-N 0 0 334.810 4.564 50 0 EJAARN O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1cccs1 ZINC000071763153 563965446 /nfs/dbraw/zinc/96/54/46/563965446.db2.gz ADKAIZBNNFWVTM-KRWDZBQOSA-N 0 0 343.835 4.736 50 0 EJAARN Cc1ccc([C@H](c2ccncc2)n2ccnc2-c2ccsc2)cc1 ZINC000071764412 563965466 /nfs/dbraw/zinc/96/54/66/563965466.db2.gz JSZUGEWVSMVBDA-LJQANCHMSA-N 0 0 331.444 4.953 50 0 EJAARN CC(C)c1ccc(NC(=O)c2ccc(-c3noc(C4CC4)n3)cc2)cc1 ZINC000033254310 563966031 /nfs/dbraw/zinc/96/60/31/563966031.db2.gz PMJBJRVNHKSAGR-UHFFFAOYSA-N 0 0 347.418 4.990 50 0 EJAARN CCCC(=O)Nc1ccc(CCc2nc3ccccc3n2CC)cc1 ZINC000033252626 563966076 /nfs/dbraw/zinc/96/60/76/563966076.db2.gz OWFRZIJXDHUGON-UHFFFAOYSA-N 0 0 335.451 4.580 50 0 EJAARN C[C@](O)(CNc1ccc2[nH]ccc2c1)c1cccc(C(F)(F)F)c1 ZINC000097001932 563966607 /nfs/dbraw/zinc/96/66/07/563966607.db2.gz OQKHAOKVVHXROQ-KRWDZBQOSA-N 0 0 334.341 4.506 50 0 EJAARN CC[C@@H](Nc1nc2cc(C(F)(F)F)ccc2s1)c1ncc[nH]1 ZINC000097104047 563967635 /nfs/dbraw/zinc/96/76/35/563967635.db2.gz KDDZLKXUASUVRZ-SECBINFHSA-N 0 0 326.347 4.601 50 0 EJAARN Cc1cc(O)ccc1-c1nc(-c2cccnc2Oc2ccccc2)no1 ZINC000097102682 563967739 /nfs/dbraw/zinc/96/77/39/563967739.db2.gz OSUUEOIDLQKQDA-UHFFFAOYSA-N 0 0 345.358 4.605 50 0 EJAARN Cn1cc(C(=O)N2CCCC[C@@H]2c2cccc(F)c2)c2ccccc21 ZINC000077452279 563969706 /nfs/dbraw/zinc/96/97/06/563969706.db2.gz WHUIVAOLGBGKEO-LJQANCHMSA-N 0 0 336.410 4.685 50 0 EJAARN Cc1ccc(F)c(C(=O)N2CC[C@@H](c3ccccc3F)C2)c1Cl ZINC000077518498 563970189 /nfs/dbraw/zinc/97/01/89/563970189.db2.gz WLKHNEJRFOPBSY-GFCCVEGCSA-N 0 0 335.781 4.556 50 0 EJAARN Cc1ccc2[nH]c([C@H]3CCCN3C(=O)c3coc4ccccc34)nc2c1 ZINC000077564235 563970328 /nfs/dbraw/zinc/97/03/28/563970328.db2.gz KTZZBRNMQKQKRA-GOSISDBHSA-N 0 0 345.402 4.595 50 0 EJAARN O=C(/C=C/c1ccccc1Cl)Nc1ccc(Br)cc1 ZINC000000064099 563971621 /nfs/dbraw/zinc/97/16/21/563971621.db2.gz IDCWBRAMHKOFMF-BJMVGYQFSA-N 0 0 336.616 4.754 50 0 EJAARN Cc1nc(NCC(C)(C)C)sc1-c1ccn(Cc2ccsc2)n1 ZINC000082039353 563971955 /nfs/dbraw/zinc/97/19/55/563971955.db2.gz OPGZLLRIOZDHSK-UHFFFAOYSA-N 0 0 346.525 4.883 50 0 EJAARN O=C(c1ccc2ncsc2c1)N1CCCCC[C@H]1c1ccco1 ZINC000082107048 563972290 /nfs/dbraw/zinc/97/22/90/563972290.db2.gz NRMNSDHKZLTAJP-HNNXBMFYSA-N 0 0 326.421 4.647 50 0 EJAARN CC(=O)c1ccc(C(=O)N2CCCC[C@@H]2CCc2cccs2)s1 ZINC000082121116 563972463 /nfs/dbraw/zinc/97/24/63/563972463.db2.gz KDRYNKVXMXYKNE-CQSZACIVSA-N 0 0 347.505 4.640 50 0 EJAARN O=C(/C=C\c1ccco1)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000033287945 563973008 /nfs/dbraw/zinc/97/30/08/563973008.db2.gz FZFLCOKJOXBKQN-FPLPWBNLSA-N 0 0 344.823 4.632 50 0 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50 0 EJAARN O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccccc1F ZINC000000070179 563974101 /nfs/dbraw/zinc/97/41/01/563974101.db2.gz ZUXYBFBWSLYMIY-UHFFFAOYSA-N 0 0 332.334 4.886 50 0 EJAARN O=C(Cc1cccc2ccccc21)NCc1ccc(-c2ccoc2)o1 ZINC000585148296 563974107 /nfs/dbraw/zinc/97/41/07/563974107.db2.gz XBUGKGCLJVDUEH-UHFFFAOYSA-N 0 0 331.371 4.552 50 0 EJAARN Cc1cccc(C(=O)N[C@@H](c2nc(-c3ccccc3)no2)C(C)(C)C)c1 ZINC000585152312 563974280 /nfs/dbraw/zinc/97/42/80/563974280.db2.gz NOQAOFJLCPKJLP-KRWDZBQOSA-N 0 0 349.434 4.562 50 0 EJAARN CCc1c(C)nc2sc(C(=O)c3ccc(Cl)cc3)c(N)c2c1C ZINC000000076218 563974506 /nfs/dbraw/zinc/97/45/06/563974506.db2.gz SZRWHALEIJCHFH-UHFFFAOYSA-N 0 0 344.867 4.942 50 0 EJAARN Cc1ccccc1Cc1nnc(NC(=O)CCC2CCCCC2)s1 ZINC000098086583 563974734 /nfs/dbraw/zinc/97/47/34/563974734.db2.gz HQGAIFRWPPHSBP-UHFFFAOYSA-N 0 0 343.496 4.736 50 0 EJAARN O=C(OCC1c2ccccc2-c2ccccc21)N(O)Cc1ccccc1 ZINC000090624871 563974969 /nfs/dbraw/zinc/97/49/69/563974969.db2.gz UPELSKFZKLZXAW-UHFFFAOYSA-N 0 0 345.398 4.827 50 0 EJAARN COc1ccc(C(=O)[C@H](C)Sc2nc3cc(C)c(C)cc3[nH]2)cc1 ZINC000000085620 563975386 /nfs/dbraw/zinc/97/53/86/563975386.db2.gz HBXSTCKGUJPOLE-ZDUSSCGKSA-N 0 0 340.448 4.552 50 0 EJAARN O=C(c1ccc2occc2c1)N1CCCC[C@@H]1CCc1cccc(O)c1 ZINC000091755410 563975707 /nfs/dbraw/zinc/97/57/07/563975707.db2.gz RFHABPLXANWHTC-LJQANCHMSA-N 0 0 349.430 4.766 50 0 EJAARN CCCc1nc(C(=O)N(Cc2ccco2)Cc2cccs2)cs1 ZINC000092081228 563976049 /nfs/dbraw/zinc/97/60/49/563976049.db2.gz QTEOBGYXEMLNTB-UHFFFAOYSA-N 0 0 346.477 4.593 50 0 EJAARN Cc1[nH]c2ccccc2c1[C@H]1C(C)=C(C)C(=O)N1Cc1ccccc1 ZINC000004814138 563976133 /nfs/dbraw/zinc/97/61/33/563976133.db2.gz WVIIRRIRDLUFTM-OAQYLSRUSA-N 0 0 330.431 4.896 50 0 EJAARN O=C(c1ccccc1Cl)n1c(Cc2ccccc2)nc2ccccc21 ZINC000000087747 563976285 /nfs/dbraw/zinc/97/62/85/563976285.db2.gz OCOQIQMCHOWZKO-UHFFFAOYSA-N 0 0 346.817 4.969 50 0 EJAARN Cc1cccc(/C=C(\C(=O)N2CCC[C@H](C)C2)c2cccs2)c1 ZINC000043926503 563976318 /nfs/dbraw/zinc/97/63/18/563976318.db2.gz 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/nfs/dbraw/zinc/97/96/78/563979678.db2.gz NDOLMVHWBAMUHL-UHFFFAOYSA-N 0 0 335.860 4.610 50 0 EJAARN CN(C)C(=O)c1ccccc1-c1cc(OC(F)(F)F)ccc1Cl ZINC000096151790 563979685 /nfs/dbraw/zinc/97/96/85/563979685.db2.gz MECDBVFRLRZCIL-UHFFFAOYSA-N 0 0 343.732 4.607 50 0 EJAARN CC[C@H](c1ccccn1)N(C)C(=O)c1[nH]c2ccc(Cl)cc2c1C ZINC000096180198 563980061 /nfs/dbraw/zinc/98/00/61/563980061.db2.gz KNHBPJISRQYMDR-QGZVFWFLSA-N 0 0 341.842 4.748 50 0 EJAARN Cc1ccc(-c2nn3c(nnc3-c3cc4ccccc4o3)s2)cc1 ZINC000096193778 563980105 /nfs/dbraw/zinc/98/01/05/563980105.db2.gz VWMOJMZMWNXEJG-UHFFFAOYSA-N 0 0 332.388 4.574 50 0 EJAARN CCCOc1ccccc1C(=O)Nc1ccc(Br)cc1C ZINC000096319260 563980735 /nfs/dbraw/zinc/98/07/35/563980735.db2.gz DGRJRSYZDJJBTO-UHFFFAOYSA-N 0 0 348.240 4.799 50 0 EJAARN Cc1cc2nc(N[C@@H](c3ncc(C)s3)C3CC3)c3ccccc3n2n1 ZINC000072301680 563981919 /nfs/dbraw/zinc/98/19/19/563981919.db2.gz CHGSVIJRGAEFGW-QGZVFWFLSA-N 0 0 349.463 4.519 50 0 EJAARN Cc1ccccc1NC(=O)N1CCn2cccc2[C@H]1c1ccccc1C ZINC000033415040 563984351 /nfs/dbraw/zinc/98/43/51/563984351.db2.gz UPWYDPKUHNEFFY-OAQYLSRUSA-N 0 0 345.446 4.742 50 0 EJAARN Cc1csc([C@@H]2CCCCN2C(=O)C[C@@H]2CCc3ccccc32)n1 ZINC000072285662 563986329 /nfs/dbraw/zinc/98/63/29/563986329.db2.gz HQTWPCIYSFRWBY-WMZOPIPTSA-N 0 0 340.492 4.625 50 0 EJAARN O=C1c2ccccc2N[C@@H](c2ccccn2)N1c1ccc(Cl)cc1 ZINC000000128712 563986955 /nfs/dbraw/zinc/98/69/55/563986955.db2.gz YLOCCTNZHHPWTC-GOSISDBHSA-N 0 0 335.794 4.506 50 0 EJAARN CC(=O)Nc1ccc(NC(=O)/C=C/c2c(Cl)cccc2Cl)cc1 ZINC000000147143 563987144 /nfs/dbraw/zinc/98/71/44/563987144.db2.gz DUQUOPADWGLGQK-MDZDMXLPSA-N 0 0 349.217 4.604 50 0 EJAARN COc1ccc(/C=C/C(=O)Nc2c(C)cccc2C(C)C)c(OC)c1 ZINC000000147270 563987167 /nfs/dbraw/zinc/98/71/67/563987167.db2.gz UMKMIWLNRYUEJJ-ZRDIBKRKSA-N 0 0 339.435 4.788 50 0 EJAARN CCOC(=O)c1nc2ccccc2c(Nc2cccc3ccccc32)n1 ZINC000000145889 563987215 /nfs/dbraw/zinc/98/72/15/563987215.db2.gz MAVORVJCDHQYPF-UHFFFAOYSA-N 0 0 343.386 4.703 50 0 EJAARN CCOC(=O)c1c(Cl)nnc(-c2ccccc2)c1-c1ccccc1 ZINC000000151099 563987243 /nfs/dbraw/zinc/98/72/43/563987243.db2.gz LFVRLXRBMMFAGL-UHFFFAOYSA-N 0 0 338.794 4.641 50 0 EJAARN CC1(C)CN=C(N(C(=O)Nc2ccccc2)c2ccc(F)cc2)S1 ZINC000000162093 563987500 /nfs/dbraw/zinc/98/75/00/563987500.db2.gz JXTQYQKHKKLUSL-UHFFFAOYSA-N 0 0 343.427 4.746 50 0 EJAARN O=C(/C=C/c1ccc(Cl)cc1)NCC1(c2ccccc2)CCCC1 ZINC000000169290 563987506 /nfs/dbraw/zinc/98/75/06/563987506.db2.gz DSIBRBAYKYJDOI-JLHYYAGUSA-N 0 0 339.866 4.981 50 0 EJAARN Cc1ccc(O[C@@]2(c3ccccc3)OC(=O)c3ccccc32)c(C)c1 ZINC000000174533 563987605 /nfs/dbraw/zinc/98/76/05/563987605.db2.gz IDKALQUUIVVTIN-QFIPXVFZSA-N 0 0 330.383 4.754 50 0 EJAARN COc1ccc(N2C(=O)CS[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000000180235 563987779 /nfs/dbraw/zinc/98/77/79/563987779.db2.gz VICKSPKUJFMVNX-IBGZPJMESA-N 0 0 327.449 4.597 50 0 EJAARN COc1ccc(N2C(=O)CS[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000000180236 563987789 /nfs/dbraw/zinc/98/77/89/563987789.db2.gz VICKSPKUJFMVNX-LJQANCHMSA-N 0 0 327.449 4.597 50 0 EJAARN Cc1ccc(-n2ncnc2-c2ccc(Br)cc2)cc1Cl ZINC000000180922 563987838 /nfs/dbraw/zinc/98/78/38/563987838.db2.gz LDNHOHAGDQXACZ-UHFFFAOYSA-N 0 0 348.631 4.659 50 0 EJAARN Cc1c(Cl)cccc1-n1ncnc1-c1cccc(Br)c1 ZINC000000180936 563987851 /nfs/dbraw/zinc/98/78/51/563987851.db2.gz LNORVNZSTNXEQQ-UHFFFAOYSA-N 0 0 348.631 4.659 50 0 EJAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cccnc1Cl ZINC000000188051 563987985 /nfs/dbraw/zinc/98/79/85/563987985.db2.gz UVQYWZDVFVICKV-UHFFFAOYSA-N 0 0 349.777 4.796 50 0 EJAARN Cc1nc2c(ccc3nc(NC(=O)c4ccc(C)cc4)sc32)s1 ZINC000000190190 563988068 /nfs/dbraw/zinc/98/80/68/563988068.db2.gz OUGAXMZNUZGVKT-UHFFFAOYSA-N 0 0 339.445 4.775 50 0 EJAARN CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)N1CCCC1 ZINC000000217499 563988695 /nfs/dbraw/zinc/98/86/95/563988695.db2.gz CHFULOFPKOYTMR-UHFFFAOYSA-N 0 0 330.431 4.700 50 0 EJAARN CCOc1ccc(-c2cc(C(=O)N[C@H](C)CC)c3ccccc3n2)cc1 ZINC000000217844 563988753 /nfs/dbraw/zinc/98/87/53/563988753.db2.gz NKDMEHQJBJFKBL-OAHLLOKOSA-N 0 0 348.446 4.829 50 0 EJAARN Cc1cc2c(ncnc2Nc2ccc(C)cc2Br)s1 ZINC000000224056 563988958 /nfs/dbraw/zinc/98/89/58/563988958.db2.gz WDILZBZMDDPEPX-UHFFFAOYSA-N 0 0 334.242 4.814 50 0 EJAARN S=C(Nc1cccc(Cl)c1)N1CCCC[C@@H]1c1cccnc1 ZINC000000240170 563989112 /nfs/dbraw/zinc/98/91/12/563989112.db2.gz XRFCUIFRWRWNSC-MRXNPFEDSA-N 0 0 331.872 4.659 50 0 biogenic EJAARN O=C(Nc1ccccc1)N[C@H](c1ccccc1)C(Cl)(Cl)Cl ZINC000000245779 563989230 /nfs/dbraw/zinc/98/92/30/563989230.db2.gz LMXUQKRTHMQZCB-CYBMUJFWSA-N 0 0 343.641 4.920 50 0 EJAARN Cc1ccc([C@H](C(=O)NC2CCCCC2)N2CCc3ccccc32)cc1 ZINC000000246351 563989400 /nfs/dbraw/zinc/98/94/00/563989400.db2.gz ZDCWHZFKPHUGGK-JOCHJYFZSA-N 0 0 348.490 4.548 50 0 EJAARN Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000000253741 563989706 /nfs/dbraw/zinc/98/97/06/563989706.db2.gz IZBPMQUARBBXBT-UHFFFAOYSA-N 0 0 344.625 4.973 50 0 EJAARN Cc1ccc(CN(Cc2cccnc2)C(=O)Nc2ccccc2)cc1 ZINC000000261772 563989711 /nfs/dbraw/zinc/98/97/11/563989711.db2.gz HYFQZQCSSUGJMI-UHFFFAOYSA-N 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TZQBMINEPXWUBX-UHFFFAOYSA-N 0 0 326.403 4.986 50 0 EJAARN COc1ccc([C@@H](C)NCc2csc(-c3ccsc3)n2)cc1F ZINC000050510225 563991299 /nfs/dbraw/zinc/99/12/99/563991299.db2.gz BIJMVYFVTJRERD-LLVKDONJSA-N 0 0 348.468 4.870 50 0 EJAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1SC(F)F ZINC000024038807 563991545 /nfs/dbraw/zinc/99/15/45/563991545.db2.gz NPCKSCRACSESEM-CQSZACIVSA-N 0 0 337.391 4.797 50 0 EJAARN CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1 ZINC000000371205 563991784 /nfs/dbraw/zinc/99/17/84/563991784.db2.gz JJGRXKCRMIXEAB-OAHLLOKOSA-N 0 0 339.435 4.593 50 0 EJAARN COc1cccc2cc(-c3nc(-c4ccccc4)c(C)s3)c(=O)oc21 ZINC000000377805 563991898 /nfs/dbraw/zinc/99/18/98/563991898.db2.gz YTEKUGIBKVVIIE-UHFFFAOYSA-N 0 0 349.411 4.901 50 0 EJAARN COc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1OC ZINC000004866667 563992151 /nfs/dbraw/zinc/99/21/51/563992151.db2.gz FHMIKYFLZULIKA-UHFFFAOYSA-N 0 0 347.370 4.856 50 0 EJAARN COc1ccc(NC=Cc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000100324252 563992199 /nfs/dbraw/zinc/99/21/99/563992199.db2.gz PPVRBMXVEITFNV-VOTSOKGWSA-N 0 0 328.721 4.845 50 0 EJAARN O=C(Nc1nccs1)N1CCC[C@H]1Cc1cccc2ccccc21 ZINC000060973395 563992232 /nfs/dbraw/zinc/99/22/32/563992232.db2.gz NOFXJURIKGCJLM-INIZCTEOSA-N 0 0 337.448 4.535 50 0 EJAARN Cc1ccnc(N2C(=O)c3ccccc3[C@@H]2Nc2cc(C)ccc2C)c1 ZINC000004900185 563992308 /nfs/dbraw/zinc/99/23/08/563992308.db2.gz OOWXGBOWTRIQDM-OAQYLSRUSA-N 0 0 343.430 4.778 50 0 EJAARN CCc1ccccc1N[C@H]1c2ccccc2C(=O)N1c1cc(C)ccn1 ZINC000004900207 563992325 /nfs/dbraw/zinc/99/23/25/563992325.db2.gz HADPDUHYLFHZAY-OAQYLSRUSA-N 0 0 343.430 4.724 50 0 EJAARN Cc1[nH]c2ccc(C)cc2c1CCNC(=S)Nc1cccc(C)c1 ZINC000004905229 563992381 /nfs/dbraw/zinc/99/23/81/563992381.db2.gz MUAAWDKEYCLHDB-UHFFFAOYSA-N 0 0 337.492 4.622 50 0 EJAARN Cc1ccc(N2C(=O)c3ccccc3[C@@H]2Nc2ccc(C)c(C)c2)nc1 ZINC000004917128 563992442 /nfs/dbraw/zinc/99/24/42/563992442.db2.gz UYBPDKGYFNDNOO-OAQYLSRUSA-N 0 0 343.430 4.778 50 0 EJAARN Fc1ccc(Nc2c(-c3ccc(Cl)cc3)nc3ncccn32)cc1 ZINC000004927496 563992595 /nfs/dbraw/zinc/99/25/95/563992595.db2.gz YNILUIQLTVWFSN-UHFFFAOYSA-N 0 0 338.773 4.932 50 0 EJAARN O=C1c2ccccc2[C@H](Nc2ccc(Cl)cc2)N1Cc1ccco1 ZINC000004991878 563993667 /nfs/dbraw/zinc/99/36/67/563993667.db2.gz ZHRPHVXQHQZIJY-GOSISDBHSA-N 0 0 338.794 4.700 50 0 EJAARN COc1ccc(Cl)c(NC(=O)c2csc(-c3ccc(C)o3)n2)c1 ZINC000121166010 563993983 /nfs/dbraw/zinc/99/39/83/563993983.db2.gz VFLOUYCJRJTFBQ-UHFFFAOYSA-N 0 0 348.811 4.626 50 0 EJAARN CCN(C(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccccc1 ZINC000005050794 563994095 /nfs/dbraw/zinc/99/40/95/563994095.db2.gz POUQHJSJJAXLKN-UHFFFAOYSA-N 0 0 335.428 4.974 50 0 EJAARN CC[C@H](Cc1ccccc1)NC(=O)c1csc2c1CCCCC2 ZINC000005070427 563994183 /nfs/dbraw/zinc/99/41/83/563994183.db2.gz GJCMGZCMYFPVLJ-MRXNPFEDSA-N 0 0 327.493 4.768 50 0 EJAARN C[C@@H](CCc1ccccc1)NC(=O)c1csc2c1CCCCC2 ZINC000005070413 563994187 /nfs/dbraw/zinc/99/41/87/563994187.db2.gz FMSQXSOEZLWUTH-HNNXBMFYSA-N 0 0 327.493 4.768 50 0 EJAARN COc1ccc(-c2cc(-c3c(O)ccc4ccccc43)[nH]n2)cc1OC ZINC000005095274 563994329 /nfs/dbraw/zinc/99/43/29/563994329.db2.gz RAJLGKIZSNSMJZ-UHFFFAOYSA-N 0 0 346.386 4.620 50 0 EJAARN CCn1c(C(=O)NC[C@H](C)c2ccccc2)cc2oc3ccccc3c21 ZINC000005149919 563994655 /nfs/dbraw/zinc/99/46/55/563994655.db2.gz NJQCJFUNLOINQX-HNNXBMFYSA-N 0 0 346.430 4.941 50 0 EJAARN Cn1c(C(=O)NCc2cccc(Cl)c2)cc2oc3ccccc3c21 ZINC000005149827 563994689 /nfs/dbraw/zinc/99/46/89/563994689.db2.gz PXJDNQBWGHDIRN-UHFFFAOYSA-N 0 0 338.794 4.508 50 0 aggregator EJAARN O=C(Cc1ccc(F)cc1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000005155411 563994786 /nfs/dbraw/zinc/99/47/86/563994786.db2.gz LIBPUKYLKAEKIW-UHFFFAOYSA-N 0 0 345.377 4.550 50 0 EJAARN CCc1ccc2nc(C(=O)OC)cc(Nc3ccc(C)c(F)c3)c2c1 ZINC000038653208 563994943 /nfs/dbraw/zinc/99/49/43/563994943.db2.gz DBKCSEKJPJDCQL-UHFFFAOYSA-N 0 0 338.382 4.775 50 0 EJAARN CCOc1ccc2ccccc2c1/C=C1/N=C(SCC)SC1=O ZINC000002073585 563996326 /nfs/dbraw/zinc/99/63/26/563996326.db2.gz UEDXOYSHTUGJHG-RVDMUPIBSA-N 0 0 343.473 4.962 50 0 EJAARN Cc1cccc(-n2c(=O)c3ccccc3nc2-c2ccccc2F)c1 ZINC000000127366 563996595 /nfs/dbraw/zinc/99/65/95/563996595.db2.gz OBBJCNTWAWBSOE-UHFFFAOYSA-N 0 0 330.362 4.500 50 0 EJAARN Cc1nc(-c2ccsc2)ccc1C(=O)N(CC1CC1)c1cccnc1 ZINC000135562222 563997448 /nfs/dbraw/zinc/99/74/48/563997448.db2.gz LPHNSNFVHLSDGX-UHFFFAOYSA-N 0 0 349.459 4.570 50 0 EJAARN COc1cccc(CSc2nnc(-c3c[nH]c4ccccc43)o2)c1 ZINC000000414772 563998076 /nfs/dbraw/zinc/99/80/76/563998076.db2.gz IYOUSKJGVYHKKW-UHFFFAOYSA-N 0 0 337.404 4.519 50 0 EJAARN CC(C)(C)c1ccc([C@@H]2SCC(=O)N2c2ccc(F)cc2)cc1 ZINC000000423766 563998323 /nfs/dbraw/zinc/99/83/23/563998323.db2.gz HKWAKMYFZXHWOO-SFHVURJKSA-N 0 0 329.440 4.902 50 0 EJAARN Cc1ccc(N2C(=O)CS[C@H]2c2ccccc2C(F)(F)F)cc1 ZINC000000423973 563998395 /nfs/dbraw/zinc/99/83/95/563998395.db2.gz PNEFMBLEPQHNDF-INIZCTEOSA-N 0 0 337.366 4.792 50 0 EJAARN CC(C)c1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1 ZINC000000426458 563999050 /nfs/dbraw/zinc/99/90/50/563999050.db2.gz VRBQNFIUZHMYOK-UHFFFAOYSA-N 0 0 329.407 4.683 50 0 EJAARN O=c1oc(-c2ccccc2F)nc2scc(-c3cccs3)c21 ZINC000000445801 563999625 /nfs/dbraw/zinc/99/96/25/563999625.db2.gz HCFLZWPTULUIMN-UHFFFAOYSA-N 0 0 329.377 4.784 50 0 EJAARN CC(C)(C)c1ccc(C(=O)c2coc3ccc(Cl)cc3c2=O)cc1 ZINC000000850861 564000044 /nfs/dbraw/zinc/00/00/44/564000044.db2.gz ZRISWGKUXOKJOB-UHFFFAOYSA-N 0 0 340.806 4.975 50 0 EJAARN CNc1nc2c(s1)[C@@H](c1c(Cl)cccc1Cl)CC(=O)N2 ZINC000061717585 564000348 /nfs/dbraw/zinc/00/03/48/564000348.db2.gz SBTJFNYPCIJVAV-ZCFIWIBFSA-N 0 0 328.224 4.615 50 0 EJAARN CCN(c1ccc(NC(=O)Cc2ccccc2Cl)cc1)C(C)C ZINC000005200287 564000372 /nfs/dbraw/zinc/00/03/72/564000372.db2.gz UFEMFMMYVQXVCO-UHFFFAOYSA-N 0 0 330.859 4.756 50 0 EJAARN O=C(c1ccccc1)N(Cc1ccccn1)c1nc2ccccc2s1 ZINC000005203507 564000597 /nfs/dbraw/zinc/00/05/97/564000597.db2.gz XIXNOPFUHUJCLO-UHFFFAOYSA-N 0 0 345.427 4.538 50 0 EJAARN Cc1nc2ccccc2n1CCC(=O)Nc1ccc2ccccc2c1 ZINC000005208791 564000613 /nfs/dbraw/zinc/00/06/13/564000613.db2.gz AXAUKNVWDKQDPP-UHFFFAOYSA-N 0 0 329.403 4.527 50 0 EJAARN Cc1nn2c([nH]c(C(C)(C)C)cc2=S)c1-c1ccc(Cl)cc1 ZINC000005205411 564000680 /nfs/dbraw/zinc/00/06/80/564000680.db2.gz GHGFSFIVIJGAKJ-UHFFFAOYSA-N 0 0 331.872 4.944 50 0 EJAARN CSc1cccc(C(=O)Nc2nc3c(cccc3Cl)s2)c1 ZINC000005222511 564001236 /nfs/dbraw/zinc/00/12/36/564001236.db2.gz FKAYMGWJPAYVHR-UHFFFAOYSA-N 0 0 334.853 4.924 50 0 EJAARN CSc1cccc(C(=O)Nc2nc3ccc(Cl)cc3s2)c1 ZINC000005222504 564001244 /nfs/dbraw/zinc/00/12/44/564001244.db2.gz HXNIUIVJBQQAIB-UHFFFAOYSA-N 0 0 334.853 4.924 50 0 EJAARN C[C@@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1ccncc1 ZINC000005226841 564001289 /nfs/dbraw/zinc/00/12/89/564001289.db2.gz HTJGOCORNUANPJ-OXQOHEQNSA-N 0 0 348.471 4.792 50 0 EJAARN CC(C)(C)c1ccc(OCCCn2c3ccccc3sc2=O)cc1 ZINC000005234814 564001361 /nfs/dbraw/zinc/00/13/61/564001361.db2.gz CBWRIRMQOLBIDB-UHFFFAOYSA-N 0 0 341.476 4.830 50 0 EJAARN CCc1nc2c3ccccc3oc2c(Nc2ccc(C(C)=O)cc2)n1 ZINC000005249720 564001472 /nfs/dbraw/zinc/00/14/72/564001472.db2.gz JTMNEBASGLVRPT-UHFFFAOYSA-N 0 0 331.375 4.885 50 0 EJAARN Cc1ccc(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c(C)c1 ZINC000005267982 564001843 /nfs/dbraw/zinc/00/18/43/564001843.db2.gz PBECNDCQTRURGM-UHFFFAOYSA-N 0 0 340.423 4.747 50 0 EJAARN C[C@H]1CCc2nn(-c3nc4ccccc4s3)c(C(F)(F)F)c2C1 ZINC000005275068 564002319 /nfs/dbraw/zinc/00/23/19/564002319.db2.gz MHWGDPXYTRJTQK-VIFPVBQESA-N 0 0 337.370 4.626 50 0 EJAARN CCCCSc1nc(-c2ccccc2)nc2c1COC(C)(C)C2 ZINC000005307737 564002464 /nfs/dbraw/zinc/00/24/64/564002464.db2.gz LOVXRGARLHFGIP-UHFFFAOYSA-N 0 0 328.481 4.887 50 0 EJAARN O=C1N2CCCN2[C@H](c2ccccc2)N1c1ccc(Cl)c(Cl)c1 ZINC000005325309 564002635 /nfs/dbraw/zinc/00/26/35/564002635.db2.gz SDVZQVHBQMVFSN-INIZCTEOSA-N 0 0 348.233 4.555 50 0 EJAARN COc1ccc(-c2cc3n(c2)CCc2cc4c(cc2-3)OCCCO4)cc1 ZINC000005425745 564003834 /nfs/dbraw/zinc/00/38/34/564003834.db2.gz FXVCLKGNKWPCMK-UHFFFAOYSA-N 0 0 347.414 4.548 50 0 EJAARN C[C@@H](NC(=O)CSc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000002632941 564003933 /nfs/dbraw/zinc/00/39/33/564003933.db2.gz NLIYKOVYYDESMI-LLVKDONJSA-N 0 0 340.275 4.963 50 0 EJAARN O=C(Nc1ccc(N2CCCCC2=O)cc1)Nc1cccc(Cl)c1 ZINC000005441297 564004030 /nfs/dbraw/zinc/00/40/30/564004030.db2.gz YJAAXFBEESNNLJ-UHFFFAOYSA-N 0 0 343.814 4.501 50 0 EJAARN C=CC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 ZINC000005480553 564004595 /nfs/dbraw/zinc/00/45/95/564004595.db2.gz QLWGOOITNIDNOY-HUPNOZJPSA-N 0 0 342.442 4.996 50 0 EJAARN Cn1c(Cc2ccccc2)nnc1SCc1cccc2ccccc21 ZINC000005499035 564004751 /nfs/dbraw/zinc/00/47/51/564004751.db2.gz SNRLGTLQZCJDEJ-UHFFFAOYSA-N 0 0 345.471 4.851 50 0 EJAARN CC(=O)c1cccc(Nc2nc(-c3cccnc3)nc3ccccc32)c1 ZINC000005519902 564004926 /nfs/dbraw/zinc/00/49/26/564004926.db2.gz OKRMIOKQUOUFAU-UHFFFAOYSA-N 0 0 340.386 4.638 50 0 EJAARN COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(CC(C)C)=NN32)cc1 ZINC000005524397 564004976 /nfs/dbraw/zinc/00/49/76/564004976.db2.gz KZUTWIGUSKKYDZ-PZJWPPBQSA-N 0 0 336.435 4.935 50 0 EJAARN CC[C@H]1Oc2c(OC)cccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000005532564 564005120 /nfs/dbraw/zinc/00/51/20/564005120.db2.gz VQRSHEPBZSIBCI-FUHWJXTLSA-N 0 0 342.826 4.628 50 0 EJAARN CCOC(=O)Oc1ccc2c(c1)CC[C@H]1[C@H]3CCC(=O)[C@@]3(C)CC[C@H]21 ZINC000004667912 564005345 /nfs/dbraw/zinc/00/53/45/564005345.db2.gz ZYCKOAZLWMCLLK-IKVWTGGYSA-N 0 0 342.435 4.647 50 0 EJAARN CCCCCCNc1nc2sc3c(c2c2ncnn21)[C@@H](C)CCC3 ZINC000005562608 564005646 /nfs/dbraw/zinc/00/56/46/564005646.db2.gz RWUIKFNUHINRLY-LBPRGKRZSA-N 0 0 343.500 4.771 50 0 EJAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCc2ccccc21 ZINC000005602304 564006259 /nfs/dbraw/zinc/00/62/59/564006259.db2.gz PUMHQWFJPUMLAR-UHFFFAOYSA-N 0 0 327.427 4.798 50 0 EJAARN COc1ccc(OC)c(/C=C/C(=O)Oc2ccc(C(C)C)c(C)c2)c1 ZINC000006277325 564006404 /nfs/dbraw/zinc/00/64/04/564006404.db2.gz ZHTBZCJPIFWRBO-IZZDOVSWSA-N 0 0 340.419 4.754 50 0 EJAARN CC(C)(NC(=O)CCc1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000062580404 564006484 /nfs/dbraw/zinc/00/64/84/564006484.db2.gz ZBKDODFCHZSOMR-UHFFFAOYSA-N 0 0 326.223 4.571 50 0 EJAARN O=C(CCc1ccccc1)OCc1ccc(Oc2cccnc2)cc1 ZINC000062639946 564007033 /nfs/dbraw/zinc/00/70/33/564007033.db2.gz PKGODNWCZSTKMY-UHFFFAOYSA-N 0 0 333.387 4.550 50 0 EJAARN FC(F)(F)CCOc1ccc(Br)cc1C(F)(F)F ZINC000169725695 564017204 /nfs/dbraw/zinc/01/72/04/564017204.db2.gz HCANRQNEMSJRBH-UHFFFAOYSA-N 0 0 337.057 4.799 50 0 EJAARN Cc1nc(-c2cc(C(=O)N3CCc4c3cccc4Cl)co2)cs1 ZINC000157623777 564011106 /nfs/dbraw/zinc/01/11/06/564011106.db2.gz BMEWOFFGFPHFSA-UHFFFAOYSA-N 0 0 344.823 4.568 50 0 EJAARN CCC(=O)Nc1ccc(Nc2nc(C)cc(Nc3ccccc3)n2)cc1 ZINC000017248274 564011425 /nfs/dbraw/zinc/01/14/25/564011425.db2.gz OSYPHAYJLWSKAB-UHFFFAOYSA-N 0 0 347.422 4.621 50 0 EJAARN CCN(c1cccc(C)c1)c1ncnc2c1cnn2-c1ccc(C)cc1 ZINC000017288219 564011473 /nfs/dbraw/zinc/01/14/73/564011473.db2.gz JNQVDGWNBJVGIQ-UHFFFAOYSA-N 0 0 343.434 4.590 50 0 EJAARN Cc1nc(-c2cccs2)sc1C(=O)N1c2ccccc2C[C@@H]1C ZINC000017334778 564011715 /nfs/dbraw/zinc/01/17/15/564011715.db2.gz MVYBSZNXPLLCNL-NSHDSACASA-N 0 0 340.473 4.771 50 0 EJAARN COc1ccc(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc1F ZINC000017604643 564012035 /nfs/dbraw/zinc/01/20/35/564012035.db2.gz JKLUGCQTILGDGL-HXUWFJFHSA-N 0 0 349.405 4.548 50 0 EJAARN O=C(NCc1cccc2ccccc21)c1ccccc1Br ZINC000000036033 564012238 /nfs/dbraw/zinc/01/22/38/564012238.db2.gz ZHSGJOWCVIIDJZ-UHFFFAOYSA-N 0 0 340.220 4.532 50 0 EJAARN Cc1cc(C)c2c(N)c(C(=O)Nc3ccc(F)c(Cl)c3)sc2n1 ZINC000000084512 564012264 /nfs/dbraw/zinc/01/22/64/564012264.db2.gz DZVFMKYWLTVCQC-UHFFFAOYSA-N 0 0 349.818 4.540 50 0 EJAARN C[C@H]1CCc2c(-c3n[nH]c(=S)n3Cc3ccccc3)csc2C1 ZINC000000374711 564012420 /nfs/dbraw/zinc/01/24/20/564012420.db2.gz OUYIHEQAPFOZLC-LBPRGKRZSA-N 0 0 341.505 4.842 50 0 EJAARN O=C(COc1ccc(Cl)cc1)Nc1cc(Cl)ccc1Cl ZINC000000401582 564012577 /nfs/dbraw/zinc/01/25/77/564012577.db2.gz RYOPRZDPRODNGY-UHFFFAOYSA-N 0 0 330.598 4.664 50 0 EJAARN Cc1ccccc1OCC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000017963048 564013433 /nfs/dbraw/zinc/01/34/33/564013433.db2.gz RXXZNTZDGSVAHN-LBPRGKRZSA-N 0 0 338.234 4.558 50 0 EJAARN COc1cccc([C@@H]2CCCN2C(=O)Nc2ccsc2Cl)c1 ZINC000189314801 564015006 /nfs/dbraw/zinc/01/50/06/564015006.db2.gz DLFHWTSPKTXCIZ-AWEZNQCLSA-N 0 0 336.844 4.779 50 0 EJAARN Nc1c2cc3c(nc2sc1C(=O)c1ccccc1)CCCCCC3 ZINC000000496323 564018003 /nfs/dbraw/zinc/01/80/03/564018003.db2.gz ZEZQJKHUYAFYNK-UHFFFAOYSA-N 0 0 336.460 4.769 50 0 EJAARN CCOc1cccc(/C=C\C(=O)Nc2nc3ccc(C)cc3s2)c1 ZINC000005673767 564018018 /nfs/dbraw/zinc/01/80/18/564018018.db2.gz KYAAXKRBVGZWJF-NTMALXAHSA-N 0 0 338.432 4.655 50 0 EJAARN COc1nc(-c2ccccc2)ccc1-c1noc(-c2ccc(F)cc2)n1 ZINC000000498659 564018252 /nfs/dbraw/zinc/01/82/52/564018252.db2.gz OHDMKDVYTFXSKY-UHFFFAOYSA-N 0 0 347.349 4.613 50 0 EJAARN Cc1cc(O[C@@H](C)C(=O)Nc2nc3ccccc3s2)ccc1Cl ZINC000005680012 564018320 /nfs/dbraw/zinc/01/83/20/564018320.db2.gz ZXEZRLNTVCVSDN-NSHDSACASA-N 0 0 346.839 4.664 50 0 EJAARN Cc1cc(C)nc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)n1 ZINC000005680700 564018546 /nfs/dbraw/zinc/01/85/46/564018546.db2.gz ORQZRVIFAOJNAZ-GOSISDBHSA-N 0 0 349.459 4.566 50 0 EJAARN Cc1ccc(CNC(=O)c2ccc(COc3ccccc3)cc2)cc1 ZINC000005698721 564019297 /nfs/dbraw/zinc/01/92/97/564019297.db2.gz AGBUTVSFVXEQHO-UHFFFAOYSA-N 0 0 331.415 4.504 50 0 EJAARN CCOC(=O)c1c(NC(=O)CCC2CCCC2)sc2c1CCCC2 ZINC000000505423 564019427 /nfs/dbraw/zinc/01/94/27/564019427.db2.gz FCUOCNLBGIUZBL-UHFFFAOYSA-N 0 0 349.496 4.713 50 0 EJAARN Cc1nc2c(sc3nc(-c4ccccc4)c4c(c32)CCCC4)c(=O)o1 ZINC000000507245 564019718 /nfs/dbraw/zinc/01/97/18/564019718.db2.gz QTPDAYPSVUFGKP-UHFFFAOYSA-N 0 0 348.427 4.652 50 0 EJAARN CCOc1ccccc1/C=C1\N=C(c2ccc3ccccc3c2)OC1=O ZINC000000509200 564019915 /nfs/dbraw/zinc/01/99/15/564019915.db2.gz YNMXAQHICWEBQT-RGEXLXHISA-N 0 0 343.382 4.583 50 0 EJAARN Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccccc3)NC(=O)CCN21 ZINC000000519108 564020529 /nfs/dbraw/zinc/02/05/29/564020529.db2.gz MHKNHLTWQVRVIA-SDNYCIMKSA-N 0 0 332.447 4.863 50 0 biogenic EJAARN COc1ccc(N(C(=O)Nc2ccc(Cl)cc2)C2=NCCC2)cc1 ZINC000000520012 564020567 /nfs/dbraw/zinc/02/05/67/564020567.db2.gz MSEDKMHNSKFFJB-UHFFFAOYSA-N 0 0 343.814 4.579 50 0 EJAARN CCc1cccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)c1 ZINC000000522151 564021118 /nfs/dbraw/zinc/02/11/18/564021118.db2.gz PJNDSAMPJMZCOB-UHFFFAOYSA-N 0 0 340.386 4.791 50 0 EJAARN CCSc1nc2ccc(NC(=O)c3ccccc3OC)cc2s1 ZINC000000532809 564021611 /nfs/dbraw/zinc/02/16/11/564021611.db2.gz KXFVJUWXWWKINP-UHFFFAOYSA-N 0 0 344.461 4.669 50 0 EJAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(C)C)CC2=O)cc1 ZINC000000534337 564022043 /nfs/dbraw/zinc/02/20/43/564022043.db2.gz FBOBCBDQECXGCR-KRWDZBQOSA-N 0 0 347.462 4.521 50 0 EJAARN COc1ccc(Nc2nc3ccccc3c(NCc3ccco3)n2)cc1 ZINC000000536443 564022145 /nfs/dbraw/zinc/02/21/45/564022145.db2.gz LVLNIGYBEQQXBP-UHFFFAOYSA-N 0 0 346.390 4.587 50 0 EJAARN C[C@@H]1CCCCN1c1ncnc2c3cc(Br)ccc3oc21 ZINC000000541014 564022471 /nfs/dbraw/zinc/02/24/71/564022471.db2.gz GUMNAUDLBMZBQW-SNVBAGLBSA-N 0 0 346.228 4.517 50 0 EJAARN COc1ccc(-c2nc3ccccc3c(NCc3ccccc3)n2)cc1 ZINC000000551210 564022970 /nfs/dbraw/zinc/02/29/70/564022970.db2.gz QAQHNHBPNCLBOU-UHFFFAOYSA-N 0 0 341.414 4.918 50 0 EJAARN Cc1cccn2cc(-c3cccc(NC(=O)c4ccccc4)c3)nc12 ZINC000000553042 564023040 /nfs/dbraw/zinc/02/30/40/564023040.db2.gz FGTJOSSOEODSEI-UHFFFAOYSA-N 0 0 327.387 4.562 50 0 EJAARN O=C(Cc1ccc(Cl)cc1)Nc1nc2c(cccc2Cl)s1 ZINC000000558576 564023202 /nfs/dbraw/zinc/02/32/02/564023202.db2.gz JCIVDOXBMWUOQF-UHFFFAOYSA-N 0 0 337.231 4.784 50 0 EJAARN Cc1nc(-c2cccc(NC(=O)c3cc4ccccc4[nH]3)c2)cs1 ZINC000014940494 564023867 /nfs/dbraw/zinc/02/38/67/564023867.db2.gz BVUQTDVHEYVENM-UHFFFAOYSA-N 0 0 333.416 4.852 50 0 EJAARN Cc1cccc(-c2noc(-c3cc(-c4ccc(Cl)cc4)[nH]n3)n2)c1 ZINC000046913953 564025508 /nfs/dbraw/zinc/02/55/08/564025508.db2.gz XSGTYSYOCBSWGN-UHFFFAOYSA-N 0 0 336.782 4.756 50 0 EJAARN Cc1ccccc1-c1cc(-c2nc(-c3cccc(Cl)c3)no2)n[nH]1 ZINC000046914359 564025559 /nfs/dbraw/zinc/02/55/59/564025559.db2.gz CMYMBWISMKIZQI-UHFFFAOYSA-N 0 0 336.782 4.756 50 0 EJAARN O=C(Nc1ccc(F)c(F)c1)c1cc(-c2cccc3ccccc32)[nH]n1 ZINC000044838127 564027310 /nfs/dbraw/zinc/02/73/10/564027310.db2.gz JNRUZFHWHHAYOJ-UHFFFAOYSA-N 0 0 349.340 4.760 50 0 EJAARN O=C(Nc1cc(F)ccc1F)c1cc(-c2cccc3ccccc32)[nH]n1 ZINC000044838122 564027330 /nfs/dbraw/zinc/02/73/30/564027330.db2.gz SXKRNWHWSKAXJS-UHFFFAOYSA-N 0 0 349.340 4.760 50 0 EJAARN Cc1ccc(-n2c(-c3cccc(C)c3)nc3ccccc3c2=O)cc1 ZINC000044928723 564027788 /nfs/dbraw/zinc/02/77/88/564027788.db2.gz LHSXCDRJUJDZSO-UHFFFAOYSA-N 0 0 326.399 4.670 50 0 EJAARN CC(C)OC(=O)c1nc2ccccc2nc1Nc1ccc(Cl)cc1 ZINC000045901450 564028803 /nfs/dbraw/zinc/02/88/03/564028803.db2.gz VVJPUTRRDNTLIZ-UHFFFAOYSA-N 0 0 341.798 4.592 50 0 EJAARN CCCOC(=O)c1nc2ccccc2nc1Nc1ccc(Cl)cc1 ZINC000045901162 564028808 /nfs/dbraw/zinc/02/88/08/564028808.db2.gz PBFRNQFAKJVASC-UHFFFAOYSA-N 0 0 341.798 4.594 50 0 EJAARN Cc1ccc(Nc2nc3ccccc3nc2C(=O)OCC(C)C)cc1C ZINC000045901667 564028829 /nfs/dbraw/zinc/02/88/29/564028829.db2.gz MANXFCVGNVCXOT-UHFFFAOYSA-N 0 0 349.434 4.803 50 0 EJAARN CCCCOC(=O)c1nc2ccccc2nc1Nc1ccc(C)cc1 ZINC000045901568 564028856 /nfs/dbraw/zinc/02/88/56/564028856.db2.gz TXNRPBRILHWEJS-UHFFFAOYSA-N 0 0 335.407 4.639 50 0 EJAARN Cc1ccc(-c2cnc(SCC(=O)Nc3ccccc3)o2)cc1C ZINC000045943325 564029003 /nfs/dbraw/zinc/02/90/03/564029003.db2.gz SYXPSMPLFFMTJR-UHFFFAOYSA-N 0 0 338.432 4.689 50 0 EJAARN COc1ccccc1-c1noc([C@@H]2C[C@@H]2c2cccc(Cl)c2)n1 ZINC000109454636 564029180 /nfs/dbraw/zinc/02/91/80/564029180.db2.gz CVJOQUNSFFYPLU-HUUCEWRRSA-N 0 0 326.783 4.670 50 0 EJAARN COc1ccccc1-c1noc([C@H]2C[C@@H]2c2cccc(Cl)c2)n1 ZINC000109454640 564029187 /nfs/dbraw/zinc/02/91/87/564029187.db2.gz CVJOQUNSFFYPLU-CABCVRRESA-N 0 0 326.783 4.670 50 0 EJAARN COc1ccc(-c2csc3c2NC(=O)C[C@@H]3c2ccsc2)cc1 ZINC000046076434 564029421 /nfs/dbraw/zinc/02/94/21/564029421.db2.gz BOBFKVULBJYJQW-CQSZACIVSA-N 0 0 341.457 4.959 50 0 EJAARN Cc1ccccc1[C@H]1CCCN1C(=O)Nc1cccc2cnccc21 ZINC000048051208 564029900 /nfs/dbraw/zinc/02/99/00/564029900.db2.gz BXXJPWFGUBKJKJ-HXUWFJFHSA-N 0 0 331.419 4.912 50 0 EJAARN O=C(CCc1ccc(Cl)cc1)Nc1cccc(-c2cnco2)c1 ZINC000048204871 564030033 /nfs/dbraw/zinc/03/00/33/564030033.db2.gz TVFTXOXXSYJSHC-UHFFFAOYSA-N 0 0 326.783 4.566 50 0 EJAARN Cc1cc([C@H]2CCCN2Cc2csc(-c3ccsc3)n2)on1 ZINC000048249226 564030222 /nfs/dbraw/zinc/03/02/22/564030222.db2.gz GSQSLKQVNIJITM-CQSZACIVSA-N 0 0 331.466 4.505 50 0 EJAARN CC(C)N(Cc1csc(-c2ccsc2)n1)Cc1ccccn1 ZINC000048251636 564030435 /nfs/dbraw/zinc/03/04/35/564030435.db2.gz YHDYLXGCFRDUNG-UHFFFAOYSA-N 0 0 329.494 4.677 50 0 EJAARN COc1cc([C@@H](C)NC(=O)C[C@@H]2C=CCC2)ccc1OC1CCCC1 ZINC000048331641 564031150 /nfs/dbraw/zinc/03/11/50/564031150.db2.gz MSGVGHHAMNDYGS-HZPDHXFCSA-N 0 0 343.467 4.550 50 0 EJAARN CC(C)NC(=O)N(Cc1ccc(-c2cccc(F)c2)s1)C(C)C ZINC000048353612 564031406 /nfs/dbraw/zinc/03/14/06/564031406.db2.gz NOIUQHBESPDJCG-UHFFFAOYSA-N 0 0 334.460 4.883 50 0 EJAARN COc1ccc(C)cc1/C=C/C(=O)Oc1cc(Cl)ccc1Cl ZINC000005405364 564032119 /nfs/dbraw/zinc/03/21/19/564032119.db2.gz BSSIGQCFHUQVOF-XBXARRHUSA-N 0 0 337.202 4.929 50 0 EJAARN O=C(CCSc1ccc(F)cc1)N[C@H]1CCCc2ccccc21 ZINC000006543516 564033200 /nfs/dbraw/zinc/03/32/00/564033200.db2.gz CKSHIWBYXUUHSN-SFHVURJKSA-N 0 0 329.440 4.502 50 0 EJAARN CCCc1nnc(NC(=O)Cc2coc3ccc(C(C)C)cc23)s1 ZINC000006809913 564033535 /nfs/dbraw/zinc/03/35/35/564033535.db2.gz GQKRWVLKTNRCFU-UHFFFAOYSA-N 0 0 343.452 4.541 50 0 EJAARN CC[C@H]1CN(C(=O)Nc2ccc(C)c(F)c2)c2cc(C)ccc2O1 ZINC000006843410 564033611 /nfs/dbraw/zinc/03/36/11/564033611.db2.gz UERPCAFBPOFVCO-HNNXBMFYSA-N 0 0 328.387 4.652 50 0 EJAARN Cc1ccc(-c2nc3ccccc3n2CC(=O)c2ccccc2)cc1 ZINC000000713285 564033858 /nfs/dbraw/zinc/03/38/58/564033858.db2.gz VXKQYLLXXSJERQ-UHFFFAOYSA-N 0 0 326.399 4.895 50 0 EJAARN O=C(/C=C/c1nc2ccccc2s1)Nc1ccc(C(F)(F)F)cc1 ZINC000006932209 564033863 /nfs/dbraw/zinc/03/38/63/564033863.db2.gz QXSOFYAOPDNSQL-MDZDMXLPSA-N 0 0 348.349 4.967 50 0 EJAARN CCCCc1nc(CNC2(c3nc(C)cs3)CCCC2)cs1 ZINC000081595532 564034057 /nfs/dbraw/zinc/03/40/57/564034057.db2.gz YXKAPGDLROMSCO-UHFFFAOYSA-N 0 0 335.542 4.810 50 0 EJAARN Cn1c(SCc2ccccc2Oc2ccccc2)nnc1C1CC1 ZINC000007235137 564034247 /nfs/dbraw/zinc/03/42/47/564034247.db2.gz QRBXBXQYHBOAGK-UHFFFAOYSA-N 0 0 337.448 4.777 50 0 EJAARN Cc1cc(C(=O)N(c2nc3ccccc3s2)c2ccccc2)no1 ZINC000007987883 564034628 /nfs/dbraw/zinc/03/46/28/564034628.db2.gz GQZQBTGBIDBAOS-UHFFFAOYSA-N 0 0 335.388 4.571 50 0 EJAARN Cc1cccc(NC(=O)CN2CC[C@@H](C)Sc3ccccc32)c1C ZINC000008132345 564034745 /nfs/dbraw/zinc/03/47/45/564034745.db2.gz POBJKJLIEYSTIQ-OAHLLOKOSA-N 0 0 340.492 4.633 50 0 EJAARN CCOc1cc([C@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)ccc1O ZINC000000818059 564035021 /nfs/dbraw/zinc/03/50/21/564035021.db2.gz BQTMFZDCWAPBEB-NRFANRHFSA-N 0 0 349.434 4.552 50 0 EJAARN CCC[C@@H](O)c1nc2ccccc2n1CCOc1ccc(C)c(C)c1 ZINC000031903296 564035937 /nfs/dbraw/zinc/03/59/37/564035937.db2.gz GZWVIOZVKCMVSL-HXUWFJFHSA-N 0 0 338.451 4.566 50 0 EJAARN O=C(CCSCc1cccc(F)c1F)Nc1cccc(Cl)c1 ZINC000032778787 564036221 /nfs/dbraw/zinc/03/62/21/564036221.db2.gz FEZJCINAALLESI-UHFFFAOYSA-N 0 0 341.810 4.880 50 0 EJAARN Cc1ccc(-c2nc(C)c(C(=O)N3CCCc4ccccc43)s2)o1 ZINC000032922695 564036305 /nfs/dbraw/zinc/03/63/05/564036305.db2.gz JKPGSMSHKWZNAG-UHFFFAOYSA-N 0 0 338.432 4.613 50 0 EJAARN O=C(Nc1ccnn1C1CCCCC1)c1cccc(Cl)c1Cl ZINC000032969274 564036352 /nfs/dbraw/zinc/03/63/52/564036352.db2.gz HURLSMLRJBBNET-UHFFFAOYSA-N 0 0 338.238 4.947 50 0 EJAARN O=C(/C=C/c1ccco1)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000024876775 564036762 /nfs/dbraw/zinc/03/67/62/564036762.db2.gz RRDOXVDOHZELJN-GNNUASRNSA-N 0 0 343.382 4.945 50 0 EJAARN O=C(Nc1ccccc1)NC1(c2ccc(Br)cc2)CCC1 ZINC000040152985 564045502 /nfs/dbraw/zinc/04/55/02/564045502.db2.gz ZPTIOEFHJLMSNE-UHFFFAOYSA-N 0 0 345.240 4.650 50 0 EJAARN Cc1ccc(N[C@@H](C)c2cn3ccccc3n2)cc1Br ZINC000225411115 564046517 /nfs/dbraw/zinc/04/65/17/564046517.db2.gz GFYFGXKZLJZVLF-LBPRGKRZSA-N 0 0 330.229 4.578 50 0 EJAARN Cc1ccc(-c2cccc(CNc3nnc(C(F)(F)F)o3)c2)cc1 ZINC000225568278 564047850 /nfs/dbraw/zinc/04/78/50/564047850.db2.gz BJAVHVWUWJXRGN-UHFFFAOYSA-N 0 0 333.313 4.676 50 0 EJAARN C[C@@H]1CCCN(c2nc3cc(Cl)ccc3c(-c3ccccc3)n2)C1 ZINC000240900718 564051836 /nfs/dbraw/zinc/05/18/36/564051836.db2.gz ITKZBOWZRKDSPD-CQSZACIVSA-N 0 0 337.854 5.187 50 0 EJAARN Cc1nc(C(F)(F)F)c(CN2CC(C)(C)[C@H]2c2cccs2)s1 ZINC000241139448 564051876 /nfs/dbraw/zinc/05/18/76/564051876.db2.gz JQZZMPLYMIKOFY-CYBMUJFWSA-N 0 0 346.443 5.115 50 0 EJAARN C[C@@H](SC12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc(F)c1 ZINC000018759470 564052601 /nfs/dbraw/zinc/05/26/01/564052601.db2.gz NPEAHAPVNKHACN-XUXNNNHQSA-N 0 0 333.472 4.855 50 0 EJAARN CCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C ZINC000249694685 564053171 /nfs/dbraw/zinc/05/31/71/564053171.db2.gz PQCRZWCSVWBYSC-FKAKKMJLSA-N 0 0 328.452 4.570 50 0 EJAARN C[C@@H](NC(=O)CSc1ccccc1F)c1cc2ccccc2o1 ZINC000019047580 564053181 /nfs/dbraw/zinc/05/31/81/564053181.db2.gz FCQGWVGBHGIWGI-GFCCVEGCSA-N 0 0 329.396 4.541 50 0 EJAARN O=C1CCCC[C@H]([C@H](Nc2ccc(Cl)cc2)c2ccccc2)N1 ZINC000000968500 564053716 /nfs/dbraw/zinc/05/37/16/564053716.db2.gz TZYDIYSEXPFVNE-IEBWSBKVSA-N 0 0 328.843 4.552 50 0 EJAARN O=C([C@@H]1CC1(c1ccccc1)c1ccccc1)N1CCc2ccccc21 ZINC000000974195 564053812 /nfs/dbraw/zinc/05/38/12/564053812.db2.gz ZCTSUSQYQJNLND-NRFANRHFSA-N 0 0 339.438 4.582 50 0 EJAARN O=C(Nc1nc2ccc(Cl)cc2s1)[C@H]1C[C@@H]1c1ccccc1 ZINC000000999392 564053928 /nfs/dbraw/zinc/05/39/28/564053928.db2.gz OXNAXRHJNUMJHJ-OLZOCXBDSA-N 0 0 328.824 4.692 50 0 EJAARN CC(C)n1c2ccccc2nc1-c1ccc(C(=O)N2CCCCC2)cc1 ZINC000001008969 564053989 /nfs/dbraw/zinc/05/39/89/564053989.db2.gz OIOLHZWJACIXCG-UHFFFAOYSA-N 0 0 347.462 4.910 50 0 EJAARN O=C(NCCC1=CCCCC1)[C@@H](Cc1ccc(O)cc1)c1ccccc1 ZINC000001095624 564054426 /nfs/dbraw/zinc/05/44/26/564054426.db2.gz JERYPDVGGSAFME-QFIPXVFZSA-N 0 0 349.474 4.725 50 0 EJAARN CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C ZINC000257345597 564055859 /nfs/dbraw/zinc/05/58/59/564055859.db2.gz CGMZETDGTMDEAD-DBXCXYEUSA-N 0 0 332.528 4.841 50 0 EJAARN O=C(NC1CCCCC1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000005947603 564057240 /nfs/dbraw/zinc/05/72/40/564057240.db2.gz YTQCWMKGQWBLIX-IBGZPJMESA-N 0 0 325.477 4.969 50 0 EJAARN CCc1cc(C(=O)OC)c(NC(=S)Nc2ccc(C)cc2C)s1 ZINC000005950072 564057246 /nfs/dbraw/zinc/05/72/46/564057246.db2.gz INUUWLHYUIUJCM-UHFFFAOYSA-N 0 0 348.493 4.523 50 0 EJAARN CCOc1ccc(/C=C/C(=O)Oc2c(C)cccc2C)cc1OCC ZINC000001780501 564057547 /nfs/dbraw/zinc/05/75/47/564057547.db2.gz KIQIPKPKCKFNJR-ACCUITESSA-N 0 0 340.419 4.720 50 0 EJAARN c1ccc(Cc2noc(CSc3ccc4ccccc4n3)n2)cc1 ZINC000031647218 564057844 /nfs/dbraw/zinc/05/78/44/564057844.db2.gz KGAKYZQTXHAXSA-UHFFFAOYSA-N 0 0 333.416 4.501 50 0 EJAARN Cc1ccc(S[C@H](C(=O)NC2CC2)c2ccc(F)cc2)c(C)c1 ZINC000012475449 564057979 /nfs/dbraw/zinc/05/79/79/564057979.db2.gz YIQBFASMPGVTKT-SFHVURJKSA-N 0 0 329.440 4.555 50 0 EJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1c(F)cccc1F ZINC000003236147 564058622 /nfs/dbraw/zinc/05/86/22/564058622.db2.gz DVICBGFCIUFDBA-UHFFFAOYSA-N 0 0 348.736 4.834 50 0 EJAARN CCCn1c(=O)c2ccccc2nc1SCc1cccc(Cl)c1 ZINC000003274751 564058895 /nfs/dbraw/zinc/05/88/95/564058895.db2.gz KJPNWNZULSDVDH-UHFFFAOYSA-N 0 0 344.867 4.752 50 0 EJAARN COc1cccc(C(=O)Nc2nc3c(ccc4ccccc34)s2)c1 ZINC000003362668 564059488 /nfs/dbraw/zinc/05/94/88/564059488.db2.gz MWMMPGFRWWIWIF-UHFFFAOYSA-N 0 0 334.400 4.710 50 0 EJAARN Cc1ccc(NC(=O)c2ccc3ncsc3c2)c(Br)c1 ZINC000003400181 564059546 /nfs/dbraw/zinc/05/95/46/564059546.db2.gz YPMDKIJJYFYAEI-UHFFFAOYSA-N 0 0 347.237 4.620 50 0 EJAARN CSc1nc2ccc(NC(=O)C3(c4ccccc4)CC3)cc2s1 ZINC000003405374 564059562 /nfs/dbraw/zinc/05/95/62/564059562.db2.gz ODXANKARJXNWRK-UHFFFAOYSA-N 0 0 340.473 4.689 50 0 EJAARN Cc1sc2[nH]c([C@H](C)Nc3cccc(C(C)C)c3)nc(=O)c2c1C ZINC000012562275 564059616 /nfs/dbraw/zinc/05/96/16/564059616.db2.gz PILWNJGOXLYWMA-LBPRGKRZSA-N 0 0 341.480 4.898 50 0 EJAARN Cc1ccccc1Cn1cnc2c(-c3ccccc3C)csc2c1=O ZINC000044166719 564059617 /nfs/dbraw/zinc/05/96/17/564059617.db2.gz ZKJGUNQCMBZJQA-UHFFFAOYSA-N 0 0 346.455 4.790 50 0 EJAARN CCc1ccc(Nc2nnc(SC[C@H]3CCCCO3)s2)cc1 ZINC000003532111 564059909 /nfs/dbraw/zinc/05/99/09/564059909.db2.gz MPXCXLCFGOYBKY-CQSZACIVSA-N 0 0 335.498 4.505 50 0 EJAARN O=C(Nc1ccc(F)cc1)c1cc(-c2ccco2)nc2ccccc21 ZINC000003549376 564059924 /nfs/dbraw/zinc/05/99/24/564059924.db2.gz WHFSVRLQHXNXCU-UHFFFAOYSA-N 0 0 332.334 4.886 50 0 EJAARN COc1ccc(-c2nc(NC(=O)c3cccc(F)c3)sc2C)cc1 ZINC000003554319 564059936 /nfs/dbraw/zinc/05/99/36/564059936.db2.gz PURMPKWQANBJPM-UHFFFAOYSA-N 0 0 342.395 4.519 50 0 EJAARN CC(C)c1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 ZINC000012574369 564059947 /nfs/dbraw/zinc/05/99/47/564059947.db2.gz RKQWTHASFAOVEK-IBGZPJMESA-N 0 0 333.435 4.664 50 0 EJAARN COc1cc(-c2nc3ccccn3c2Nc2ccccc2C)ccc1O ZINC000003911574 564060386 /nfs/dbraw/zinc/06/03/86/564060386.db2.gz DVVGFNFJUOTIDK-UHFFFAOYSA-N 0 0 345.402 4.768 50 0 EJAARN COc1cccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)c1 ZINC000012608710 564060558 /nfs/dbraw/zinc/06/05/58/564060558.db2.gz CFSNOGAUSWTKJO-HXUWFJFHSA-N 0 0 348.377 4.605 50 0 EJAARN O=C(CSc1nc2ccccc2[nH]1)c1cc(Cl)ccc1Cl ZINC000012615645 564060649 /nfs/dbraw/zinc/06/06/49/564060649.db2.gz MQHXKHQXHFALOO-UHFFFAOYSA-N 0 0 337.231 4.845 50 0 EJAARN CCc1ccc(C(=O)NCc2ccc(-c3csc(C)n3)cc2)cc1 ZINC000012614461 564060650 /nfs/dbraw/zinc/06/06/50/564060650.db2.gz AHDHAHDRMAHPJW-UHFFFAOYSA-N 0 0 336.460 4.611 50 0 EJAARN Cc1cc(C)c(NC(=O)CCc2ncc(-c3ccccc3)o2)c(C)c1 ZINC000012619460 564060731 /nfs/dbraw/zinc/06/07/31/564060731.db2.gz FJGDOJIRHXCMIU-UHFFFAOYSA-N 0 0 334.419 4.838 50 0 EJAARN CCCC[C@H](CC)C(=O)O[C@@H](C)C(=O)N(CCCC)CCCC ZINC000004428341 564060769 /nfs/dbraw/zinc/06/07/69/564060769.db2.gz KMCZEAHLLDORIG-IRXDYDNUSA-N 0 0 327.509 4.563 50 0 EJAARN CCn1c(C)cc2cc(NC(=O)N(C)[C@@H](C)c3ccco3)ccc21 ZINC000299770235 564060802 /nfs/dbraw/zinc/06/08/02/564060802.db2.gz OHGUHJJYNLVKHQ-AWEZNQCLSA-N 0 0 325.412 4.788 50 0 EJAARN COc1ccc(-c2csc3ncnc(NC4CCCC4)c23)cc1 ZINC000015346433 564060885 /nfs/dbraw/zinc/06/08/85/564060885.db2.gz KQZCDCNLGWPZNR-UHFFFAOYSA-N 0 0 325.437 4.721 50 0 EJAARN C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1 ZINC000004026127 564061134 /nfs/dbraw/zinc/06/11/34/564061134.db2.gz UWBICEKKOYXZRG-GOLQWDRCSA-N 0 0 342.479 4.594 50 0 biogenic EJAARN C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004026904 564061253 /nfs/dbraw/zinc/06/12/53/564061253.db2.gz SOMOGWLYTLQJGT-BLAHRTAXSA-N 0 0 336.903 4.836 50 0 biogenic EJAARN C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004026903 564061259 /nfs/dbraw/zinc/06/12/59/564061259.db2.gz SOMOGWLYTLQJGT-JCKPQHEUSA-N 0 0 336.903 4.836 50 0 biogenic EJAARN Cc1ccc(NC(=O)[C@H](C)N2CCC[C@@H]2c2ccsc2)c(C)c1 ZINC000052803633 564061559 /nfs/dbraw/zinc/06/15/59/564061559.db2.gz BBWLQNXFFZVDJX-MAUKXSAKSA-N 0 0 328.481 4.529 50 0 EJAARN CC(C)c1ccc(CNc2cc(C[S@](C)=O)ccc2Cl)cc1 ZINC000083141476 564061624 /nfs/dbraw/zinc/06/16/24/564061624.db2.gz ZIXWSKZAISTPBR-JOCHJYFZSA-N 0 0 335.900 4.954 50 0 EJAARN Cc1ccc(Oc2ccccc2NC(=O)c2ccc3[nH]cnc3c2)cc1 ZINC000012641012 564062004 /nfs/dbraw/zinc/06/20/04/564062004.db2.gz GJANXONEWWIFFM-UHFFFAOYSA-N 0 0 343.386 4.916 50 0 EJAARN O=C(Nc1ccc(N2CCCCC2=O)cc1)c1ccc2ccccc2c1 ZINC000005441257 564062476 /nfs/dbraw/zinc/06/24/76/564062476.db2.gz YRVVMUPVBRGDBW-UHFFFAOYSA-N 0 0 344.414 4.609 50 0 EJAARN CC(C)Cn1c(=O)c2c([nH]c1=S)-c1ccccc1CC21CCCC1 ZINC000001248150 564062695 /nfs/dbraw/zinc/06/26/95/564062695.db2.gz HIKJOWMQYZINPE-UHFFFAOYSA-N 0 0 340.492 4.597 50 0 EJAARN O=C(Nc1cccc(Br)c1)C1(c2ccccc2)CCCC1 ZINC000002584635 564063022 /nfs/dbraw/zinc/06/30/22/564063022.db2.gz WEDRDHVXLOWTAR-UHFFFAOYSA-N 0 0 344.252 4.900 50 0 EJAARN CCc1nc(C)c(C(=O)N2CCC[C@H]2[C@@H](CC)c2ccccc2)s1 ZINC000083830216 564063536 /nfs/dbraw/zinc/06/35/36/564063536.db2.gz QWDCWBFFAQMIDS-IRXDYDNUSA-N 0 0 342.508 4.812 50 0 EJAARN COC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n(-c2ccccc2)n1 ZINC000001389633 564064355 /nfs/dbraw/zinc/06/43/55/564064355.db2.gz QSAFFKZVADBCJK-UHFFFAOYSA-N 0 0 347.201 4.633 50 0 EJAARN CCSC(NC(=O)Nc1cccc(C(F)(F)F)c1)SCC ZINC000001390993 564064492 /nfs/dbraw/zinc/06/44/92/564064492.db2.gz ZONGBIOMMURPKV-UHFFFAOYSA-N 0 0 338.420 4.617 50 0 EJAARN COC(=O)[C@@H](CC(=O)c1ccccc1)c1c(Cl)cccc1Cl ZINC000001397631 564064787 /nfs/dbraw/zinc/06/47/87/564064787.db2.gz FQQJZEKLZCFKTL-LBPRGKRZSA-N 0 0 337.202 4.523 50 0 EJAARN COc1ccc(CNC(=O)/C(=C/c2cccs2)c2ccccc2)cc1 ZINC000001399010 564064843 /nfs/dbraw/zinc/06/48/43/564064843.db2.gz HEEWCIGQJZHRNB-XSFVSMFZSA-N 0 0 349.455 4.614 50 0 EJAARN COc1ccc(NC(=O)c2ccc(-c3ccc(OC)cc3)s2)cc1 ZINC000001396898 564064894 /nfs/dbraw/zinc/06/48/94/564064894.db2.gz WEGBGFQXNMBMLL-UHFFFAOYSA-N 0 0 339.416 4.685 50 0 EJAARN COc1ccc(-c2nc(CN3CCC[C@H]3c3ccsc3)co2)cc1 ZINC000046089117 564065291 /nfs/dbraw/zinc/06/52/91/564065291.db2.gz JEWBZYFFYYFPKP-SFHVURJKSA-N 0 0 340.448 4.749 50 0 EJAARN C[C@@H](SCc1cccc(Cl)c1)C(=O)Nc1ccc(F)c(F)c1 ZINC000015490533 564066309 /nfs/dbraw/zinc/06/63/09/564066309.db2.gz XFXQLFWGIBIMOU-SNVBAGLBSA-N 0 0 341.810 4.879 50 0 EJAARN Cc1cccc(OCCS[C@H](C)C(=O)Nc2cc(C)ccc2C)c1 ZINC000015492275 564066389 /nfs/dbraw/zinc/06/63/89/564066389.db2.gz IKGKOTWXNRQADS-QGZVFWFLSA-N 0 0 343.492 4.751 50 0 EJAARN Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccco2)ccc1Oc1cccnc1 ZINC000084093749 564066431 /nfs/dbraw/zinc/06/64/31/564066431.db2.gz ANDYBGMUYRVSHD-DLBZAZTESA-N 0 0 334.375 4.518 50 0 EJAARN Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccco2)ccc1Oc1cccnc1 ZINC000084093771 564066453 /nfs/dbraw/zinc/06/64/53/564066453.db2.gz ANDYBGMUYRVSHD-SJORKVTESA-N 0 0 334.375 4.518 50 0 EJAARN O=C(Nc1ccccc1O)c1ccccc1SCc1ccco1 ZINC000012755190 564067194 /nfs/dbraw/zinc/06/71/94/564067194.db2.gz TXVGMIGCJNWFSG-UHFFFAOYSA-N 0 0 325.389 4.530 50 0 EJAARN Cc1nc(-c2ccc(CNC(=O)CCC3CCCC3)cc2)cs1 ZINC000012758610 564067306 /nfs/dbraw/zinc/06/73/06/564067306.db2.gz QXWDUEDDWAECDU-UHFFFAOYSA-N 0 0 328.481 4.705 50 0 EJAARN Cc1cccc(C2(CNC(=O)[C@H]3C[C@@H]3c3cccnc3)CCCCC2)c1 ZINC000084210683 564067434 /nfs/dbraw/zinc/06/74/34/564067434.db2.gz POUOZMVNVPUUIS-RTWAWAEBSA-N 0 0 348.490 4.512 50 0 EJAARN Cc1cccc2c1C(=O)N[C@@H](c1sc3ccccc3c1Cl)N2 ZINC000084229719 564067476 /nfs/dbraw/zinc/06/74/76/564067476.db2.gz QKHSBZLMUSFTNO-INIZCTEOSA-N 0 0 328.824 4.717 50 0 EJAARN CC(C)n1ncc2cc(NC(=O)c3ccc(Cl)c(Cl)c3)cnc21 ZINC000012761618 564067722 /nfs/dbraw/zinc/06/77/22/564067722.db2.gz ZTSNJLVRPDCPSE-UHFFFAOYSA-N 0 0 349.221 4.571 50 0 EJAARN O=C(Nc1cccc(N2CCCC2)c1)c1cc2c(cccc2F)s1 ZINC000084372826 564067981 /nfs/dbraw/zinc/06/79/81/564067981.db2.gz JPDIOHQZZAKWHD-UHFFFAOYSA-N 0 0 340.423 4.893 50 0 EJAARN COc1ccc2c(c1)oc(C(=O)N[C@@H](C)C(C)C)c2-c1ccccc1 ZINC000084410163 564068102 /nfs/dbraw/zinc/06/81/02/564068102.db2.gz SMYUCWGMHSGKSY-AWEZNQCLSA-N 0 0 337.419 4.883 50 0 EJAARN CC(C)[C@H]1CCCN1C(=O)c1cc2ccccc2n1Cc1ccccc1 ZINC000084456564 564068199 /nfs/dbraw/zinc/06/81/99/564068199.db2.gz SGHDCLYWLFDBTR-HXUWFJFHSA-N 0 0 346.474 4.950 50 0 EJAARN COc1ccc(-c2ccc(CCC(=O)N[C@H](C)c3ccccc3)o2)cc1 ZINC000012768398 564068387 /nfs/dbraw/zinc/06/83/87/564068387.db2.gz QMRJWEJBVOELBH-MRXNPFEDSA-N 0 0 349.430 4.765 50 0 EJAARN O=C(c1ccc2ccccc2n1)N(CCc1ccccc1)C1CCCC1 ZINC000084528662 564068599 /nfs/dbraw/zinc/06/85/99/564068599.db2.gz YYTCIBXDIUWFKU-UHFFFAOYSA-N 0 0 344.458 4.862 50 0 EJAARN c1ccc2oc(Nc3cccc(COC[C@H]4CCCCO4)c3)nc2c1 ZINC000084600456 564069013 /nfs/dbraw/zinc/06/90/13/564069013.db2.gz ANYGDNPLHMZFHU-QGZVFWFLSA-N 0 0 338.407 4.657 50 0 EJAARN c1ccc2oc(Nc3cccc(COC[C@@H]4CCCCO4)c3)nc2c1 ZINC000084600454 564069037 /nfs/dbraw/zinc/06/90/37/564069037.db2.gz ANYGDNPLHMZFHU-KRWDZBQOSA-N 0 0 338.407 4.657 50 0 EJAARN O=C(Nc1ccc(Oc2ncccn2)cc1)NC1CCCCCCC1 ZINC000084614835 564069111 /nfs/dbraw/zinc/06/91/11/564069111.db2.gz IOOLLBSARDJDTM-UHFFFAOYSA-N 0 0 340.427 4.503 50 0 EJAARN C[C@H]1c2ccsc2CCN1C(=O)NCc1csc2ccccc12 ZINC000084718218 564069797 /nfs/dbraw/zinc/06/97/97/564069797.db2.gz MSAKEPQBVWQDIS-LBPRGKRZSA-N 0 0 342.489 4.792 50 0 EJAARN CC[C@@H]1c2ccsc2CCN1C(=O)Cn1cc(C)c2ccccc21 ZINC000084736545 564069899 /nfs/dbraw/zinc/06/98/99/564069899.db2.gz CPZKBXFGIAAZIG-QGZVFWFLSA-N 0 0 338.476 4.547 50 0 EJAARN CCN(C(=O)c1cccc(-n2cccc2)c1)[C@H](C)c1ccc(F)cc1 ZINC000084760689 564070079 /nfs/dbraw/zinc/07/00/79/564070079.db2.gz KHQABQISFAXEJO-MRXNPFEDSA-N 0 0 336.410 4.840 50 0 EJAARN CCN(C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)C1CCCC1 ZINC000084761142 564070109 /nfs/dbraw/zinc/07/01/09/564070109.db2.gz XYLWGCKMJJCDNB-HUUCEWRRSA-N 0 0 325.374 4.600 50 0 EJAARN CCc1ccc(OCCSc2nnc(-c3cccs3)o2)cc1 ZINC000015669909 564070428 /nfs/dbraw/zinc/07/04/28/564070428.db2.gz PGJAEQSCXCJJNW-UHFFFAOYSA-N 0 0 332.450 4.532 50 0 EJAARN CCN(C(=O)c1noc2c1CSc1ccccc1-2)c1ccccc1 ZINC000015673966 564070547 /nfs/dbraw/zinc/07/05/47/564070547.db2.gz PYKJVGORSBWQPV-UHFFFAOYSA-N 0 0 336.416 4.614 50 0 EJAARN CCc1cccc(NC(=O)c2noc3c2CSc2ccccc2-3)c1 ZINC000015673976 564070548 /nfs/dbraw/zinc/07/05/48/564070548.db2.gz XGXGQRUVLKDPAV-UHFFFAOYSA-N 0 0 336.416 4.762 50 0 EJAARN CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1cnccc1Cl ZINC000085259626 564072381 /nfs/dbraw/zinc/07/23/81/564072381.db2.gz WZSFLMNFSIMINH-MRXNPFEDSA-N 0 0 332.831 4.655 50 0 EJAARN CCN(C(=O)c1cc(C2CC2)nc2c1cnn2C(C)C)c1ccccc1 ZINC000032516910 564072399 /nfs/dbraw/zinc/07/23/99/564072399.db2.gz WBCPQXHKLRCBDG-UHFFFAOYSA-N 0 0 348.450 4.556 50 0 EJAARN COc1ccc(NC(=O)NCc2cccc(Oc3ccccc3)c2)cc1 ZINC000001443418 564072444 /nfs/dbraw/zinc/07/24/44/564072444.db2.gz PGJSWUYUCSFEKE-UHFFFAOYSA-N 0 0 348.402 4.809 50 0 EJAARN CCOc1ccc(-c2cc(C(=O)N(CC)CC)c3ccccc3n2)cc1 ZINC000006046349 564072603 /nfs/dbraw/zinc/07/26/03/564072603.db2.gz CSOXKKIRHVAUEE-UHFFFAOYSA-N 0 0 348.446 4.783 50 0 EJAARN C[C@H]1Cc2ccccc2N1C(=O)COc1ccc(-c2ccccc2)cc1 ZINC000001459178 564072978 /nfs/dbraw/zinc/07/29/78/564072978.db2.gz QOTKJFSQSYZHAS-KRWDZBQOSA-N 0 0 343.426 4.710 50 0 EJAARN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000001460360 564073102 /nfs/dbraw/zinc/07/31/02/564073102.db2.gz RPXVZWKOTCPEBI-HZPDHXFCSA-N 0 0 345.446 4.700 50 0 EJAARN C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)c1cccs1 ZINC000012816766 564073190 /nfs/dbraw/zinc/07/31/90/564073190.db2.gz SKIQSLQVLOJNQJ-NXEZZACHSA-N 0 0 344.263 4.700 50 0 EJAARN C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)c1cccs1 ZINC000012816773 564073201 /nfs/dbraw/zinc/07/32/01/564073201.db2.gz SKIQSLQVLOJNQJ-ZJUUUORDSA-N 0 0 344.263 4.700 50 0 EJAARN c1sc2ncn3c(nnc3-c3ccccc3)c2c1-c1ccccc1 ZINC000001465777 564073268 /nfs/dbraw/zinc/07/32/68/564073268.db2.gz XCNHGNCRUSYBSG-UHFFFAOYSA-N 0 0 328.400 4.673 50 0 EJAARN Cc1[nH]c2ccccc2c1[C@@H](Nc1cc(C)ccn1)c1cccs1 ZINC000006063165 564073345 /nfs/dbraw/zinc/07/33/45/564073345.db2.gz FCEQYQWAOQUKPG-FQEVSTJZSA-N 0 0 333.460 4.865 50 0 EJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc2c(s1)CCCC2 ZINC000006078122 564073502 /nfs/dbraw/zinc/07/35/02/564073502.db2.gz TYJMWSFAXMWKAX-UHFFFAOYSA-N 0 0 341.354 4.778 50 0 EJAARN Cc1ccc(/C=C\C(=O)Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000006076597 564073525 /nfs/dbraw/zinc/07/35/25/564073525.db2.gz KBULCLYFYBHTBI-TWGQIWQCSA-N 0 0 328.824 4.910 50 0 EJAARN Cc1nc(C(=O)N[C@@H](C)c2ccccc2)cc2c3ccccc3[nH]c21 ZINC000006075855 564073572 /nfs/dbraw/zinc/07/35/72/564073572.db2.gz CFUQAFSVAQDAPM-ZDUSSCGKSA-N 0 0 329.403 4.516 50 0 biogenic EJAARN Cc1oc(-c2ccccc2)nc1C(=O)Nc1nc2ccccc2s1 ZINC000006084645 564073701 /nfs/dbraw/zinc/07/37/01/564073701.db2.gz WHEJNRPMNIWHLU-UHFFFAOYSA-N 0 0 335.388 4.512 50 0 EJAARN CC(=O)c1ccc(NC(=O)C[C@H](c2ccc(C)cc2)n2cccc2)cc1 ZINC000015771140 564073712 /nfs/dbraw/zinc/07/37/12/564073712.db2.gz QWLFWPLLNJKAAA-OAQYLSRUSA-N 0 0 346.430 4.617 50 0 EJAARN CCOc1ccccc1NC(=O)C[C@@H](c1ccccc1)n1cccc1 ZINC000015771284 564073764 /nfs/dbraw/zinc/07/37/64/564073764.db2.gz DYAPXLQGHWNKLJ-IBGZPJMESA-N 0 0 334.419 4.505 50 0 EJAARN Cc1oc(-c2ccccc2C)nc1CNC(=O)Nc1cc(C)ccc1C ZINC000015774673 564073829 /nfs/dbraw/zinc/07/38/29/564073829.db2.gz GJGAZLRGXKTYLZ-UHFFFAOYSA-N 0 0 349.434 4.897 50 0 EJAARN O=C(CSc1nc(-c2ccccc2)cs1)c1ccc(F)cc1 ZINC000026040044 564074176 /nfs/dbraw/zinc/07/41/76/564074176.db2.gz UYWKMPZUYZLFEY-UHFFFAOYSA-N 0 0 329.421 4.924 50 0 EJAARN CC(=O)O[C@@]1(C)CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000035196770 564074388 /nfs/dbraw/zinc/07/43/88/564074388.db2.gz YKEIELWRIARSQU-POYSHKPISA-N 0 0 346.511 4.920 50 0 biogenic EJAARN Cc1occc1C(=O)Nc1c(-c2ccc(F)cc2)nc2cc(C)ccn21 ZINC000012822897 564074716 /nfs/dbraw/zinc/07/47/16/564074716.db2.gz IBMTXEXIWOOERH-UHFFFAOYSA-N 0 0 349.365 4.603 50 0 EJAARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000000098776 564074938 /nfs/dbraw/zinc/07/49/38/564074938.db2.gz GDFPOIHRMVYESO-UHFFFAOYSA-N 0 0 333.231 4.977 50 0 EJAARN Cc1ccc(-c2csc(NC(=O)c3ccc(F)c(F)c3)n2)cc1C ZINC000001514248 564075199 /nfs/dbraw/zinc/07/51/99/564075199.db2.gz JWKYLBIKQAFPEL-UHFFFAOYSA-N 0 0 344.386 4.957 50 0 EJAARN Cc1cc(C)cc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c1 ZINC000012853133 564075398 /nfs/dbraw/zinc/07/53/98/564075398.db2.gz OSXXMGMGIYPBTQ-UHFFFAOYSA-N 0 0 348.450 4.759 50 0 EJAARN Cc1cc(C)cc(NC(=O)CSc2nccn2C2CCCCC2)c1 ZINC000015825304 564075618 /nfs/dbraw/zinc/07/56/18/564075618.db2.gz HSCQOOQRLBYMNH-UHFFFAOYSA-N 0 0 343.496 4.736 50 0 EJAARN O=C(COc1cccc2ccccc21)N1CCC[C@@H]1c1cccs1 ZINC000012860586 564075696 /nfs/dbraw/zinc/07/56/96/564075696.db2.gz MRPOTZYMXBMQSJ-QGZVFWFLSA-N 0 0 337.444 4.644 50 0 EJAARN O=C(Nc1ccc(F)cc1)OCCOc1ccc(Cl)cc1Cl ZINC000001753714 564076038 /nfs/dbraw/zinc/07/60/38/564076038.db2.gz RFMUANSGXNJACI-UHFFFAOYSA-N 0 0 344.169 4.760 50 0 EJAARN CC(C)[C@@H](CSc1ccccc1)CS(=O)(=O)c1ccccc1 ZINC000043762998 564076236 /nfs/dbraw/zinc/07/62/36/564076236.db2.gz YMXUZQWDGRBBFP-INIZCTEOSA-N 0 0 334.506 4.525 50 0 EJAARN C[C@H]1CC[C@@H]2CC(=O)[C@@]3(C)C=CC[C@H]3[C@@]2(C)[C@@H]1CCC1(C)OCCO1 ZINC000071786284 564076293 /nfs/dbraw/zinc/07/62/93/564076293.db2.gz LBLHUWSRAPAKNS-NXEFMFLDSA-N 0 0 346.511 4.753 50 0 EJAARN COc1ccc([C@@H]2CCCN2Cc2ccc(Br)cc2)cc1 ZINC000015836949 564076460 /nfs/dbraw/zinc/07/64/60/564076460.db2.gz BQJLGXQFWIWBHI-SFHVURJKSA-N 0 0 346.268 4.795 50 0 EJAARN Fc1cccc([C@H]2CCCN2Cc2ccc(Br)s2)c1 ZINC000015837110 564076466 /nfs/dbraw/zinc/07/64/66/564076466.db2.gz JFOVTIKUAOSABJ-CQSZACIVSA-N 0 0 340.261 4.987 50 0 EJAARN S=C1O[C@]2(C[C@@H]3CC[C@H]4CC[C@@H]2[C@H]43)[C@@]2(C[C@@H]3CC[C@@H]4CC[C@@H]2[C@@H]43)O1 ZINC000257357066 564076578 /nfs/dbraw/zinc/07/65/78/564076578.db2.gz LVXICQLAEIUOJT-JKJJDASLSA-N 0 0 344.520 4.708 50 0 EJAARN O=C(/C=C1\Sc2ccccc2N1Cc1ccccc1)c1ccncc1 ZINC000005390948 564076772 /nfs/dbraw/zinc/07/67/72/564076772.db2.gz NZDFEKMXAMFBCG-STZFKDTASA-N 0 0 344.439 4.918 50 0 EJAARN O=C(Nc1ccc2[nH]c(CCc3ccccc3)nc2c1)c1cccs1 ZINC000015863860 564077150 /nfs/dbraw/zinc/07/71/50/564077150.db2.gz ISMBULANZGYJRI-UHFFFAOYSA-N 0 0 347.443 4.662 50 0 EJAARN CCOc1ccc2oc(C)c(C(=O)Nc3ccc(C(C)=O)cc3)c2c1 ZINC000015880481 564077372 /nfs/dbraw/zinc/07/73/72/564077372.db2.gz AELTYSPKAZCNCQ-UHFFFAOYSA-N 0 0 337.375 4.595 50 0 EJAARN Cc1nc(-c2cccc(NC(=O)c3c[nH]c4ccccc34)c2)cs1 ZINC000012887451 564077487 /nfs/dbraw/zinc/07/74/87/564077487.db2.gz UZGXPNJDKCJMEO-UHFFFAOYSA-N 0 0 333.416 4.852 50 0 EJAARN CCC(=O)Nc1ccc(-c2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000012887866 564077526 /nfs/dbraw/zinc/07/75/26/564077526.db2.gz YPIVGJUBYPAACK-UHFFFAOYSA-N 0 0 326.396 4.965 50 0 EJAARN Cc1nc(-c2cccs2)sc1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000012892144 564077582 /nfs/dbraw/zinc/07/75/82/564077582.db2.gz IONWJLNADXUHCV-JTQLQIEISA-N 0 0 346.452 4.810 50 0 EJAARN O=C(Nc1ccc(-c2nccs2)cc1)c1cccc(OC(F)F)c1 ZINC000012905556 564077823 /nfs/dbraw/zinc/07/78/23/564077823.db2.gz OQKMRMDXHNPRFC-UHFFFAOYSA-N 0 0 346.358 4.664 50 0 EJAARN C[C@@H]1CN(C(=O)c2csc(-c3ccoc3)n2)c2ccccc2S1 ZINC000088221402 564078444 /nfs/dbraw/zinc/07/84/44/564078444.db2.gz ULVFNIMIZOSQDV-LLVKDONJSA-N 0 0 342.445 4.544 50 0 EJAARN Cc1csc(=S)n1OC(=O)C1=CC[C@@](C)(c2ccccc2)CC1 ZINC000005748679 564078668 /nfs/dbraw/zinc/07/86/68/564078668.db2.gz GIRJOERDXKYXPR-GOSISDBHSA-N 0 0 345.489 4.611 50 0 EJAARN CC(=O)c1c(C)nc2n(Cc3ccc(Cl)cc3)c3ccccc3n12 ZINC000005634694 564078679 /nfs/dbraw/zinc/07/86/79/564078679.db2.gz FRRXOWZUAUXBOM-UHFFFAOYSA-N 0 0 337.810 4.502 50 0 EJAARN CC(C)(C)c1ncc(NC(=O)c2cc3c(ccc4ccccc34)[nH]2)cn1 ZINC000063817954 564078759 /nfs/dbraw/zinc/07/87/59/564078759.db2.gz QKCUZGSTVQEAFL-UHFFFAOYSA-N 0 0 344.418 4.661 50 0 EJAARN CC(C)CCC[C@H](C)NC(=O)N(C)Cc1nc2ccccc2s1 ZINC000026181885 564079811 /nfs/dbraw/zinc/07/98/11/564079811.db2.gz TZLAZWWJQVVCRP-AWEZNQCLSA-N 0 0 333.501 4.653 50 0 EJAARN COc1ccc(C)cc1[C@@H](C)NC(=O)Nc1scnc1C(C)(C)C ZINC000075094146 564079918 /nfs/dbraw/zinc/07/99/18/564079918.db2.gz NZLQIDCOCWEYNG-GFCCVEGCSA-N 0 0 347.484 4.640 50 0 EJAARN O=C(Cc1cccc2ccccc21)N1CCC(c2ccsc2)CC1 ZINC000075157135 564080880 /nfs/dbraw/zinc/08/08/80/564080880.db2.gz HOSFJGACMMQCQT-UHFFFAOYSA-N 0 0 335.472 4.850 50 0 EJAARN COc1cccc2cc(C(=O)N3CCC(c4ccsc4)CC3)oc21 ZINC000075157140 564080941 /nfs/dbraw/zinc/08/09/41/564080941.db2.gz SUUYOTAOHACFEY-UHFFFAOYSA-N 0 0 341.432 4.523 50 0 EJAARN Cc1cc2c(cc1-c1ccnc(N3CCCC3)n1)NC(C)(C)C[C@@H]2C ZINC000575473071 564080989 /nfs/dbraw/zinc/08/09/89/564080989.db2.gz CHMPGHKWRXJIJY-HNNXBMFYSA-N 0 0 336.483 4.750 50 0 EJAARN COc1ccc2c(c1)CCCN2C(=S)Nc1ccc(Cl)cc1C ZINC000075274223 564081359 /nfs/dbraw/zinc/08/13/59/564081359.db2.gz OSNOEOGMYOOZQG-UHFFFAOYSA-N 0 0 346.883 4.807 50 0 EJAARN CCSC1=N/C(=C/c2ccc(OC3CCCC3)cc2)C(=O)S1 ZINC000006439938 564081781 /nfs/dbraw/zinc/08/17/81/564081781.db2.gz PVTIBRUTAWQCTL-RVDMUPIBSA-N 0 0 333.478 4.731 50 0 EJAARN CC(C)(C)c1ccc(C2=N/C(=C\C=C\c3ccccc3)C(=O)O2)cc1 ZINC000016323177 564081885 /nfs/dbraw/zinc/08/18/85/564081885.db2.gz MXTGPXDCCIJKAT-QBWRGEQUSA-N 0 0 331.415 4.885 50 0 EJAARN CCCc1cc2c(cc1NC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C)OCO2 ZINC000001670456 564082188 /nfs/dbraw/zinc/08/21/88/564082188.db2.gz QPHJVFKCXRFWFY-KBXCAEBGSA-N 0 0 329.440 4.545 50 0 in-vitro EJAARN O=C(Sc1cccc2cccnc21)c1ccc(Br)cc1 ZINC000075373195 564082245 /nfs/dbraw/zinc/08/22/45/564082245.db2.gz QKVDYMXEUVDKLO-UHFFFAOYSA-N 0 0 344.233 4.930 50 0 EJAARN O=C(Cc1ccccc1Cl)NCc1ccc(-c2cccs2)o1 ZINC000575607999 564082425 /nfs/dbraw/zinc/08/24/25/564082425.db2.gz HDNODXHYYUGTLP-UHFFFAOYSA-N 0 0 331.824 4.520 50 0 EJAARN O=C(Cc1c(F)cccc1Cl)NCc1ccc(-c2cccs2)o1 ZINC000575609047 564082477 /nfs/dbraw/zinc/08/24/77/564082477.db2.gz NLPJIEDPJQWFDK-UHFFFAOYSA-N 0 0 349.814 4.660 50 0 EJAARN O=C(CSCc1ccccc1)NCc1ccc(-c2cccs2)o1 ZINC000575609223 564082482 /nfs/dbraw/zinc/08/24/82/564082482.db2.gz SIDYVSJBSUYAOD-UHFFFAOYSA-N 0 0 343.473 4.558 50 0 EJAARN CSc1ccccc1C(=O)NCc1ccc(-c2ccsc2)o1 ZINC000575610466 564082572 /nfs/dbraw/zinc/08/25/72/564082572.db2.gz NMJRKDRXJSPABF-UHFFFAOYSA-N 0 0 329.446 4.660 50 0 EJAARN Cc1ccc(CSc2nc3cc(Br)c(C)nc3[nH]2)cc1 ZINC000006204557 564082795 /nfs/dbraw/zinc/08/27/95/564082795.db2.gz GGLSWNQKLAUEAQ-UHFFFAOYSA-N 0 0 348.269 4.630 50 0 EJAARN Cc1cc(C)cc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1 ZINC000006219561 564083033 /nfs/dbraw/zinc/08/30/33/564083033.db2.gz PNNGHVDHQSVGJE-UHFFFAOYSA-N 0 0 344.386 4.957 50 0 EJAARN CC[C@H](C)[C@@H](N)c1nnc(SCc2ccc(Cl)cc2Cl)o1 ZINC000006224725 564083090 /nfs/dbraw/zinc/08/30/90/564083090.db2.gz CMUDICHQEPXIDK-QPUJVOFHSA-N 0 0 346.283 4.715 50 0 EJAARN Cc1ccc(C)c(-c2csc(NC(=O)c3ccccc3F)n2)c1 ZINC000006237572 564083173 /nfs/dbraw/zinc/08/31/73/564083173.db2.gz VBVWOKSQAFRBTM-UHFFFAOYSA-N 0 0 326.396 4.818 50 0 EJAARN O=C(CNc1ccccc1Oc1ccccc1)Nc1ccc(F)cc1 ZINC000006250098 564083278 /nfs/dbraw/zinc/08/32/78/564083278.db2.gz KXSRGQMWZFJAPN-UHFFFAOYSA-N 0 0 336.366 4.669 50 0 EJAARN Cc1cc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000006266424 564083382 /nfs/dbraw/zinc/08/33/82/564083382.db2.gz ARCZNCIVBCYTKN-UHFFFAOYSA-N 0 0 333.218 4.895 50 0 EJAARN O=C(c1ccccc1C(F)(F)F)N1CCc2sc(Cl)cc2C1 ZINC000575616558 564083469 /nfs/dbraw/zinc/08/34/69/564083469.db2.gz QESVQRBIGKFJKP-UHFFFAOYSA-N 0 0 345.773 4.619 50 0 EJAARN COc1ccc(-c2cn3cc(Cl)c(C)c(Cl)c3n2)cc1OC ZINC000006295144 564083661 /nfs/dbraw/zinc/08/36/61/564083661.db2.gz TUMDFUCDOLVXPH-UHFFFAOYSA-N 0 0 337.206 4.634 50 0 EJAARN C[C@H](Cc1csc2ccccc12)NC(=O)Nc1c(F)cccc1F ZINC000575619937 564083823 /nfs/dbraw/zinc/08/38/23/564083823.db2.gz HDISDWLHMXCJEB-LLVKDONJSA-N 0 0 346.402 4.932 50 0 EJAARN C[C@@H](Cc1csc2ccccc12)NC(=O)c1ccccc1Cl ZINC000575621844 564083876 /nfs/dbraw/zinc/08/38/76/564083876.db2.gz VWSHXCJBYBGIBZ-LBPRGKRZSA-N 0 0 329.852 4.916 50 0 EJAARN CC(=O)N1c2cc(C)cc(C)c2[C@@H]2OCC[C@@H]2[C@@H]1c1cccs1 ZINC000222417450 564084289 /nfs/dbraw/zinc/08/42/89/564084289.db2.gz NOCGPOGIVZUDDQ-NIKGAXFTSA-N 0 0 327.449 4.550 50 0 EJAARN O=C(c1ccc(-c2ccc(Cl)cc2)s1)N1CCc2cnccc21 ZINC000118638346 564084351 /nfs/dbraw/zinc/08/43/51/564084351.db2.gz XRHUAJKCYPPGPL-UHFFFAOYSA-N 0 0 340.835 4.666 50 0 EJAARN CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1Cl ZINC000033848393 564084449 /nfs/dbraw/zinc/08/44/49/564084449.db2.gz OGMRYTHCFHDCJS-GDNBJRDFSA-N 0 0 331.202 4.800 50 0 EJAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(C(C)C)cc1 ZINC000012978824 564084958 /nfs/dbraw/zinc/08/49/58/564084958.db2.gz LONTZQYZAGIQQP-NRFANRHFSA-N 0 0 348.446 4.713 50 0 EJAARN O=C(Nc1cccs1)N(CCc1cccs1)Cc1ccoc1 ZINC000090612433 564084994 /nfs/dbraw/zinc/08/49/94/564084994.db2.gz DIDMLRPDAMGERY-UHFFFAOYSA-N 0 0 332.450 4.679 50 0 EJAARN Cc1ccccc1NC(=O)N(CCc1cccs1)Cc1ccoc1 ZINC000090612435 564085005 /nfs/dbraw/zinc/08/50/05/564085005.db2.gz CZYDXTNNGFTHFU-UHFFFAOYSA-N 0 0 340.448 4.926 50 0 EJAARN Cc1ccc(C)c(Sc2ccc(NC(=S)NC3CC3)cc2)c1 ZINC000006335501 564085196 /nfs/dbraw/zinc/08/51/96/564085196.db2.gz YHJYKZQJZLLPJC-UHFFFAOYSA-N 0 0 328.506 4.903 50 0 EJAARN O=C(Nc1nc(-c2ccccn2)cs1)c1ccc2ccccc2c1 ZINC000006347177 564085230 /nfs/dbraw/zinc/08/52/30/564085230.db2.gz SFRHERIRVXDZJG-UHFFFAOYSA-N 0 0 331.400 4.611 50 0 EJAARN O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(F)c(Cl)c1 ZINC000006378381 564085345 /nfs/dbraw/zinc/08/53/45/564085345.db2.gz ALHMGRAADZBPRL-UHFFFAOYSA-N 0 0 331.696 4.679 50 0 EJAARN O=C(COc1ccc2ccccc2c1)Nc1ccc(C(F)(F)F)cc1 ZINC000006393306 564085508 /nfs/dbraw/zinc/08/55/08/564085508.db2.gz VQEDZMWBTIXPGP-UHFFFAOYSA-N 0 0 345.320 4.876 50 0 EJAARN O=C(c1cccc(OCc2ccccc2)c1)N(Cc1ccco1)C1CC1 ZINC000012988874 564085757 /nfs/dbraw/zinc/08/57/57/564085757.db2.gz IUTSDHOAWFXAIG-UHFFFAOYSA-N 0 0 347.414 4.663 50 0 EJAARN O=C(CCC(=O)c1ccccc1)Nc1ccc(-c2ccccc2)cc1 ZINC000006426356 564086122 /nfs/dbraw/zinc/08/61/22/564086122.db2.gz GLEPDCAZMSPXJO-UHFFFAOYSA-N 0 0 329.399 4.955 50 0 EJAARN C[C@@H]1CC2=C(C[C@@H]1[C@H]1OC[C@@H](C[NH+]3CCCCC3)O1)C(C)(C)CCC2 ZINC000085867340 564086268 /nfs/dbraw/zinc/08/62/68/564086268.db2.gz GWNYATQURCVOGA-RBAQFSTRSA-N 0 0 347.543 4.767 50 0 biogenic EJAARN CC[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1)c1c(C)noc1C ZINC000090886540 564086941 /nfs/dbraw/zinc/08/69/41/564086941.db2.gz DAVNJCKUTULPKH-BFUOFWGJSA-N 0 0 338.455 4.587 50 0 EJAARN Cc1ccc(-c2nocc2CCC(=O)NCc2cc(C)ccc2C)cc1 ZINC000075510208 564087362 /nfs/dbraw/zinc/08/73/62/564087362.db2.gz WFYNXDMJXKIJCK-UHFFFAOYSA-N 0 0 348.446 4.516 50 0 EJAARN COc1ccc([C@H]2CCCCCN2C(=O)/C=C/c2cccs2)cc1 ZINC000016470974 564087674 /nfs/dbraw/zinc/08/76/74/564087674.db2.gz PVKRYTOMNVADOB-JXOMPUQVSA-N 0 0 341.476 4.914 50 0 EJAARN O=C(/C=C/c1ccccc1)Nc1cc(Br)ccc1Cl ZINC000061692784 564087925 /nfs/dbraw/zinc/08/79/25/564087925.db2.gz MSXBCAKUVBHSDF-RMKNXTFCSA-N 0 0 336.616 4.754 50 0 EJAARN CC(C)(C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000241644207 564088382 /nfs/dbraw/zinc/08/83/82/564088382.db2.gz PPDFDSUQCMHLLB-RBSFLKMASA-N 0 0 333.438 5.030 50 0 EJAARN COCc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1 ZINC000001926913 564090240 /nfs/dbraw/zinc/09/02/40/564090240.db2.gz STFKNPWPIKFWOI-UHFFFAOYSA-N 0 0 344.842 4.695 50 0 EJAARN CC(C)Sc1cccc(Cl)c1CNCc1nccn1C(F)F ZINC000192509525 564090312 /nfs/dbraw/zinc/09/03/12/564090312.db2.gz RIEBUFOKQISJMY-UHFFFAOYSA-N 0 0 345.846 4.722 50 0 EJAARN O=C(CCCc1c[nH]c2ccccc12)Nc1cccc2cccnc21 ZINC000000338679 564090490 /nfs/dbraw/zinc/09/04/90/564090490.db2.gz ATGBVUJKSFEPRE-UHFFFAOYSA-N 0 0 329.403 4.678 50 0 EJAARN O=C(Nc1ccccc1COc1ccccc1)c1ccc2c(c1)COC2 ZINC000064394718 564090686 /nfs/dbraw/zinc/09/06/86/564090686.db2.gz KVEKBSUKVUHFKN-UHFFFAOYSA-N 0 0 345.398 4.548 50 0 EJAARN S=C(Nc1ccccc1)N(N=Cc1ccccc1)c1ccccc1 ZINC000252622768 564090741 /nfs/dbraw/zinc/09/07/41/564090741.db2.gz OCAWUMSKRAFUCZ-UHFFFAOYSA-N 0 0 331.444 4.924 50 0 EJAARN COc1ccccc1Oc1nc2ccccc2nc1N1CCC(C)CC1 ZINC000064438548 564091325 /nfs/dbraw/zinc/09/13/25/564091325.db2.gz SSCXFQYDENHFTC-UHFFFAOYSA-N 0 0 349.434 4.667 50 0 EJAARN c1ccc(-c2noc(COc3ccccc3-c3ccccc3)n2)cc1 ZINC000006510839 564091354 /nfs/dbraw/zinc/09/13/54/564091354.db2.gz HHVHRTMJGPAZBW-UHFFFAOYSA-N 0 0 328.371 4.983 50 0 EJAARN Cc1n[nH]c(C)c1NC(=O)c1cc(-c2ccccc2)ccc1Cl ZINC000089522947 564091650 /nfs/dbraw/zinc/09/16/50/564091650.db2.gz XFRNFEBAMNAFPV-UHFFFAOYSA-N 0 0 325.799 4.599 50 0 EJAARN COc1cccc(-n2c(=S)[n-]nc2[C@@H]2C[C@H]2c2ccc(C)cc2)c1 ZINC000006533837 564091662 /nfs/dbraw/zinc/09/16/62/564091662.db2.gz RZLCWCPSHYSWNR-DLBZAZTESA-N 0 0 337.448 4.518 50 0 EJAARN O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccco1 ZINC000006553454 564092007 /nfs/dbraw/zinc/09/20/07/564092007.db2.gz NOVCIKZNFNRXJB-UHFFFAOYSA-N 0 0 326.333 4.508 50 0 EJAARN O=C(COc1ccc(Cl)cc1C1CCCCC1)NCc1ccco1 ZINC000006561566 564092121 /nfs/dbraw/zinc/09/21/21/564092121.db2.gz YRPMKFVDQWFRPV-UHFFFAOYSA-N 0 0 347.842 4.676 50 0 EJAARN COc1ccc(-c2cncc(C(=O)Nc3ccc(Cl)cc3)c2)cc1 ZINC000064568294 564092253 /nfs/dbraw/zinc/09/22/53/564092253.db2.gz AHKYICNSMUBFHF-UHFFFAOYSA-N 0 0 338.794 4.663 50 0 EJAARN COc1ccc([C@H]2C[C@@]23CC[C@]2(C[C@H]2c2ccc(OC)cc2)C3=O)cc1 ZINC000169330336 564092267 /nfs/dbraw/zinc/09/22/67/564092267.db2.gz SCWGCMYYEYQDTI-MTRWAHQCSA-N 0 0 348.442 4.714 50 0 EJAARN Cc1ccc2nc(C(=O)N3CCCC3)cc(Nc3ccccc3)c2c1 ZINC000064568385 564092269 /nfs/dbraw/zinc/09/22/69/564092269.db2.gz SVTKZJPSTQAQQE-UHFFFAOYSA-N 0 0 331.419 4.523 50 0 EJAARN Cc1cc(Cl)ccc1NC(=O)CSc1ccc2ccccc2n1 ZINC000005626755 564093277 /nfs/dbraw/zinc/09/32/77/564093277.db2.gz NMWYFZIIAPXRLU-UHFFFAOYSA-N 0 0 342.851 4.927 50 0 EJAARN CCc1cc(CN(C)C(=O)c2ccc(-c3sccc3C)cc2)on1 ZINC000426502836 564093924 /nfs/dbraw/zinc/09/39/24/564093924.db2.gz DOZJVYPPUWNURR-UHFFFAOYSA-N 0 0 340.448 4.546 50 0 EJAARN O=C(NCc1ccncc1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000006615099 564094513 /nfs/dbraw/zinc/09/45/13/564094513.db2.gz YYZNHLHKOSMFHU-UHFFFAOYSA-N 0 0 347.201 4.578 50 0 EJAARN Cc1onc(-c2ccccc2)c1C(=O)OCc1c(F)cccc1Cl ZINC000006628233 564094714 /nfs/dbraw/zinc/09/47/14/564094714.db2.gz OOHFBBXRJUMUTD-UHFFFAOYSA-N 0 0 345.757 4.800 50 0 EJAARN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccccc1F ZINC000006637453 564094734 /nfs/dbraw/zinc/09/47/34/564094734.db2.gz ADGWYZAXVIOGRE-JKSUJKDBSA-N 0 0 342.458 4.798 50 0 EJAARN COc1ccc(-c2nc(-c3ccc(-c4csc(C)n4)cc3)no2)cc1 ZINC000064669058 564095008 /nfs/dbraw/zinc/09/50/08/564095008.db2.gz QSZVYPXCGAQWOD-UHFFFAOYSA-N 0 0 349.415 4.844 50 0 EJAARN C[C@H](Sc1nc2ccccc2[nH]1)c1nnc(-c2cccs2)o1 ZINC000006649683 564095169 /nfs/dbraw/zinc/09/51/69/564095169.db2.gz RPMFAUHYNVHVKT-VIFPVBQESA-N 0 0 328.422 4.528 50 0 EJAARN Cc1ccc(-c2nc(C(=O)Nc3ccc(C)c(Cl)c3)cs2)n1C ZINC000064676586 564095195 /nfs/dbraw/zinc/09/51/95/564095195.db2.gz DAFVJJWOUDTNSA-UHFFFAOYSA-N 0 0 345.855 4.671 50 0 EJAARN COc1ccc(Nc2ccccc2NC(=O)c2cccc(F)c2)cc1 ZINC000006650457 564095226 /nfs/dbraw/zinc/09/52/26/564095226.db2.gz DULMLESTQOGTBS-UHFFFAOYSA-N 0 0 336.366 4.830 50 0 EJAARN CC1CCC(Nc2ccc(-c3nc(-c4ccccc4)no3)cn2)CC1 ZINC000064676754 564095227 /nfs/dbraw/zinc/09/52/27/564095227.db2.gz PLQKELCOCDKWBQ-UHFFFAOYSA-N 0 0 334.423 4.789 50 0 EJAARN O=C(NC1CCCCCC1)C1(Cc2nc3ccccc3[nH]2)CCCC1 ZINC000006648265 564095275 /nfs/dbraw/zinc/09/52/75/564095275.db2.gz FFSZBLCXEPJYNR-UHFFFAOYSA-N 0 0 339.483 4.505 50 0 EJAARN 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ZINC000007107717 564104946 /nfs/dbraw/zinc/10/49/46/564104946.db2.gz DRQHXORGHLQTHP-UHFFFAOYSA-N 0 0 332.758 4.781 50 0 EJAARN Cc1ccc2cc3cc(C(=O)N[C@@H](C)CCc4ccco4)oc3nc2c1 ZINC000065331023 564105317 /nfs/dbraw/zinc/10/53/17/564105317.db2.gz PDYRSDLRMONQBD-AWEZNQCLSA-N 0 0 348.402 4.634 50 0 EJAARN Cc1ccc(-n2ncc3c2NC(=O)C[C@H]3c2ccc(C(C)C)cc2)cc1 ZINC000065331616 564105470 /nfs/dbraw/zinc/10/54/70/564105470.db2.gz AHDIDMQKFFTXIO-IBGZPJMESA-N 0 0 345.446 4.778 50 0 EJAARN CC(=O)c1ccc(OCc2csc(-c3ccc(F)cc3)n2)cc1 ZINC000007191798 564105688 /nfs/dbraw/zinc/10/56/88/564105688.db2.gz VIZLCHMVUHEJSI-UHFFFAOYSA-N 0 0 327.380 4.731 50 0 EJAARN C[C@@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)NCc1ccccc1 ZINC000007224722 564105893 /nfs/dbraw/zinc/10/58/93/564105893.db2.gz PTYGXVZAYXFHLG-QGZVFWFLSA-N 0 0 346.430 4.596 50 0 EJAARN C[C@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)NCc1ccccc1 ZINC000007224719 564105901 /nfs/dbraw/zinc/10/59/01/564105901.db2.gz PTYGXVZAYXFHLG-KRWDZBQOSA-N 0 0 346.430 4.596 50 0 EJAARN CC(=O)c1ccc(C(=O)Nc2ccc(N3CCCCCC3)cc2)s1 ZINC000007239983 564105986 /nfs/dbraw/zinc/10/59/86/564105986.db2.gz NXIUVGQMPOKVLF-UHFFFAOYSA-N 0 0 342.464 4.583 50 0 EJAARN c1c(CSc2nnc(Cc3ccccc3)o2)noc1-c1ccccc1 ZINC000007290790 564106514 /nfs/dbraw/zinc/10/65/14/564106514.db2.gz QMMIQNQOHGHCRS-UHFFFAOYSA-N 0 0 349.415 4.608 50 0 EJAARN CCn1c2ccccc2c2cc(CN(C)C(=O)C3CCCC3)ccc21 ZINC000007314109 564106667 /nfs/dbraw/zinc/10/66/67/564106667.db2.gz SEWFQEFNNYOFNF-UHFFFAOYSA-N 0 0 334.463 4.963 50 0 EJAARN O=C(NC(c1ccccc1)c1ccccc1)c1ccc(F)cc1Cl ZINC000007308525 564106673 /nfs/dbraw/zinc/10/66/73/564106673.db2.gz WZNLUTTXNOVRLB-UHFFFAOYSA-N 0 0 339.797 4.999 50 0 EJAARN COc1ccc(N(C(=O)c2ccc(F)cc2Cl)[C@@H](C)C2CC2)cc1 ZINC000065565858 564107125 /nfs/dbraw/zinc/10/71/25/564107125.db2.gz QBIRFCGYSKPCOQ-LBPRGKRZSA-N 0 0 347.817 4.933 50 0 EJAARN O=C(Cc1ccc2c(c1)CCC2)Nc1ccccc1Cc1ccccc1 ZINC000007398647 564107752 /nfs/dbraw/zinc/10/77/52/564107752.db2.gz DPJVBHCKZULDRT-UHFFFAOYSA-N 0 0 341.454 4.947 50 0 EJAARN Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2ccccc2F)c1Cl ZINC000007402794 564107949 /nfs/dbraw/zinc/10/79/49/564107949.db2.gz ATBKLMXRYIWZCZ-UHFFFAOYSA-N 0 0 348.226 4.550 50 0 EJAARN COC[C@@H](C)Nc1nc(C2CC2)nc2scc(-c3ccccc3)c21 ZINC000065610131 564108299 /nfs/dbraw/zinc/10/82/99/564108299.db2.gz PRKCVZDFFWIDJY-GFCCVEGCSA-N 0 0 339.464 4.683 50 0 EJAARN Clc1nc2ccccc2cc1COc1ccc(-c2nnco2)cc1 ZINC000007441125 564108597 /nfs/dbraw/zinc/10/85/97/564108597.db2.gz DUAZYZRPNDYOLM-UHFFFAOYSA-N 0 0 337.766 4.517 50 0 EJAARN COc1ccc([C@H](Nc2ncnc3ccccc32)c2ccccc2)cc1 ZINC000170591711 564108822 /nfs/dbraw/zinc/10/88/22/564108822.db2.gz WZTTYVCMGOLYLG-OAQYLSRUSA-N 0 0 341.414 4.840 50 0 EJAARN Cc1nc2ccccc2nc1NC[C@H]1CCCO[C@H]1c1ccccc1 ZINC000170593762 564108986 /nfs/dbraw/zinc/10/89/86/564108986.db2.gz NAHQSVSQWIZWNM-XLIONFOSSA-N 0 0 333.435 4.518 50 0 EJAARN COc1ccc(-c2csc(-c3c(F)cccc3F)n2)c(OC)c1 ZINC000170597902 564109170 /nfs/dbraw/zinc/10/91/70/564109170.db2.gz KGFJUSJRGWHEEL-UHFFFAOYSA-N 0 0 333.359 4.773 50 0 EJAARN CCc1cnc(CNC(=O)c2ccccc2Nc2cccc(C)c2C)o1 ZINC000170598397 564109227 /nfs/dbraw/zinc/10/92/27/564109227.db2.gz NRJVPYYDPUSELV-UHFFFAOYSA-N 0 0 349.434 4.527 50 0 EJAARN Cc1ccc(-c2csc3ncnc(SC[C@@H]4CCCO4)c23)cc1 ZINC000007540169 564109966 /nfs/dbraw/zinc/10/99/66/564109966.db2.gz HRKQDLVWBIBUTG-AWEZNQCLSA-N 0 0 342.489 4.938 50 0 EJAARN CC[C@@H](O)c1nc2ccccc2n1CCCOc1c(C)cccc1C ZINC000007548933 564110283 /nfs/dbraw/zinc/11/02/83/564110283.db2.gz UEVGZCWTRVICBW-LJQANCHMSA-N 0 0 338.451 4.566 50 0 EJAARN CC[C@@H](O)c1nc2ccccc2n1CCCOc1cccc(C)c1C ZINC000007548857 564110322 /nfs/dbraw/zinc/11/03/22/564110322.db2.gz RGMWNJXJOKPUSZ-LJQANCHMSA-N 0 0 338.451 4.566 50 0 EJAARN Cc1cc(C(=O)Nc2ccc(C)c(OC(F)F)c2)c(C)n1C(C)C ZINC000170627001 564110581 /nfs/dbraw/zinc/11/05/81/564110581.db2.gz SJAUXBXUKMKQLH-UHFFFAOYSA-N 0 0 336.382 4.848 50 0 EJAARN Cc1ccc(CN(C)C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000009758083 564110690 /nfs/dbraw/zinc/11/06/90/564110690.db2.gz OMVIBPNNDMJAND-LJQANCHMSA-N 0 0 342.870 4.941 50 0 EJAARN Cc1cc(F)cc2[nH]c(C(=O)N3CCC[C@@]4(CC=CCC4)C3)cc21 ZINC000170629572 564110696 /nfs/dbraw/zinc/11/06/96/564110696.db2.gz OFGCTJACGPYDDX-FQEVSTJZSA-N 0 0 326.415 4.578 50 0 EJAARN CC1=Nc2c(c(=O)[nH]n2C2CCCCCC2)[C@@H](c2cccnc2)S1 ZINC000071284668 564110886 /nfs/dbraw/zinc/11/08/86/564110886.db2.gz SHVVHVHXHLTRLO-MRXNPFEDSA-N 0 0 342.468 4.765 50 0 EJAARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@@H](c2ccc3ncccc3c2)S1 ZINC000071285863 564110924 /nfs/dbraw/zinc/11/09/24/564110924.db2.gz VNCOPXDNIAOVPB-MRXNPFEDSA-N 0 0 338.436 4.604 50 0 EJAARN CSc1cccc(NC(=O)NCC23CC4CC(CC(C4)C2)C3)c1 ZINC000013320021 564111433 /nfs/dbraw/zinc/11/14/33/564111433.db2.gz NVMSGLLXSHLGPZ-UHFFFAOYSA-N 0 0 330.497 4.746 50 0 EJAARN CC[C@@H](NC(=O)Nc1ccc(OC)c(OC)c1)c1ccc(Cl)cc1 ZINC000013328972 564111572 /nfs/dbraw/zinc/11/15/72/564111572.db2.gz DEHMRHNQICQUMP-OAHLLOKOSA-N 0 0 348.830 4.630 50 0 EJAARN CCN(CC)c1ccc(C=[NH+][N-]c2ccc(C)c(Cl)c2)c(O)c1 ZINC000249833551 564111769 /nfs/dbraw/zinc/11/17/69/564111769.db2.gz PXKVHKUOIIIBQK-UHFFFAOYSA-N 0 0 331.847 4.646 50 0 EJAARN Cc1ccc([C@H](C)NC(=O)Nc2ccccc2Br)cc1 ZINC000013745475 564111986 /nfs/dbraw/zinc/11/19/86/564111986.db2.gz SAOIMBKLULCJSQ-LBPRGKRZSA-N 0 0 333.229 4.640 50 0 EJAARN CCCOC(=O)c1ccc(NC(=S)Nc2ccc(C)cc2C)cc1 ZINC000013796451 564112039 /nfs/dbraw/zinc/11/20/39/564112039.db2.gz QTCFCWUWMKEUMQ-UHFFFAOYSA-N 0 0 342.464 4.679 50 0 EJAARN COc1ccc(C)cc1[C@H](C)NC(=O)/C=C/c1ccc([C@@H]2C[C@H]2C)o1 ZINC000251150035 564112283 /nfs/dbraw/zinc/11/22/83/564112283.db2.gz HYCPIHNPNGVLPJ-JUKWXOASSA-N 0 0 339.435 4.611 50 0 EJAARN Cc1noc(C)c1C(=O)Nc1ccccc1-c1nc2ccccc2s1 ZINC000014604032 564112552 /nfs/dbraw/zinc/11/25/52/564112552.db2.gz SBDATXPPKFUXPU-UHFFFAOYSA-N 0 0 349.415 4.820 50 0 EJAARN C[C@@H](CNC(=O)C1c2ccccc2Oc2ccccc21)c1ccccc1 ZINC000014604996 564112553 /nfs/dbraw/zinc/11/25/53/564112553.db2.gz DDTDKMWFJOOOIH-INIZCTEOSA-N 0 0 343.426 4.844 50 0 EJAARN C[C@H](CNC(=O)C1c2ccccc2Oc2ccccc21)c1ccccc1 ZINC000014604997 564112571 /nfs/dbraw/zinc/11/25/71/564112571.db2.gz DDTDKMWFJOOOIH-MRXNPFEDSA-N 0 0 343.426 4.844 50 0 EJAARN Fc1ccccc1CSc1nccn2nc(-c3ccccc3)cc12 ZINC000016842527 564113823 /nfs/dbraw/zinc/11/38/23/564113823.db2.gz SKICYKDSBJBNNZ-UHFFFAOYSA-N 0 0 335.407 4.828 50 0 EJAARN O=C(NCCc1cccc2ccccc21)c1[nH]c2ccccc2c1Cl ZINC000089873229 564114599 /nfs/dbraw/zinc/11/45/99/564114599.db2.gz XITLDDCVOWRAIU-UHFFFAOYSA-N 0 0 348.833 4.947 50 0 EJAARN Cc1ccccc1-c1noc([C@@H](C)Oc2ccc(F)c(Cl)c2)n1 ZINC000076091490 564115540 /nfs/dbraw/zinc/11/55/40/564115540.db2.gz RFTFITBAFZTVQN-LLVKDONJSA-N 0 0 332.762 4.978 50 0 EJAARN COc1ccc(CSc2nnc(-c3cccs3)n2C2CC2)cc1 ZINC000014706106 564115794 /nfs/dbraw/zinc/11/57/94/564115794.db2.gz AUQGQAJXPQHMGE-UHFFFAOYSA-N 0 0 343.477 4.642 50 0 EJAARN FC(F)(F)c1cc(NC2CCCCCC2)nc(-c2ccncc2)n1 ZINC000170632560 564116269 /nfs/dbraw/zinc/11/62/69/564116269.db2.gz PIEDTSFGBXKHEX-UHFFFAOYSA-N 0 0 336.361 4.692 50 0 EJAARN CCCn1nc(NC(=O)c2ccc(C)cc2)c2cc3ccccc3nc21 ZINC000017248851 564116807 /nfs/dbraw/zinc/11/68/07/564116807.db2.gz GHINRVLOLYAFMG-UHFFFAOYSA-N 0 0 344.418 4.555 50 0 EJAARN Cc1cc(C)cc(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)c1 ZINC000003517695 564117141 /nfs/dbraw/zinc/11/71/41/564117141.db2.gz CSMVYVSOPQNMCC-UHFFFAOYSA-N 0 0 348.402 4.709 50 0 EJAARN CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1cccc(C)c1C)CO3 ZINC000002118758 564118218 /nfs/dbraw/zinc/11/82/18/564118218.db2.gz ASTSUUAYYJQZEY-UHFFFAOYSA-N 0 0 349.430 4.637 50 0 biogenic EJAARN CCc1ccc(N2COc3c(C)c4oc(=O)c(C)c(C)c4cc3C2)cc1 ZINC000002118116 564118242 /nfs/dbraw/zinc/11/82/42/564118242.db2.gz GXERIEFVAKVCDJ-UHFFFAOYSA-N 0 0 349.430 4.637 50 0 biogenic EJAARN C[C@@H](Nc1ccc(NC(=O)[C@H](C)c2ccccn2)cc1)c1ccccc1 ZINC000252481670 564119165 /nfs/dbraw/zinc/11/91/65/564119165.db2.gz CQFDISYUTQWOHM-IAGOWNOFSA-N 0 0 345.446 4.997 50 0 EJAARN COCc1ccc(NC(=O)Nc2ccc(-c3nccs3)cc2)cc1 ZINC000252482137 564119231 /nfs/dbraw/zinc/11/92/31/564119231.db2.gz CZMUDUOTOHBDFZ-UHFFFAOYSA-N 0 0 339.420 4.601 50 0 EJAARN Cc1nnc([C@H](C)NC(c2ccccc2C)c2ccccc2C)s1 ZINC000252486140 564119356 /nfs/dbraw/zinc/11/93/56/564119356.db2.gz HHXQQTGDZFDTBC-HNNXBMFYSA-N 0 0 337.492 4.904 50 0 EJAARN CO[C@@H](C)c1nsc(Oc2ccc(Sc3ccncc3)cc2)n1 ZINC000252500409 564119764 /nfs/dbraw/zinc/11/97/64/564119764.db2.gz SUXRUIKAECPICO-NSHDSACASA-N 0 0 345.449 4.584 50 0 EJAARN CC(C)c1nc([C@H](C)NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)cs1 ZINC000252510652 564120032 /nfs/dbraw/zinc/12/00/32/564120032.db2.gz BBUQAZZAZYJWQI-CQDKDKBSSA-N 0 0 348.899 4.901 50 0 EJAARN CCC[C@@H](C(=O)Nc1cnc2c(cnn2C(C)C)c1)c1ccccc1 ZINC000017526252 564120448 /nfs/dbraw/zinc/12/04/48/564120448.db2.gz XQGLNQJEOWQQLX-GOSISDBHSA-N 0 0 336.439 4.535 50 0 EJAARN CCC[C@H](C(=O)Nc1cnc2c(cnn2C(C)C)c1)c1ccccc1 ZINC000017526253 564120465 /nfs/dbraw/zinc/12/04/65/564120465.db2.gz XQGLNQJEOWQQLX-SFHVURJKSA-N 0 0 336.439 4.535 50 0 EJAARN Cc1cc(NC(=O)N2CCC[C@H]2c2ccc(C)cc2)n(C(C)(C)C)n1 ZINC000065787866 564120702 /nfs/dbraw/zinc/12/07/02/564120702.db2.gz VDNGGXNIGDCKBL-KRWDZBQOSA-N 0 0 340.471 4.624 50 0 EJAARN CSCc1ccc(C(=O)Nc2ccc(Br)cc2)cc1 ZINC000007609522 564120889 /nfs/dbraw/zinc/12/08/89/564120889.db2.gz PKQFBOXPMJWXPJ-UHFFFAOYSA-N 0 0 336.254 4.564 50 0 EJAARN O=C(CCc1c[nH]c2ccccc12)N1CCCSc2ccccc21 ZINC000007719158 564122202 /nfs/dbraw/zinc/12/22/02/564122202.db2.gz SZLOCKQFRIWTLD-UHFFFAOYSA-N 0 0 336.460 4.630 50 0 EJAARN Cc1c2cc(F)ccc2oc1C(=O)N(CC(F)(F)F)[C@@H](C)C1CC1 ZINC000007734627 564122373 /nfs/dbraw/zinc/12/23/73/564122373.db2.gz RPOSGAFTQUKFQD-JTQLQIEISA-N 0 0 343.320 4.683 50 0 EJAARN O[C@H](CNc1ncnc2sc(-c3ccccc3)cc21)c1ccccc1 ZINC000007735249 564122407 /nfs/dbraw/zinc/12/24/07/564122407.db2.gz QYBCERLWQCBYFT-QGZVFWFLSA-N 0 0 347.443 4.504 50 0 EJAARN Cc1cc2nc(Oc3ccc4ccncc4c3)c3ccccc3n2n1 ZINC000007737803 564122526 /nfs/dbraw/zinc/12/25/26/564122526.db2.gz ZVKCNUSMHYLMQB-UHFFFAOYSA-N 0 0 326.359 4.531 50 0 EJAARN Cc1cc2nc(N[C@@H]3CCCc4ccccc43)c3ccccc3n2n1 ZINC000007779757 564123101 /nfs/dbraw/zinc/12/31/01/564123101.db2.gz FGRUOTMOYIFDSE-GOSISDBHSA-N 0 0 328.419 4.680 50 0 EJAARN Cc1nc(-c2ccc(CNC(=O)c3ccc(C)c(C)c3)s2)cs1 ZINC000007820680 564124017 /nfs/dbraw/zinc/12/40/17/564124017.db2.gz DQSPWHNWYKCTPY-UHFFFAOYSA-N 0 0 342.489 4.727 50 0 EJAARN CCCCC(=O)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1 ZINC000002221418 564124042 /nfs/dbraw/zinc/12/40/42/564124042.db2.gz PMNHSTJEMCLNRO-UHFFFAOYSA-N 0 0 336.391 4.814 50 0 EJAARN Cc1cccc(-c2nnn3c2nc(NC2CCCC2)c2ccccc23)c1 ZINC000002692527 564125271 /nfs/dbraw/zinc/12/52/71/564125271.db2.gz DBDCNALBFKNNEQ-UHFFFAOYSA-N 0 0 343.434 4.607 50 0 EJAARN O=C(Nc1ccc(Cl)cc1F)c1csc(-c2cccs2)n1 ZINC000007920086 564125436 /nfs/dbraw/zinc/12/54/36/564125436.db2.gz IORXEQBUBVAZNE-UHFFFAOYSA-N 0 0 338.816 4.916 50 0 EJAARN C[C@H](Sc1ccc(F)c(F)c1)C(=O)Nc1ccc(Cl)cc1 ZINC000007927559 564125567 /nfs/dbraw/zinc/12/55/67/564125567.db2.gz UDTHRMPCOZGEGQ-VIFPVBQESA-N 0 0 327.783 4.738 50 0 EJAARN CCN(c1ccccc1)c1ncnc2c1ncn2-c1ccc(Cl)cc1 ZINC000019926026 564129107 /nfs/dbraw/zinc/12/91/07/564129107.db2.gz URLNSQRMJVKAAZ-UHFFFAOYSA-N 0 0 349.825 4.627 50 0 EJAARN FC(F)(F)c1cc(Br)c(Cl)c(Br)c1 ZINC000141178588 564129561 /nfs/dbraw/zinc/12/95/61/564129561.db2.gz CEMBOFGQZNNCJU-UHFFFAOYSA-N 0 0 338.348 4.884 50 0 EJAARN O=Cc1ccc(OCc2cccc(F)c2)c(Cc2cccc(F)c2)c1 ZINC000144836883 564129567 /nfs/dbraw/zinc/12/95/67/564129567.db2.gz VIFRWCOSLMTDSZ-UHFFFAOYSA-N 0 0 338.353 4.947 50 0 EJAARN O=C(c1ccc(Cl)cc1)N1CCC(=O)c2cc3ccccc3cc21 ZINC000004071059 564130248 /nfs/dbraw/zinc/13/02/48/564130248.db2.gz CAGPERBEPLUXOK-UHFFFAOYSA-N 0 0 335.790 4.726 50 0 EJAARN COc1cc(C)c(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)c(C)c1C ZINC000253420098 564131003 /nfs/dbraw/zinc/13/10/03/564131003.db2.gz LYBLSVDSRNHLDD-HOTGVXAUSA-N 0 0 345.389 4.641 50 0 EJAARN CCCN(CCOC)C(=O)c1ccc(-c2cc(C)ccc2Cl)cc1 ZINC000584896924 564131660 /nfs/dbraw/zinc/13/16/60/564131660.db2.gz MZWINJZTBNQHEN-UHFFFAOYSA-N 0 0 345.870 4.814 50 0 EJAARN CSc1c(F)cccc1C(=O)Nc1c(C)c(F)ccc1Cl ZINC000253433394 564131939 /nfs/dbraw/zinc/13/19/39/564131939.db2.gz WJPOTOFKUTYPOW-UHFFFAOYSA-N 0 0 327.783 4.901 50 0 EJAARN CCCOc1ccc(-c2nc3ccccc3c(N3CCCC3)n2)cc1 ZINC000002307536 564132117 /nfs/dbraw/zinc/13/21/17/564132117.db2.gz VNVMTCXBXGDAHP-UHFFFAOYSA-N 0 0 333.435 4.686 50 0 EJAARN CSc1ccccc1C(=O)N[C@@H](C)Cc1cc2ccccc2o1 ZINC000253472709 564132659 /nfs/dbraw/zinc/13/26/59/564132659.db2.gz OONORHSINXBDJC-ZDUSSCGKSA-N 0 0 325.433 4.516 50 0 EJAARN CO[C@H](CNC(=O)Nc1ccccc1Cl)c1cc2ccccc2o1 ZINC000253472774 564132664 /nfs/dbraw/zinc/13/26/64/564132664.db2.gz PIEUAYLPWSSHMM-QGZVFWFLSA-N 0 0 344.798 4.595 50 0 EJAARN CCCCCn1c(-c2ccccc2F)nc2nc3ccccc3nc21 ZINC000002410152 564134605 /nfs/dbraw/zinc/13/46/05/564134605.db2.gz ZCQFBTUMKWKKCT-UHFFFAOYSA-N 0 0 334.398 4.976 50 0 EJAARN CN(Cc1cocn1)[C@@H](c1cccnc1)c1ccc(Cl)cc1Cl ZINC000225465293 564135002 /nfs/dbraw/zinc/13/50/02/564135002.db2.gz VKJSJKSBKLQBGR-KRWDZBQOSA-N 0 0 348.233 4.598 50 0 EJAARN Cc1ccc(-n2ncc3c2ncnc3SCc2ccccc2C)cc1 ZINC000002444744 564135254 /nfs/dbraw/zinc/13/52/54/564135254.db2.gz CBXWZEJYIGMYDV-UHFFFAOYSA-N 0 0 346.459 4.725 50 0 EJAARN Cc1ccc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1 ZINC000007947038 564135483 /nfs/dbraw/zinc/13/54/83/564135483.db2.gz GLWCBQUXXACFSB-GOSISDBHSA-N 0 0 339.485 4.906 50 0 EJAARN O=C(NCCc1c[nH]c2ccccc12)c1cc2cc(Cl)ccc2o1 ZINC000012895627 564135714 /nfs/dbraw/zinc/13/57/14/564135714.db2.gz UZLKFGQNSASHGT-UHFFFAOYSA-N 0 0 338.794 4.540 50 0 biogenic EJAARN Cc1nc(-c2ccsc2)sc1C(=O)NCc1ccccc1Cl ZINC000007952303 564136103 /nfs/dbraw/zinc/13/61/03/564136103.db2.gz JNGNQEQWAUMTGE-UHFFFAOYSA-N 0 0 348.880 4.763 50 0 EJAARN CO[C@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)c1ccccc1 ZINC000078890806 564137347 /nfs/dbraw/zinc/13/73/47/564137347.db2.gz XZCGCOAVMHYRRE-FQEVSTJZSA-N 0 0 332.403 4.756 50 0 EJAARN Cc1noc(C)c1NC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000078996316 564137551 /nfs/dbraw/zinc/13/75/51/564137551.db2.gz GDVRZUMNRUMTAL-UHFFFAOYSA-N 0 0 344.317 4.614 50 0 EJAARN Cn1ccnc1-c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000079586945 564138248 /nfs/dbraw/zinc/13/82/48/564138248.db2.gz GXZQXGHEORQYIV-UHFFFAOYSA-N 0 0 346.217 4.646 50 0 EJAARN O=C(N[C@@H](c1ccsc1)c1cccs1)c1ccc(F)c(F)c1 ZINC000390826403 564138474 /nfs/dbraw/zinc/13/84/74/564138474.db2.gz KCOGRRUSALEPML-HNNXBMFYSA-N 0 0 335.400 4.607 50 0 EJAARN O=C(/C=C/c1cccs1)N[C@@H](c1ccsc1)c1cccs1 ZINC000390827084 564138501 /nfs/dbraw/zinc/13/85/01/564138501.db2.gz TVAXWZUQWPBSHT-JFDDCEBESA-N 0 0 331.487 4.790 50 0 EJAARN COc1ccc(CCC(=O)N2CCCC[C@@H]2CSC(C)(C)C)cc1 ZINC000390830672 564138647 /nfs/dbraw/zinc/13/86/47/564138647.db2.gz MPHGMXAWUHEEDT-QGZVFWFLSA-N 0 0 349.540 4.541 50 0 EJAARN O=C(NCc1ccc(F)cc1)N[C@@H](c1ccsc1)c1cccs1 ZINC000390831443 564138677 /nfs/dbraw/zinc/13/86/77/564138677.db2.gz RWBHWCRUEJBPHP-INIZCTEOSA-N 0 0 346.452 4.538 50 0 EJAARN O=C(NCCc1ccc(-c2ccoc2)s1)c1c(F)cccc1Cl ZINC000390831545 564138691 /nfs/dbraw/zinc/13/86/91/564138691.db2.gz SKXXBEOWPULOCD-UHFFFAOYSA-N 0 0 349.814 4.773 50 0 EJAARN CSc1cccc(C(=O)N2CCCC[C@@H]2CSC(C)(C)C)c1 ZINC000390832495 564138717 /nfs/dbraw/zinc/13/87/17/564138717.db2.gz ZSAVPDPFEQULRN-OAHLLOKOSA-N 0 0 337.554 4.935 50 0 EJAARN Cc1cc([C@@H](C)NCc2csc(-c3ccccn3)n2)c(C)s1 ZINC000124999733 564139168 /nfs/dbraw/zinc/13/91/68/564139168.db2.gz HKWDNUZXCFRMJP-GFCCVEGCSA-N 0 0 329.494 4.734 50 0 EJAARN CCc1cnc(CNc2ccc(NC(=O)OC(C)(C)C)cc2C)o1 ZINC000095414904 564139755 /nfs/dbraw/zinc/13/97/55/564139755.db2.gz GAYQKBCNDGKZNA-UHFFFAOYSA-N 0 0 331.416 4.505 50 0 EJAARN O=[S@@](Cc1cccc(NCc2cccc(O)c2)c1)C1CCCCC1 ZINC000095429127 564140300 /nfs/dbraw/zinc/14/03/00/564140300.db2.gz PKYUYBGFXQHFSK-XMMPIXPASA-N 0 0 343.492 4.586 50 0 EJAARN C[C@H](NCc1ccc(OC(F)F)c(F)c1)c1csc(C2CC2)n1 ZINC000095437372 564140429 /nfs/dbraw/zinc/14/04/29/564140429.db2.gz JCFBFZQAUJDKHM-VIFPVBQESA-N 0 0 342.386 4.612 50 0 EJAARN CC(C)n1ncc2c1NC(=O)CS[C@H]2c1ccc(F)cc1Cl ZINC000095476302 564141449 /nfs/dbraw/zinc/14/14/49/564141449.db2.gz QFXWHZKWNPQFKU-AWEZNQCLSA-N 0 0 339.823 4.681 50 0 EJAARN COC(=O)c1sc2ccc(OCc3ccccc3)cc2c1Cl ZINC000095630765 564141746 /nfs/dbraw/zinc/14/17/46/564141746.db2.gz WQQWWENFXLTIBB-UHFFFAOYSA-N 0 0 332.808 4.920 50 0 EJAARN CC(C)(C)[C@H](NCc1ccc(Br)s1)C(F)(F)F ZINC000095962969 564142823 /nfs/dbraw/zinc/14/28/23/564142823.db2.gz NLVBDTPVWFPVGX-VIFPVBQESA-N 0 0 330.213 4.577 50 0 EJAARN Cc1cc(NC(=O)OC(C)(C)C)ccc1NCc1nccn1C(C)C ZINC000095965628 564142936 /nfs/dbraw/zinc/14/29/36/564142936.db2.gz HMVNSYWBVDVHPI-UHFFFAOYSA-N 0 0 344.459 4.732 50 0 EJAARN O=C(Nc1cccc(OCCF)c1)c1cc(Cl)sc1Cl ZINC000095965910 564142974 /nfs/dbraw/zinc/14/29/74/564142974.db2.gz NQVVODZJZUDABJ-UHFFFAOYSA-N 0 0 334.199 4.656 50 0 EJAARN Cc1noc(C)c1[C@@H](C)NCc1cc(C(F)(F)F)ccc1Cl ZINC000095973524 564143475 /nfs/dbraw/zinc/14/34/75/564143475.db2.gz WFRJWBAPWJUMKJ-MRVPVSSYSA-N 0 0 332.753 4.814 50 0 EJAARN CCc1cc(CN(C)Cc2nc3ccccc3s2)c(C)cc1O ZINC000095996987 564144292 /nfs/dbraw/zinc/14/42/92/564144292.db2.gz GHRKDWXEHIAYLA-UHFFFAOYSA-N 0 0 326.465 4.505 50 0 EJAARN CC(C)(C)CC(=O)N1CCC(Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000096009180 564144640 /nfs/dbraw/zinc/14/46/40/564144640.db2.gz QCCRSWAJFQRWNQ-UHFFFAOYSA-N 0 0 343.298 4.833 50 0 EJAARN CCN(Cc1nc2c(nccc2C)[nH]1)[C@@H](C)c1cc2ccccc2o1 ZINC000096012935 564144731 /nfs/dbraw/zinc/14/47/31/564144731.db2.gz YLEZQZSHKHRLSC-AWEZNQCLSA-N 0 0 334.423 4.596 50 0 EJAARN C[C@@H]1CCC[C@@H](C)N1CC(=O)OC(c1ccccc1)c1ccccc1 ZINC000096027616 564145021 /nfs/dbraw/zinc/14/50/21/564145021.db2.gz WGPIBJKFCPLPKD-QZTJIDSGSA-N 0 0 337.463 4.582 50 0 EJAARN O=C(N[C@H]1CCCc2c3cc(F)ccc3[nH]c21)c1cccc2[nH]ccc21 ZINC000096114801 564145415 /nfs/dbraw/zinc/14/54/15/564145415.db2.gz YFGWXZBTYKGDAE-IBGZPJMESA-N 0 0 347.393 4.596 50 0 biogenic EJAARN Cc1c(Cl)cccc1NC(=O)N1Cc2cccn2-c2ccccc21 ZINC000021533954 564146167 /nfs/dbraw/zinc/14/61/67/564146167.db2.gz KUSLSJUZBFPIFK-UHFFFAOYSA-N 0 0 337.810 4.991 50 0 EJAARN COc1ccc2[nH]cc([C@H](CC(=O)Nc3ccccc3)C(C)C)c2c1 ZINC000096276309 564146263 /nfs/dbraw/zinc/14/62/63/564146263.db2.gz NTOWMABTPBBDDP-QGZVFWFLSA-N 0 0 336.435 4.945 50 0 EJAARN CC(C)CNC(=O)C[C@H](c1c[nH]c2ccccc21)c1ccccc1F ZINC000096276823 564146283 /nfs/dbraw/zinc/14/62/83/564146283.db2.gz NKNCMISKQFGWDB-KRWDZBQOSA-N 0 0 338.426 4.601 50 0 EJAARN Cc1ccc(-c2noc([C@@H](NC(=O)CC(C)C)C(C)C)n2)cc1Cl ZINC000096293649 564146486 /nfs/dbraw/zinc/14/64/86/564146486.db2.gz DYXXJIGVGAWUNC-INIZCTEOSA-N 0 0 349.862 4.558 50 0 EJAARN Cc1ccc(-c2noc([C@H](NC(=O)CC(C)C)C(C)C)n2)cc1Cl ZINC000096293648 564146503 /nfs/dbraw/zinc/14/65/03/564146503.db2.gz DYXXJIGVGAWUNC-MRXNPFEDSA-N 0 0 349.862 4.558 50 0 EJAARN O=C(/C=C\c1cnc2ccccc2n1)Nc1ccc(Cl)c(Cl)c1 ZINC000096298597 564146637 /nfs/dbraw/zinc/14/66/37/564146637.db2.gz XNBPZWKTHHBWNQ-VURMDHGXSA-N 0 0 344.201 4.589 50 0 EJAARN Nc1c2cc3c(nc2sc1C(=O)c1ccc(Cl)s1)CCCC3 ZINC000096336473 564146776 /nfs/dbraw/zinc/14/67/76/564146776.db2.gz ZXOQFQWKEQDSTK-UHFFFAOYSA-N 0 0 348.880 4.703 50 0 EJAARN CC(C)c1noc(-c2ccccc2NC(=O)c2ccc(Cl)cc2)n1 ZINC000096346603 564146892 /nfs/dbraw/zinc/14/68/92/564146892.db2.gz IERZIDDDNKDSRW-UHFFFAOYSA-N 0 0 341.798 4.766 50 0 EJAARN CCc1oc2ccccc2c1/C=C\C(=O)N1CCC[C@@H]1c1ccncc1 ZINC000096401497 564147115 /nfs/dbraw/zinc/14/71/15/564147115.db2.gz CJCJSVASBNAVDA-ZBTAVZRMSA-N 0 0 346.430 4.767 50 0 EJAARN COc1ccc(C)cc1[C@H](C)NC(=O)/C=C\c1ccc([C@@H]2C[C@@H]2C)o1 ZINC000096758971 564148957 /nfs/dbraw/zinc/14/89/57/564148957.db2.gz HYCPIHNPNGVLPJ-UVIDVKJISA-N 0 0 339.435 4.611 50 0 EJAARN C[C@@H](Nc1nc(N2CCCCC2)nc2ccccc21)c1ccccc1 ZINC000096901208 564148971 /nfs/dbraw/zinc/14/89/71/564148971.db2.gz IVHLLLANKSUTQN-MRXNPFEDSA-N 0 0 332.451 4.793 50 0 EJAARN Cc1cc(C)cc(NC(=O)CSCC(=O)c2ccc(Cl)cc2)c1 ZINC000097000237 564149116 /nfs/dbraw/zinc/14/91/16/564149116.db2.gz UXRUNLBAHXHRBL-UHFFFAOYSA-N 0 0 347.867 4.511 50 0 EJAARN Cc1cccc([C@H]2CC(c3ccco3)=NN2C(=O)c2ccccc2F)c1 ZINC000097165243 564149501 /nfs/dbraw/zinc/14/95/01/564149501.db2.gz DGCXXHLPKIRZDI-LJQANCHMSA-N 0 0 348.377 4.719 50 0 EJAARN COc1cccc(NC(=O)N2CCS[C@H]2c2ccccc2Cl)c1 ZINC000028232350 564150775 /nfs/dbraw/zinc/15/07/75/564150775.db2.gz UDCZHJZKOPWMLH-INIZCTEOSA-N 0 0 348.855 4.628 50 0 EJAARN O=C(Nc1c(-c2ccccc2)nc2sccn21)OCc1ccccc1 ZINC000028294717 564150950 /nfs/dbraw/zinc/15/09/50/564150950.db2.gz ZGHXFOSWNCIEJS-UHFFFAOYSA-N 0 0 349.415 4.812 50 0 EJAARN Cc1cc(C)c(C(=O)CSc2nnc(-c3ccccc3)o2)cc1C ZINC000002617832 564151153 /nfs/dbraw/zinc/15/11/53/564151153.db2.gz QDFUMIDCDFOSLA-UHFFFAOYSA-N 0 0 338.432 4.637 50 0 EJAARN C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)C1CC1 ZINC000002625077 564151316 /nfs/dbraw/zinc/15/13/16/564151316.db2.gz AOOVBRQJOILBFS-ZDUSSCGKSA-N 0 0 333.884 4.771 50 0 EJAARN O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1ccccn1 ZINC000002627722 564151401 /nfs/dbraw/zinc/15/14/01/564151401.db2.gz VHDVFUFDKJRXJX-UHFFFAOYSA-N 0 0 347.399 4.736 50 0 EJAARN CSc1cccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 ZINC000002630277 564151432 /nfs/dbraw/zinc/15/14/32/564151432.db2.gz YUEUCGSLYQIZPP-UHFFFAOYSA-N 0 0 335.856 4.858 50 0 EJAARN Cc1ccc(CN2C(=O)c3ccccc3N[C@@H]2C2CCCCC2)cc1 ZINC000002631626 564151441 /nfs/dbraw/zinc/15/14/41/564151441.db2.gz YDRUENLMTHNUPN-NRFANRHFSA-N 0 0 334.463 4.969 50 0 EJAARN CCOc1ccc(CC(=O)Nc2ccc(SC(F)F)cc2)cc1 ZINC000002632242 564151510 /nfs/dbraw/zinc/15/15/10/564151510.db2.gz VLFMIFDRUGPSEZ-UHFFFAOYSA-N 0 0 337.391 4.581 50 0 EJAARN COc1ccc(CC(=O)Nc2cccc(Oc3ccccc3)c2)cc1 ZINC000002634572 564151530 /nfs/dbraw/zinc/15/15/30/564151530.db2.gz NYOJVWDPGMIRLJ-UHFFFAOYSA-N 0 0 333.387 4.669 50 0 EJAARN Cc1ccc(C(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1 ZINC000002633570 564151532 /nfs/dbraw/zinc/15/15/32/564151532.db2.gz SBDDTOZZCDCALH-UHFFFAOYSA-N 0 0 342.394 4.606 50 0 EJAARN Cc1cc(C)cc(Nc2nc3ccccc3c(N3CCCCC3)n2)c1 ZINC000002633440 564151536 /nfs/dbraw/zinc/15/15/36/564151536.db2.gz WVSRYLQBCCNKSC-UHFFFAOYSA-N 0 0 332.451 4.981 50 0 EJAARN CC(C)c1ccc(OCc2ccc(C(=O)N3CCC[C@@H](C)C3)o2)cc1 ZINC000028576363 564151645 /nfs/dbraw/zinc/15/16/45/564151645.db2.gz IYRLIPJJIXQWOI-MRXNPFEDSA-N 0 0 341.451 4.854 50 0 EJAARN Cc1ccc(S[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1C ZINC000002641301 564151687 /nfs/dbraw/zinc/15/16/87/564151687.db2.gz SVQZOIFGMATRHM-CVEARBPZSA-N 0 0 325.477 4.762 50 0 EJAARN CCc1nc2ccccc2c(C(=O)Nc2ccc(F)c(F)c2)c1C ZINC000002643308 564151714 /nfs/dbraw/zinc/15/17/14/564151714.db2.gz GYVIXNKRFKAZIC-UHFFFAOYSA-N 0 0 326.346 4.636 50 0 EJAARN CCCc1ccc(C(=O)[C@@H](C)Sc2ccc(NC(C)=O)cc2)cc1 ZINC000002642605 564151743 /nfs/dbraw/zinc/15/17/43/564151743.db2.gz SAASXDLDJOQVMB-CQSZACIVSA-N 0 0 341.476 4.961 50 0 EJAARN c1sc(NC[C@@H]2CCCO2)nc1-c1ccc2c(c1)-c1ccccc1C2 ZINC000002647243 564151831 /nfs/dbraw/zinc/15/18/31/564151831.db2.gz FZWPUGASGOZZML-KRWDZBQOSA-N 0 0 348.471 4.972 50 0 EJAARN O=C(Nc1cn(-c2ccccc2)nc1-c1cccs1)c1ccccc1 ZINC000002647747 564151837 /nfs/dbraw/zinc/15/18/37/564151837.db2.gz MKAAFJPJCXCCQU-UHFFFAOYSA-N 0 0 345.427 4.853 50 0 EJAARN O=C(Nc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1 ZINC000002647753 564151856 /nfs/dbraw/zinc/15/18/56/564151856.db2.gz UUVRLWUZZUEUAS-UHFFFAOYSA-N 0 0 339.398 4.792 50 0 aggregator EJAARN COc1cccc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(C)c3n2)c1 ZINC000002741117 564152402 /nfs/dbraw/zinc/15/24/02/564152402.db2.gz SYRIIHFPPBLBQW-UHFFFAOYSA-N 0 0 347.340 4.540 50 0 EJAARN CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1 ZINC000002764204 564152526 /nfs/dbraw/zinc/15/25/26/564152526.db2.gz JJGRXKCRMIXEAB-HNNXBMFYSA-N 0 0 339.435 4.593 50 0 EJAARN COc1ccccc1[C@H]1C[C@H](c2ccc(C(C)C)cc2)Nc2ncnn21 ZINC000002919422 564153035 /nfs/dbraw/zinc/15/30/35/564153035.db2.gz DNVYOFNGJIIWIQ-RTBURBONSA-N 0 0 348.450 4.556 50 0 EJAARN Cc1ccc(CC(=O)N(C)C(c2ccccc2)c2ccccc2)s1 ZINC000057200891 564153402 /nfs/dbraw/zinc/15/34/02/564153402.db2.gz RECLOZZNJPUREX-UHFFFAOYSA-N 0 0 335.472 4.847 50 0 EJAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000057293359 564153498 /nfs/dbraw/zinc/15/34/98/564153498.db2.gz BTVBIDFWUVAWBZ-WCQYABFASA-N 0 0 342.389 4.677 50 0 EJAARN CC(C)CCNC(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000057344743 564153575 /nfs/dbraw/zinc/15/35/75/564153575.db2.gz JDPAQHCQSBDKIC-OTXOEQGISA-N 0 0 325.496 4.687 50 0 EJAARN CCC(CC)C(=O)Nc1cccc(-c2nc3cccnc3s2)c1 ZINC000002961491 564153831 /nfs/dbraw/zinc/15/38/31/564153831.db2.gz OSLSOKIKXASWMF-UHFFFAOYSA-N 0 0 325.437 4.733 50 0 EJAARN Cc1cc(C)c(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)c(C)c1 ZINC000057412184 564154044 /nfs/dbraw/zinc/15/40/44/564154044.db2.gz VUBBWAFLTFCRSX-UHFFFAOYSA-N 0 0 339.826 4.908 50 0 EJAARN Cc1cccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)c1C ZINC000057412202 564154083 /nfs/dbraw/zinc/15/40/83/564154083.db2.gz LTUBFPZTYAFLSP-UHFFFAOYSA-N 0 0 325.799 4.599 50 0 EJAARN Cc1cccc(C)c1NC(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC000057412486 564154102 /nfs/dbraw/zinc/15/41/02/564154102.db2.gz ZKHTXGIRPREECJ-UHFFFAOYSA-N 0 0 325.799 4.599 50 0 EJAARN CCCCc1cc(=O)oc2c(C)c(OC(=O)c3ccccc3)ccc12 ZINC000002995077 564154291 /nfs/dbraw/zinc/15/42/91/564154291.db2.gz PBFZYUTUWNUVHM-UHFFFAOYSA-N 0 0 336.387 4.663 50 0 EJAARN C[C@H](CNC(=O)Nc1ccccc1)CSc1ccc(Cl)cc1 ZINC000003027236 564154487 /nfs/dbraw/zinc/15/44/87/564154487.db2.gz DQTHBWXHGPWASY-CYBMUJFWSA-N 0 0 334.872 4.890 50 0 EJAARN C[C@H]1CCCC[C@H]1NC(=O)CCSCc1ccccc1Cl ZINC000003031993 564154531 /nfs/dbraw/zinc/15/45/31/564154531.db2.gz ZIDJGIVMFSJGFT-XJKSGUPXSA-N 0 0 325.905 4.658 50 0 EJAARN Cc1nc(C(F)(F)F)c(C(=O)N[C@@H](C)c2ccc(Cl)cc2)s1 ZINC000003047037 564154649 /nfs/dbraw/zinc/15/46/49/564154649.db2.gz YKCSZJDOGLOBFD-ZETCQYMHSA-N 0 0 348.777 4.615 50 0 EJAARN Cc1nnc([C@H](C)Nc2cccc(CO[C@H]3CCC[C@@H](C)C3)c2)o1 ZINC000230141432 564154882 /nfs/dbraw/zinc/15/48/82/564154882.db2.gz WJNPRXMYDZXCND-GLJUWKHASA-N 0 0 329.444 4.646 50 0 EJAARN Cc1ccc(NC(=O)c2ccc(CSc3ccccc3)cc2)nc1 ZINC000057564825 564154999 /nfs/dbraw/zinc/15/49/99/564154999.db2.gz DTVQQLZILGILJO-UHFFFAOYSA-N 0 0 334.444 4.935 50 0 EJAARN O=C(NCCSc1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000003128586 564155350 /nfs/dbraw/zinc/15/53/50/564155350.db2.gz TVAQEPLGMJAGMP-UHFFFAOYSA-N 0 0 326.248 4.516 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347.443 4.613 50 0 EJAARN O=C(Nc1cccnc1)c1ccc(-c2nc3ccccc3s2)s1 ZINC000008436672 564165291 /nfs/dbraw/zinc/16/52/91/564165291.db2.gz OTFCVLFIJUHXTI-UHFFFAOYSA-N 0 0 337.429 4.672 50 0 EJAARN Cc1ccc(C)c(CSc2nc3ccsc3c(=O)n2C2CC2)c1 ZINC000067259744 564165482 /nfs/dbraw/zinc/16/54/82/564165482.db2.gz ADSKOAZUGHOQIP-UHFFFAOYSA-N 0 0 342.489 4.702 50 0 EJAARN CC(=O)c1cccc(NC(=O)c2ccsc2-n2c(C)ccc2C)c1 ZINC000008508653 564165490 /nfs/dbraw/zinc/16/54/90/564165490.db2.gz GNSBDIOONOWHAQ-UHFFFAOYSA-N 0 0 338.432 4.611 50 0 EJAARN Cn1c(-c2nnc(-c3ccco3)o2)ccc1-c1cccc(Cl)c1 ZINC000067299932 564165579 /nfs/dbraw/zinc/16/55/79/564165579.db2.gz BANKHBWNOCZTAQ-UHFFFAOYSA-N 0 0 325.755 4.656 50 0 EJAARN Cc1ccc(C)c(NC(=O)[C@H](C)N(C)Cc2c(F)cccc2Cl)c1 ZINC000008533953 564165630 /nfs/dbraw/zinc/16/56/30/564165630.db2.gz SZVKIWLFHAZSQI-AWEZNQCLSA-N 0 0 348.849 4.555 50 0 EJAARN CC(C)Oc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 ZINC000008569196 564165728 /nfs/dbraw/zinc/16/57/28/564165728.db2.gz 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COc1ccccc1NC(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C ZINC000040074774 564167923 /nfs/dbraw/zinc/16/79/23/564167923.db2.gz OFYPQXXCUKGPQV-MRXNPFEDSA-N 0 0 348.446 4.975 50 0 EJAARN C[C@H](Nc1ccc2oc(C(C)(C)C)nc2c1)c1nc(C(C)(C)C)no1 ZINC000040086316 564167958 /nfs/dbraw/zinc/16/79/58/564167958.db2.gz YKDXIRNYPMLVCS-NSHDSACASA-N 0 0 342.443 4.979 50 0 EJAARN Cc1c(Cl)c(CN2CCC[C@H]2c2cccn2C)nc2ccccc12 ZINC000008945589 564168144 /nfs/dbraw/zinc/16/81/44/564168144.db2.gz VYWSSKWDBADZJP-IBGZPJMESA-N 0 0 339.870 4.872 50 0 EJAARN CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc2cccnc2c1 ZINC000040286552 564168663 /nfs/dbraw/zinc/16/86/63/564168663.db2.gz RFHFFYWIFPKXMT-FQEVSTJZSA-N 0 0 349.821 4.586 50 0 EJAARN CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc2[nH]ccc2c1 ZINC000069419480 564169346 /nfs/dbraw/zinc/16/93/46/564169346.db2.gz WRFUYHCIUSIOCV-MRXNPFEDSA-N 0 0 325.437 4.771 50 0 EJAARN O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@@H](C(F)(F)F)C1 ZINC000069420564 564169381 /nfs/dbraw/zinc/16/93/81/564169381.db2.gz 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/nfs/dbraw/zinc/17/18/30/564171830.db2.gz HUQJKJZBVWZBSI-MRXNPFEDSA-N 0 0 349.478 4.576 50 0 EJAARN O=C(Nc1ccccc1)N(Cc1ccc(Cl)cc1)c1ccccn1 ZINC000009251032 564171896 /nfs/dbraw/zinc/17/18/96/564171896.db2.gz FNXRBLZZZRUARH-UHFFFAOYSA-N 0 0 337.810 4.974 50 0 EJAARN Cc1ccc(O)c(-c2n[nH]cc2C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000009271258 564172201 /nfs/dbraw/zinc/17/22/01/564172201.db2.gz LUPAHJVXGLNRNT-UHFFFAOYSA-N 0 0 334.419 4.619 50 0 EJAARN O=[S@@](Cc1cc(-c2ccccc2)on1)Cc1c(F)cccc1Cl ZINC000069817360 564172372 /nfs/dbraw/zinc/17/23/72/564172372.db2.gz VGYLVXFAIXWACY-HSZRJFAPSA-N 0 0 349.814 4.583 50 0 EJAARN CC1CCC2(CCc3cc4c(cc3O2)oc(=O)c2c4CCCC2)CC1 ZINC000009341218 564172867 /nfs/dbraw/zinc/17/28/67/564172867.db2.gz TZMPDVFTLNDKJS-UHFFFAOYSA-N 0 0 338.447 4.946 50 0 EJAARN O=C(Cc1csc(-c2ccsc2)n1)Nc1ccccc1Cl ZINC000009364336 564172945 /nfs/dbraw/zinc/17/29/45/564172945.db2.gz CRVQAVJTMXUKNL-UHFFFAOYSA-N 0 0 334.853 4.706 50 0 EJAARN Clc1ccc(C2=N[C@@H]3N=C(c4ccccc4)S[C@@H]3S2)cc1 ZINC000041097528 564173194 /nfs/dbraw/zinc/17/31/94/564173194.db2.gz APJAYBKWRXQIPW-XJKSGUPXSA-N 0 0 330.865 4.679 50 0 EJAARN Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1cnc2ccccc2c1 ZINC000070006366 564173212 /nfs/dbraw/zinc/17/32/12/564173212.db2.gz MIIRRDDFGVXVMY-FQEVSTJZSA-N 0 0 331.419 4.912 50 0 EJAARN Cc1cccc(C[S@@](=O)Cc2coc(-c3ccccc3Cl)n2)c1 ZINC000070040377 564173522 /nfs/dbraw/zinc/17/35/22/564173522.db2.gz HCPCRCVSUQEXNL-QHCPKHFHSA-N 0 0 345.851 4.752 50 0 EJAARN Cc1nc(-c2c(F)cccc2F)sc1C(=O)Nc1ccccc1 ZINC000041303244 564173716 /nfs/dbraw/zinc/17/37/16/564173716.db2.gz VIWJBWPJZHPMBF-UHFFFAOYSA-N 0 0 330.359 4.649 50 0 EJAARN COc1ccc(NC(=O)c2cc(Cl)c[nH]2)cc1Cc1ccccc1 ZINC000009499092 564173906 /nfs/dbraw/zinc/17/39/06/564173906.db2.gz ZZBAXUVTMBKNID-UHFFFAOYSA-N 0 0 340.810 4.520 50 0 EJAARN CCC[C@@H]1c2cccn2CCN1C(=O)Nc1cccc(Cl)c1C ZINC000009528152 564174026 /nfs/dbraw/zinc/17/40/26/564174026.db2.gz AJGXAHAIPOQZCV-QGZVFWFLSA-N 0 0 331.847 4.839 50 0 EJAARN Cc1cccc(-c2ocnc2C(=O)Nc2cc(Cl)ccc2C)c1 ZINC000009527338 564174037 /nfs/dbraw/zinc/17/40/37/564174037.db2.gz WYKDFVUQQHYRRB-UHFFFAOYSA-N 0 0 326.783 4.864 50 0 EJAARN Cc1ccc2n1CCN(C(=O)Nc1cccc(C)c1C)[C@@H]2C(C)C ZINC000009528329 564174059 /nfs/dbraw/zinc/17/40/59/564174059.db2.gz DNLZHIKYRMPMIK-LJQANCHMSA-N 0 0 325.456 4.658 50 0 EJAARN COc1ccccc1-c1nc(-c2[nH]c(C)c(C(C)=O)c2C)cs1 ZINC000041863547 564174439 /nfs/dbraw/zinc/17/44/39/564174439.db2.gz WGZLVQXFIOAESO-UHFFFAOYSA-N 0 0 326.421 4.633 50 0 EJAARN Cc1cccc(/N=c2\scc(-c3cccs3)n2CCCO)c1C ZINC000010187305 564175118 /nfs/dbraw/zinc/17/51/18/564175118.db2.gz JXWXZBHSIUBYEU-HNENSFHCSA-N 0 0 344.505 4.510 50 0 EJAARN O=C(CCC(=O)c1ccc(Cl)s1)NC1(c2ccccc2)CCC1 ZINC000042689258 564175140 /nfs/dbraw/zinc/17/51/40/564175140.db2.gz GSWQNMZOUAQEHJ-UHFFFAOYSA-N 0 0 347.867 4.560 50 0 EJAARN CCOCc1ccccc1NC(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000077282293 564176709 /nfs/dbraw/zinc/17/67/09/564176709.db2.gz SEHUDSHUZNAMAT-GOSISDBHSA-N 0 0 342.439 4.965 50 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50 0 EJAARN Cc1ccc(NC(=O)Nc2cc(F)ccc2F)c(Br)c1 ZINC000051354446 214090099 /nfs/dbraw/zinc/09/00/99/214090099.db2.gz XXODRWOJRYOSDZ-UHFFFAOYSA-N 0 0 341.155 4.680 50 0 EJAARN COc1ccc(NC(=O)Nc2ccc(Br)c(C)c2)c(C)c1 ZINC000051355934 214090278 /nfs/dbraw/zinc/09/02/78/214090278.db2.gz JGOQYFKIUGHELA-UHFFFAOYSA-N 0 0 349.228 4.719 50 0 EJAARN O=C(Nc1ccc(Br)cc1F)Nc1cc(F)ccc1F ZINC000051354431 214090360 /nfs/dbraw/zinc/09/03/60/214090360.db2.gz DAJCFKAZQORJCX-UHFFFAOYSA-N 0 0 345.118 4.510 50 0 EJAARN CCc1cccc(C)c1Nc1c(-c2cccc(O)c2)nc2cnccn21 ZINC000004733472 210264242 /nfs/dbraw/zinc/26/42/42/210264242.db2.gz CODMSXYOMPDDMC-UHFFFAOYSA-N 0 0 344.418 4.716 50 0 EJAARN CCOC(=O)c1oc2ccc3c(c2c1C)C(=O)CC1(CCCCC1)O3 ZINC000006751168 201694503 /nfs/dbraw/zinc/69/45/03/201694503.db2.gz JFUQOMHIUWMMDW-UHFFFAOYSA-N 0 0 342.391 4.586 50 0 EJAARN CC(C)Oc1ccc(NC(=O)c2cc(-c3ccccc3)no2)c(F)c1 ZINC000052020637 214113149 /nfs/dbraw/zinc/11/31/49/214113149.db2.gz WWGOJYKLHTUEBF-UHFFFAOYSA-N 0 0 340.354 4.520 50 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FYLCXAOODCSXFE-RIYZIHGNSA-N 0 0 349.864 4.946 50 0 EJAARN CCCOc1ccc(C(=O)Nc2ccccc2Cl)cc1OCC ZINC000004682246 210246538 /nfs/dbraw/zinc/24/65/38/210246538.db2.gz GCZWGKSLFRXGSD-UHFFFAOYSA-N 0 0 333.815 4.780 50 0 EJAARN O=C(Nc1ccccc1COc1ccccc1)c1ccc2cc[nH]c2c1 ZINC000056003116 214352848 /nfs/dbraw/zinc/35/28/48/214352848.db2.gz RDNYLOMQEOFNBK-UHFFFAOYSA-N 0 0 342.398 4.999 50 0 EJAARN CN(C(=O)c1cc(Br)ccc1Cl)c1ccccc1F ZINC000050009496 214041016 /nfs/dbraw/zinc/04/10/16/214041016.db2.gz MCLPBDVITHRNJT-UHFFFAOYSA-N 0 0 342.595 4.518 50 0 EJAARN Cc1ccc(NC(=O)[C@@H](c2ccc(Cl)cc2)N2CCCCC2)cc1 ZINC000057049687 214403078 /nfs/dbraw/zinc/40/30/78/214403078.db2.gz XRXSAOYZUCDCSA-LJQANCHMSA-N 0 0 342.870 4.814 50 0 EJAARN COc1ccc(-c2cn3cc(-c4cccc(Cl)c4)n(C)c3n2)cc1 ZINC000004678333 210244652 /nfs/dbraw/zinc/24/46/52/210244652.db2.gz JTOHIYSTESQVHS-UHFFFAOYSA-N 0 0 337.810 4.669 50 0 EJAARN CC(=O)N(c1nc(CN2CCCC[C@H]2C)cs1)c1ccc(C)cc1 ZINC000049982708 214038788 /nfs/dbraw/zinc/03/87/88/214038788.db2.gz NSWLZHZDEQLQJD-OAHLLOKOSA-N 0 0 343.496 4.511 50 0 EJAARN Cc1cc(C)c(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)c(C)c1 ZINC000057412463 214426085 /nfs/dbraw/zinc/42/60/85/214426085.db2.gz GKPLKAYXJJQUDZ-UHFFFAOYSA-N 0 0 339.826 4.908 50 0 EJAARN COc1cc2c(cc1OCc1ccccc1)C(SC)=NC(C)(C)C2 ZINC000004672184 210243455 /nfs/dbraw/zinc/24/34/55/210243455.db2.gz QPTLDORADHNXHE-UHFFFAOYSA-N 0 0 341.476 4.719 50 0 EJAARN Cc1ccc(Nc2nc(C(=O)N[C@H](C)c3ccccc3)cs2)cc1 ZINC000004675327 210243490 /nfs/dbraw/zinc/24/34/90/210243490.db2.gz MIIBSYASJFHWOY-CQSZACIVSA-N 0 0 337.448 4.686 50 0 EJAARN c1ccc(C2=NN(c3ccccc3)[C@@]3(c4ccccc4)CC[C@@H]3N2)cc1 ZINC000004671111 210242610 /nfs/dbraw/zinc/24/26/10/210242610.db2.gz GDZHOQWIHOHPDP-JTHBVZDNSA-N 0 0 339.442 4.516 50 0 EJAARN COc1ccc(CC(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000004666331 210241599 /nfs/dbraw/zinc/24/15/99/210241599.db2.gz LOUWEOOQHDBUOZ-UHFFFAOYSA-N 0 0 333.387 4.669 50 0 EJAARN CCc1ccccc1NC(=S)N(CCOC)[C@H](C)c1cccs1 ZINC000004669532 210241131 /nfs/dbraw/zinc/24/11/31/210241131.db2.gz ZFBWIZUPYIOWEH-CQSZACIVSA-N 0 0 348.537 4.717 50 0 EJAARN COc1ccc2c(c1OC)C(c1ccccc1)(c1ccccc1)OC2 ZINC000004666925 210241265 /nfs/dbraw/zinc/24/12/65/210241265.db2.gz BRBVZHYHXMXLSO-UHFFFAOYSA-N 0 0 332.399 4.526 50 0 EJAARN CCn1c(=O)c2ccccc2nc1S[C@H](C)c1cc(F)ccc1F ZINC000058333192 214550638 /nfs/dbraw/zinc/55/06/38/214550638.db2.gz AJXWHIZSNNUFFD-LLVKDONJSA-N 0 0 346.402 4.548 50 0 EJAARN Cc1ccc(NC(=O)c2cc3cc(Cl)cc(Cl)c3oc2=N)cc1 ZINC000004637254 210235138 /nfs/dbraw/zinc/23/51/38/210235138.db2.gz DIIXSIDUCAYVHH-UHFFFAOYSA-N 0 0 347.201 4.780 50 0 EJAARN O=C(NCC1CCC1)c1ccc(-c2nc3ccccc3s2)s1 ZINC000058390746 214568543 /nfs/dbraw/zinc/56/85/43/214568543.db2.gz VFVQCFKJUCIWPQ-UHFFFAOYSA-N 0 0 328.462 4.555 50 0 EJAARN CC[C@H](C(=O)Nc1cccc2[nH]c(C(F)(F)F)nc21)c1ccccc1 ZINC000004625524 210233374 /nfs/dbraw/zinc/23/33/74/210233374.db2.gz NPWKGIXCHLAERJ-LBPRGKRZSA-N 0 0 347.340 4.714 50 0 EJAARN CCc1ccc(-c2csc(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3C4)n2)cc1 ZINC000004614054 210232206 /nfs/dbraw/zinc/23/22/06/210232206.db2.gz AHHKLTZSMVVPOJ-NUEKZKHPSA-N 0 0 326.465 4.747 50 0 EJAARN CCCCN1C(=O)c2ccccc2[C@H]1Sc1ccc(OC)cc1 ZINC000004603297 210231096 /nfs/dbraw/zinc/23/10/96/210231096.db2.gz PSOSDXRSDQFGNI-LJQANCHMSA-N 0 0 327.449 4.742 50 0 EJAARN O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCCCCC1 ZINC000004599406 210230489 /nfs/dbraw/zinc/23/04/89/210230489.db2.gz YAZAPPZFYIDHLH-UHFFFAOYSA-N 0 0 345.446 4.556 50 0 EJAARN O=C1OC(c2ccc(-c3ccccc3)cc2)=N/C1=C\c1ccccc1F ZINC000004588812 210227782 /nfs/dbraw/zinc/22/77/82/210227782.db2.gz XQMHNTSSAWTICB-ZHZULCJRSA-N 0 0 343.357 4.837 50 0 EJAARN S=C(Nc1ccc2c(c1)CCC2)N[C@H]1CCc2c1cccc2Cl ZINC000063790831 214769101 /nfs/dbraw/zinc/76/91/01/214769101.db2.gz HIZFRAXEBNKESG-SFHVURJKSA-N 0 0 342.895 4.803 50 0 EJAARN CCSc1ccccc1C(=O)Nc1ccc2nc(C)sc2c1 ZINC000004585693 210227592 /nfs/dbraw/zinc/22/75/92/210227592.db2.gz GTPANKXMNONZHQ-UHFFFAOYSA-N 0 0 328.462 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COc1cc(C(C)=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000004342713 210175428 /nfs/dbraw/zinc/17/54/28/210175428.db2.gz MIXWIQNBFRIDLH-UHFFFAOYSA-N 0 0 325.191 4.784 50 0 biogenic,in-vitro EJAARN Cc1ccc(C[C@H]2CCCN(C(=O)c3cc4ccccc4n3C)C2)cc1 ZINC000065162291 214834305 /nfs/dbraw/zinc/83/43/05/214834305.db2.gz FRSNBESPMFKAAD-LJQANCHMSA-N 0 0 346.474 4.582 50 0 EJAARN CCOC(=O)c1c(C)n(-c2ccccc2)nc1/C=C/c1ccccc1 ZINC000004334973 210173699 /nfs/dbraw/zinc/17/36/99/210173699.db2.gz LPBXZWLUELJXBK-CCEZHUSRSA-N 0 0 332.403 4.528 50 0 EJAARN O=C(Nc1nc2c(s1)c(Cl)ccc2Cl)c1ccc(F)cc1 ZINC000004330842 210173719 /nfs/dbraw/zinc/17/37/19/210173719.db2.gz WNRJDVIIHKLUKD-UHFFFAOYSA-N 0 0 341.194 4.995 50 0 EJAARN CC(C)c1nc(-n2cccc2)sc1C(=O)N[C@H](C)c1ccccc1 ZINC000065118555 214830530 /nfs/dbraw/zinc/83/05/30/214830530.db2.gz HEZLHKPYUCRRAX-CQSZACIVSA-N 0 0 339.464 4.548 50 0 EJAARN CCOc1ccc(C(=O)Nc2nc3c(s2)c(C)ccc3C)cc1 ZINC000004331343 210172665 /nfs/dbraw/zinc/17/26/65/210172665.db2.gz WDVHLQFLJGEJKF-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/74/85/78/201748578.db2.gz KTECRJNXGQCZJH-CYBMUJFWSA-N 0 0 347.443 4.783 50 0 EJAARN Cc1nc(-c2cccc(NC(=O)[C@@H](C)Oc3ccccc3)c2)cs1 ZINC000004247951 210151420 /nfs/dbraw/zinc/15/14/20/210151420.db2.gz BKRHMUPHCFEMKT-CYBMUJFWSA-N 0 0 338.432 4.525 50 0 EJAARN CCOc1ccc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)cc1 ZINC000004247946 210150894 /nfs/dbraw/zinc/15/08/94/210150894.db2.gz DISHQCOFOMIFBR-UHFFFAOYSA-N 0 0 338.432 4.770 50 0 EJAARN CC(=O)N[C@@H]1C[C@H](C2CCCCC2)O[C@H](c2c(C)cccc2C)C1 ZINC000065429024 214906895 /nfs/dbraw/zinc/90/68/95/214906895.db2.gz WPLAYFHSHLYZDV-AQNXPRMDSA-N 0 0 329.484 4.609 50 0 EJAARN COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)oc2ccccc23)c1 ZINC000004188101 210142455 /nfs/dbraw/zinc/14/24/55/210142455.db2.gz CDLKNAAHKOHBFG-UHFFFAOYSA-N 0 0 347.370 4.856 50 0 EJAARN COc1cccc2ccc(/C=C/c3cc4c(cc3Cl)OCO4)nc21 ZINC000004182555 210141005 /nfs/dbraw/zinc/14/10/05/210141005.db2.gz AFNTZUNUMWMINB-SOFGYWHQSA-N 0 0 339.778 4.796 50 0 EJAARN Cc1nc2c(ccc3nc(NC(=O)c4cccc(F)c4)sc32)s1 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ZINC000004152202 210134085 /nfs/dbraw/zinc/13/40/85/210134085.db2.gz IJPLZGGWLXJOMR-UHFFFAOYSA-N 0 0 327.412 4.965 50 0 EJAARN Cc1oc(-c2cccs2)nc1CSc1ccc2c(c1)OCCO2 ZINC000011146612 201805750 /nfs/dbraw/zinc/80/57/50/201805750.db2.gz XMOCVJIHEZYUDH-UHFFFAOYSA-N 0 0 345.445 4.775 50 0 EJAARN CSc1ccc(-c2csc(NC(=O)c3ccccc3)n2)cc1 ZINC000011422537 201809161 /nfs/dbraw/zinc/80/91/61/201809161.db2.gz VWOKBHHPQXMCJC-UHFFFAOYSA-N 0 0 326.446 4.784 50 0 EJAARN O=C(CCCc1ccccc1)NCc1ccc2[nH]c3c(c2c1)CCCC3 ZINC000004138259 210128916 /nfs/dbraw/zinc/12/89/16/210128916.db2.gz AYMXLHIBXSPNHB-UHFFFAOYSA-N 0 0 346.474 4.686 50 0 EJAARN Cc1ccc(C2=Nc3ccc(F)cc3C(c3ccccc3)=NN2)cc1 ZINC000004129700 210128061 /nfs/dbraw/zinc/12/80/61/210128061.db2.gz PUSDCJXMARUDHI-UHFFFAOYSA-N 0 0 329.378 4.568 50 0 EJAARN Cc1[nH]c2ccccc2c1[C@H](Nc1cc(C)ccn1)c1ccccn1 ZINC000004123462 210126114 /nfs/dbraw/zinc/12/61/14/210126114.db2.gz OJJVDGXAVUMNAV-OAQYLSRUSA-N 0 0 328.419 4.776 50 0 EJAARN O=C1C=C(NC(c2ccccc2)c2ccccc2)C2(CCCCC2)O1 ZINC000012376018 201842874 /nfs/dbraw/zinc/84/28/74/201842874.db2.gz FRUIOJNSBDHXFS-UHFFFAOYSA-N 0 0 333.431 4.509 50 0 EJAARN Cc1cccc(C)c1O[C@@]1(c2ccccc2)OC(=O)c2ccccc21 ZINC000004117620 210125493 /nfs/dbraw/zinc/12/54/93/210125493.db2.gz QDIBROZJVKGXOA-QFIPXVFZSA-N 0 0 330.383 4.754 50 0 EJAARN O=C(Nc1cccc(Cl)c1)N[C@H](c1ccccc1)c1ccccn1 ZINC000012557615 201854216 /nfs/dbraw/zinc/85/42/16/201854216.db2.gz LUBZSZUDAADQOH-GOSISDBHSA-N 0 0 337.810 4.646 50 0 EJAARN Cc1ccc2c(c1)S[C@H](C(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000012551900 201854642 /nfs/dbraw/zinc/85/46/42/201854642.db2.gz VDERLXDZEAMPNZ-HNNXBMFYSA-N 0 0 338.259 4.957 50 0 EJAARN O=C(Nc1nc(-c2ccccc2)nc2ccccc21)c1ccc(F)cc1 ZINC000004106912 210121224 /nfs/dbraw/zinc/12/12/24/210121224.db2.gz MYESLFCLAFQWQU-UHFFFAOYSA-N 0 0 343.361 4.688 50 0 EJAARN Cc1cc(C)cc(CN2C(=O)S/C(=C\c3ccc(F)cc3)C2=O)c1 ZINC000004105385 210120766 /nfs/dbraw/zinc/12/07/66/210120766.db2.gz UFSFWLWVIPDPQP-YVLHZVERSA-N 0 0 341.407 4.679 50 0 EJAARN COc1ccc2ccc(Oc3c(C)c4ccccc4[nH]c3=O)cc2c1 ZINC000012920793 201874733 /nfs/dbraw/zinc/87/47/33/201874733.db2.gz UZRXIGKBHUTVAW-UHFFFAOYSA-N 0 0 331.371 4.791 50 0 EJAARN O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)C1CCCCC1 ZINC000004072070 210113743 /nfs/dbraw/zinc/11/37/43/210113743.db2.gz SATNSPVUUMNMEF-UHFFFAOYSA-N 0 0 345.512 4.525 50 0 EJAARN COc1cccc2sc(NC(=O)Nc3ccc(Cl)cc3)nc21 ZINC000004071298 210113503 /nfs/dbraw/zinc/11/35/03/210113503.db2.gz KQJJNDZDZOXILY-UHFFFAOYSA-N 0 0 333.800 4.602 50 0 EJAARN O=C(Nc1ccc2c(c1)OCO2)c1sc2cccc(F)c2c1Cl ZINC000013327198 201890883 /nfs/dbraw/zinc/89/08/83/201890883.db2.gz AJHSXBGBNLFFCY-UHFFFAOYSA-N 0 0 349.770 4.675 50 0 EJAARN COc1ccc([C@@H](CCN(Cc2ccccc2)C(C)=O)C(C)C)cc1 ZINC000004042851 210107147 /nfs/dbraw/zinc/10/71/47/210107147.db2.gz YDKXNFONMNHVIV-QFIPXVFZSA-N 0 0 339.479 4.874 50 0 biogenic EJAARN CSc1cc(-c2ccc(Cl)cc2)c(C(=O)NC(C)C)s1 ZINC000004050421 210107671 /nfs/dbraw/zinc/10/76/71/210107671.db2.gz QOJHXFVNFIJSMN-UHFFFAOYSA-N 0 0 325.886 4.929 50 0 EJAARN Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)CCC1CCCC1 ZINC000004033062 210104686 /nfs/dbraw/zinc/10/46/86/210104686.db2.gz WQLFRRXFFYXBEA-UHFFFAOYSA-N 0 0 348.450 4.614 50 0 EJAARN Cc1cc(C)cc(N2C[C@@H](c3nc4ccccc4n3C(C)C)CC2=O)c1 ZINC000004033524 210104715 /nfs/dbraw/zinc/10/47/15/210104715.db2.gz OTHFGGDXZPZNGF-KRWDZBQOSA-N 0 0 347.462 4.755 50 0 EJAARN O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCCC[C@H]1c1cccnc1 ZINC000004000503 210098637 /nfs/dbraw/zinc/09/86/37/210098637.db2.gz QKORLSWPVRPZBR-SFHVURJKSA-N 0 0 339.826 4.584 50 0 biogenic EJAARN COc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(OC)cc1Cl ZINC000003997249 210097855 /nfs/dbraw/zinc/09/78/55/210097855.db2.gz XWOWAHWYUPQCLN-UHFFFAOYSA-N 0 0 349.858 4.512 50 0 EJAARN O=C(OC12CC3CC(CC(C3)C1)C2)c1ccccc1Br ZINC000003959864 210095465 /nfs/dbraw/zinc/09/54/65/210095465.db2.gz UPQJBCGQXPQJTA-UHFFFAOYSA-N 0 0 335.241 4.575 50 0 EJAARN Cc1ccc([C@H]2CC(c3ccc(C(C)C)cc3)=Nc3ncnn32)cc1 ZINC000102048077 219182214 /nfs/dbraw/zinc/18/22/14/219182214.db2.gz KHQUHSQHNPDFQA-HXUWFJFHSA-N 0 0 330.435 4.766 50 0 EJAARN Cc1ccn2c(c1)nc(-c1ccccc1)c2NC(=O)c1ccccc1F ZINC000003906514 210090607 /nfs/dbraw/zinc/09/06/07/210090607.db2.gz WZOOIXBJFRTJFS-UHFFFAOYSA-N 0 0 345.377 4.701 50 0 EJAARN O=C(Nc1c(-c2ccc(F)cc2)nc2ccccn21)c1ccccc1F ZINC000003906437 210090269 /nfs/dbraw/zinc/09/02/69/210090269.db2.gz HWAWFJMIEWCELO-UHFFFAOYSA-N 0 0 349.340 4.532 50 0 EJAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2)o1 ZINC000003904763 210088957 /nfs/dbraw/zinc/08/89/57/210088957.db2.gz RTUWINGCZGTOEZ-GHTZIAJQSA-N 0 0 330.387 4.830 50 0 EJAARN CCc1ccc([C@H](NC(=O)CCc2nc3ccccc3[nH]2)C(C)C)cc1 ZINC000045777400 213755019 /nfs/dbraw/zinc/75/50/19/213755019.db2.gz WKCKVOWZFSSDOU-JOCHJYFZSA-N 0 0 349.478 4.571 50 0 EJAARN CC(C)c1ccc(Nc2c(-c3ccccc3O)nc3cnccn32)cc1 ZINC000003896525 210086317 /nfs/dbraw/zinc/08/63/17/210086317.db2.gz KUVJPWYFLCPYRZ-UHFFFAOYSA-N 0 0 344.418 4.969 50 0 EJAARN Cc1cc(COc2ccc3c(c2)oc(C)c(-c2ccccc2)c3=O)on1 ZINC000014198186 201932126 /nfs/dbraw/zinc/93/21/26/201932126.db2.gz KOLYDWBRMDBFPB-UHFFFAOYSA-N 0 0 347.370 4.644 50 0 EJAARN O=C1Cc2c3cc(OCc4ccccc4)ccc3[nH]c2[C@@H]2CC=CC[C@H]12 ZINC000045303138 213723078 /nfs/dbraw/zinc/72/30/78/213723078.db2.gz ZSRBXTYDRKHHDB-ZWKOTPCHSA-N 0 0 343.426 4.922 50 0 EJAARN O=C(Oc1cccc(Cl)c1Cl)c1ccc(Br)o1 ZINC000003603268 210063586 /nfs/dbraw/zinc/06/35/86/210063586.db2.gz WIDGIYSRIRPUCY-UHFFFAOYSA-N 0 0 335.968 4.568 50 0 EJAARN COc1ccc(C(C)(C)C)cc1NC(=O)Cc1c[nH]c2ccccc12 ZINC000003552106 210053355 /nfs/dbraw/zinc/05/33/55/210053355.db2.gz IMLJXFJOIGLILV-UHFFFAOYSA-N 0 0 336.435 4.655 50 0 EJAARN O=C(CCCc1nc2ccccc2s1)Nc1ccc(Cl)cc1 ZINC000003549359 210051852 /nfs/dbraw/zinc/05/18/52/210051852.db2.gz UQXWFLSIQBJWSE-UHFFFAOYSA-N 0 0 330.840 4.911 50 0 EJAARN O=C(O[C@@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1)c1ccco1 ZINC000003537691 210050497 /nfs/dbraw/zinc/05/04/97/210050497.db2.gz YMSAJWLNSIOSDG-HXUWFJFHSA-N 0 0 345.354 4.542 50 0 EJAARN Cc1cccc2sc(NC(=O)COc3cccc4ccccc43)nc21 ZINC000003558854 210055085 /nfs/dbraw/zinc/05/50/85/210055085.db2.gz BNBOEXGVVHNNTN-UHFFFAOYSA-N 0 0 348.427 4.775 50 0 EJAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC1CCCCCCC1 ZINC000003458923 210045430 /nfs/dbraw/zinc/04/54/30/210045430.db2.gz PXHROCYYSVQPRV-UHFFFAOYSA-N 0 0 345.874 4.677 50 0 EJAARN O=C(Nc1ccc(F)c(F)c1)c1ncc(Cl)c(Cl)c1Cl ZINC000003455695 210044318 /nfs/dbraw/zinc/04/43/18/210044318.db2.gz LGLLYHXMWIJPOH-UHFFFAOYSA-N 0 0 337.540 4.572 50 0 EJAARN C[C@H](Sc1ccccc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000003454716 210044323 /nfs/dbraw/zinc/04/43/23/210044323.db2.gz ILOUOVMNNZUWGW-KRWDZBQOSA-N 0 0 339.504 4.649 50 0 EJAARN COc1ccc(C(=O)c2c(N)sc3c2CC[C@H](C(C)(C)C)C3)cc1 ZINC000003434705 210038433 /nfs/dbraw/zinc/03/84/33/210038433.db2.gz YENGKNWKJZXNQQ-ZDUSSCGKSA-N 0 0 343.492 4.721 50 0 EJAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)n[nH]2)cc1 ZINC000044837730 213649673 /nfs/dbraw/zinc/64/96/73/213649673.db2.gz GTGXSOCDFBZTAX-UHFFFAOYSA-N 0 0 346.217 4.944 50 0 EJAARN CC(=O)c1ccc(Oc2nc(-c3cccnc3)nc3ccccc32)cc1 ZINC000003430206 210037895 /nfs/dbraw/zinc/03/78/95/210037895.db2.gz QBKMCXLSVBRWOS-UHFFFAOYSA-N 0 0 341.370 4.687 50 0 EJAARN COC(=O)c1ccc(CSc2cc(C)c3cccc(C)c3n2)o1 ZINC000003446590 210041809 /nfs/dbraw/zinc/04/18/09/210041809.db2.gz SRMCSVDJIXFMCA-UHFFFAOYSA-N 0 0 327.405 4.524 50 0 EJAARN Cc1sc(NC(=O)c2ccc(Cl)nc2)nc1-c1ccc(F)cc1 ZINC000014911217 201943262 /nfs/dbraw/zinc/94/32/62/201943262.db2.gz QGSNVFKIFIZCTQ-UHFFFAOYSA-N 0 0 347.802 4.558 50 0 EJAARN O=C(Nc1nc(-c2c[nH]c3ccccc32)cs1)c1ccccc1F ZINC000003422588 210034936 /nfs/dbraw/zinc/03/49/36/210034936.db2.gz MOBAEEGEKPPKQB-UHFFFAOYSA-N 0 0 337.379 4.683 50 0 EJAARN Cc1ccc(C)c(C(=O)Nc2c(F)cc(F)cc2Br)c1 ZINC000003415316 210033153 /nfs/dbraw/zinc/03/31/53/210033153.db2.gz QRASSRZVMYDKBU-UHFFFAOYSA-N 0 0 340.167 4.596 50 0 EJAARN Cc1nc(NCc2cccc3ccccc32)sc1-c1ccn(C)n1 ZINC000014990115 201945710 /nfs/dbraw/zinc/94/57/10/201945710.db2.gz BRVWJXQZSJOLPZ-UHFFFAOYSA-N 0 0 334.448 4.617 50 0 EJAARN CC1(C)CC(=O)C2C(=Nc3nonc3N[C@@H]2c2ccc(Cl)cc2)C1 ZINC000102753200 219227304 /nfs/dbraw/zinc/22/73/04/219227304.db2.gz KQKOGOMKIHFOPJ-CQSZACIVSA-N 0 0 344.802 4.594 50 0 EJAARN CC(C)Oc1ccccc1OCCOc1ccccc1OC(C)C ZINC000003363312 210018677 /nfs/dbraw/zinc/01/86/77/210018677.db2.gz YDJAHTTZOHBQGM-UHFFFAOYSA-N 0 0 330.424 4.719 50 0 EJAARN CC(C)c1ccccc1NC(=S)NCCc1ccc(Cl)cc1 ZINC000003368432 210019850 /nfs/dbraw/zinc/01/98/50/210019850.db2.gz AWRCVLKHWFYBKL-UHFFFAOYSA-N 0 0 332.900 4.993 50 0 EJAARN Cc1ccc(NC(=O)CCCc2cccs2)c(Br)c1 ZINC000015315835 201954748 /nfs/dbraw/zinc/95/47/48/201954748.db2.gz FANLQYAYAWCGOF-UHFFFAOYSA-N 0 0 338.270 4.780 50 0 EJAARN C[C@@H](Nc1ccc(-c2ccccc2)cc1)C(=O)N(C)Cc1ccccc1 ZINC000003347858 210014593 /nfs/dbraw/zinc/01/45/93/210014593.db2.gz XEJCXFFBYJZIFP-GOSISDBHSA-N 0 0 344.458 4.813 50 0 EJAARN CCOc1ccc(-c2nc(-c3cc(C)n(C)c3C)cs2)cc1OC ZINC000003326877 210008599 /nfs/dbraw/zinc/00/85/99/210008599.db2.gz QWXCJYIPIYXDOI-UHFFFAOYSA-N 0 0 342.464 4.840 50 0 EJAARN CCOc1ccccc1OCC(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000003326174 210008484 /nfs/dbraw/zinc/00/84/84/210008484.db2.gz AOTGXQWICGYFIA-OAHLLOKOSA-N 0 0 327.424 4.616 50 0 EJAARN O=C(c1ccc2ccccc2n1)N(Cc1ccco1)Cc1cccs1 ZINC000003328337 210008203 /nfs/dbraw/zinc/00/82/03/210008203.db2.gz JQLRDCAHBVQDCV-UHFFFAOYSA-N 0 0 348.427 4.732 50 0 EJAARN Cc1c(Cl)cccc1-n1c(SC(C)C)nnc1-c1ccncc1 ZINC000003327073 210008083 /nfs/dbraw/zinc/00/80/83/210008083.db2.gz SHOORIKCYBZVJH-UHFFFAOYSA-N 0 0 344.871 4.792 50 0 EJAARN O=C(Cc1c[nH]c2ccccc12)NC(c1ccccc1)c1ccccc1 ZINC000003328079 210007825 /nfs/dbraw/zinc/00/78/25/210007825.db2.gz KSINCLDYCTVNBM-UHFFFAOYSA-N 0 0 340.426 4.616 50 0 EJAARN O=S1(=O)c2cccc3cccc(c23)N1Cc1cccc2ccccc21 ZINC000003321157 210006817 /nfs/dbraw/zinc/00/68/17/210006817.db2.gz NIDIMPUXVRWYDP-UHFFFAOYSA-N 0 0 345.423 4.702 50 0 EJAARN CSc1nc2scc(-c3cccs3)c2c(=O)n1CC(C)C ZINC000003333056 210010319 /nfs/dbraw/zinc/01/03/19/210010319.db2.gz OEILYWCANQUVTA-UHFFFAOYSA-N 0 0 336.507 4.564 50 0 EJAARN Clc1ccc(-c2csc(NC[C@H]3CCCO3)n2)c(Cl)c1 ZINC000003331445 210008977 /nfs/dbraw/zinc/00/89/77/210008977.db2.gz CVTSHTKLJHDAGW-SNVBAGLBSA-N 0 0 329.252 4.708 50 0 EJAARN O=C(CCc1nc2ccccc2s1)OCc1c(F)cccc1Cl ZINC000003318847 210005927 /nfs/dbraw/zinc/00/59/27/210005927.db2.gz CKZQCZYCKPWGOD-UHFFFAOYSA-N 0 0 349.814 4.765 50 0 EJAARN CCC(=O)Nc1ccc([C@H](C)NCc2csc(C(C)(C)C)n2)cc1 ZINC000067186614 215121816 /nfs/dbraw/zinc/12/18/16/215121816.db2.gz GSXHZQZWSMEOBD-ZDUSSCGKSA-N 0 0 345.512 4.640 50 0 EJAARN CC[C@H](C)c1ccccc1OCC(=O)Nc1cc(C)ccc1OC ZINC000003312662 210004460 /nfs/dbraw/zinc/00/44/60/210004460.db2.gz KBJSZNCJNVPUAE-HNNXBMFYSA-N 0 0 327.424 4.535 50 0 EJAARN O=C(OCc1c(F)cccc1Cl)c1cc2ccccc2cc1O ZINC000003313240 210004219 /nfs/dbraw/zinc/00/42/19/210004219.db2.gz BTRMYTVOETZNLU-UHFFFAOYSA-N 0 0 330.742 4.695 50 0 EJAARN COc1ccc([C@H]2C3C(=O)CCCC3=Nc3nc4ccccc4n32)cc1 ZINC000102889357 219238419 /nfs/dbraw/zinc/23/84/19/219238419.db2.gz ZNUQSQHGQOUGJI-FQEVSTJZSA-N 0 0 345.402 4.716 50 0 EJAARN COc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc4ccccc4n32)cc1 ZINC000102889355 219238650 /nfs/dbraw/zinc/23/86/50/219238650.db2.gz ZNUQSQHGQOUGJI-HXUWFJFHSA-N 0 0 345.402 4.716 50 0 EJAARN CCCCn1c(SCc2ccc(C)cc2)nc2ccccc2c1=O ZINC000067259689 215129240 /nfs/dbraw/zinc/12/92/40/215129240.db2.gz PPTQGLLOVJINJC-UHFFFAOYSA-N 0 0 338.476 4.797 50 0 EJAARN CC(C)(C)c1ccc(-c2nc3sc4c(c3c(=O)o2)CCC4)cc1 ZINC000003243327 209986565 /nfs/dbraw/zinc/98/65/65/209986565.db2.gz XRAUPFACXMBWHA-UHFFFAOYSA-N 0 0 325.433 4.703 50 0 EJAARN Cc1ccccc1NC(=O)N[C@@H](C)c1ccccc1Br ZINC000043135498 213563102 /nfs/dbraw/zinc/56/31/02/213563102.db2.gz WZGFAHIJGHZYCT-LBPRGKRZSA-N 0 0 333.229 4.640 50 0 EJAARN Cc1ccccc1C(=O)N[C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000015839891 201965987 /nfs/dbraw/zinc/96/59/87/201965987.db2.gz UBJWFGVJNNWDDS-LJQANCHMSA-N 0 0 336.822 4.563 50 0 EJAARN Cc1c(C(=O)Nc2ccc3nsnc3c2)oc2cc(C)cc(C)c12 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Cc1ccc([C@H]2C[C@H](c3cccc(Cl)c3)n3ncnc3N2)cc1C ZINC000002919588 209941976 /nfs/dbraw/zinc/94/19/76/209941976.db2.gz JGQKRLCBLLUPJI-QZTJIDSGSA-N 0 0 338.842 4.695 50 0 EJAARN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCCC(F)(F)C1 ZINC000067817954 215219957 /nfs/dbraw/zinc/21/99/57/215219957.db2.gz IZQOCOLNAWZYNC-UHFFFAOYSA-N 0 0 326.774 4.535 50 0 EJAARN CCC(NC(=O)Nc1ccc(Cl)cc1)(C(F)(F)F)C(F)(F)F ZINC000002870611 209931890 /nfs/dbraw/zinc/93/18/90/209931890.db2.gz BWTPBMKSFWFTSW-UHFFFAOYSA-N 0 0 348.674 4.735 50 0 EJAARN Cc1ccc(-c2csc(NC(=O)CSc3ccccc3)n2)cc1 ZINC000002852394 209928734 /nfs/dbraw/zinc/92/87/34/209928734.db2.gz LFAPRQURUBWQAC-UHFFFAOYSA-N 0 0 340.473 4.849 50 0 EJAARN CCCCSc1ccc(NC(=O)COc2ccccc2C)cc1 ZINC000002839768 209925394 /nfs/dbraw/zinc/92/53/94/209925394.db2.gz LISMJKSYUNOLPQ-UHFFFAOYSA-N 0 0 329.465 4.905 50 0 EJAARN Cc1cc(C)cc(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)c1 ZINC000017010884 201983221 /nfs/dbraw/zinc/98/32/21/201983221.db2.gz YPGXPBALZOFQHV-UHFFFAOYSA-N 0 0 349.825 4.829 50 0 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ZINC000021794881 202070877 /nfs/dbraw/zinc/07/08/77/202070877.db2.gz CEJAJHGROCFOEA-CYBMUJFWSA-N 0 0 345.402 4.729 50 0 EJAARN CCC[C@H](O)c1nc2ccccc2n1CCCOc1cccc(C)c1 ZINC000021787622 202070899 /nfs/dbraw/zinc/07/08/99/202070899.db2.gz SHXHREXKDLBYCJ-FQEVSTJZSA-N 0 0 338.451 4.647 50 0 EJAARN CCCCC1CCC(C(=O)Nc2noc(-c3ccccc3)n2)CC1 ZINC000021800457 202071269 /nfs/dbraw/zinc/07/12/69/202071269.db2.gz MBDWNTLQHKZWNA-UHFFFAOYSA-N 0 0 327.428 4.672 50 0 EJAARN Cc1ccc(O[C@@H](C)C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000021830004 202071924 /nfs/dbraw/zinc/07/19/24/202071924.db2.gz QNYOTJVFZZWZPH-LIRRHRJNSA-N 0 0 343.854 4.683 50 0 EJAARN C[C@H]1CCN(C(=O)c2ccc(OC(F)F)cc2)c2ccccc2S1 ZINC000021901352 202073729 /nfs/dbraw/zinc/07/37/29/202073729.db2.gz MBLFOTDHOMKVJG-LBPRGKRZSA-N 0 0 349.402 4.819 50 0 EJAARN O=C(N[C@@H](CCCc1ccccc1)c1ccccc1)c1cccnc1 ZINC000021964199 202076147 /nfs/dbraw/zinc/07/61/47/202076147.db2.gz XTCAKIOVQBPIDL-NRFANRHFSA-N 0 0 330.431 4.576 50 0 EJAARN O=C(c1cc(-c2ccc3ccccc3c2)on1)N1CCCCCCC1 ZINC000022649065 202088245 /nfs/dbraw/zinc/08/82/45/202088245.db2.gz TUGSZEBAYFAIHJ-UHFFFAOYSA-N 0 0 334.419 4.901 50 0 EJAARN COc1cc(Br)cc(-c2nc3cc(C)cc(C)c3o2)c1O ZINC000022665926 202089355 /nfs/dbraw/zinc/08/93/55/202089355.db2.gz JKQVZUOKSUXNGE-UHFFFAOYSA-N 0 0 348.196 4.588 50 0 EJAARN Cc1cc(C(=O)N2CCC[C@@H]2c2ccccc2)c(C)n1Cc1ccco1 ZINC000022766291 202091173 /nfs/dbraw/zinc/09/11/73/202091173.db2.gz OKAIASBCDISWCZ-OAQYLSRUSA-N 0 0 348.446 4.724 50 0 EJAARN Clc1ccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)cc1 ZINC000000508208 209640101 /nfs/dbraw/zinc/64/01/01/209640101.db2.gz JWGPOXQZCDEDDH-UHFFFAOYSA-N 0 0 346.777 4.882 50 0 EJAARN Cc1ccc([C@H]2c3ccccc3CCN2C(=O)c2ccccc2F)cc1 ZINC000023306096 202102047 /nfs/dbraw/zinc/10/20/47/202102047.db2.gz RTNYZBFEOSMMPG-QFIPXVFZSA-N 0 0 345.417 4.922 50 0 EJAARN CC(C)(C)c1noc(CSc2nc3cc(Cl)ccc3s2)n1 ZINC000023949826 202109979 /nfs/dbraw/zinc/10/99/79/202109979.db2.gz MYNZFSPQTJMGQP-UHFFFAOYSA-N 0 0 339.873 4.923 50 0 EJAARN CC[C@H](C)C(=O)NC[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000024435362 202115607 /nfs/dbraw/zinc/11/56/07/202115607.db2.gz HKKASRKKTLCNPJ-XJKSGUPXSA-N 0 0 326.465 4.524 50 0 EJAARN O=C(N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2)c1ccoc1 ZINC000024659444 202119248 /nfs/dbraw/zinc/11/92/48/202119248.db2.gz CGRNGNSTGTWUFO-LJQANCHMSA-N 0 0 337.444 4.739 50 0 EJAARN CC(C)c1nnc(NC(=O)c2ccccc2Nc2ccccc2)s1 ZINC000024778877 202120526 /nfs/dbraw/zinc/12/05/26/202120526.db2.gz LOVDWPRZBMQKSF-UHFFFAOYSA-N 0 0 338.436 4.657 50 0 EJAARN COc1ccccc1[C@@H](C)N(C)C(=O)/C=C/c1cc2ccccc2o1 ZINC000025111809 202126761 /nfs/dbraw/zinc/12/67/61/202126761.db2.gz BRUOQYZGBNDWSV-RDRICISKSA-N 0 0 335.403 4.674 50 0 EJAARN CCC[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(OCC)cc3)=NN21 ZINC000025581863 202133700 /nfs/dbraw/zinc/13/37/00/202133700.db2.gz FSVQBXUFAOCYLX-TZIWHRDSSA-N 0 0 336.435 4.755 50 0 EJAARN Fc1ccc(-c2nc(COc3ccccc3Br)co2)cc1 ZINC000025090123 202126050 /nfs/dbraw/zinc/12/60/50/202126050.db2.gz UNFXHJTZLCQCNZ-UHFFFAOYSA-N 0 0 348.171 4.822 50 0 EJAARN Cc1cc(C)n(-c2nc3ccccc3nc2Nc2cc(C)ccc2C)n1 ZINC000000499586 209637125 /nfs/dbraw/zinc/63/71/25/209637125.db2.gz YQFNPRLFMJXFHK-UHFFFAOYSA-N 0 0 343.434 4.793 50 0 EJAARN COc1ccc(C(=O)Nc2cc(-c3ccc(C)cc3)no2)cc1Cl ZINC000027793799 202160234 /nfs/dbraw/zinc/16/02/34/202160234.db2.gz ZYNVXBNOUHAWRY-UHFFFAOYSA-N 0 0 342.782 4.564 50 0 EJAARN Cc1c2ccc(C)c(C)c2oc1C(=O)Nc1onc2c1C[C@@H](C)CC2 ZINC000027794558 202160866 /nfs/dbraw/zinc/16/08/66/202160866.db2.gz DRRLRPNKYQJRPN-JTQLQIEISA-N 0 0 338.407 4.723 50 0 EJAARN O=C1OC(c2cc(F)c(F)cc2Cl)=N/C1=C\C=C\c1ccccc1 ZINC000027500244 202156474 /nfs/dbraw/zinc/15/64/74/202156474.db2.gz SVQPKTAZHXHKAG-QSJINSDNSA-N 0 0 345.732 4.519 50 0 EJAARN Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3C)no2)cc1 ZINC000027581277 202156977 /nfs/dbraw/zinc/15/69/77/202156977.db2.gz OONHXJXNBYQZII-UHFFFAOYSA-N 0 0 326.783 4.864 50 0 EJAARN CCc1ccc(CN(C(=O)c2ccc(F)cc2)c2ccccn2)cc1 ZINC000027662673 202158367 /nfs/dbraw/zinc/15/83/67/202158367.db2.gz DKKWCAHLTJOXJG-UHFFFAOYSA-N 0 0 334.394 4.630 50 0 EJAARN CCc1ccc(CN(C(=O)c2ccccc2F)c2ccccn2)cc1 ZINC000027662676 202159302 /nfs/dbraw/zinc/15/93/02/202159302.db2.gz SNKRBUQTFPORJG-UHFFFAOYSA-N 0 0 334.394 4.630 50 0 EJAARN Fc1ccc(NCc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 ZINC000040040811 202167233 /nfs/dbraw/zinc/16/72/33/202167233.db2.gz QQROYHRCSINNTQ-UHFFFAOYSA-N 0 0 337.276 4.507 50 0 EJAARN C[C@@H](c1ccco1)N(C(=O)c1ccc(Cl)s1)c1ccccn1 ZINC000037868922 213171668 /nfs/dbraw/zinc/17/16/68/213171668.db2.gz GFNIUVDTKGETNT-NSHDSACASA-N 0 0 332.812 4.798 50 0 EJAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)cc1 ZINC000000492095 209633765 /nfs/dbraw/zinc/63/37/65/209633765.db2.gz FTADFDWMQQCTNK-VIFPVBQESA-N 0 0 328.170 4.539 50 0 EJAARN COc1ccc(NC(=O)C[C@H](C(C)C)[C@H]2CCOC(C)(C)C2)cc1 ZINC000000491175 209633826 /nfs/dbraw/zinc/63/38/26/209633826.db2.gz HKQAZWUSSIHYBS-MAUKXSAKSA-N 0 0 333.472 4.501 50 0 biogenic EJAARN COc1cccc2cc(-c3cc(=O)oc4cc5c(cc43)CCC5)oc21 ZINC000000490787 209633670 /nfs/dbraw/zinc/63/36/70/209633670.db2.gz DLRKVVOFDHMEHE-UHFFFAOYSA-N 0 0 332.355 4.704 50 0 biogenic EJAARN COc1ccc(C(=O)N[C@H](C)C(c2ccccc2)c2ccccc2)cc1 ZINC000031383950 202205108 /nfs/dbraw/zinc/20/51/08/202205108.db2.gz HUDXVPYXCHGUNO-QGZVFWFLSA-N 0 0 345.442 4.646 50 0 EJAARN Clc1cccc(OCc2noc(-c3cccs3)n2)c1Cl ZINC000031680868 202208717 /nfs/dbraw/zinc/20/87/17/202208717.db2.gz YWRJJPLGYSACAQ-UHFFFAOYSA-N 0 0 327.192 4.684 50 0 EJAARN CC(C)NC(=O)c1cc2sccc2n1Cc1ccccc1Cl ZINC000037526401 213154566 /nfs/dbraw/zinc/15/45/66/213154566.db2.gz CCYMCEBSBUTLSU-UHFFFAOYSA-N 0 0 332.856 4.543 50 0 EJAARN CCCNC(=O)c1cc2sccc2n1Cc1cccc(Cl)c1 ZINC000037526045 213154311 /nfs/dbraw/zinc/15/43/11/213154311.db2.gz QOPSKRSTMGNGIZ-UHFFFAOYSA-N 0 0 332.856 4.544 50 0 EJAARN C[C@H](c1cc2ccccc2o1)N(C)C(=O)CCc1cccc(F)c1 ZINC000037164702 213133904 /nfs/dbraw/zinc/13/39/04/213133904.db2.gz VJEQWTFUFCYHPI-CQSZACIVSA-N 0 0 325.383 4.724 50 0 EJAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000474394 209625072 /nfs/dbraw/zinc/62/50/72/209625072.db2.gz HKAVWZFEFHLUMR-SNVBAGLBSA-N 0 0 343.732 4.765 50 0 EJAARN Cc1nn(C(C)C)c(C)c1NC(=O)c1cc(C2CC2)nc2ccccc21 ZINC000069970536 215648370 /nfs/dbraw/zinc/64/83/70/215648370.db2.gz JHRRJHQICLLPGB-UHFFFAOYSA-N 0 0 348.450 4.759 50 0 EJAARN C[C@H]1CCCC[C@@H]1NC(=O)Cc1csc(-c2cccc(Cl)c2)n1 ZINC000036779210 213119259 /nfs/dbraw/zinc/11/92/59/213119259.db2.gz BLYSIBHXMVGQDJ-LRDDRELGSA-N 0 0 348.899 4.701 50 0 EJAARN CC(C)[C@H](NC(=O)c1ccccc1Br)c1ccccc1 ZINC000000462343 209615389 /nfs/dbraw/zinc/61/53/89/209615389.db2.gz RPZJTONLJNQUDK-INIZCTEOSA-N 0 0 332.241 4.576 50 0 EJAARN O=C(Nc1cccnc1Oc1ccccc1)c1cc2ccccc2o1 ZINC000036759577 213117089 /nfs/dbraw/zinc/11/70/89/213117089.db2.gz XVFJUZMZMZXXFA-UHFFFAOYSA-N 0 0 330.343 4.872 50 0 EJAARN O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc2ccccc2c1 ZINC000000459637 209613657 /nfs/dbraw/zinc/61/36/57/209613657.db2.gz SPOAENBJHLWFJV-UHFFFAOYSA-N 0 0 331.293 4.991 50 0 EJAARN O=C(CSCc1ccccc1Cl)NCc1ccc(Cl)cc1 ZINC000000454183 209610509 /nfs/dbraw/zinc/61/05/09/209610509.db2.gz UCCJKTJTBQUKSY-UHFFFAOYSA-N 0 0 340.275 4.543 50 0 EJAARN CCCc1cc(=O)oc2c(C)c(OCc3ccc(OC)cc3)ccc12 ZINC000000457471 209613149 /nfs/dbraw/zinc/61/31/49/209613149.db2.gz LZRHTPGVOUKXTD-UHFFFAOYSA-N 0 0 338.403 4.642 50 0 biogenic EJAARN CC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 ZINC000000458685 209612626 /nfs/dbraw/zinc/61/26/26/209612626.db2.gz JFVNWZZWPRBXNV-VGOFMYFVSA-N 0 0 336.435 4.594 50 0 EJAARN O=C(NCc1cccs1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000036709340 213112163 /nfs/dbraw/zinc/11/21/63/213112163.db2.gz YXNLGDRAHABWSC-UHFFFAOYSA-N 0 0 349.415 4.878 50 0 EJAARN Cc1ccc(-c2cc(C(F)(F)F)nc(NCc3ccco3)n2)s1 ZINC000036613444 213101950 /nfs/dbraw/zinc/10/19/50/213101950.db2.gz UHORGNNLASIECF-UHFFFAOYSA-N 0 0 339.342 4.737 50 0 EJAARN Cc1ccc(OC[C@H](O)Cn2c3ccccc3c3ccccc32)cc1 ZINC000000449003 209607445 /nfs/dbraw/zinc/60/74/45/209607445.db2.gz RVMQHAZVEUQQPA-QGZVFWFLSA-N 0 0 331.415 4.543 50 0 EJAARN CCOc1ccc(NC(=O)N2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000036620309 213105023 /nfs/dbraw/zinc/10/50/23/213105023.db2.gz TUMXZLJMZZQURE-SFHVURJKSA-N 0 0 328.387 4.593 50 0 EJAARN Cc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000036620336 213105119 /nfs/dbraw/zinc/10/51/19/213105119.db2.gz MVOFHGLBNMSBCZ-FQEVSTJZSA-N 0 0 343.492 4.644 50 0 EJAARN O=C(c1cc(F)c(F)cc1Cl)N1CCC[C@H]1c1ccccc1F ZINC000036620666 213104450 /nfs/dbraw/zinc/10/44/50/213104450.db2.gz HZFDWWNZBOUGJE-INIZCTEOSA-N 0 0 339.744 4.735 50 0 EJAARN O=C(Cc1csc(Cc2cccc(Cl)c2)n1)Nc1ccccc1 ZINC000036394685 213096823 /nfs/dbraw/zinc/09/68/23/213096823.db2.gz AKVPHQVZVVARMT-UHFFFAOYSA-N 0 0 342.851 4.569 50 0 EJAARN Fc1ccc([C@@H]2c3cccn3CCCN2Cc2ccccc2)c(F)c1 ZINC000036348188 213086587 /nfs/dbraw/zinc/08/65/87/213086587.db2.gz UFMKQNHBQFXFRK-OAQYLSRUSA-N 0 0 338.401 4.762 50 0 EJAARN O=C(Nc1ccccc1)N1CCC[C@@H](OCc2ccccc2Cl)C1 ZINC000036315851 213084477 /nfs/dbraw/zinc/08/44/77/213084477.db2.gz OORRMAYWDFWBAN-QGZVFWFLSA-N 0 0 344.842 4.553 50 0 EJAARN CCOc1ccccc1NC(=O)[C@H](C)Sc1ccc(Cl)cc1 ZINC000000443751 209603019 /nfs/dbraw/zinc/60/30/19/209603019.db2.gz SKLDULOZPSHGNU-LBPRGKRZSA-N 0 0 335.856 4.858 50 0 EJAARN Cc1ccc(SCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000000442961 209603087 /nfs/dbraw/zinc/60/30/87/209603087.db2.gz QKMZGNZAAQQCGG-UHFFFAOYSA-N 0 0 339.504 4.568 50 0 EJAARN COc1ccc(NC(=O)COc2cccc3ccccc32)cc1Cl ZINC000000441780 209601751 /nfs/dbraw/zinc/60/17/51/209601751.db2.gz NPZFVGICMSHKCU-UHFFFAOYSA-N 0 0 341.794 4.519 50 0 EJAARN Cc1ccc(C(=O)[C@H]2[C@@H](c3ccccc3)N2Cc2ccccc2)cc1 ZINC000036020491 213056898 /nfs/dbraw/zinc/05/68/98/213056898.db2.gz RLTHUIVLGQTWJM-GNLJQLLCSA-N 0 0 327.427 4.803 50 0 EJAARN CCCN(Cc1cc(-c2ccc(C)cc2C)on1)C(=O)CC(C)C ZINC000036012368 213055348 /nfs/dbraw/zinc/05/53/48/213055348.db2.gz KBAYJNSHXWERPS-UHFFFAOYSA-N 0 0 328.456 4.743 50 0 EJAARN Cc1ccc(C(=O)N(C)Cc2cc(-c3ccc(C)cc3C)on2)cc1 ZINC000036012400 213054866 /nfs/dbraw/zinc/05/48/66/213054866.db2.gz CJJSVWMJCVDNRU-UHFFFAOYSA-N 0 0 334.419 4.539 50 0 EJAARN O=C(Nc1ccccc1)c1cn2cc(-c3ccccc3Cl)ccc2n1 ZINC000035938984 213051449 /nfs/dbraw/zinc/05/14/49/213051449.db2.gz CSNFMALCIGUZNT-UHFFFAOYSA-N 0 0 347.805 4.907 50 0 EJAARN CCOc1ccc(Nc2c(-c3cccc(O)c3)nc3ccccn32)cc1 ZINC000035616499 213043127 /nfs/dbraw/zinc/04/31/27/213043127.db2.gz VDVZSSKNXLOYFO-UHFFFAOYSA-N 0 0 345.402 4.849 50 0 EJAARN Fc1ccc(-c2nc3cnccn3c2Nc2ccc(Cl)cc2)cc1 ZINC000035622781 213042945 /nfs/dbraw/zinc/04/29/45/213042945.db2.gz JBLFSQAOKAILEH-UHFFFAOYSA-N 0 0 338.773 4.932 50 0 EJAARN COc1cccc(Nc2c(-c3cccc(O)c3)nc3ccc(C)cn32)c1 ZINC000035616242 213042280 /nfs/dbraw/zinc/04/22/80/213042280.db2.gz ZBRUTSDWGKIYSC-UHFFFAOYSA-N 0 0 345.402 4.768 50 0 EJAARN Cc1ccc2nc(-c3cccc(O)c3)c(Nc3ccc(F)cc3)n2c1 ZINC000035616386 213042299 /nfs/dbraw/zinc/04/22/99/213042299.db2.gz JSBXKSYKXBGXDC-UHFFFAOYSA-N 0 0 333.366 4.898 50 0 EJAARN COc1cccc(Nc2c(-c3cccc(O)c3)nc3cc(C)ccn32)c1 ZINC000035616208 213042159 /nfs/dbraw/zinc/04/21/59/213042159.db2.gz UCNRQFCXEOFOMK-UHFFFAOYSA-N 0 0 345.402 4.768 50 0 EJAARN CCOc1ccc(Nc2c(-c3ccc(O)cc3)nc3ccccn32)cc1 ZINC000035616505 213042201 /nfs/dbraw/zinc/04/22/01/213042201.db2.gz ZLKQWSFNRCIKEA-UHFFFAOYSA-N 0 0 345.402 4.849 50 0 EJAARN Cc1ccc(C(=O)Nc2cccc(-c3noc(C4CCCC4)n3)c2)cc1 ZINC000035539865 213037891 /nfs/dbraw/zinc/03/78/91/213037891.db2.gz QMHRQXYIQDFDKQ-UHFFFAOYSA-N 0 0 347.418 4.955 50 0 EJAARN Cc1ccc(-c2cncc(C(=O)N[C@@H](C)c3ccc(C)cc3)c2)cc1 ZINC000035514649 213035417 /nfs/dbraw/zinc/03/54/17/213035417.db2.gz GRSRMLMUNITIBN-KRWDZBQOSA-N 0 0 330.431 4.856 50 0 EJAARN O=C1c2cccc3cccc(c23)N1CN1CCC[C@H]1c1cccs1 ZINC000032506970 202226953 /nfs/dbraw/zinc/22/69/53/202226953.db2.gz OONIXWDEYLNLSE-INIZCTEOSA-N 0 0 334.444 4.656 50 0 EJAARN CN1/C(=C/C(=O)Nc2ccccc2)c2ccccc2CC12CCCCC2 ZINC000032609516 202229181 /nfs/dbraw/zinc/22/91/81/202229181.db2.gz WKMJKCOECWPBSA-LTGZKZEYSA-N 0 0 346.474 4.857 50 0 EJAARN 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ZINC000072331403 216155100 /nfs/dbraw/zinc/15/51/00/216155100.db2.gz GLTNBQPDWRMSKV-UHFFFAOYSA-N 0 0 335.369 4.933 50 0 EJAARN CCCOc1ccc(CNC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000072331410 216155332 /nfs/dbraw/zinc/15/53/32/216155332.db2.gz IRPLWAONNQDRLF-UHFFFAOYSA-N 0 0 338.234 4.712 50 0 EJAARN O=C(Nc1ccc(Br)cc1C(F)(F)F)[C@H]1CC=CCC1 ZINC000072310506 216146742 /nfs/dbraw/zinc/14/67/42/216146742.db2.gz IPJBVPRQPLSKIT-VIFPVBQESA-N 0 0 348.162 4.763 50 0 EJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(Cl)c1 ZINC000000237529 209497790 /nfs/dbraw/zinc/49/77/90/209497790.db2.gz GRLOINLFWVWIIU-UHFFFAOYSA-N 0 0 330.598 4.664 50 0 EJAARN CC[C@@H](C)Sc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccccc1 ZINC000000214018 209487985 /nfs/dbraw/zinc/48/79/85/209487985.db2.gz WWTFNGZUGHSJNH-CYBMUJFWSA-N 0 0 349.459 4.758 50 0 EJAARN CCc1ccc2oc(-c3ccc(NC(=O)c4cccnc4)cc3)nc2c1 ZINC000000187525 209471607 /nfs/dbraw/zinc/47/16/07/209471607.db2.gz DFYWICVYKCAHHN-UHFFFAOYSA-N 0 0 343.386 4.705 50 0 EJAARN CCC(CC)C(=O)Nc1c2c(nn1-c1ccc(C)cc1C)CSC2 ZINC000000190339 209474159 /nfs/dbraw/zinc/47/41/59/209474159.db2.gz LWEJIPSEQCGZKF-UHFFFAOYSA-N 0 0 343.496 4.611 50 0 EJAARN CCc1cccc(C)c1NC(=O)COc1ccc(Cl)cc1Cl ZINC000000181815 209469069 /nfs/dbraw/zinc/46/90/69/209469069.db2.gz AGNOOAXBAOPALQ-UHFFFAOYSA-N 0 0 338.234 4.882 50 0 EJAARN Cc1cc2c(ncn(Cc3cccc(Oc4ccccc4)c3)c2=O)s1 ZINC000000151055 209455213 /nfs/dbraw/zinc/45/52/13/209455213.db2.gz CEJFEGPQOXNTOV-UHFFFAOYSA-N 0 0 348.427 4.607 50 0 EJAARN CCc1ccc(NC(=O)CSCc2c(F)cccc2Cl)cc1 ZINC000000148715 209452466 /nfs/dbraw/zinc/45/24/66/209452466.db2.gz XXVFPQNYCIFOAN-UHFFFAOYSA-N 0 0 337.847 4.913 50 0 EJAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C=C(C)C ZINC000000148993 209451555 /nfs/dbraw/zinc/45/15/55/209451555.db2.gz VUYGWCVSYQZBFR-UHFFFAOYSA-N 0 0 347.411 4.636 50 0 EJAARN O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000000146812 209450572 /nfs/dbraw/zinc/45/05/72/209450572.db2.gz WHLMQGIMSUMKRF-UHFFFAOYSA-N 0 0 349.817 4.620 50 0 EJAARN Cc1cc(C)c(NC(=O)c2ccccc2Br)c(Cl)c1 ZINC000000145243 209448628 /nfs/dbraw/zinc/44/86/28/209448628.db2.gz JQQORCGASIUVJV-UHFFFAOYSA-N 0 0 338.632 4.972 50 0 EJAARN O=C1N=C(Nc2cccc(C(F)(F)F)c2)C(=Cc2ccncc2)S1 ZINC000072400753 216193788 /nfs/dbraw/zinc/19/37/88/216193788.db2.gz XJMGTIDSYTXMFI-JYRVWZFOSA-N 0 0 349.337 4.819 50 0 EJAARN Cc1ccc(-c2nc(N)sc2NC(=O)c2ccc(Cl)cc2)cc1 ZINC000028405105 212618198 /nfs/dbraw/zinc/61/81/98/212618198.db2.gz PFSVESGUJILFFZ-UHFFFAOYSA-N 0 0 343.839 4.606 50 0 EJAARN COc1ccc(C(C)=O)cc1COc1ccc(Cl)cc1Cl ZINC000000137769 209442638 /nfs/dbraw/zinc/44/26/38/209442638.db2.gz VHGFKBILBUAVHQ-UHFFFAOYSA-N 0 0 325.191 4.784 50 0 EJAARN O=C(Nc1ccc(C(=O)c2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000000134142 209441817 /nfs/dbraw/zinc/44/18/17/209441817.db2.gz JJNUFGKSMVVNIC-UHFFFAOYSA-N 0 0 335.790 4.823 50 0 EJAARN c1cnc2c(c1)cccc2Oc1ncnc2sc3c(c21)CCCC3 ZINC000000124409 209436625 /nfs/dbraw/zinc/43/66/25/209436625.db2.gz VCQOVGDCILAHQJ-UHFFFAOYSA-N 0 0 333.416 4.911 50 0 EJAARN Cc1nn(-c2nc3ccccc3s2)c(N)c1-c1ccc(Cl)cc1 ZINC000000112819 209429027 /nfs/dbraw/zinc/42/90/27/209429027.db2.gz NCAUYMSUKWBKQE-UHFFFAOYSA-N 0 0 340.839 4.693 50 0 aggregator EJAARN CCOC(=O)c1cnc2ccccc2c1Nc1ccccc1OCC ZINC000000098390 209418625 /nfs/dbraw/zinc/41/86/25/209418625.db2.gz RGQXKMNJEYMZGS-UHFFFAOYSA-N 0 0 336.391 4.554 50 0 EJAARN COC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1cc(O)c1ccccc21 ZINC000000095533 209417279 /nfs/dbraw/zinc/41/72/79/209417279.db2.gz YAUDJHUHZWMMJN-UHFFFAOYSA-N 0 0 345.398 4.893 50 0 EJAARN CCOc1ccc(NC(=O)c2c(Cl)ccc(Cl)c2OC)cc1 ZINC000000094868 209416719 /nfs/dbraw/zinc/41/67/19/209416719.db2.gz QMYPMOXLBOFXRG-UHFFFAOYSA-N 0 0 340.206 4.653 50 0 EJAARN CCc1nc2sc(C(=O)c3cccc(Cl)c3)c(N)c2cc1C ZINC000000093863 209416334 /nfs/dbraw/zinc/41/63/34/209416334.db2.gz OYKDMDBNAMTRRH-UHFFFAOYSA-N 0 0 330.840 4.634 50 0 EJAARN Cc1ccccc1Nc1nc([C@@]2(C)C[C@H](C(C)C)C(=O)O2)cs1 ZINC000000084472 209409861 /nfs/dbraw/zinc/40/98/61/209409861.db2.gz HJRFTQTZRBOHPC-FZKQIMNGSA-N 0 0 330.453 4.629 50 0 EJAARN O=C1c2ccccc2N[C@H](c2cccc(F)c2)N1Cc1ccccc1 ZINC000000070051 209399966 /nfs/dbraw/zinc/39/99/66/209399966.db2.gz HVRQQORHBNXQKX-FQEVSTJZSA-N 0 0 332.378 4.592 50 0 EJAARN COc1cc(SC)ccc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000067921 209398581 /nfs/dbraw/zinc/39/85/81/209398581.db2.gz WBSFKZISPYHSCO-UHFFFAOYSA-N 0 0 341.354 4.688 50 0 EJAARN COc1ccc(-c2csc(Nc3ccccc3OC)n2)cc1F ZINC000000062545 209395758 /nfs/dbraw/zinc/39/57/58/209395758.db2.gz UMSKQJYWPLRRAR-UHFFFAOYSA-N 0 0 330.384 4.710 50 0 EJAARN O=C(Nc1ccc2ccccc2c1)c1ccc(Br)cc1 ZINC000000054772 209393339 /nfs/dbraw/zinc/39/33/39/209393339.db2.gz YQBQGDIIGKTWBG-UHFFFAOYSA-N 0 0 326.193 4.855 50 0 EJAARN c1c(-c2ccccc2)c2c3n1nc(COc1ccccc1)n3CCCC2 ZINC000000056271 209392832 /nfs/dbraw/zinc/39/28/32/209392832.db2.gz FLJULUDKMNPSLQ-UHFFFAOYSA-N 0 0 343.430 4.718 50 0 EJAARN Cc1ccc2c(C)c(-c3ccc(Br)cc3)c(=O)oc2c1 ZINC000000057977 209392769 /nfs/dbraw/zinc/39/27/69/209392769.db2.gz XWYMRNAAAGAGPX-UHFFFAOYSA-N 0 0 329.193 4.839 50 0 EJAARN COc1ccc(NC(=O)C2C(c3ccccc3)=C2c2ccccc2)cc1 ZINC000000051289 209390095 /nfs/dbraw/zinc/39/00/95/209390095.db2.gz RRGYNDZNNDJPJI-UHFFFAOYSA-N 0 0 341.410 4.875 50 0 EJAARN O=c1oc(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000000049094 209388974 /nfs/dbraw/zinc/38/89/74/209388974.db2.gz NUWCJRBRYGSEPF-UHFFFAOYSA-N 0 0 326.566 4.815 50 0 EJAARN Cc1ccc2nc(C)cc(C(=O)N3CCCC[C@H]3c3cccnc3)c2c1 ZINC000072448425 216238859 /nfs/dbraw/zinc/23/88/59/216238859.db2.gz OFWDQPXVWFAFBX-NRFANRHFSA-N 0 0 345.446 4.614 50 0 EJAARN CC(C)c1noc([C@H](C)Sc2nccn2-c2cccc(Cl)c2)n1 ZINC000027811066 212578653 /nfs/dbraw/zinc/57/86/53/212578653.db2.gz RMGMALNSFDLNNU-NSHDSACASA-N 0 0 348.859 4.885 50 0 EJAARN CCOc1ccc(C(=O)CSc2nc3ccccc3s2)cc1 ZINC000000192233 201055942 /nfs/dbraw/zinc/05/59/42/201055942.db2.gz DOQUDONGUVOEAZ-UHFFFAOYSA-N 0 0 329.446 4.670 50 0 EJAARN COC(=O)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 ZINC000004262522 201056113 /nfs/dbraw/zinc/05/61/13/201056113.db2.gz GBQCMRLPXFXVIN-UHFFFAOYSA-N 0 0 348.398 4.631 50 0 EJAARN Oc1ccc(Br)cc1-c1cc(-c2ccccc2Cl)n[nH]1 ZINC000013126309 201364676 /nfs/dbraw/zinc/36/46/76/201364676.db2.gz MMLKBDGKQVDEEK-UHFFFAOYSA-N 0 0 349.615 4.865 50 0 EJAARN Cc1ccc2c(c1)c1c3n2CC(=O)N([C@H](C)c2ccccc2)[C@@H]3CCC1 ZINC000000190458 201357533 /nfs/dbraw/zinc/35/75/33/201357533.db2.gz SVWIFMOPOCWQOQ-IIBYNOLFSA-N 0 0 344.458 4.931 50 0 biogenic EJAARN COc1ccc2cc(/C=C\C(=O)NCc3sccc3C)ccc2c1 ZINC000096248663 201374863 /nfs/dbraw/zinc/37/48/63/201374863.db2.gz HNGXFBWLEINQCK-YWEYNIOJSA-N 0 0 337.444 4.548 50 0 EJAARN CCCOc1ccc2ccccc2c1CN(C)C(=O)/C=C\c1ccco1 ZINC000096102398 201374919 /nfs/dbraw/zinc/37/49/19/201374919.db2.gz NPWNJAORGXVLGN-QBFSEMIESA-N 0 0 349.430 4.893 50 0 EJAARN Cc1ccn2cc(C(=O)Nc3ccc(Nc4ccccc4)cc3)nc2c1 ZINC000045574336 202554308 /nfs/dbraw/zinc/55/43/08/202554308.db2.gz MFXHPJJLEZASGE-UHFFFAOYSA-N 0 0 342.402 4.639 50 0 EJAARN CCCCN(C(=O)c1ccc(-n2nc(C)cc2C)cc1)c1ccccc1 ZINC000012568512 541311875 /nfs/dbraw/zinc/31/18/75/541311875.db2.gz NXKQNFMSBBOJDR-UHFFFAOYSA-N 0 0 347.462 4.936 50 0 EJAARN Cc1ccc(-n2cnnc2S[C@@H](C)c2ccc(F)cc2)c(C)c1 ZINC000024647190 212430078 /nfs/dbraw/zinc/43/00/78/212430078.db2.gz SPRAWKIXIRNDNH-AWEZNQCLSA-N 0 0 327.428 4.877 50 0 EJAARN CC(C)c1noc([C@H](C)Sc2nc(-c3ccc(F)cc3)c[nH]2)n1 ZINC000048354951 202604269 /nfs/dbraw/zinc/60/42/69/202604269.db2.gz GBAGWCKRXAFCDB-JTQLQIEISA-N 0 0 332.404 4.576 50 0 EJAARN COc1cccc(CSc2nccn3nc(-c4ccccc4)cc23)c1 ZINC000048990897 202613805 /nfs/dbraw/zinc/61/38/05/202613805.db2.gz DKJOQRRIYKYICP-UHFFFAOYSA-N 0 0 347.443 4.697 50 0 EJAARN O=C(Nc1ccc(F)cc1Br)Nc1cc(F)ccc1F ZINC000051354432 202639428 /nfs/dbraw/zinc/63/94/28/202639428.db2.gz KWZGUWMLCSRNFN-UHFFFAOYSA-N 0 0 345.118 4.510 50 0 EJAARN Cc1occc1CN(C)C(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000056252102 202710206 /nfs/dbraw/zinc/71/02/06/202710206.db2.gz MXOJTSZNZASWPZ-UHFFFAOYSA-N 0 0 346.386 4.668 50 0 EJAARN CCSc1nnc(CNc2cccc(OC)c2)n1C1CCCCC1 ZINC000057675205 202725887 /nfs/dbraw/zinc/72/58/87/202725887.db2.gz PGSNQTNRMJZMOC-UHFFFAOYSA-N 0 0 346.500 4.516 50 0 EJAARN COc1ccc(OC)c2c(C)cc(NC[C@@H](C)c3ccccc3)nc12 ZINC000023634197 212386532 /nfs/dbraw/zinc/38/65/32/212386532.db2.gz NZJWGUAMGGTFIB-OAHLLOKOSA-N 0 0 336.435 4.776 50 0 EJAARN COc1ccc(Cc2nc(-c3cc(F)ccc3F)cs2)cc1OC ZINC000023624777 212386096 /nfs/dbraw/zinc/38/60/96/212386096.db2.gz TYKTZNNBVZOYNK-UHFFFAOYSA-N 0 0 347.386 4.696 50 0 EJAARN Cc1nccnc1-c1cccc(-c2ccn(CCCC(F)(F)F)n2)c1 ZINC000023478842 212380535 /nfs/dbraw/zinc/38/05/35/212380535.db2.gz DBYOSAOUBHAYAQ-UHFFFAOYSA-N 0 0 346.356 4.658 50 0 EJAARN CC[C@H](O)Cn1ccc(-c2cccc(-c3ccc4ccccc4n3)c2)n1 ZINC000023428792 212376785 /nfs/dbraw/zinc/37/67/85/212376785.db2.gz SBPBRYIOWHNDNA-IBGZPJMESA-N 0 0 343.430 4.536 50 0 EJAARN COc1cc(Cl)c(C)cc1NCc1nc(-c2ccccc2C)no1 ZINC000058402628 202765243 /nfs/dbraw/zinc/76/52/43/202765243.db2.gz XZGWQTLPSDJOGQ-UHFFFAOYSA-N 0 0 343.814 4.628 50 0 EJAARN Cc1ccc(CNC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1F ZINC000023174766 212358185 /nfs/dbraw/zinc/35/81/85/212358185.db2.gz QMZDXWPAZGQYPU-AWEZNQCLSA-N 0 0 340.398 4.783 50 0 EJAARN CCCc1cc(NCc2ccccc2)n2ncc(-c3ccccc3)c2n1 ZINC000023114885 212349407 /nfs/dbraw/zinc/34/94/07/212349407.db2.gz KFPZECGYILHTQG-UHFFFAOYSA-N 0 0 342.446 4.961 50 0 EJAARN CSc1ccc(-c2noc(-c3c[nH]nc3-c3ccccc3)n2)cc1 ZINC000023125439 212351290 /nfs/dbraw/zinc/35/12/90/212351290.db2.gz KDJRLJIDCCJXFG-UHFFFAOYSA-N 0 0 334.404 4.516 50 0 EJAARN CCCOc1ccccc1OC(=O)c1nc(-c2ccccc2)oc1C ZINC000022917793 212333995 /nfs/dbraw/zinc/33/39/95/212333995.db2.gz NSKKNCWAYRSIIO-UHFFFAOYSA-N 0 0 337.375 4.658 50 0 EJAARN O=C(Nc1ccccc1)c1nnc(/C(Cl)=C/c2ccsc2)s1 ZINC000023053510 212343891 /nfs/dbraw/zinc/34/38/91/212343891.db2.gz UPZJNCSTRJPTQO-WQLSENKSSA-N 0 0 347.852 4.589 50 0 EJAARN CCCCc1ccc(NC(=O)c2ccc(-c3nc(C)no3)cc2)cc1 ZINC000022833735 212327172 /nfs/dbraw/zinc/32/71/72/212327172.db2.gz MZDODTCPBNPEEX-UHFFFAOYSA-N 0 0 335.407 4.640 50 0 EJAARN CC[C@@H](C)NC(=O)c1cncn1-c1ccc(-c2cc(C)cc(C)c2)cc1 ZINC000022662082 212314952 /nfs/dbraw/zinc/31/49/52/212314952.db2.gz DTYQMOIRDOLUOH-QGZVFWFLSA-N 0 0 347.462 4.684 50 0 EJAARN COc1ccc2c(c1)-c1sc(C(=O)N[C@@H](C)C(C)(C)C)cc1CC2 ZINC000022630506 212313129 /nfs/dbraw/zinc/31/31/29/212313129.db2.gz VDZPJHFLKJOLJV-LBPRGKRZSA-N 0 0 343.492 4.687 50 0 EJAARN CCC[C@H](C)NC(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000022522808 212304379 /nfs/dbraw/zinc/30/43/79/212304379.db2.gz GDLCTWDJQSGUBR-KRWDZBQOSA-N 0 0 347.462 4.517 50 0 EJAARN Cc1ccc(CCCNC(=O)c2ccccc2SC(F)F)c(C)c1 ZINC000022459698 212298259 /nfs/dbraw/zinc/29/82/59/212298259.db2.gz TVFQGHMVBQGBDE-UHFFFAOYSA-N 0 0 349.446 4.981 50 0 EJAARN Cc1[nH]c2ccc(C)cc2c1CCNC(=O)Nc1ccc(Cl)cc1 ZINC000000110545 201436430 /nfs/dbraw/zinc/43/64/30/201436430.db2.gz WRCKFJVCWRAFLP-UHFFFAOYSA-N 0 0 341.842 4.802 50 0 biogenic,in-vitro EJAARN CCN(CC)c1ccc(NC(=S)Nc2ccc(OC)cc2)c(C)c1 ZINC000000117704 201437418 /nfs/dbraw/zinc/43/74/18/201437418.db2.gz DPXCNGZDMUCPQN-UHFFFAOYSA-N 0 0 343.496 4.659 50 0 EJAARN O=C(C1CCC(F)(F)CC1)N(Cc1ccsc1)c1cccnc1 ZINC000193521190 240198294 /nfs/dbraw/zinc/19/82/94/240198294.db2.gz MGEKDIGWKUIQLY-UHFFFAOYSA-N 0 0 336.407 4.502 50 0 EJAARN CC(C)(C)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1Cl ZINC000022344377 212292294 /nfs/dbraw/zinc/29/22/94/212292294.db2.gz XHXFPBKPHAOUOG-UHFFFAOYSA-N 0 0 333.863 4.808 50 0 EJAARN CCCC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](CCC)C2 ZINC000022322859 212290121 /nfs/dbraw/zinc/29/01/21/212290121.db2.gz WQHXPCZFEANXAV-LBPRGKRZSA-N 0 0 337.485 4.568 50 0 EJAARN Cc1cccc(-n2ccnc2SCc2nc3ccccc3o2)c1C ZINC000022282088 212287391 /nfs/dbraw/zinc/28/73/91/212287391.db2.gz KASQHTCVPSIMOE-UHFFFAOYSA-N 0 0 335.432 4.923 50 0 EJAARN COc1ccccc1NC(=O)CSc1ccc(Cl)cc1Cl ZINC000000141822 201440481 /nfs/dbraw/zinc/44/04/81/201440481.db2.gz ZBDWIQSKWMEGRI-UHFFFAOYSA-N 0 0 342.247 4.733 50 0 EJAARN Cn1ccnc1SCc1cc(-c2ccc(Cl)cc2Cl)no1 ZINC000022187138 212281450 /nfs/dbraw/zinc/28/14/50/212281450.db2.gz 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0 0 349.434 4.612 50 0 EJAARN CC(=O)c1ccc(NC(=O)C[C@H](c2ccccc2C)n2cccc2)cc1 ZINC000020998562 212197879 /nfs/dbraw/zinc/19/78/79/212197879.db2.gz UMOQLRVVFNPYBX-OAQYLSRUSA-N 0 0 346.430 4.617 50 0 EJAARN O=C(C[C@H](c1cccc(F)c1)n1cccc1)Nc1ccc(Cl)cc1 ZINC000020998029 212197832 /nfs/dbraw/zinc/19/78/32/212197832.db2.gz PHTNGCWCGPSVHW-GOSISDBHSA-N 0 0 342.801 4.899 50 0 EJAARN Cc1cc(F)ccc1NC(=O)C[C@@H](c1ccc(F)cc1)n1cccc1 ZINC000020997778 212196763 /nfs/dbraw/zinc/19/67/63/212196763.db2.gz GYZBQIFQSMXVTQ-IBGZPJMESA-N 0 0 340.373 4.693 50 0 EJAARN Cc1cccc(CNC(=O)c2ccc(-n3ccc4ccccc43)s2)c1 ZINC000020986063 212194836 /nfs/dbraw/zinc/19/48/36/212194836.db2.gz CTVGOSIDXIYMHP-UHFFFAOYSA-N 0 0 346.455 4.930 50 0 EJAARN c1c(C23CC4CC(CC(C4)C2)C3)cn2c1-c1cc3c(cc1CC2)OCO3 ZINC000005348470 201647307 /nfs/dbraw/zinc/64/73/07/201647307.db2.gz CGVMKGCLUQCGPO-UHFFFAOYSA-N 0 0 347.458 4.908 50 0 EJAARN Cc1c(C)n(-c2ccc(C)cc2)c2ncnc(Nc3nccs3)c12 ZINC000005346099 201647676 /nfs/dbraw/zinc/64/76/76/201647676.db2.gz OCSNJKHUTCUXEN-UHFFFAOYSA-N 0 0 335.436 4.546 50 0 EJAARN C[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000005235439 201643435 /nfs/dbraw/zinc/64/34/35/201643435.db2.gz RBWGKDKKNHJEOR-HWPZZCPQSA-N 0 0 333.218 4.883 50 0 EJAARN CC(=O)NCC[C@@H]1[C@H](c2c(C)n(C)c3c2ccc2ccccc32)C1(C)C ZINC000005478424 201652489 /nfs/dbraw/zinc/65/24/89/201652489.db2.gz UPSGZPSERZFAKQ-TZIWHRDSSA-N 0 0 348.490 4.906 50 0 EJAARN Cc1ccsc1[C@H](Cc1ccccc1)N[C@H](C)c1nnc(C)s1 ZINC000242273596 243015491 /nfs/dbraw/zinc/01/54/91/243015491.db2.gz YEGCRZSMWKBBTC-CJNGLKHVSA-N 0 0 343.521 4.851 50 0 EJAARN O=C(NCCC1=CCCCC1)c1noc2c1CSc1ccccc1-2 ZINC000020901991 212185101 /nfs/dbraw/zinc/18/51/01/212185101.db2.gz BXGRTOSVHRSYAC-UHFFFAOYSA-N 0 0 340.448 4.568 50 0 EJAARN CC[C@H]1c2ccc(C)n2CCN1C(=O)Nc1cc(Cl)ccc1C ZINC000020900309 212184444 /nfs/dbraw/zinc/18/44/44/212184444.db2.gz NYPMMDSTPAYIMK-INIZCTEOSA-N 0 0 331.847 4.757 50 0 EJAARN O=C(Nc1ccc(-c2nc(-c3ccccc3)no2)cc1)C1CCCCC1 ZINC000020900072 212184126 /nfs/dbraw/zinc/18/41/26/212184126.db2.gz GFKSWMCVSBQCCO-UHFFFAOYSA-N 0 0 347.418 4.922 50 0 EJAARN CCCCCc1nnc(NC(=O)c2ccccc2C(F)(F)F)s1 ZINC000005938386 201668603 /nfs/dbraw/zinc/66/86/03/201668603.db2.gz ZFARRAJNARNHQO-UHFFFAOYSA-N 0 0 343.374 4.542 50 0 EJAARN COc1ccc(Cl)cc1NC(=O)c1nc(-c2ccccc2)oc1C ZINC000005937898 201668746 /nfs/dbraw/zinc/66/87/46/201668746.db2.gz ZISKFHMHPHANAX-UHFFFAOYSA-N 0 0 342.782 4.564 50 0 EJAARN Cc1oc(-c2cccc(C)c2)nc1CSc1nc2cc[nH]cc-2n1 ZINC000020865739 212179121 /nfs/dbraw/zinc/17/91/21/212179121.db2.gz CYBHKSQJTFJTQP-UHFFFAOYSA-N 0 0 336.420 4.522 50 0 EJAARN Cc1oc(-c2ccccc2C)nc1CSc1nc2cc[nH]cc-2n1 ZINC000020865733 212178053 /nfs/dbraw/zinc/17/80/53/212178053.db2.gz XTJMQFJASPLDTR-UHFFFAOYSA-N 0 0 336.420 4.522 50 0 EJAARN CCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccc(C)cc1C ZINC000064438954 202813701 /nfs/dbraw/zinc/81/37/01/202813701.db2.gz WIJSOVWOFWESSR-UHFFFAOYSA-N 0 0 349.434 4.514 50 0 EJAARN COc1ccccc1-c1nc(-c2ccc(-c3csc(C)n3)cc2)no1 ZINC000064669069 202816011 /nfs/dbraw/zinc/81/60/11/202816011.db2.gz KIGZGQUKOGKIMM-UHFFFAOYSA-N 0 0 349.415 4.844 50 0 EJAARN CCOP(=O)(OCC)[C@H](Nc1ccccn1)c1ccc(F)cc1 ZINC000020828949 212175055 /nfs/dbraw/zinc/17/50/55/212175055.db2.gz ORDVWOCVTJTWBC-INIZCTEOSA-N 0 0 338.319 4.598 50 0 EJAARN CCOP(=O)(OCC)[C@@H](Nc1ccccn1)c1ccc(F)cc1 ZINC000020828946 212175063 /nfs/dbraw/zinc/17/50/63/212175063.db2.gz ORDVWOCVTJTWBC-MRXNPFEDSA-N 0 0 338.319 4.598 50 0 EJAARN Cn1cc(/C=C/c2ccc3ccc(Cl)cc3n2)c(-c2ccncc2)n1 ZINC000063278281 202805235 /nfs/dbraw/zinc/80/52/35/202805235.db2.gz CFTJGTMKAXWXDD-QPJJXVBHSA-N 0 0 346.821 4.854 50 0 EJAARN O=C(Cn1c(-c2ccccc2)cc2ccccc21)Nc1cccc(O)c1 ZINC000020738804 212168730 /nfs/dbraw/zinc/16/87/30/212168730.db2.gz UMXNQPKHRWYKDK-UHFFFAOYSA-N 0 0 342.398 4.653 50 0 EJAARN CCc1cccc(Nc2c(C(=O)OC(C)C)cnc3nc(C)ccc32)c1 ZINC000065114296 202824707 /nfs/dbraw/zinc/82/47/07/202824707.db2.gz JJLQYXWFMQXQPI-UHFFFAOYSA-N 0 0 349.434 4.809 50 0 EJAARN O=C(Nc1cccc(-c2nc3cnccc3o2)c1)c1ccccc1Cl ZINC000020721498 212163380 /nfs/dbraw/zinc/16/33/80/212163380.db2.gz LJXFBGAJQUMUQS-UHFFFAOYSA-N 0 0 349.777 4.796 50 0 EJAARN CCCn1nc(C)c2c1nc(-c1ccccc1OC)cc2C(F)F ZINC000020615400 212156451 /nfs/dbraw/zinc/15/64/51/212156451.db2.gz CGFNWAFPTQEONZ-UHFFFAOYSA-N 0 0 331.366 4.763 50 0 EJAARN CCn1ncc2c1nc(-c1ccc(Cl)s1)cc2C(F)(F)F ZINC000020615839 212156200 /nfs/dbraw/zinc/15/62/00/212156200.db2.gz MBGSFOUFFJZJFK-UHFFFAOYSA-N 0 0 331.750 4.852 50 0 EJAARN CCCCc1ccc(C2=N/C(=C\C=C\c3ccccc3)C(=O)O2)cc1 ZINC000020615950 212155760 /nfs/dbraw/zinc/15/57/60/212155760.db2.gz OOPMBTPWSHHXND-HPWAJECUSA-N 0 0 331.415 4.930 50 0 EJAARN C[C@@H](N[C@H](C)c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 ZINC000069514820 203011984 /nfs/dbraw/zinc/01/19/84/203011984.db2.gz VSAZFLLOXDCXET-CHWSQXEVSA-N 0 0 327.815 4.802 50 0 EJAARN O=[S@](Cc1csc(C2CCCC2)n1)Cc1ccc(Cl)s1 ZINC000069813112 203052746 /nfs/dbraw/zinc/05/27/46/203052746.db2.gz VLXBFRJEQBPJFO-FQEVSTJZSA-N 0 0 345.942 4.965 50 0 EJAARN O=C(C[C@@H](c1ccccc1)n1cccc1)Nc1cccc2cccnc21 ZINC000253410698 243923563 /nfs/dbraw/zinc/92/35/63/243923563.db2.gz NPMAHQWXSDDPAY-FQEVSTJZSA-N 0 0 341.414 4.655 50 0 EJAARN Cc1[nH]c(-c2ccc(F)cc2)cc1C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000020486821 212137425 /nfs/dbraw/zinc/13/74/25/212137425.db2.gz KJVUQHQCEMQVQE-SNUQEOBHSA-N 0 0 328.431 4.684 50 0 EJAARN Cc1nc(Nc2ccc(C)cc2C)sc1C(=O)NC1CCCCC1 ZINC000071326594 203092456 /nfs/dbraw/zinc/09/24/56/203092456.db2.gz CXLYJVVONSNZSO-UHFFFAOYSA-N 0 0 343.496 4.874 50 0 EJAARN Cc1c2cc(CNc3cnccn3)ccc2[nH]c1-c1ccccc1F ZINC000071415538 203095348 /nfs/dbraw/zinc/09/53/48/203095348.db2.gz CPEYGXPOMATOSE-UHFFFAOYSA-N 0 0 332.382 4.685 50 0 EJAARN CCC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@H]3CC[C@H]2C1 ZINC000254749603 244044901 /nfs/dbraw/zinc/04/49/01/244044901.db2.gz SAOVUTZAPBDLOX-LUTWZVANSA-N 0 0 346.511 4.920 50 0 EJAARN O=C(Nc1ccc(F)cc1Br)c1cc2ccccc2o1 ZINC000020430197 212128101 /nfs/dbraw/zinc/12/81/01/212128101.db2.gz GNWOYPLOYLWYSV-UHFFFAOYSA-N 0 0 334.144 4.587 50 0 EJAARN CC[C@@H](C(=O)NCC[C@H](O)c1cccc2ccccc21)c1ccccc1 ZINC000077116621 216841121 /nfs/dbraw/zinc/84/11/21/216841121.db2.gz YJWRDUPEYXBPPB-KNQAVFIVSA-N 0 0 347.458 4.573 50 0 EJAARN O=C(NCc1ccc(F)cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000072331421 203201875 /nfs/dbraw/zinc/20/18/75/203201875.db2.gz WYHUVVVHCQQMFR-UHFFFAOYSA-N 0 0 332.589 4.716 50 0 EJAARN CCc1nnc2c3ccccc3nc(Nc3cccc(Cl)c3C)n12 ZINC000020178086 212110273 /nfs/dbraw/zinc/11/02/73/212110273.db2.gz AQGCPDJYUTZRNN-UHFFFAOYSA-N 0 0 337.814 4.545 50 0 EJAARN Cc1oc(-c2ccccc2Cl)nc1CN1CCC(F)(F)CC1 ZINC000072456749 203227965 /nfs/dbraw/zinc/22/79/65/203227965.db2.gz OAXJQDZQLVHFFT-UHFFFAOYSA-N 0 0 326.774 4.535 50 0 EJAARN Cc1ccc([C@@H](NC(=O)Cc2cccc(F)c2)c2cccs2)cc1 ZINC000020019401 212094352 /nfs/dbraw/zinc/09/43/52/212094352.db2.gz DKVPIDNBEBOOHV-HXUWFJFHSA-N 0 0 339.435 4.644 50 0 EJAARN Cc1cc(-c2csc(NC(=O)/C=C/c3ccco3)n2)c(C)s1 ZINC000020014873 212093369 /nfs/dbraw/zinc/09/33/69/212093369.db2.gz OKOJHFGQDVJBBP-AATRIKPKSA-N 0 0 330.434 4.733 50 0 EJAARN c1ccc(Sc2nc3ccccc3nc2Sc2ccccn2)nc1 ZINC000020031086 212095345 /nfs/dbraw/zinc/09/53/45/212095345.db2.gz RXUCKQZJAMGNEU-UHFFFAOYSA-N 0 0 348.456 4.722 50 0 EJAARN Cc1cc(-c2nc3ccccc3[nH]2)ccc1NC(=O)c1cccc(F)c1 ZINC000019945464 212089856 /nfs/dbraw/zinc/08/98/56/212089856.db2.gz RPHJCCWFKHJYSR-UHFFFAOYSA-N 0 0 345.377 4.930 50 0 EJAARN c1cc(-c2ccccc2)oc1-c1nn2c(nnc2-c2ccccc2)s1 ZINC000019910156 212082489 /nfs/dbraw/zinc/08/24/89/212082489.db2.gz KHLAHCQJBUNSQK-UHFFFAOYSA-N 0 0 344.399 4.780 50 0 EJAARN CSc1cccc(NC(=O)c2cnc(-c3ccc(C)cc3)nc2C)c1 ZINC000075437174 203315271 /nfs/dbraw/zinc/31/52/71/203315271.db2.gz KVVGYNGFWURGEM-UHFFFAOYSA-N 0 0 349.459 4.735 50 0 EJAARN COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN32)cc1 ZINC000019893714 212079668 /nfs/dbraw/zinc/07/96/68/212079668.db2.gz LLWSLPLDHNDQAO-NQIIRXRSSA-N 0 0 346.386 4.531 50 0 EJAARN O=C(Nc1c(-c2ccc(Cl)cc2)nc2ccccn21)c1ccccc1 ZINC000019898836 212080895 /nfs/dbraw/zinc/08/08/95/212080895.db2.gz MOIWMWFASZPJIT-UHFFFAOYSA-N 0 0 347.805 4.907 50 0 EJAARN CCCc1nc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)cs1 ZINC000077487503 216917374 /nfs/dbraw/zinc/91/73/74/216917374.db2.gz MEUJSFHKWGYTOU-INIZCTEOSA-N 0 0 332.444 4.602 50 0 EJAARN CC[C@@H](c1ccccn1)N(C)C(=O)c1oc2c(ccc(C)c2C)c1C ZINC000077287929 203378539 /nfs/dbraw/zinc/37/85/39/203378539.db2.gz YMQJAVMVGKZPHS-SFHVURJKSA-N 0 0 336.435 4.976 50 0 EJAARN CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C ZINC000257359014 244583534 /nfs/dbraw/zinc/58/35/34/244583534.db2.gz XXSFRYVGIQYVIQ-WGEWZHFESA-N 0 0 330.512 4.761 50 0 EJAARN COc1ccc(OC)c(NCc2ccccc2OCCC(C)C)c1 ZINC000019737818 212059674 /nfs/dbraw/zinc/05/96/74/212059674.db2.gz NJMJQWYLBKCCPN-UHFFFAOYSA-N 0 0 329.440 4.741 50 0 EJAARN CC[C@@H](C)c1ccccc1O[C@@H](CC)C(=O)Nc1cc(N)ccc1C ZINC000019736723 212059159 /nfs/dbraw/zinc/05/91/59/212059159.db2.gz PBYZPQVAQPNFDE-KUHUBIRLSA-N 0 0 340.467 4.887 50 0 EJAARN O=C(c1ccc(-c2ccccc2F)s1)N1CCc2sccc2C1 ZINC000089821257 203593814 /nfs/dbraw/zinc/59/38/14/203593814.db2.gz HAXMUJLZMRHAFH-UHFFFAOYSA-N 0 0 343.448 4.814 50 0 EJAARN COc1cccc([C@H](C)NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1 ZINC000089905274 203601581 /nfs/dbraw/zinc/60/15/81/203601581.db2.gz XBWGBJIWNHGXKK-AWEZNQCLSA-N 0 0 348.446 4.546 50 0 EJAARN CC(=O)[C@@H](C)CCCCC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000089895370 203600993 /nfs/dbraw/zinc/60/09/93/203600993.db2.gz QQUVDOAUSBRFKP-JKSUJKDBSA-N 0 0 325.452 4.803 50 0 EJAARN Cc1cccc(C)c1NC(=O)c1ccc(OCc2cscn2)cc1 ZINC000019358100 212020936 /nfs/dbraw/zinc/02/09/36/212020936.db2.gz CVRQUSGUSQQNHT-UHFFFAOYSA-N 0 0 338.432 4.591 50 0 EJAARN CCc1cccc2c(CC(=O)Nc3nccc4sccc43)c[nH]c21 ZINC000096011144 203797480 /nfs/dbraw/zinc/79/74/80/203797480.db2.gz QKVKDBUOMKKAFJ-UHFFFAOYSA-N 0 0 335.432 4.521 50 0 EJAARN COc1ccc(SC)c(OC)c1C(=O)Nc1ccc(C(C)C)cc1 ZINC000095986500 203787342 /nfs/dbraw/zinc/78/73/42/203787342.db2.gz WVAXYGNHAPOXGQ-UHFFFAOYSA-N 0 0 345.464 4.801 50 0 EJAARN O=c1c2c(-c3cccc4ccccc43)cc[nH]c-2nn1-c1ccccc1 ZINC000100130335 203990457 /nfs/dbraw/zinc/99/04/57/203990457.db2.gz YZLHFUSMBFHWJI-UHFFFAOYSA-N 0 0 337.382 4.534 50 0 EJAARN Clc1cccc([C@@H]2CC(c3ccccc3)=Nc3ncnn32)c1Cl ZINC000101171725 204001765 /nfs/dbraw/zinc/00/17/65/204001765.db2.gz GMFUPBWLQNEHDJ-HNNXBMFYSA-N 0 0 343.217 4.641 50 0 EJAARN Cc1cccc(C)c1NC(=O)N[C@H](C)c1ccccc1Br ZINC000043358353 204250326 /nfs/dbraw/zinc/25/03/26/204250326.db2.gz YXFFEVBMQYXOHN-CYBMUJFWSA-N 0 0 347.256 4.949 50 0 EJAARN CCc1nc(NC(=O)c2sc(-c3ccccc3)nc2C)sc1C ZINC000048333051 204345565 /nfs/dbraw/zinc/34/55/65/204345565.db2.gz RLRVMHZWYQGXKY-UHFFFAOYSA-N 0 0 343.477 4.698 50 0 EJAARN CN(C)/C=C(\c1cccs1)c1ncc(C(F)(F)F)cc1Cl ZINC000049952283 214037562 /nfs/dbraw/zinc/03/75/62/214037562.db2.gz YXBBXKZRRNCHEX-CSKARUKUSA-N 0 0 332.778 4.766 50 0 EJAARN CCOc1ccccc1C[S@@](=O)Cc1csc(C2CCCC2)n1 ZINC000078394747 217046771 /nfs/dbraw/zinc/04/67/71/217046771.db2.gz NEGTTXUOVMVMTE-QHCPKHFHSA-N 0 0 349.521 4.648 50 0 EJAARN CN(Cc1cccc(F)c1)C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000018080455 211981130 /nfs/dbraw/zinc/98/11/30/211981130.db2.gz AIJPCYJYHZPVIP-UHFFFAOYSA-N 0 0 333.406 4.694 50 0 EJAARN CCNc1nnc(S[C@@H](C)c2ccc(C(F)(F)F)cc2)s1 ZINC000078480764 217060095 /nfs/dbraw/zinc/06/00/95/217060095.db2.gz LOJKQHDXOADKDE-QMMMGPOBSA-N 0 0 333.404 4.842 50 0 EJAARN CCNc1nnc(S[C@H](C)c2ccc(C(F)(F)F)cc2)s1 ZINC000078480766 217060348 /nfs/dbraw/zinc/06/03/48/217060348.db2.gz LOJKQHDXOADKDE-MRVPVSSYSA-N 0 0 333.404 4.842 50 0 EJAARN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(NC2CCCCC2)cc1 ZINC000078594330 217081464 /nfs/dbraw/zinc/08/14/64/217081464.db2.gz JNIHYTYQYMJROE-CALCHBBNSA-N 0 0 344.499 4.600 50 0 EJAARN O=C(Nc1ccc(Nc2ccccc2)cc1)[C@H]1COc2ccccc21 ZINC000078692543 217103238 /nfs/dbraw/zinc/10/32/38/217103238.db2.gz WIHSQWHOMYJWQY-IBGZPJMESA-N 0 0 330.387 4.545 50 0 EJAARN NC(=O)c1cc2cc(Cl)ccc2o/c1=N\c1cccc2ccccc21 ZINC000017130766 211955828 /nfs/dbraw/zinc/95/58/28/211955828.db2.gz RHCHXVVQJIYBMQ-ATJXCDBQSA-N 0 0 348.789 4.571 50 0 EJAARN S=C1N=NC(CSCc2ccccc2)N1c1ccc(Cl)cc1 ZINC000017072333 211954096 /nfs/dbraw/zinc/95/40/96/211954096.db2.gz IKZFXNVEFNENPL-UHFFFAOYSA-N 0 0 347.896 4.643 50 0 EJAARN Cc1ccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1C ZINC000017072343 211953926 /nfs/dbraw/zinc/95/39/26/211953926.db2.gz SJDOBMLLZYUFAE-UHFFFAOYSA-N 0 0 348.324 4.951 50 0 EJAARN CC(C)c1ccc(-c2cs/c(=N\c3ccccc3)n2CCO)cc1 ZINC000016949845 211941644 /nfs/dbraw/zinc/94/16/44/211941644.db2.gz FWDLAGLTGFYPHZ-MRCUWXFGSA-N 0 0 338.476 4.565 50 0 EJAARN O=C(CCc1ccccc1F)N(Cc1ccccc1)Cc1ccccc1 ZINC000078958595 217157168 /nfs/dbraw/zinc/15/71/68/217157168.db2.gz IWRZPJCASWJQQS-UHFFFAOYSA-N 0 0 347.433 4.987 50 0 EJAARN Cc1cccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc32)c1 ZINC000016504011 211911248 /nfs/dbraw/zinc/91/12/48/211911248.db2.gz VJEDEGYWOZPLEW-UHFFFAOYSA-N 0 0 339.398 4.858 50 0 EJAARN O=C(OCc1ccccc1)c1ccc2cc(Br)ccc2c1 ZINC000016480303 211908287 /nfs/dbraw/zinc/90/82/87/211908287.db2.gz SFPJCHHSVUCDIR-UHFFFAOYSA-N 0 0 341.204 4.959 50 0 EJAARN O=C(Nc1ccc(F)cc1NC1CC1)c1ccc(Cl)cc1Cl ZINC000079105873 217194139 /nfs/dbraw/zinc/19/41/39/217194139.db2.gz IGVYFQAWDBITQF-UHFFFAOYSA-N 0 0 339.197 4.959 50 0 EJAARN CCN(c1ccc(NC(=O)c2ccccc2OC(F)F)cc1)C(C)C ZINC000015991986 211873483 /nfs/dbraw/zinc/87/34/83/211873483.db2.gz CJEOPHWRSFRBLW-UHFFFAOYSA-N 0 0 348.393 4.775 50 0 EJAARN COc1ccccc1NC(=O)N1CCCCC[C@@H]1c1cccs1 ZINC000015867041 211865106 /nfs/dbraw/zinc/86/51/06/211865106.db2.gz LXUWLOLMZIMEFC-OAHLLOKOSA-N 0 0 330.453 4.906 50 0 EJAARN CC(C)[C@H]1SCC(=O)Nc2c1cnn2Cc1ccc(Cl)cc1 ZINC000079495483 217234111 /nfs/dbraw/zinc/23/41/11/217234111.db2.gz TZRVBDXSUJKWTA-OAHLLOKOSA-N 0 0 335.860 4.617 50 0 EJAARN CCc1ccc(NC(=O)CSc2nccn2C2CCCCC2)cc1 ZINC000015825312 211856613 /nfs/dbraw/zinc/85/66/13/211856613.db2.gz VTOBAXAKQYUNBN-UHFFFAOYSA-N 0 0 343.496 4.682 50 0 EJAARN Cc1nc(-c2cccs2)c(CC(=O)Nc2cccc(F)c2)s1 ZINC000015840219 211860447 /nfs/dbraw/zinc/86/04/47/211860447.db2.gz FKLLFMMBXWJNDO-UHFFFAOYSA-N 0 0 332.425 4.500 50 0 EJAARN O=C(NCC(c1ccccc1)c1ccccc1)c1cc2ccccc2o1 ZINC000015789150 211853383 /nfs/dbraw/zinc/85/33/83/211853383.db2.gz OJGIMNAEQCHZJG-UHFFFAOYSA-N 0 0 341.410 4.995 50 0 EJAARN COc1ccc(C)cc1NC(=O)[C@H](C)Sc1ccc(Cl)cc1 ZINC000015682715 211844321 /nfs/dbraw/zinc/84/43/21/211844321.db2.gz HUHWLFVFPLJYSY-LBPRGKRZSA-N 0 0 335.856 4.776 50 0 EJAARN C[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1cccc2ccccc21 ZINC000015741571 211849244 /nfs/dbraw/zinc/84/92/44/211849244.db2.gz HGBTURFHLAQWNY-HNNXBMFYSA-N 0 0 328.415 4.741 50 0 EJAARN COc1ccc(C)cc1NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 ZINC000015614892 211835257 /nfs/dbraw/zinc/83/52/57/211835257.db2.gz VGARAIKAAQKOGP-CYBMUJFWSA-N 0 0 348.446 4.862 50 0 EJAARN COc1ccc(N[C@H](C)c2nnc(-c3ccccc3)o2)cc1Cl ZINC000015471471 211827059 /nfs/dbraw/zinc/82/70/59/211827059.db2.gz PXSXEHZRGADEDF-LLVKDONJSA-N 0 0 329.787 4.572 50 0 EJAARN Cc1cccc(OCCS[C@@H](C)C(=O)Nc2ccccc2Cl)c1 ZINC000015492272 211826950 /nfs/dbraw/zinc/82/69/50/211826950.db2.gz IGZMAJADLSWDBG-AWEZNQCLSA-N 0 0 349.883 4.788 50 0 EJAARN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Oc1cccc(C)c1C ZINC000015366688 211820024 /nfs/dbraw/zinc/82/00/24/211820024.db2.gz SLLBBNGKVPOPLP-CQSZACIVSA-N 0 0 347.842 4.680 50 0 EJAARN C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000015330518 211816051 /nfs/dbraw/zinc/81/60/51/211816051.db2.gz HDQSITMDGZHVAM-SNVBAGLBSA-N 0 0 341.354 4.546 50 0 EJAARN COc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000080343959 217298838 /nfs/dbraw/zinc/29/88/38/217298838.db2.gz XDWMESPLJRKDFP-UONOGXRCSA-N 0 0 336.218 4.744 50 0 EJAARN Cc1c2ccccc2oc1C(=O)OCc1coc(-c2ccccc2)n1 ZINC000015087982 211803172 /nfs/dbraw/zinc/80/31/72/211803172.db2.gz DLDOJCMCVZIJGM-UHFFFAOYSA-N 0 0 333.343 4.753 50 0 EJAARN O=C(Nc1cccnc1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000000141249 205409074 /nfs/dbraw/zinc/40/90/74/205409074.db2.gz DAJWUEIOYQHXNB-UHFFFAOYSA-N 0 0 338.794 4.566 50 0 EJAARN O=C(Nc1ccccc1)c1nc2ccccc2c(Nc2ccccc2)n1 ZINC000000149361 205417336 /nfs/dbraw/zinc/41/73/36/205417336.db2.gz COWLDHHBCOVWCA-UHFFFAOYSA-N 0 0 340.386 4.626 50 0 EJAARN COc1cc2c(cc1OC)[C@H](c1ccc(F)cc1)O[C@H]1CCCC[C@@H]21 ZINC000015023638 211791374 /nfs/dbraw/zinc/79/13/74/211791374.db2.gz YCLLGORVUPSCES-XERREHJYSA-N 0 0 342.410 4.989 50 0 EJAARN O=C(c1cccs1)N(Cc1ccc(OCC2CCC2)cc1)C1CC1 ZINC000014997866 211785171 /nfs/dbraw/zinc/78/51/71/211785171.db2.gz WZHSOZJDLGZRPM-UHFFFAOYSA-N 0 0 341.476 4.732 50 0 EJAARN CCC(=O)Oc1c(=O)c2cc(C)ccc2oc1-c1ccccc1Cl ZINC000001941934 205602087 /nfs/dbraw/zinc/60/20/87/205602087.db2.gz VDIDZXCIWHCAKU-UHFFFAOYSA-N 0 0 342.778 4.737 50 0 EJAARN CCn1c2ccccc2nc1SCC(=O)c1cc2ccccc2o1 ZINC000005902355 205785374 /nfs/dbraw/zinc/78/53/74/205785374.db2.gz LOAUOXSIPYLWNI-UHFFFAOYSA-N 0 0 336.416 4.777 50 0 EJAARN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(OC(F)F)cc1 ZINC000005512206 205773136 /nfs/dbraw/zinc/77/31/36/205773136.db2.gz MJYIIHNZGXALBL-UHFFFAOYSA-N 0 0 335.394 4.833 50 0 EJAARN Cc1ccc(-c2csc(NC(=O)c3cccc(F)c3)n2)cc1C ZINC000006509458 205808399 /nfs/dbraw/zinc/80/83/99/205808399.db2.gz PCXQAXMVEPDXFE-UHFFFAOYSA-N 0 0 326.396 4.818 50 0 EJAARN Cc1cccc(CSCC(=O)N[C@H](C)c2ccccc2Cl)c1 ZINC000006648229 205818760 /nfs/dbraw/zinc/81/87/60/205818760.db2.gz RJHWCUHRQJJCMR-CQSZACIVSA-N 0 0 333.884 4.759 50 0 EJAARN CC(C)[C@@H](NC(=O)c1ccc(Br)cc1)c1cccs1 ZINC000007924974 205840379 /nfs/dbraw/zinc/84/03/79/205840379.db2.gz LWAVHCACZDRBDO-CQSZACIVSA-N 0 0 338.270 4.638 50 0 EJAARN COc1ccc2oc(C(=O)N3CCC[C@H]4CCCC[C@H]43)c(C)c2c1 ZINC000007690000 205841718 /nfs/dbraw/zinc/84/17/18/205841718.db2.gz SORNPEHOJDVEMC-RHSMWYFYSA-N 0 0 327.424 4.545 50 0 EJAARN C[C@H](Sc1ccc(Cl)cc1)C(=O)NCC1(c2ccccc2)CC1 ZINC000014252631 211724269 /nfs/dbraw/zinc/72/42/69/211724269.db2.gz IZYGOIJAVBFYHC-AWEZNQCLSA-N 0 0 345.895 4.669 50 0 EJAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000014123473 211686785 /nfs/dbraw/zinc/68/67/85/211686785.db2.gz CCILUWQHGBPNOX-UHFFFAOYSA-N 0 0 344.823 4.724 50 0 EJAARN CN(Cc1ccccc1C(F)(F)F)C(=O)c1cc2c(s1)CCC2 ZINC000083865539 217560679 /nfs/dbraw/zinc/56/06/79/217560679.db2.gz QIGBDHDMPMFYGJ-UHFFFAOYSA-N 0 0 339.382 4.528 50 0 EJAARN CC(C)c1ccc(C(=O)Nc2ccc(Br)cc2F)cc1 ZINC000000459823 206241615 /nfs/dbraw/zinc/24/16/15/206241615.db2.gz LQNLNRUYRXYAMU-UHFFFAOYSA-N 0 0 336.204 4.964 50 0 EJAARN Cc1cc(C)c(NS(=O)(=O)c2cccc3ccccc32)c(C)c1 ZINC000000472486 206241830 /nfs/dbraw/zinc/24/18/30/206241830.db2.gz QECXDWMWSBLQAJ-UHFFFAOYSA-N 0 0 325.433 4.566 50 0 EJAARN CC1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1 ZINC000000559725 206243089 /nfs/dbraw/zinc/24/30/89/206243089.db2.gz SLVCYOXHTUDFTH-UHFFFAOYSA-N 0 0 328.843 4.829 50 0 EJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(C(C)C)cc1 ZINC000001284154 206268060 /nfs/dbraw/zinc/26/80/60/206268060.db2.gz RVVVJSVTWFUVGU-UHFFFAOYSA-N 0 0 345.464 4.917 50 0 EJAARN Cc1cc(F)ccc1NC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000013321292 211545245 /nfs/dbraw/zinc/54/52/45/211545245.db2.gz IKVKYOMYWUUCRE-UHFFFAOYSA-N 0 0 328.334 4.962 50 0 EJAARN CC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 ZINC000013130636 211526359 /nfs/dbraw/zinc/52/63/59/211526359.db2.gz AJAHXBHUQRMZKI-ITWOAWKNSA-N 0 0 330.431 4.830 50 0 EJAARN Nc1cc(-c2ccc(Br)cc2)nn1-c1ccc(Cl)cc1 ZINC000002532547 206384697 /nfs/dbraw/zinc/38/46/97/206384697.db2.gz JHFFAUNKKUHMEL-UHFFFAOYSA-N 0 0 348.631 4.537 50 0 EJAARN CCCn1c(CNc2ccc(Br)cc2)nc2ccccc21 ZINC000002459659 206385567 /nfs/dbraw/zinc/38/55/67/206385567.db2.gz CQLRDFWDUMULPG-UHFFFAOYSA-N 0 0 344.256 4.821 50 0 EJAARN O=C(Nc1ccc(Cl)cc1)N[C@H]1CCSc2ccc(F)cc21 ZINC000013003026 211508202 /nfs/dbraw/zinc/50/82/02/211508202.db2.gz CJMJSRBZRPGSNF-AWEZNQCLSA-N 0 0 336.819 4.838 50 0 EJAARN O=C(/C=C/c1ccccc1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000012989927 211503139 /nfs/dbraw/zinc/50/31/39/211503139.db2.gz DOFAPCLFYIOPPP-UJGDBWEASA-N 0 0 334.444 4.673 50 0 EJAARN Cc1c(C(=O)Nc2ccc(F)c(Cl)c2)cnn1-c1cccc(C)c1 ZINC000012973016 211495622 /nfs/dbraw/zinc/49/56/22/211495622.db2.gz WPXOSHPTTRCYBN-UHFFFAOYSA-N 0 0 343.789 4.534 50 0 EJAARN Cc1ccc(C)c2sc(NC(=O)c3ccc(Cl)cc3F)nc21 ZINC000012920493 211484063 /nfs/dbraw/zinc/48/40/63/211484063.db2.gz PROXWUKDAPVEIO-UHFFFAOYSA-N 0 0 334.803 4.958 50 0 EJAARN Cc1nc(-c2cccs2)sc1C(=O)N(C)Cc1cccc(F)c1 ZINC000012915658 211482473 /nfs/dbraw/zinc/48/24/73/211482473.db2.gz WNDGSDLMHLKZSA-UHFFFAOYSA-N 0 0 346.452 4.591 50 0 EJAARN COc1ccc(-c2csc(-n3nccc3-c3ccccc3)n2)cc1 ZINC000012952435 211493505 /nfs/dbraw/zinc/49/35/05/211493505.db2.gz AAUFCJWIKWKNSI-UHFFFAOYSA-N 0 0 333.416 4.671 50 0 EJAARN Cc1cc(=S)n2nc(-c3ccc(C(F)(F)F)cc3)sc2n1 ZINC000012953851 211492911 /nfs/dbraw/zinc/49/29/11/211492911.db2.gz JYENTKORVGXKCM-UHFFFAOYSA-N 0 0 327.356 4.515 50 0 EJAARN CC(=O)Nc1ccc(NC(=O)c2cc3c(s2)CCCCCC3)cc1 ZINC000012946222 211491257 /nfs/dbraw/zinc/49/12/57/211491257.db2.gz DUEWWFVQUFVBED-UHFFFAOYSA-N 0 0 342.464 4.618 50 0 EJAARN COc1cccc(-c2csc(-c3cccc(OC)c3OC)n2)c1 ZINC000012927851 211486908 /nfs/dbraw/zinc/48/69/08/211486908.db2.gz QJTZBSCWTCNMFD-UHFFFAOYSA-N 0 0 327.405 4.503 50 0 EJAARN CC[C@H](NC(=O)Cc1coc2cc(C)ccc12)c1ccc(OC)cc1 ZINC000012806298 211461711 /nfs/dbraw/zinc/46/17/11/211461711.db2.gz GUHJGFUAWDXFOB-IBGZPJMESA-N 0 0 337.419 4.560 50 0 EJAARN Cc1oc(-c2cccc3ccccc32)nc1CN(C)[C@H](C)c1ccon1 ZINC000012717670 211438938 /nfs/dbraw/zinc/43/89/38/211438938.db2.gz NAFSXYXQLFOTKH-CQSZACIVSA-N 0 0 347.418 4.984 50 0 EJAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1N1CCCC1 ZINC000012643819 211427757 /nfs/dbraw/zinc/42/77/57/211427757.db2.gz XCXPMDXAMLGWIG-UHFFFAOYSA-N 0 0 347.418 4.503 50 0 EJAARN C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccccc1F ZINC000012760571 211448827 /nfs/dbraw/zinc/44/88/27/211448827.db2.gz LFFNBSKXSBXBAA-LBPRGKRZSA-N 0 0 335.806 4.514 50 0 EJAARN CC(C)(C)C1CCC(C(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000012761266 211448440 /nfs/dbraw/zinc/44/84/40/211448440.db2.gz RBVNHWRJMTUKPW-UHFFFAOYSA-N 0 0 326.484 4.679 50 0 EJAARN Cc1ccc2nc(NCc3cccnc3)nc(-c3ccccc3)c2c1 ZINC000012528165 211399874 /nfs/dbraw/zinc/39/98/74/211399874.db2.gz HUWJMAWORWXJQT-UHFFFAOYSA-N 0 0 326.403 4.612 50 0 EJAARN O=C(Cc1cc(-c2ccc(Cl)cc2)on1)NCCC1=CCCCC1 ZINC000012422175 211376759 /nfs/dbraw/zinc/37/67/59/211376759.db2.gz HCFBMNOPIBKWBJ-UHFFFAOYSA-N 0 0 344.842 4.544 50 0 EJAARN O=C(Nc1c(-c2ccc(F)cc2)nc2sccn21)c1cccs1 ZINC000012520597 211398117 /nfs/dbraw/zinc/39/81/17/211398117.db2.gz VQSDAANJISACCB-UHFFFAOYSA-N 0 0 343.408 4.516 50 0 EJAARN O=C(NC1CCCCCC1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000012511764 211395497 /nfs/dbraw/zinc/39/54/97/211395497.db2.gz RCQCXXIRFQWMCB-UHFFFAOYSA-N 0 0 345.446 4.749 50 0 EJAARN O=C(CSc1nc2cc(Cl)ccc2[nH]1)c1c[nH]c2ccccc12 ZINC000012508111 211394555 /nfs/dbraw/zinc/39/45/55/211394555.db2.gz LDBMUOFBARYYRY-UHFFFAOYSA-N 0 0 341.823 4.673 50 0 EJAARN COCc1cc(C)nc2sc(-c3ccccn3)c(-n3cccc3)c21 ZINC000012445386 211384898 /nfs/dbraw/zinc/38/48/98/211384898.db2.gz JNEYZSJWKIRHSA-UHFFFAOYSA-N 0 0 335.432 4.604 50 0 EJAARN O=C(Nc1ccccc1-c1nc(-c2ccccc2)no1)c1cccs1 ZINC000012377043 211359821 /nfs/dbraw/zinc/35/98/21/211359821.db2.gz DWFCVLANIPULLJ-UHFFFAOYSA-N 0 0 347.399 4.717 50 0 EJAARN O=C1[C@@H]2[C@@H](c3nc4ccccc4n31)C1c3ccccc3C2c2ccccc21 ZINC000012378054 211359700 /nfs/dbraw/zinc/35/97/00/211359700.db2.gz YKWULJVVXOGHSJ-UJKMTWAASA-N 0 0 348.405 4.681 50 0 EJAARN O=C([O-])[C@H](c1c2ccccc2[nH]c1-c1ccccc1)[NH+]1CCCCCC1 ZINC000012407723 211370064 /nfs/dbraw/zinc/37/00/64/211370064.db2.gz UTWLOFXKVCTXPO-NRFANRHFSA-N 0 0 348.446 4.837 50 0 EJAARN CCCC(=O)Nc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 ZINC000012404370 211369119 /nfs/dbraw/zinc/36/91/19/211369119.db2.gz DWBDWSWBLJKIJG-UHFFFAOYSA-N 0 0 331.803 4.723 50 0 EJAARN CCOC(=O)c1sc(Nc2cc(C)ccc2C)nc1C(F)(F)F ZINC000012394358 211368252 /nfs/dbraw/zinc/36/82/52/211368252.db2.gz QTKXSQWDKKWKRS-UHFFFAOYSA-N 0 0 344.358 4.699 50 0 EJAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1nc2ccccc2[nH]1 ZINC000012384887 211363542 /nfs/dbraw/zinc/36/35/42/211363542.db2.gz 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/nfs/dbraw/zinc/98/69/62/563986962.db2.gz ZFBVDOGFSRDLHY-UHFFFAOYSA-N 0 0 325.191 4.540 50 0 EJAARN O=C(CSc1ccccc1Br)c1c[nH]c2ccccc21 ZINC000016360471 564024520 /nfs/dbraw/zinc/02/45/20/564024520.db2.gz PTXIAVQMUSZSDQ-UHFFFAOYSA-N 0 0 346.249 4.905 50 0 EJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1Br ZINC000000254945 564012288 /nfs/dbraw/zinc/01/22/88/564012288.db2.gz CICQVRULEXWWCJ-UHFFFAOYSA-N 0 0 344.130 4.720 50 0 EJAARN C[C@H]1C[C@@H](c2nc(-c3cccc(Br)c3)cs2)CCO1 ZINC000000497076 564018087 /nfs/dbraw/zinc/01/80/87/564018087.db2.gz YNLILRFUBKENFI-JQWIXIFHSA-N 0 0 338.270 4.855 50 0 EJAARN CCNc1nc(Sc2cccc(Cl)c2)cc(C(F)(F)F)n1 ZINC000001396715 564064891 /nfs/dbraw/zinc/06/48/91/564064891.db2.gz STHCNBGHNYQYMI-UHFFFAOYSA-N 0 0 333.766 4.732 50 0 EJAARN CCC1CCC(NC(=O)Nc2ccccc2Br)CC1 ZINC000013745424 564111976 /nfs/dbraw/zinc/11/19/76/564111976.db2.gz LNXFOFGLIVOLDS-UHFFFAOYSA-N 0 0 325.250 4.539 50 0 EJAARN CCOc1ccccc1NC(=O)c1c(Cl)ccc(Cl)c1OC ZINC000000094864 563223609 /nfs/dbraw/zinc/22/36/09/563223609.db2.gz AAXAIRZTLQXHGF-UHFFFAOYSA-N 0 0 340.206 4.653 50 0 EJAARN CSc1nc2ccccc2n1Cc1ccccc1Br ZINC000000312375 563281310 /nfs/dbraw/zinc/28/13/10/563281310.db2.gz ZXYNXURWFJHQAE-UHFFFAOYSA-N 0 0 333.254 4.569 50 0 EJAARN Cc1cc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1C ZINC000000571060 563349657 /nfs/dbraw/zinc/34/96/57/563349657.db2.gz ZUTQBUQRXQAHRY-UHFFFAOYSA-N 0 0 344.263 4.719 50 0 EJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc(F)c(F)cc1Cl ZINC000002864479 563457651 /nfs/dbraw/zinc/45/76/51/563457651.db2.gz XUIAYRCNCMTYFE-UHFFFAOYSA-N 0 0 335.659 4.889 50 0 EJAARN CCOC(=O)c1sc(S[C@H](C)CC)c2c1CC(C)(C)CC2=O ZINC000004286216 563499032 /nfs/dbraw/zinc/49/90/32/563499032.db2.gz AMPIBRMRXUZXOA-SNVBAGLBSA-N 0 0 340.510 4.971 50 0 EJAARN FC(F)(F)c1cccc(Nc2ncnc3sc4c(c32)CCC4)c1 ZINC000000038239 563212182 /nfs/dbraw/zinc/21/21/82/563212182.db2.gz MUKDUJGTAANHBR-UHFFFAOYSA-N 0 0 335.354 4.942 50 0 EJAARN CC(C)c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000000044385 563213133 /nfs/dbraw/zinc/21/31/33/563213133.db2.gz ZPIOGPWJJRYFSQ-UHFFFAOYSA-N 0 0 337.341 4.846 50 0 EJAARN COc1ccc2c(Cl)c(C(=O)N3CCc4ccccc43)sc2c1 ZINC000000045938 563213194 /nfs/dbraw/zinc/21/31/94/563213194.db2.gz VXFPRIIRVMWHOX-UHFFFAOYSA-N 0 0 343.835 4.766 50 0 EJAARN C[C@H](Oc1ccc(Cl)cc1Cl)c1nc(-c2ccccn2)no1 ZINC000000070473 563215098 /nfs/dbraw/zinc/21/50/98/563215098.db2.gz HFQAKYAHERVUPT-VIFPVBQESA-N 0 0 336.178 4.578 50 0 EJAARN CCOC(=O)c1cnc2c(C)cc(C)cc2c1NCc1ccccc1 ZINC000000071927 563215832 /nfs/dbraw/zinc/21/58/32/563215832.db2.gz HOOSFQYZMVTXAO-UHFFFAOYSA-N 0 0 334.419 4.640 50 0 EJAARN O=C(Nc1cc(F)c(Br)cc1F)c1ccc(Cl)cc1 ZINC000000074480 563216643 /nfs/dbraw/zinc/21/66/43/563216643.db2.gz ODOHWZUZGUDPTI-UHFFFAOYSA-N 0 0 346.558 4.633 50 0 EJAARN C[C@H]1CCc2sc3ncnc(Nc4ccc(N(C)C)cc4)c3c2C1 ZINC000000085743 563219985 /nfs/dbraw/zinc/21/99/85/563219985.db2.gz IHNPNYIENBLEFY-LBPRGKRZSA-N 0 0 338.480 4.626 50 0 EJAARN COc1cc2c(c3c1C(=O)C[C@@H](c1ccccc1)O3)C=CC(C)(C)O2 ZINC000000086470 563220425 /nfs/dbraw/zinc/22/04/25/563220425.db2.gz ITOTUSMHIQFNHJ-INIZCTEOSA-N 0 0 336.387 4.586 50 0 biogenic,in-vitro EJAARN COc1cc2ccccc2cc1C(=O)Nc1nc2ccccc2s1 ZINC000000097698 563224646 /nfs/dbraw/zinc/22/46/46/563224646.db2.gz HKQOVKBQGAOTOP-UHFFFAOYSA-N 0 0 334.400 4.710 50 0 EJAARN COc1ccccc1Cn1c2ccccc2nc1-c1ccccc1OC ZINC000000099149 563225290 /nfs/dbraw/zinc/22/52/90/563225290.db2.gz BOEYUPXPCHEKSH-UHFFFAOYSA-N 0 0 344.414 4.769 50 0 EJAARN S=C(Nc1ccc(Br)cc1Cl)N1CCCCCC1 ZINC000000099080 563225295 /nfs/dbraw/zinc/22/52/95/563225295.db2.gz NXLJBTBBOPPQPV-UHFFFAOYSA-N 0 0 347.709 4.675 50 0 EJAARN FC(F)(F)c1ccc(Cl)c(NC(=S)NC2CCCCC2)c1 ZINC000000099115 563225367 /nfs/dbraw/zinc/22/53/67/563225367.db2.gz KSAKFUPQKMAALM-UHFFFAOYSA-N 0 0 336.810 4.978 50 0 EJAARN COc1ccc(-c2nnc(Nc3cccc(O)c3)c3ccccc32)cc1 ZINC000000103850 563226537 /nfs/dbraw/zinc/22/65/37/563226537.db2.gz XLDYHJSHESQKEF-UHFFFAOYSA-N 0 0 343.386 4.755 50 0 EJAARN O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cccc(F)c1 ZINC000000106097 563227878 /nfs/dbraw/zinc/22/78/78/563227878.db2.gz PEPOXLSCVCSOGI-UHFFFAOYSA-N 0 0 331.350 4.621 50 0 EJAARN O=C1[C@H]2[C@H](c3nc4ccccc4n31)C1c3ccccc3C2c2ccccc21 ZINC000000107169 563228414 /nfs/dbraw/zinc/22/84/14/563228414.db2.gz YKWULJVVXOGHSJ-LIKPIUCQSA-N 0 0 348.405 4.681 50 0 EJAARN CCOC(=O)c1csc(-c2ccc(C(F)(F)F)cc2Cl)n1 ZINC000000107488 563228553 /nfs/dbraw/zinc/22/85/53/563228553.db2.gz IDDJHHRDUOLDPC-UHFFFAOYSA-N 0 0 335.734 4.659 50 0 EJAARN CCOC(=O)c1sc(-c2ccc(C(F)(F)F)cc2Cl)nc1C ZINC000000107879 563228616 /nfs/dbraw/zinc/22/86/16/563228616.db2.gz KPJFULMSFUENKO-UHFFFAOYSA-N 0 0 349.761 4.967 50 0 EJAARN CC1(C)Oc2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2O1 ZINC000000114775 563231381 /nfs/dbraw/zinc/23/13/81/563231381.db2.gz HOKPWZPURSFAAC-UHFFFAOYSA-N 0 0 337.419 4.644 50 0 EJAARN CC(C)OC(=O)c1c(N)scc1-c1ccc(Cl)cc1Cl ZINC000000115309 563231909 /nfs/dbraw/zinc/23/19/09/563231909.db2.gz CRQCVYUADPRKGV-UHFFFAOYSA-N 0 0 330.236 4.869 50 0 EJAARN CCC[C@H](C)NC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000000117330 563232515 /nfs/dbraw/zinc/23/25/15/563232515.db2.gz OKCNOPGSYDQNKV-VIFPVBQESA-N 0 0 341.238 4.875 50 0 EJAARN O=C(Nc1cccnc1)c1cc(-c2ccccc2)oc1C(F)(F)F ZINC000000119856 563233717 /nfs/dbraw/zinc/23/37/17/563233717.db2.gz CFJUHYDQWTYQQH-UHFFFAOYSA-N 0 0 332.281 4.613 50 0 EJAARN COc1ccc2c(Cl)c(C(=O)n3cnc4ccccc43)sc2c1 ZINC000000119489 563233761 /nfs/dbraw/zinc/23/37/61/563233761.db2.gz MMXNYGPGDGHEFS-UHFFFAOYSA-N 0 0 342.807 4.602 50 0 EJAARN CCn1c(CSc2nc3ccccc3s2)nc2ccccc21 ZINC000000120265 563234134 /nfs/dbraw/zinc/23/41/34/563234134.db2.gz FSNNDSGFFABAIQ-UHFFFAOYSA-N 0 0 325.462 4.958 50 0 EJAARN Cc1noc(-c2ccc(Cl)cc2)c1C(=O)Nc1ccc(C)cc1 ZINC000000120889 563234162 /nfs/dbraw/zinc/23/41/62/563234162.db2.gz OVBSIERUVORTGY-UHFFFAOYSA-N 0 0 326.783 4.864 50 0 EJAARN CCOC(=O)c1sc(SC)c2c1C[C@H](c1ccccc1)CC2=O ZINC000000125648 563236532 /nfs/dbraw/zinc/23/65/32/563236532.db2.gz QQSDCLYLNUEVHU-LBPRGKRZSA-N 0 0 346.473 4.559 50 0 EJAARN c1nc(COc2ccccc2)sc1-c1ccc2c(c1)OCCCO2 ZINC000000127655 563237358 /nfs/dbraw/zinc/23/73/58/563237358.db2.gz HHGNFOIUENXEGT-UHFFFAOYSA-N 0 0 339.416 4.550 50 0 EJAARN CSc1cc(C(F)(F)F)c(C(=O)Nc2ccc(Cl)cc2)cn1 ZINC000000130655 563238296 /nfs/dbraw/zinc/23/82/96/563238296.db2.gz GHCSCODTICBQSH-UHFFFAOYSA-N 0 0 346.761 4.728 50 0 EJAARN CC(=O)[C@@H](C)Sc1ncnc2scc(-c3ccc(C)cc3)c21 ZINC000000132319 563239135 /nfs/dbraw/zinc/23/91/35/563239135.db2.gz JFJGRQQCHKGYSZ-GFCCVEGCSA-N 0 0 328.462 4.736 50 0 EJAARN Cc1ccc(Cc2cnc(NC(=O)/C=C/c3ccccc3)s2)cc1 ZINC000000134164 563239871 /nfs/dbraw/zinc/23/98/71/563239871.db2.gz PBJQLPMFWQAJAB-VAWYXSNFSA-N 0 0 334.444 4.694 50 0 EJAARN Cc1cc(=O)oc2cc(OCc3c(Cl)cccc3Cl)ccc12 ZINC000000140351 563241856 /nfs/dbraw/zinc/24/18/56/563241856.db2.gz JGTBYDRYRSMJPX-UHFFFAOYSA-N 0 0 335.186 4.987 50 0 EJAARN Cc1ccc(NC(=O)CCCC(=O)Nc2ccc(C)c(C)c2)cc1C ZINC000000143604 563243271 /nfs/dbraw/zinc/24/32/71/563243271.db2.gz OGUDQAGKEYJXFK-UHFFFAOYSA-N 0 0 338.451 4.668 50 0 EJAARN O=C(Nc1cccc(-c2cnco2)c1)c1ccc(C(F)(F)F)cc1 ZINC000000146009 563244515 /nfs/dbraw/zinc/24/45/15/563244515.db2.gz TWAVYDRSRJZCEV-UHFFFAOYSA-N 0 0 332.281 4.613 50 0 EJAARN CCOc1ccccc1OCC(=O)Oc1ccc(C)cc1C(C)(C)C ZINC000000148515 563245117 /nfs/dbraw/zinc/24/51/17/563245117.db2.gz ACBHELNIQWERLR-UHFFFAOYSA-N 0 0 342.435 4.676 50 0 EJAARN Cc1ccc(-c2csc(NC(=O)CCc3ccccc3)n2)cc1C ZINC000000149048 563245433 /nfs/dbraw/zinc/24/54/33/563245433.db2.gz DIZBXRIAZZZOIP-UHFFFAOYSA-N 0 0 336.460 4.998 50 0 EJAARN CCOC(=O)c1c(NC(=O)C(C)(C)C)sc(C)c1-c1ccccc1 ZINC000000149140 563245444 /nfs/dbraw/zinc/24/54/44/563245444.db2.gz KIQVWHMGVUGIGI-UHFFFAOYSA-N 0 0 345.464 4.885 50 0 EJAARN O=C(Nc1ccc(Oc2cccc(C(F)(F)F)c2)nc1)c1ccco1 ZINC000000155321 563247371 /nfs/dbraw/zinc/24/73/71/563247371.db2.gz LSWKAQQNAGNBPQ-UHFFFAOYSA-N 0 0 348.280 4.738 50 0 EJAARN O=c1oc(-c2cccc(C(F)(F)F)c2)nc2cccc(Cl)c12 ZINC000000167210 563249943 /nfs/dbraw/zinc/24/99/43/563249943.db2.gz LHNREOJHTPAPPR-UHFFFAOYSA-N 0 0 325.673 4.527 50 0 EJAARN Cc1ccccc1C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000000172785 563252026 /nfs/dbraw/zinc/25/20/26/563252026.db2.gz YOZOMQBSGMTMOH-UHFFFAOYSA-N 0 0 336.416 4.561 50 0 EJAARN C[C@@H]1C[C@H](N(C(=O)c2ccco2)c2ccccc2)c2ccccc2N1 ZINC000000173890 563252243 /nfs/dbraw/zinc/25/22/43/563252243.db2.gz FUJJYWHEWLAICE-BEFAXECRSA-N 0 0 332.403 4.872 50 0 EJAARN CCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1OCC ZINC000000176823 563253037 /nfs/dbraw/zinc/25/30/37/563253037.db2.gz XEGIZFARXLUFFL-UHFFFAOYSA-N 0 0 327.424 4.860 50 0 EJAARN Cc1cccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)c1 ZINC000000176000 563253049 /nfs/dbraw/zinc/25/30/49/563253049.db2.gz XOEZGULUWZGRIS-UHFFFAOYSA-N 0 0 344.370 4.761 50 0 EJAARN C[C@H](NC(=O)C1c2ccccc2Oc2ccccc21)c1ccccc1 ZINC000000182600 563254776 /nfs/dbraw/zinc/25/47/76/563254776.db2.gz WIPLFLKYMVWDOU-HNNXBMFYSA-N 0 0 329.399 4.802 50 0 EJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(Cl)cn1 ZINC000000183867 563255206 /nfs/dbraw/zinc/25/52/06/563255206.db2.gz GKDJSYQRPWZACW-UHFFFAOYSA-N 0 0 348.189 4.604 50 0 EJAARN Cc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1 ZINC000000190195 563256213 /nfs/dbraw/zinc/25/62/13/563256213.db2.gz UZGJKBHLERIDTJ-UHFFFAOYSA-N 0 0 327.387 4.791 50 0 EJAARN COc1cccc(OC)c1C(=O)Nc1ccccc1-c1ccccc1 ZINC000000215102 563261955 /nfs/dbraw/zinc/26/19/55/563261955.db2.gz MGYVRRALLOOZDV-UHFFFAOYSA-N 0 0 333.387 4.623 50 0 EJAARN Cc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(C)c3)c2)c1 ZINC000000226146 563263120 /nfs/dbraw/zinc/26/31/20/563263120.db2.gz GONFYUVPWPOVIQ-UHFFFAOYSA-N 0 0 344.414 4.808 50 0 EJAARN CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1Br ZINC000000238164 563264472 /nfs/dbraw/zinc/26/44/72/563264472.db2.gz DINPLLQOFFWJIV-UHFFFAOYSA-N 0 0 348.240 4.717 50 0 EJAARN CCc1cc(-c2onc(C)c2-c2ccc(OC)cc2)c(O)cc1OC ZINC000000238482 563264514 /nfs/dbraw/zinc/26/45/14/563264514.db2.gz FDWOVBYFCVMMAO-UHFFFAOYSA-N 0 0 339.391 4.602 50 0 biogenic EJAARN Cc1ccc(OC(=O)c2ccc3c(c2)-c2ccccc2C3=O)cc1C ZINC000000240417 563265010 /nfs/dbraw/zinc/26/50/10/563265010.db2.gz CIAOSSGOZKLZQT-UHFFFAOYSA-N 0 0 328.367 4.734 50 0 EJAARN CC[C@@H](C)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000000245849 563266212 /nfs/dbraw/zinc/26/62/12/563266212.db2.gz WWAWCXSEGBRVOA-CQSZACIVSA-N 0 0 331.481 4.926 50 0 EJAARN O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(F)cc1 ZINC000000265186 563268731 /nfs/dbraw/zinc/26/87/31/563268731.db2.gz HZNNDORNHGSURB-HXUWFJFHSA-N 0 0 334.346 4.607 50 0 EJAARN CC1(C)Nc2ccccc2N(Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000000267415 563269341 /nfs/dbraw/zinc/26/93/41/563269341.db2.gz JYPCNPRHNHLGQY-UHFFFAOYSA-N 0 0 335.234 4.731 50 0 EJAARN Cc1ccc(Cn2c3ccccc3nc2NC(=O)c2cccs2)cc1 ZINC000000273347 563270248 /nfs/dbraw/zinc/27/02/48/563270248.db2.gz ZHAQYTYHTHFYPO-UHFFFAOYSA-N 0 0 347.443 4.707 50 0 EJAARN COC(=O)c1ccc(CNc2cc(-c3ccccc3)ccc2OC)cc1 ZINC000000277148 563271061 /nfs/dbraw/zinc/27/10/61/563271061.db2.gz WHZKRWHWSZIEFS-UHFFFAOYSA-N 0 0 347.414 4.761 50 0 EJAARN Cc1cc(=O)oc2cc(OCc3ccccc3Cl)c(Cl)cc12 ZINC000000278235 563271539 /nfs/dbraw/zinc/27/15/39/563271539.db2.gz WGXJKSBANOCESO-UHFFFAOYSA-N 0 0 335.186 4.987 50 0 EJAARN COc1ccc(CNc2cc(-c3ccccc3)ccc2OC)cc1O ZINC000000280458 563271903 /nfs/dbraw/zinc/27/19/03/563271903.db2.gz AVOSPNFVMZBFBU-UHFFFAOYSA-N 0 0 335.403 4.689 50 0 EJAARN O=c1c2ccccc2nc(Cc2ccccc2)n1-c1ccccc1Cl ZINC000000287774 563273038 /nfs/dbraw/zinc/27/30/38/563273038.db2.gz YAJDNOBSRLATBN-UHFFFAOYSA-N 0 0 346.817 4.630 50 0 EJAARN O=C(COc1ccc2ccccc2c1)Nc1cccc(C(F)(F)F)c1 ZINC000000289346 563273448 /nfs/dbraw/zinc/27/34/48/563273448.db2.gz NIMRZVJKWVVBRT-UHFFFAOYSA-N 0 0 345.320 4.876 50 0 EJAARN CC(C)(C)c1ccc(C(=O)COC(=O)c2ccc3ccccc3n2)cc1 ZINC000000302291 563276025 /nfs/dbraw/zinc/27/60/25/563276025.db2.gz GTUWYZPOGJZPNZ-UHFFFAOYSA-N 0 0 347.414 4.572 50 0 EJAARN O=C(NCc1cccnc1)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000000307049 563278047 /nfs/dbraw/zinc/27/80/47/563278047.db2.gz YEEGECWQZVQRSA-UHFFFAOYSA-N 0 0 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327.383 4.952 50 0 EJAARN O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1cccs1 ZINC000000451501 563320390 /nfs/dbraw/zinc/32/03/90/563320390.db2.gz ZHALIPXZTNAKHY-UHFFFAOYSA-N 0 0 338.363 4.948 50 0 EJAARN CCCc1sc(NC(=O)c2ccco2)nc1-c1ccc(F)cc1 ZINC000000451395 563320407 /nfs/dbraw/zinc/32/04/07/563320407.db2.gz MAFTVOSATXKXKB-UHFFFAOYSA-N 0 0 330.384 4.747 50 0 EJAARN CCC(C)(C)C1CCC2(CC1)NC(=S)N(c1ccc(C)cc1)N2 ZINC000000457440 563324802 /nfs/dbraw/zinc/32/48/02/563324802.db2.gz DANNKEGZBGUVQJ-UHFFFAOYSA-N 0 0 331.529 4.517 50 0 EJAARN CC(=O)c1cccc(NC(=O)C(C)(c2ccccc2)c2ccccc2)c1 ZINC000000463242 563327435 /nfs/dbraw/zinc/32/74/35/563327435.db2.gz OVQCRNCTCCLHNK-UHFFFAOYSA-N 0 0 343.426 4.834 50 0 EJAARN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccccc1N1CCCC1 ZINC000000464065 563327851 /nfs/dbraw/zinc/32/78/51/563327851.db2.gz HDZFFDXCKQKAAE-FMIVXFBMSA-N 0 0 326.827 4.592 50 0 EJAARN O=C(CSc1ccc2ccccc2n1)Nc1ccc(F)c(Cl)c1 ZINC000000463837 563327870 /nfs/dbraw/zinc/32/78/70/563327870.db2.gz QTVFRJTWJRPERT-UHFFFAOYSA-N 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CC[C@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000004821354 563512205 /nfs/dbraw/zinc/51/22/05/563512205.db2.gz PSAPAZYEQRVNIW-KKSFZXQISA-N 0 0 337.463 4.600 50 0 EJAARN Cc1ccc(C(=O)Oc2ccc3c4c(c(=O)oc3c2C)CCCC4)cc1 ZINC000004821062 563512373 /nfs/dbraw/zinc/51/23/73/563512373.db2.gz DGXJTLFVSOAZKX-UHFFFAOYSA-N 0 0 348.398 4.508 50 0 EJAARN COc1ccc2cc(-c3nc(-c4cccs4)cs3)c(=O)oc2c1 ZINC000004857811 563513901 /nfs/dbraw/zinc/51/39/01/563513901.db2.gz GIUAANDAPYYRLP-UHFFFAOYSA-N 0 0 341.413 4.654 50 0 EJAARN CC(C)CC(=O)Nc1cccc2c(NC(=O)CC(C)C)cccc12 ZINC000004869307 563514757 /nfs/dbraw/zinc/51/47/57/563514757.db2.gz JWLFNTXRVZZUEW-UHFFFAOYSA-N 0 0 326.440 4.809 50 0 EJAARN CC(=O)O[C@@H]1C[C@@H]2CC[C@@H]3[C@@H]4CCC[C@]4(C)CC[C@@H]3[C@]2(C)CC1=O ZINC000005227740 563523252 /nfs/dbraw/zinc/52/32/52/563523252.db2.gz FASYXTMQFUGQBE-CXICGXRGSA-N 0 0 332.484 4.530 50 0 EJAARN CC[C@@H](C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1 ZINC000005399647 563531195 /nfs/dbraw/zinc/53/11/95/563531195.db2.gz 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/nfs/dbraw/zinc/66/82/64/563668264.db2.gz XKMZXLZKSJBFQP-OAHLLOKOSA-N 0 0 347.821 4.588 50 0 EJAARN CCCCC(=O)Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000032623244 563669780 /nfs/dbraw/zinc/66/97/80/563669780.db2.gz FNBAXUKBLSMSIH-UHFFFAOYSA-N 0 0 339.370 4.671 50 0 EJAARN CC(=O)c1cccc(NC(=O)c2c(C)c(C)sc2-n2cccc2)c1 ZINC000012787318 563670783 /nfs/dbraw/zinc/67/07/83/563670783.db2.gz PAMWGZKGWKWFCU-UHFFFAOYSA-N 0 0 338.432 4.611 50 0 EJAARN Cc1c(C(=O)N2CCC[C@H](C(F)(F)F)C2)sc2cccc(F)c12 ZINC000012793500 563672331 /nfs/dbraw/zinc/67/23/31/563672331.db2.gz BOOSYYQCKZYBLB-JTQLQIEISA-N 0 0 345.361 4.763 50 0 EJAARN C[C@H](NC(=O)CCCc1nc2ccccc2s1)c1ccccc1F ZINC000012797396 563673023 /nfs/dbraw/zinc/67/30/23/563673023.db2.gz KCUXCFJEZCJXAL-ZDUSSCGKSA-N 0 0 342.439 4.636 50 0 EJAARN Cc1ccccc1NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000012799990 563673388 /nfs/dbraw/zinc/67/33/88/563673388.db2.gz CRFJKHUFDRFHNE-UHFFFAOYSA-N 0 0 343.386 4.693 50 0 EJAARN O=C(CSc1nc(-c2ccco2)nc2ccccc21)c1ccccc1 ZINC000012804307 563674167 /nfs/dbraw/zinc/67/41/67/563674167.db2.gz WTTACFZPKSGHCE-UHFFFAOYSA-N 0 0 346.411 4.865 50 0 EJAARN COc1ccccc1NC(=O)c1cccc(OCc2cccs2)c1 ZINC000032643390 563674885 /nfs/dbraw/zinc/67/48/85/563674885.db2.gz GXYBQHJTZMGMJH-UHFFFAOYSA-N 0 0 339.416 4.588 50 0 EJAARN Cc1nn(C(C)(C)C)c2nc(-c3ccncc3)cc(C(F)(F)F)c12 ZINC000012843580 563675547 /nfs/dbraw/zinc/67/55/47/563675547.db2.gz BELKXHGJLXXFPH-UHFFFAOYSA-N 0 0 334.345 4.576 50 0 EJAARN CC[C@@H](O)c1nc2ccccc2n1Cc1c(Cl)cccc1Cl ZINC000004386174 563675903 /nfs/dbraw/zinc/67/59/03/563675903.db2.gz IEIQOLXJXCSCEL-MRXNPFEDSA-N 0 0 335.234 4.835 50 0 EJAARN C[C@H](O)c1nc2ccccc2n1CCCOc1cccc2ccccc21 ZINC000004385602 563676379 /nfs/dbraw/zinc/67/63/79/563676379.db2.gz MSOCFSWYWMAJSM-INIZCTEOSA-N 0 0 346.430 4.712 50 0 EJAARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(-c3nccs3)cc2)cc1 ZINC000012977352 563680489 /nfs/dbraw/zinc/68/04/89/563680489.db2.gz JXURMYSKMUNPFV-AWEZNQCLSA-N 0 0 338.432 4.525 50 0 EJAARN CCc1cccc(C)c1NC(=O)c1csc(-c2ccsc2)n1 ZINC000012979437 563680975 /nfs/dbraw/zinc/68/09/75/563680975.db2.gz HXBQNSVQIJHBLO-UHFFFAOYSA-N 0 0 328.462 4.995 50 0 EJAARN O=C(Nc1ccccc1F)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000012993030 563682702 /nfs/dbraw/zinc/68/27/02/563682702.db2.gz VFDBLGOBJYOHKC-CYBMUJFWSA-N 0 0 336.819 4.838 50 0 EJAARN COc1ccc(C(=O)Nc2ccc(OC)c(Cc3ccccc3)c2)cc1 ZINC000012998356 563684137 /nfs/dbraw/zinc/68/41/37/563684137.db2.gz IZIHPBDFGJMPKS-UHFFFAOYSA-N 0 0 347.414 4.547 50 0 EJAARN O=C(Nc1ccc(F)cc1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000012998292 563684174 /nfs/dbraw/zinc/68/41/74/563684174.db2.gz NCBRZMLHYVKUEP-QGZVFWFLSA-N 0 0 344.386 4.937 50 0 EJAARN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NC(C)(C)C)cc12 ZINC000013014194 563685345 /nfs/dbraw/zinc/68/53/45/563685345.db2.gz MXWFLNWTSQUREU-UHFFFAOYSA-N 0 0 347.871 4.577 50 0 EJAARN CSc1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccc(Cl)cc1 ZINC000013095325 563687710 /nfs/dbraw/zinc/68/77/10/563687710.db2.gz JLIBJAWSGDUEFV-CYBMUJFWSA-N 0 0 348.899 4.521 50 0 EJAARN Oc1ccc(-c2cc(-c3ccc(O)cc3)nc(-c3ccccc3)n2)cc1 ZINC000013130514 563689878 /nfs/dbraw/zinc/68/98/78/563689878.db2.gz VXJWCJHMLDRQIN-UHFFFAOYSA-N 0 0 340.382 4.889 50 0 EJAARN Cc1cccc(C(=O)Oc2c(C)cc(Br)cc2Cl)c1 ZINC000013137645 563690862 /nfs/dbraw/zinc/69/08/62/563690862.db2.gz MKSWSVPFVRXHSC-UHFFFAOYSA-N 0 0 339.616 4.939 50 0 EJAARN C[C@H](Nc1nc(Nc2ccc(F)cc2)[nH]c(=S)n1)c1ccccc1 ZINC000013154160 563691301 /nfs/dbraw/zinc/69/13/01/563691301.db2.gz IHDYLPVKPZSYMR-NSHDSACASA-N 0 0 341.415 4.590 50 0 EJAARN CCc1ccc([C@H](C)NC(=O)c2c(C)onc2-c2ccccc2)cc1 ZINC000013327784 563695673 /nfs/dbraw/zinc/69/56/73/563695673.db2.gz VKIIBSNUJYEVKI-AWEZNQCLSA-N 0 0 334.419 4.703 50 0 EJAARN C[C@H]1CCc2nc(NC(=O)c3cccc(Cl)c3Cl)sc2C1 ZINC000013328022 563695935 /nfs/dbraw/zinc/69/59/35/563695935.db2.gz YHXGJFQYYXUXRW-QMMMGPOBSA-N 0 0 341.263 4.827 50 0 EJAARN Cc1onc(-c2ccccc2)c1C(=O)N[C@H](C)c1ccc(C)cc1C ZINC000013328703 563695996 /nfs/dbraw/zinc/69/59/96/563695996.db2.gz SEMWGJCWLSCFHT-OAHLLOKOSA-N 0 0 334.419 4.758 50 0 EJAARN COc1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)c(C)c1 ZINC000013496768 563699719 /nfs/dbraw/zinc/69/97/19/563699719.db2.gz XULKATVQDVQTJO-UHFFFAOYSA-N 0 0 340.370 4.831 50 0 EJAARN Cc1nn(-c2cc(C)cc(C)c2)c2c1[C@H](c1cccs1)CC(=O)N2 ZINC000013552847 563701426 /nfs/dbraw/zinc/70/14/26/563701426.db2.gz DFRSJUPSHGBAEK-HNNXBMFYSA-N 0 0 337.448 4.983 50 0 EJAARN Cn1cc(CN2CCc3c4ccccc4[nH]c3[C@@H]2C2CCCCC2)cn1 ZINC000013595708 563703176 /nfs/dbraw/zinc/70/31/76/563703176.db2.gz JSHNIHPGRAFNFK-QFIPXVFZSA-N 0 0 348.494 4.581 50 0 EJAARN CC(C)(C)c1nc2cc(NC(=O)c3cc4ccccc4o3)ccc2[nH]1 ZINC000032721220 563703264 /nfs/dbraw/zinc/70/32/64/563703264.db2.gz XABMJIZTDWJJRW-UHFFFAOYSA-N 0 0 333.391 4.859 50 0 EJAARN CCOc1c(Cl)cc(Cl)cc1CNCc1ccccc1OC ZINC000013720614 563716390 /nfs/dbraw/zinc/71/63/90/563716390.db2.gz NXFGFACJRRWIJB-UHFFFAOYSA-N 0 0 340.250 4.691 50 0 EJAARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1cccc(C)n1 ZINC000013724179 563717675 /nfs/dbraw/zinc/71/76/75/563717675.db2.gz XDSDGCFXPBPLKH-UHFFFAOYSA-N 0 0 343.839 4.728 50 0 EJAARN O=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1ccco1)C1CC1 ZINC000013726602 563718697 /nfs/dbraw/zinc/71/86/97/563718697.db2.gz MJSQCZVWCTZBOA-UHFFFAOYSA-N 0 0 325.195 4.783 50 0 EJAARN O[C@H](COc1cccc2ccccc21)CSc1ccc(F)c(F)c1 ZINC000032751131 563724494 /nfs/dbraw/zinc/72/44/94/563724494.db2.gz WPVQEASUAMKUSX-CQSZACIVSA-N 0 0 346.398 4.650 50 0 EJAARN CC(C)[C@H](NC(=O)c1ccc(Br)s1)c1ccccc1 ZINC000032744935 563724956 /nfs/dbraw/zinc/72/49/56/563724956.db2.gz ATDGLKCHWOHLTK-AWEZNQCLSA-N 0 0 338.270 4.638 50 0 EJAARN c1csc(CN(Cc2nc3ccccc3s2)C[C@@H]2CCCO2)c1 ZINC000032759751 563726459 /nfs/dbraw/zinc/72/64/59/563726459.db2.gz GHDFSZQMXCAKJZ-AWEZNQCLSA-N 0 0 344.505 4.539 50 0 EJAARN C[C@H](c1cc2ccccc2o1)N(C)C(=O)[C@@]1(C)CC1(Cl)Cl ZINC000032754301 563727643 /nfs/dbraw/zinc/72/76/43/563727643.db2.gz OSFITVDRVXRQIQ-MEBBXXQBSA-N 0 0 326.223 4.536 50 0 EJAARN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)[C@]1(C)CC1(Cl)Cl ZINC000032754304 563727646 /nfs/dbraw/zinc/72/76/46/563727646.db2.gz OSFITVDRVXRQIQ-BONVTDFDSA-N 0 0 326.223 4.536 50 0 EJAARN Cc1nc(-c2c[nH]c(C(=O)Oc3ccc(Cl)cc3C)c2)cs1 ZINC000032767364 563729587 /nfs/dbraw/zinc/72/95/87/563729587.db2.gz BUSMAEFXVKNXIG-UHFFFAOYSA-N 0 0 332.812 4.628 50 0 EJAARN CCOc1ccc(NC(=S)N[C@@H](C)c2cc(C)ccc2C)cc1 ZINC000013931260 563730609 /nfs/dbraw/zinc/73/06/09/563730609.db2.gz KEWZZRYBIXESEV-HNNXBMFYSA-N 0 0 328.481 4.750 50 0 EJAARN Cc1ccc(SCCC(=O)Nc2nc3c(cccc3F)s2)cc1 ZINC000004496552 563734472 /nfs/dbraw/zinc/73/44/72/563734472.db2.gz AENBHPKRDVUTRY-UHFFFAOYSA-N 0 0 346.452 4.865 50 0 EJAARN O=C(N[C@@H]1CCSc2ccccc21)c1ccccc1C(F)(F)F ZINC000014022345 563736597 /nfs/dbraw/zinc/73/65/97/563736597.db2.gz PHXVHWZFCMGBAX-CQSZACIVSA-N 0 0 337.366 4.672 50 0 EJAARN O=C(Nc1ccc(Cl)cc1)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000014042264 563737277 /nfs/dbraw/zinc/73/72/77/563737277.db2.gz OJZBSPQFJNWIIM-QGZVFWFLSA-N 0 0 346.814 4.542 50 0 EJAARN Clc1ccc(-c2nc(CSc3nncs3)cs2)cc1 ZINC000014093494 563739317 /nfs/dbraw/zinc/73/93/17/563739317.db2.gz IGKMTTOUDVJXKF-UHFFFAOYSA-N 0 0 325.871 4.607 50 0 EJAARN Cc1ccoc1C(=O)Nc1nc(-c2c(C)[nH]c3ccccc32)cs1 ZINC000014095267 563740124 /nfs/dbraw/zinc/74/01/24/563740124.db2.gz QSGOWVWNXGRKDK-UHFFFAOYSA-N 0 0 337.404 4.754 50 0 EJAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccc2cccnc21 ZINC000014136691 563743985 /nfs/dbraw/zinc/74/39/85/563743985.db2.gz JYTQCXYMBHMKSF-UHFFFAOYSA-N 0 0 345.427 4.919 50 0 EJAARN CCOc1ccc([C@@H]2CCCN2C(=O)c2cc3ccccc3[nH]2)cc1 ZINC000014167799 563746604 /nfs/dbraw/zinc/74/66/04/563746604.db2.gz UWXLMWBMDFYWFK-FQEVSTJZSA-N 0 0 334.419 4.544 50 0 EJAARN COc1ccc2cc([C@@H](C)C(=O)N[C@H](C)c3ccccc3)ccc2c1 ZINC000014171742 563747090 /nfs/dbraw/zinc/74/70/90/563747090.db2.gz KAGMPABCTWFXKG-HZPDHXFCSA-N 0 0 333.431 4.829 50 0 EJAARN Cc1ccsc1/C=C/c1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000004512756 563747132 /nfs/dbraw/zinc/74/71/32/563747132.db2.gz MXODNZGTNVHTST-VAWYXSNFSA-N 0 0 344.439 4.926 50 0 EJAARN Cn1nc(C(C)(C)C)cc1NC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000014189871 563748847 /nfs/dbraw/zinc/74/88/47/563748847.db2.gz CELGPVYDFGNIMN-UHFFFAOYSA-N 0 0 347.462 4.566 50 0 EJAARN C[C@@H]1Oc2ccc(NC3c4ccccc4-c4ccccc43)cc2NC1=O ZINC000032814865 563753441 /nfs/dbraw/zinc/75/34/41/563753441.db2.gz UGMCASZPSIZLEF-ZDUSSCGKSA-N 0 0 342.398 4.588 50 0 EJAARN O=C1CCCN1c1cccc(NC2c3ccccc3-c3ccccc32)c1 ZINC000032814862 563753584 /nfs/dbraw/zinc/75/35/84/563753584.db2.gz AOLLOUJYVTXGAM-UHFFFAOYSA-N 0 0 340.426 4.995 50 0 EJAARN CC[C@H](C)c1ccccc1NC(=O)CN1CCc2sccc2[C@@H]1C ZINC000014247203 563755066 /nfs/dbraw/zinc/75/50/66/563755066.db2.gz QJBOLBSXTIZPLP-GJZGRUSLSA-N 0 0 342.508 4.819 50 0 EJAARN Cc1sc2c(c1C)C(=O)N[C@H](c1ccc(-c3ccc(F)cc3)o1)N2 ZINC000004523666 563758139 /nfs/dbraw/zinc/75/81/39/563758139.db2.gz UAVYUPNXRYHKLR-INIZCTEOSA-N 0 0 342.395 4.618 50 0 EJAARN CN(Cc1cc(-c2ccco2)on1)Cc1ccc(Cl)c(Cl)c1 ZINC000032836148 563759683 /nfs/dbraw/zinc/75/96/83/563759683.db2.gz AUMOKVFDOUNJCY-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/78/72/99/563787299.db2.gz HNWDRPSTVKPNFG-NRFANRHFSA-N 0 0 335.447 4.551 50 0 EJAARN Cc1ccc(CN(C(=O)c2oc3ccccc3c2C)c2ccccn2)o1 ZINC000015669865 563790285 /nfs/dbraw/zinc/79/02/85/563790285.db2.gz YIBICKVHUVQNBV-UHFFFAOYSA-N 0 0 346.386 4.885 50 0 EJAARN O=C(c1cc2ccccc2[nH]1)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000032903974 563791368 /nfs/dbraw/zinc/79/13/68/563791368.db2.gz ZMXRAEBBEZWPHZ-UHFFFAOYSA-N 0 0 342.801 4.765 50 0 EJAARN CCOc1ccc(NC(=O)C2=Cc3cc(Cl)ccc3OC=C2)cc1 ZINC000015838539 563794390 /nfs/dbraw/zinc/79/43/90/563794390.db2.gz MBGIHNSVKNAYNA-UHFFFAOYSA-N 0 0 341.794 4.667 50 0 EJAARN Cc1ccc([C@@H](NC(=O)c2ccccc2Cl)c2cccnc2)cc1 ZINC000015839688 563794875 /nfs/dbraw/zinc/79/48/75/563794875.db2.gz RDMHJOBVKJDOEK-LJQANCHMSA-N 0 0 336.822 4.563 50 0 EJAARN Cc1ccc(C(=O)N[C@@H](c2cccnc2)c2ccc(C)c(C)c2)cc1 ZINC000015839748 563795131 /nfs/dbraw/zinc/79/51/31/563795131.db2.gz KEDMVXQZYVXQRY-OAQYLSRUSA-N 0 0 330.431 4.526 50 0 EJAARN CCOc1ccc(NC(=O)c2ccc(Cl)cc2)c2cccnc12 ZINC000015840739 563795760 /nfs/dbraw/zinc/79/57/60/563795760.db2.gz KRFYOMNPXCSCAQ-UHFFFAOYSA-N 0 0 326.783 4.539 50 0 EJAARN COc1cccc(CNC(=O)N2CCCCC[C@@H]2c2cccs2)c1 ZINC000015867129 563798608 /nfs/dbraw/zinc/79/86/08/563798608.db2.gz SGNIWQJAHYJMHY-QGZVFWFLSA-N 0 0 344.480 4.584 50 0 EJAARN O=C(Nc1ccc2c(c1)OCO2)N1CCCCC[C@H]1c1cccs1 ZINC000015867138 563798945 /nfs/dbraw/zinc/79/89/45/563798945.db2.gz ALVKTGUPMWFKNT-AWEZNQCLSA-N 0 0 344.436 4.626 50 0 EJAARN CN(C)c1cccc(C(=O)Nc2ccccc2Oc2ccccc2)c1 ZINC000015963726 563801222 /nfs/dbraw/zinc/80/12/22/563801222.db2.gz TWMXTUVIPILGTR-UHFFFAOYSA-N 0 0 332.403 4.797 50 0 EJAARN O=S(=O)(/C=C/c1ccccc1)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000016097182 563803573 /nfs/dbraw/zinc/80/35/73/563803573.db2.gz YXVHGKNNLWBECL-OUKQBFOZSA-N 0 0 347.439 4.670 50 0 EJAARN COc1ccccc1NC(=S)N[C@H](C)c1ccc2ccccc2c1 ZINC000016240626 563806267 /nfs/dbraw/zinc/80/62/67/563806267.db2.gz GWSXSIKJCHVIJH-CQSZACIVSA-N 0 0 336.460 4.896 50 0 EJAARN CCCCSc1nnc(-c2ccncc2)n1-c1ccc(CC)cc1 ZINC000016275983 563807537 /nfs/dbraw/zinc/80/75/37/563807537.db2.gz FFDFEDLNUWRCDL-UHFFFAOYSA-N 0 0 338.480 4.784 50 0 EJAARN Cc1ccc(C(F)(F)F)cc1NCc1csc([C@@H]2CCCO2)n1 ZINC000134868392 563808872 /nfs/dbraw/zinc/80/88/72/563808872.db2.gz YDBWGPULRUCDNT-AWEZNQCLSA-N 0 0 342.386 4.934 50 0 EJAARN CCCC1CCC(C2=N/C(=C\c3ccccc3OCC)C(=O)O2)CC1 ZINC000004588517 563809798 /nfs/dbraw/zinc/80/97/98/563809798.db2.gz GWVPQAPOFVCJIB-JXAWBTAJSA-N 0 0 341.451 4.988 50 0 EJAARN O=C(COC(=O)c1occc1-c1ccccc1)c1cc2ccccc2o1 ZINC000016537393 563814467 /nfs/dbraw/zinc/81/44/67/563814467.db2.gz BOVZKTMOUBKGDG-UHFFFAOYSA-N 0 0 346.338 4.733 50 0 EJAARN Fc1cc(Br)ccc1OCc1nc2ccccc2s1 ZINC000016655154 563819387 /nfs/dbraw/zinc/81/93/87/563819387.db2.gz OAWQIRYLCMHJIB-UHFFFAOYSA-N 0 0 338.201 4.777 50 0 EJAARN O=c1c(C2=[NH+]CCCCC2)c(Nc2ccccc2)[n-]n1-c1ccccc1 ZINC000016740150 563821827 /nfs/dbraw/zinc/82/18/27/563821827.db2.gz PWZUHGIBRSGKMM-UHFFFAOYSA-N 0 0 346.434 4.685 50 0 EJAARN C/C=C/c1ccc(OCc2nc3cc(Cl)ccc3[nH]2)c(OC)c1 ZINC000016903958 563825569 /nfs/dbraw/zinc/82/55/69/563825569.db2.gz ZAJMGEYZGMRZCN-ONEGZZNKSA-N 0 0 328.799 4.837 50 0 biogenic EJAARN Cc1c(Cl)cccc1NC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000016956874 563827236 /nfs/dbraw/zinc/82/72/36/563827236.db2.gz INZRHQMESLKTEV-HNNXBMFYSA-N 0 0 346.839 4.740 50 0 in-vitro EJAARN CCCCn1nc(NC(=O)C(C)(C)C)c2cc3cc(C)ccc3nc21 ZINC000017016833 563828881 /nfs/dbraw/zinc/82/88/81/563828881.db2.gz JLIKCODZTMIZPP-UHFFFAOYSA-N 0 0 338.455 4.678 50 0 EJAARN Cc1ccc(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)cc1 ZINC000017042526 563829713 /nfs/dbraw/zinc/82/97/13/563829713.db2.gz ZSHFZNRNQKPGIL-UHFFFAOYSA-N 0 0 335.798 4.521 50 0 EJAARN C[C@H](Sc1ccc(N)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000017071356 563834235 /nfs/dbraw/zinc/83/42/35/563834235.db2.gz JSROSNJVDYDFER-VIFPVBQESA-N 0 0 341.263 4.695 50 0 EJAARN COc1ccc(C)cc1NC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000017071214 563834238 /nfs/dbraw/zinc/83/42/38/563834238.db2.gz OKFSIGSBWDQUPX-UHFFFAOYSA-N 0 0 340.370 4.831 50 0 EJAARN Cc1cc(C)cc(N2C(=S)N=NC2CSCc2ccccc2)c1 ZINC000017071476 563834612 /nfs/dbraw/zinc/83/46/12/563834612.db2.gz JSZDPTHOZMHWEH-UHFFFAOYSA-N 0 0 341.505 4.606 50 0 EJAARN Cc1ccc(-n2ncc3c2ncnc3NC2CCCCCC2)cc1C ZINC000017120382 563837191 /nfs/dbraw/zinc/83/71/91/563837191.db2.gz BBLPCVNPRPJVSI-UHFFFAOYSA-N 0 0 335.455 4.567 50 0 EJAARN CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(CC)C2=O)cc1Cl ZINC000017299841 563842288 /nfs/dbraw/zinc/84/22/88/563842288.db2.gz ZSLJVQNWQXUPIK-AHEVQNHNSA-N 0 0 339.844 4.574 50 0 EJAARN C[C@@H](NC(=O)c1ccc(F)cc1Cl)c1cccc(OC(F)F)c1 ZINC000032931087 563842362 /nfs/dbraw/zinc/84/23/62/563842362.db2.gz XZXKVRUQZQKYAI-SECBINFHSA-N 0 0 343.732 4.572 50 0 EJAARN Cc1ccoc1C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000010697162 563860016 /nfs/dbraw/zinc/86/00/16/563860016.db2.gz FWDXGGKFYRYPKB-SFHVURJKSA-N 0 0 344.414 4.631 50 0 EJAARN O=C(Nc1ccccc1Cc1ccccc1)N1CCc2ccccc2C1 ZINC000043339660 563864013 /nfs/dbraw/zinc/86/40/13/563864013.db2.gz UZMDLDGSIGUNKM-UHFFFAOYSA-N 0 0 342.442 4.868 50 0 EJAARN Cc1ccc(C)c(C(=O)c2sc(Nc3ccccc3C)nc2N)c1 ZINC000032947430 563864127 /nfs/dbraw/zinc/86/41/27/563864127.db2.gz PCVJAMFFWJBZNR-UHFFFAOYSA-N 0 0 337.448 4.625 50 0 EJAARN Cc1cccc(Nc2nc(N)c(C(=O)c3cc(C)ccc3C)s2)c1 ZINC000032947595 563864371 /nfs/dbraw/zinc/86/43/71/563864371.db2.gz WRAWVZOPRUEGGM-UHFFFAOYSA-N 0 0 337.448 4.625 50 0 EJAARN C[C@@H](c1nc2ccccc2n1C(F)F)N1CCCc2ccccc21 ZINC000023016434 563865552 /nfs/dbraw/zinc/86/55/52/563865552.db2.gz YSXAKLKOBCZSHX-ZDUSSCGKSA-N 0 0 327.378 4.945 50 0 EJAARN Cc1cccc(-n2ccnc2S[C@H](C)c2nc(C(C)(C)C)no2)c1 ZINC000024046739 563868727 /nfs/dbraw/zinc/86/87/27/563868727.db2.gz YTPNNIITLGQOFR-CYBMUJFWSA-N 0 0 342.468 4.715 50 0 EJAARN CSc1ccc(/C=C/c2nc3n(n2)C=COc2ccccc2-3)cc1 ZINC000024549645 563872527 /nfs/dbraw/zinc/87/25/27/563872527.db2.gz GUWXHANAHKLCSD-DHZHZOJOSA-N 0 0 333.416 4.658 50 0 EJAARN O=C(N[C@H](c1cc2ccccc2o1)c1ccccc1)[C@H]1CC=CCC1 ZINC000024709010 563874480 /nfs/dbraw/zinc/87/44/80/563874480.db2.gz WNVKKJFOTZADNL-UWJYYQICSA-N 0 0 331.415 4.995 50 0 EJAARN CCN(C(=O)c1sc(-c2ccc(C)o2)nc1C)c1ccccc1 ZINC000024864391 563876952 /nfs/dbraw/zinc/87/69/52/563876952.db2.gz YWTJUNXQWVFEDQ-UHFFFAOYSA-N 0 0 326.421 4.687 50 0 EJAARN O=C(CCOc1ccccc1-c1ccccc1)NCc1ccccc1F ZINC000024845782 563876977 /nfs/dbraw/zinc/87/69/77/563876977.db2.gz YTBMABJLTPXXJF-UHFFFAOYSA-N 0 0 349.405 4.578 50 0 EJAARN COc1ccc([C@@H]2CCCN2Cc2coc(-c3ccc(C)cc3)n2)cc1 ZINC000024961615 563878230 /nfs/dbraw/zinc/87/82/30/563878230.db2.gz LALOHAOOBCASSG-NRFANRHFSA-N 0 0 348.446 4.996 50 0 EJAARN CC[C@H](C)c1ccc(N[C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000024986473 563879119 /nfs/dbraw/zinc/87/91/19/563879119.db2.gz VBHCVSAQYJIXIG-QWHCGFSZSA-N 0 0 331.847 4.688 50 0 EJAARN C[C@H](CC(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1)c1ccccc1 ZINC000025065973 563880799 /nfs/dbraw/zinc/88/07/99/563880799.db2.gz CMDQRCZXUJZUMU-OAHLLOKOSA-N 0 0 338.451 4.804 50 0 EJAARN CCc1ccccc1NC(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000025092392 563880989 /nfs/dbraw/zinc/88/09/89/563880989.db2.gz SKYXIBPPKINSGJ-UHFFFAOYSA-N 0 0 325.799 4.545 50 0 EJAARN C=C(c1ccccc1OCc1cc(-c2ccccc2)on1)n1ccnc1 ZINC000025253365 563882518 /nfs/dbraw/zinc/88/25/18/563882518.db2.gz HXIXTEXTPRFDLI-UHFFFAOYSA-N 0 0 343.386 4.636 50 0 EJAARN Cc1c2ccccc2oc1C(=O)N[C@@H](C)c1ccccc1OC(F)F ZINC000025295777 563883012 /nfs/dbraw/zinc/88/30/12/563883012.db2.gz WOKMTPXKCCHVQR-LBPRGKRZSA-N 0 0 345.345 4.834 50 0 EJAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cccc2ncccc21 ZINC000025438521 563884575 /nfs/dbraw/zinc/88/45/75/563884575.db2.gz RNZPLCOHNLUTST-UHFFFAOYSA-N 0 0 344.336 4.526 50 0 EJAARN COc1ccc2[nH]c(SCc3csc(-c4ccco4)n3)nc2c1 ZINC000025434166 563884609 /nfs/dbraw/zinc/88/46/09/563884609.db2.gz KIDNWVSERKQYCL-UHFFFAOYSA-N 0 0 343.433 4.580 50 0 EJAARN COc1ccc(/C=C/C(=O)Nc2ccccc2C(F)(F)F)cc1C ZINC000025539479 563885835 /nfs/dbraw/zinc/88/58/35/563885835.db2.gz NWQJEENVBXHYJH-CSKARUKUSA-N 0 0 335.325 4.674 50 0 EJAARN COc1ccc([C@@H]2N=C(c3ccccc3)[C@H]3[C@@H](c4ccccc4)N32)cc1 ZINC000025586551 563886391 /nfs/dbraw/zinc/88/63/91/563886391.db2.gz NUTTVNZGHVOMQV-GMJSYXRRSA-N 0 0 340.426 4.622 50 0 EJAARN Clc1ccccc1-c1noc(CSc2ncccc2Cl)n1 ZINC000025593325 563886427 /nfs/dbraw/zinc/88/64/27/563886427.db2.gz NKHIPXKMSSBUKR-UHFFFAOYSA-N 0 0 338.219 4.731 50 0 EJAARN Cc1c(Cl)cccc1C1=NNc2cc(Cl)c(Cl)cc2N1O ZINC000025759771 563888082 /nfs/dbraw/zinc/88/80/82/563888082.db2.gz JWWFQBLTIJAPKX-UHFFFAOYSA-N 0 0 342.613 4.938 50 0 EJAARN O=C(Nc1ccc(-c2cnc(C3CC3)o2)cc1)c1ccc(F)cc1F ZINC000025929618 563889254 /nfs/dbraw/zinc/88/92/54/563889254.db2.gz SOOPXBFAKVKNID-UHFFFAOYSA-N 0 0 340.329 4.750 50 0 EJAARN Brc1ccccc1CSc1ncnc2ccsc21 ZINC000026958509 563894048 /nfs/dbraw/zinc/89/40/48/563894048.db2.gz VBAJTPYFZFPZAY-UHFFFAOYSA-N 0 0 337.267 4.746 50 0 EJAARN COc1ccccc1C(=O)N(Cc1cccs1)c1ccc(F)cc1 ZINC000027580277 563896848 /nfs/dbraw/zinc/89/68/48/563896848.db2.gz XXZYOIUEJBBYLG-UHFFFAOYSA-N 0 0 341.407 4.743 50 0 EJAARN Cc1ccc(-c2cc(C(=O)Nc3nc4ccc(C)cc4s3)no2)cc1 ZINC000027662603 563898345 /nfs/dbraw/zinc/89/83/45/563898345.db2.gz GEAAJHCBHNNQHA-UHFFFAOYSA-N 0 0 349.415 4.820 50 0 EJAARN COc1cccc(N(Cc2cccs2)C(=O)c2ccccc2F)c1 ZINC000027749100 563899319 /nfs/dbraw/zinc/89/93/19/563899319.db2.gz LACFYLRUIANQSH-UHFFFAOYSA-N 0 0 341.407 4.743 50 0 EJAARN CCOc1ccc(-c2cc(C(=O)Nc3c(C)cccc3C)no2)cc1 ZINC000027744720 563899349 /nfs/dbraw/zinc/89/93/49/563899349.db2.gz VPUCECGHVVFBSC-UHFFFAOYSA-N 0 0 336.391 4.609 50 0 EJAARN Cc1csc(NC(=O)c2ccc(CSc3ccccc3)o2)n1 ZINC000028193709 563901514 /nfs/dbraw/zinc/90/15/14/563901514.db2.gz KGPRJSKBFXIFGG-UHFFFAOYSA-N 0 0 330.434 4.589 50 0 EJAARN Cc1c2cc(Cl)ccc2oc1C(=O)N1CCOC12CCCCC2 ZINC000028292564 563902258 /nfs/dbraw/zinc/90/22/58/563902258.db2.gz DQNZWBNMJUDHLK-UHFFFAOYSA-N 0 0 333.815 4.527 50 0 EJAARN CC[C@@H](NC(=O)c1ccccc1OC(F)F)c1ccc(Cl)cc1 ZINC000028617142 563903494 /nfs/dbraw/zinc/90/34/94/563903494.db2.gz IDJCYMBZBDEGJN-CQSZACIVSA-N 0 0 339.769 4.823 50 0 EJAARN FC(F)(F)c1nc2ccccc2n1Cc1cc(-c2cccs2)on1 ZINC000029301657 563905655 /nfs/dbraw/zinc/90/56/55/563905655.db2.gz LDVDDKHGNJAUAE-UHFFFAOYSA-N 0 0 349.337 4.820 50 0 EJAARN CS[C@@H](C)c1cccc(NC(=O)N[C@@H](C)c2c(C)noc2C)c1 ZINC000072283393 563905977 /nfs/dbraw/zinc/90/59/77/563905977.db2.gz OBTXRHLOSAHQOR-GWCFXTLKSA-N 0 0 333.457 4.598 50 0 EJAARN CS[C@@H](C)c1cccc(NC(=O)N[C@H](C)c2c(C)noc2C)c1 ZINC000072283392 563905984 /nfs/dbraw/zinc/90/59/84/563905984.db2.gz OBTXRHLOSAHQOR-MFKMUULPSA-N 0 0 333.457 4.598 50 0 EJAARN CCOc1ccc(OCC)c(NC(=O)c2cc3c(s2)CCCC3)c1 ZINC000029482959 563906588 /nfs/dbraw/zinc/90/65/88/563906588.db2.gz KKXPRCHKRJGUJS-UHFFFAOYSA-N 0 0 345.464 4.677 50 0 EJAARN O=C(Nc1cccnc1)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000029519285 563906996 /nfs/dbraw/zinc/90/69/96/563906996.db2.gz BYBVTHDJRBQPDT-UHFFFAOYSA-N 0 0 334.341 4.551 50 0 EJAARN Cc1ccc(C(=O)N(c2cccnc2)C(C)C)cc1Oc1ccncc1 ZINC000072285401 563907104 /nfs/dbraw/zinc/90/71/04/563907104.db2.gz ACLYRNHWIOQUCV-UHFFFAOYSA-N 0 0 347.418 4.633 50 0 EJAARN CCN(C(=O)Nc1cccc(N(C)C(C)C)c1)[C@@H](C)c1cccnc1 ZINC000072286345 563907400 /nfs/dbraw/zinc/90/74/00/563907400.db2.gz RQSCJTJYSOPHSN-INIZCTEOSA-N 0 0 340.471 4.541 50 0 EJAARN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCCC[C@@H]2c2nccs2)o1 ZINC000072285983 563907470 /nfs/dbraw/zinc/90/74/70/563907470.db2.gz DWVHNQYVENTWOU-VNQPRFMTSA-N 0 0 344.480 4.546 50 0 EJAARN Cc1nc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)no1 ZINC000030025687 563909364 /nfs/dbraw/zinc/90/93/64/563909364.db2.gz OALXFMKEPSJIJM-UHFFFAOYSA-N 0 0 349.415 4.992 50 0 EJAARN FC(F)(F)c1nc2ccccc2c(NCc2ccc(Cl)cc2)n1 ZINC000032544598 563913914 /nfs/dbraw/zinc/91/39/14/563913914.db2.gz FSIJVNHHOYJSDV-UHFFFAOYSA-N 0 0 337.732 4.914 50 0 EJAARN O=C(c1cc(-c2ccc(Cl)cc2)on1)N1CCC[C@@H]1c1ccco1 ZINC000033012302 563914768 /nfs/dbraw/zinc/91/47/68/563914768.db2.gz MHVFSOGNGZWGJO-OAHLLOKOSA-N 0 0 342.782 4.565 50 0 EJAARN Cc1ccc2[nH]c(CCc3ccc(NC(=O)CC(C)C)cc3)nc2c1 ZINC000032960958 563916769 /nfs/dbraw/zinc/91/67/69/563916769.db2.gz LRSCUPOQSUSQHZ-UHFFFAOYSA-N 0 0 335.451 4.641 50 0 EJAARN Cc1cc(C(=O)N[C@H](C)CCc2ccccc2)c2cccc(C)c2n1 ZINC000032961543 563916798 /nfs/dbraw/zinc/91/67/98/563916798.db2.gz QCSGUPVPVUFACN-MRXNPFEDSA-N 0 0 332.447 4.603 50 0 EJAARN CC(C)C[C@@H](C)OC(=O)c1ccccc1C(=O)O[C@@H](C)CC(C)C ZINC000034303729 563916806 /nfs/dbraw/zinc/91/68/06/563916806.db2.gz UAFXUVUVOTXFND-IYBDPMFKSA-N 0 0 334.456 4.869 50 0 EJAARN Brc1ccc(Nc2nc(-c3cccnc3)cs2)cc1 ZINC000000190278 563917054 /nfs/dbraw/zinc/91/70/54/563917054.db2.gz XGPZJFFBCSRGTI-UHFFFAOYSA-N 0 0 332.226 4.711 50 0 EJAARN O=C(Nc1ccc(Cl)cc1)N1C[C@H](c2ccc(Cl)cc2)CC1=O ZINC000000435549 563917458 /nfs/dbraw/zinc/91/74/58/563917458.db2.gz IOZXNQQOZUNCNP-GFCCVEGCSA-N 0 0 349.217 4.541 50 0 EJAARN C[C@H]1Cc2ccccc2N1C(=O)CCCc1nc2ccccc2s1 ZINC000032975292 563920420 /nfs/dbraw/zinc/92/04/20/563920420.db2.gz OKBCMTRXLHKDOX-AWEZNQCLSA-N 0 0 336.460 4.597 50 0 EJAARN C[C@@H]1Cc2ccccc2N1C(=O)CCCc1nc2ccccc2s1 ZINC000032975290 563920440 /nfs/dbraw/zinc/92/04/40/563920440.db2.gz OKBCMTRXLHKDOX-CQSZACIVSA-N 0 0 336.460 4.597 50 0 EJAARN Cc1c(NC(=O)C2CCCCC2)cccc1-c1nc2ncccc2o1 ZINC000041107628 563924339 /nfs/dbraw/zinc/92/43/39/563924339.db2.gz DNBLBHFWTYYPRS-UHFFFAOYSA-N 0 0 335.407 4.717 50 0 EJAARN COc1ccc2cc([C@@H](C)C(=O)Nc3ccc(F)cc3F)ccc2c1 ZINC000047340138 563929779 /nfs/dbraw/zinc/92/97/79/563929779.db2.gz QDHZNRSDWWFXAS-GFCCVEGCSA-N 0 0 341.357 4.869 50 0 EJAARN COCCN(C(=S)Nc1cc(C)cc(C)c1)[C@@H](C)c1cccs1 ZINC000013544660 563929973 /nfs/dbraw/zinc/92/99/73/563929973.db2.gz FQSPQAWBOHYIGX-HNNXBMFYSA-N 0 0 348.537 4.771 50 0 EJAARN CCc1cccc(C)c1NC(=S)N1CCCC[C@@H]1c1cccnc1 ZINC000013635167 563930981 /nfs/dbraw/zinc/93/09/81/563930981.db2.gz DLAVOLMRESVKFN-GOSISDBHSA-N 0 0 339.508 4.876 50 0 biogenic EJAARN Cc1ccc(-c2ccc(CCC(=O)NCc3ccccc3)o2)cc1C ZINC000033027733 563931357 /nfs/dbraw/zinc/93/13/57/563931357.db2.gz VAFNJASBPHJGNJ-UHFFFAOYSA-N 0 0 333.431 4.812 50 0 EJAARN Cc1ccc(-c2ccc(CCC(=O)NC3CCCCC3)o2)cc1C ZINC000033027737 563931471 /nfs/dbraw/zinc/93/14/71/563931471.db2.gz FEDPTPPRXOYEPK-UHFFFAOYSA-N 0 0 325.452 4.945 50 0 EJAARN Cc1nc(C(C)(C)C)sc1C(=O)NCC(C)(C)c1ccccc1F ZINC000060338136 563931481 /nfs/dbraw/zinc/93/14/81/563931481.db2.gz OEPZPQVHMDSSOU-UHFFFAOYSA-N 0 0 348.487 4.596 50 0 EJAARN C[C@@H]1CCC[C@@H](NC(=O)c2cccc(OCc3ccccc3)c2)[C@@H]1C ZINC000033028636 563931603 /nfs/dbraw/zinc/93/16/03/563931603.db2.gz DJXJETVHGPUZGE-CBGDNZLLSA-N 0 0 337.463 4.820 50 0 EJAARN COc1ccccc1[C@H](C)N(C)C(=O)c1cc2ccccc2s1 ZINC000057992727 563936250 /nfs/dbraw/zinc/93/62/50/563936250.db2.gz RMUPCHYMYKGWQM-ZDUSSCGKSA-N 0 0 325.433 4.743 50 0 EJAARN CC(C)c1nc(CN2CCC[C@H](c3nc4ccccc4o3)C2)cs1 ZINC000058052793 563937063 /nfs/dbraw/zinc/93/70/63/563937063.db2.gz ULJIZFAXAGSVIN-AWEZNQCLSA-N 0 0 341.480 4.787 50 0 EJAARN Cc1nc(-c2ccccc2)c(NC(=O)c2cc(F)cc(F)c2)s1 ZINC000058138579 563937719 /nfs/dbraw/zinc/93/77/19/563937719.db2.gz HHRATSQUQWQWBK-UHFFFAOYSA-N 0 0 330.359 4.649 50 0 EJAARN CCN(C(=O)COc1ccc(-c2ccccc2)cc1)C1CCCCC1 ZINC000058142312 563937750 /nfs/dbraw/zinc/93/77/50/563937750.db2.gz BFVZDPWSARWFLS-UHFFFAOYSA-N 0 0 337.463 4.914 50 0 EJAARN CSc1ccc(CN(C)CC(=O)c2c(C)[nH]c3ccccc32)cc1 ZINC000058165256 563938616 /nfs/dbraw/zinc/93/86/16/563938616.db2.gz BQIGJNNIIBHPIB-UHFFFAOYSA-N 0 0 338.476 4.513 50 0 EJAARN O=C(CCc1ccc(F)c(F)c1)N1CCCC[C@@H]1Cc1ccccc1 ZINC000058165961 563938651 /nfs/dbraw/zinc/93/86/51/563938651.db2.gz OERFIFGOILBEIG-GOSISDBHSA-N 0 0 343.417 4.521 50 0 EJAARN CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccccc2OC(F)(F)F)C1(C)C ZINC000058166915 563938732 /nfs/dbraw/zinc/93/87/32/563938732.db2.gz HNEGKRNQEYRTHI-RISCZKNCSA-N 0 0 327.346 4.762 50 0 EJAARN Cc1ccc(NC(=O)[C@H](C)SC/C=C/c2ccccc2)cc1F ZINC000058201690 563939649 /nfs/dbraw/zinc/93/96/49/563939649.db2.gz XYCCCVGJGWRBNA-PPYMECGQSA-N 0 0 329.440 4.908 50 0 EJAARN CC(C)C[C@H](C)N(C(=O)COC1CCCC1)c1ccc2[nH]ccc2c1 ZINC000058222831 563940312 /nfs/dbraw/zinc/94/03/12/563940312.db2.gz TYYMOWHOYMHMFA-INIZCTEOSA-N 0 0 342.483 4.895 50 0 EJAARN CN(C(=O)c1cccc2n[nH]cc21)c1ccc(Oc2ccccc2)cc1 ZINC000058298684 563942021 /nfs/dbraw/zinc/94/20/21/563942021.db2.gz HOHGIWUJAYQLGQ-UHFFFAOYSA-N 0 0 343.386 4.632 50 0 EJAARN Cc1cc(-c2csc(C(C)C)n2)c(C)n1NC(=O)c1ccccc1 ZINC000058324540 563942479 /nfs/dbraw/zinc/94/24/79/563942479.db2.gz UPSXZWMYUUMHEW-UHFFFAOYSA-N 0 0 339.464 4.736 50 0 EJAARN CC(C)c1noc(-c2ccc(NC(=O)NC3CCC(C)CC3)cc2)n1 ZINC000058323215 563942488 /nfs/dbraw/zinc/94/24/88/563942488.db2.gz PNJOISNTIHAQQB-UHFFFAOYSA-N 0 0 342.443 4.560 50 0 EJAARN Cc1cc(F)ccc1NC(=O)NC1(c2ccc(F)cc2)CCCC1 ZINC000058325156 563942593 /nfs/dbraw/zinc/94/25/93/563942593.db2.gz NYCAYYIQMJLBBO-UHFFFAOYSA-N 0 0 330.378 4.864 50 0 EJAARN COc1ccc2oc(C)c(C(=O)N(C3CC3)C3CCCCC3)c2c1 ZINC000058407599 563945266 /nfs/dbraw/zinc/94/52/66/563945266.db2.gz HIQVMYKWOKIYAP-UHFFFAOYSA-N 0 0 327.424 4.687 50 0 EJAARN C[C@@H]1CCN(C(=O)c2[nH]c3ccccc3c2Cl)[C@H]2CCCC[C@H]12 ZINC000058407531 563945267 /nfs/dbraw/zinc/94/52/67/563945267.db2.gz JYAWNGHLPBLRNT-IOASZLSFSA-N 0 0 330.859 4.862 50 0 EJAARN CCN(Cc1ncc(-c2ccccc2)o1)Cc1c(F)cccc1F ZINC000059409773 563948948 /nfs/dbraw/zinc/94/89/48/563948948.db2.gz NLCQYPUMSBQLHL-UHFFFAOYSA-N 0 0 328.362 4.642 50 0 EJAARN C[C@@H](c1ccco1)N(C(=O)Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000060017521 563949552 /nfs/dbraw/zinc/94/95/52/563949552.db2.gz AWDQMOSTQGOAQG-LBPRGKRZSA-N 0 0 337.341 4.593 50 0 EJAARN COc1ccc(-c2cnc(CN[C@H](C)c3ccc(Cl)cc3)o2)cc1 ZINC000060105727 563949680 /nfs/dbraw/zinc/94/96/80/563949680.db2.gz XSINGSLCYKLSIT-CYBMUJFWSA-N 0 0 342.826 4.854 50 0 EJAARN Nc1cc(Oc2cc(N)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1 ZINC000060139772 563949749 /nfs/dbraw/zinc/94/97/49/563949749.db2.gz MJNXYRHZDBJIHR-UHFFFAOYSA-N 0 0 336.235 4.681 50 0 EJAARN COc1ccc([C@@H](NCc2cc(C)on2)c2ccccc2Cl)cc1 ZINC000096417401 563951245 /nfs/dbraw/zinc/95/12/45/563951245.db2.gz YVYZWVVSRXFALF-LJQANCHMSA-N 0 0 342.826 4.524 50 0 EJAARN CC[C@@H]1CN(CC(=O)Nc2cccc(Cl)c2)c2ccccc2S1 ZINC000033059291 563951740 /nfs/dbraw/zinc/95/17/40/563951740.db2.gz HAHXCWMGYVGZKY-OAHLLOKOSA-N 0 0 346.883 4.669 50 0 EJAARN CCc1ccc(NC(=O)CN2C[C@H](CC)Sc3ccccc32)cc1 ZINC000033059310 563951749 /nfs/dbraw/zinc/95/17/49/563951749.db2.gz BQMRHASNAIHJEX-KRWDZBQOSA-N 0 0 340.492 4.578 50 0 EJAARN CC[C@H]1CN(CC(=O)Nc2cc(C)cc(C)c2)c2ccccc2S1 ZINC000033059336 563951773 /nfs/dbraw/zinc/95/17/73/563951773.db2.gz ZOBWIOFHRQWLIG-KRWDZBQOSA-N 0 0 340.492 4.633 50 0 EJAARN Cc1cccc([C@@H]2CCCCCN2S(=O)(=O)c2ccccc2C)c1 ZINC000064984230 563957388 /nfs/dbraw/zinc/95/73/88/563957388.db2.gz NICVYSIMNIWXSR-IBGZPJMESA-N 0 0 343.492 4.609 50 0 EJAARN CC(C)c1cc([C@@H]2CCCN2C(=O)Nc2ccccc2Cl)no1 ZINC000064984815 563957785 /nfs/dbraw/zinc/95/77/85/563957785.db2.gz JPPRQCBOZPZBKK-HNNXBMFYSA-N 0 0 333.819 4.820 50 0 EJAARN C[C@H](c1ccc(O)cc1)n1cnc(-c2ccccc2)c1-c1cccnc1 ZINC000065371909 563958451 /nfs/dbraw/zinc/95/84/51/563958451.db2.gz MBWXXIDDTCFBRH-MRXNPFEDSA-N 0 0 341.414 4.927 50 0 EJAARN c1nc(-c2ccccc2)c(Cc2ccccc2)n1Cc1ccccn1 ZINC000065374082 563958755 /nfs/dbraw/zinc/95/87/55/563958755.db2.gz GXNKDCKIXKAUAK-UHFFFAOYSA-N 0 0 325.415 4.584 50 0 EJAARN Clc1ccc(-c2c(-c3ccccc3)ncn2Cc2ccncn2)cc1 ZINC000065407770 563960316 /nfs/dbraw/zinc/96/03/16/563960316.db2.gz SEPRJEDHWNGVMQ-UHFFFAOYSA-N 0 0 346.821 4.709 50 0 EJAARN Cc1ccccc1-c1ncc(CNCc2csc(C(C)C)n2)s1 ZINC000065409313 563960406 /nfs/dbraw/zinc/96/04/06/563960406.db2.gz XJZSYLNSAVPDOW-UHFFFAOYSA-N 0 0 343.521 4.988 50 0 EJAARN c1nc(-c2ccccc2)c(-c2ccncc2)n1CCCc1cccnc1 ZINC000065409910 563960464 /nfs/dbraw/zinc/96/04/64/563960464.db2.gz XVJWZBBVZSDXIR-UHFFFAOYSA-N 0 0 340.430 4.640 50 0 EJAARN Cc1ccccc1C1=N/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)O1 ZINC000004644692 563962197 /nfs/dbraw/zinc/96/21/97/563962197.db2.gz ABWFPKGFPWKCCJ-OQLLNIDSSA-N 0 0 332.186 4.646 50 0 EJAARN C/C=C\c1cc(C(=O)Nc2cnc3ccccc3c2)cc(OC)c1OC ZINC000096837150 563962760 /nfs/dbraw/zinc/96/27/60/563962760.db2.gz CCZPTRRAVWMVCQ-DAXSKMNVSA-N 0 0 348.402 4.537 50 0 EJAARN COc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3OCCC[C@@H]23)cc1 ZINC000033087875 563963446 /nfs/dbraw/zinc/96/34/46/563963446.db2.gz CLYRUNAEUHOGJD-SNRMKQJTSA-N 0 0 329.827 4.983 50 0 EJAARN O=C(NC1CCCCC1)c1cccc(-c2cnc3ccccc3c2)c1 ZINC000033140126 563963905 /nfs/dbraw/zinc/96/39/05/563963905.db2.gz FDGTVVUMZRINGH-UHFFFAOYSA-N 0 0 330.431 4.964 50 0 EJAARN O=C(Cc1ccccc1F)N(Cc1ccccc1)Cc1ccccc1 ZINC000071415911 563964334 /nfs/dbraw/zinc/96/43/34/563964334.db2.gz GKNWNMGNZVTLEO-UHFFFAOYSA-N 0 0 333.406 4.597 50 0 EJAARN CSc1ccccc1[C@](C)(O)[C@@H](c1ccccc1)c1ccccn1 ZINC000071767237 563965519 /nfs/dbraw/zinc/96/55/19/563965519.db2.gz GVVIRGZGDVHMFR-SFTDATJTSA-N 0 0 335.472 4.843 50 0 EJAARN CCN(CC)C(=S)Sc1nc2c(s1)CCc1ccccc1-2 ZINC000071769668 563965612 /nfs/dbraw/zinc/96/56/12/563965612.db2.gz ISSFBYDCWKIVSU-UHFFFAOYSA-N 0 0 334.535 4.628 50 0 EJAARN O=C(Nc1ccc2oc(C3CC3)nc2c1)c1ccc(OC(F)F)cc1 ZINC000033214043 563965845 /nfs/dbraw/zinc/96/58/45/563965845.db2.gz FJNFTIAFFCUXPT-UHFFFAOYSA-N 0 0 344.317 4.559 50 0 EJAARN O=C1c2ccccc2N[C@H](c2ccc(F)cc2)N1c1ccccc1F ZINC000004710433 563965920 /nfs/dbraw/zinc/96/59/20/563965920.db2.gz ZLEZFIXIXRAMBK-IBGZPJMESA-N 0 0 336.341 4.736 50 0 EJAARN CCc1nc(-c2ccc(C(=O)Nc3cccc4ccccc43)cc2)no1 ZINC000033254257 563966020 /nfs/dbraw/zinc/96/60/20/563966020.db2.gz SWLWRNPOWFNYDZ-UHFFFAOYSA-N 0 0 343.386 4.705 50 0 EJAARN CC(C)C[C@@H](NC(=O)CCCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000060605599 563966110 /nfs/dbraw/zinc/96/61/10/563966110.db2.gz XPCRTAWYOXZUNX-HXUWFJFHSA-N 0 0 349.478 4.789 50 0 EJAARN Cc1nc(-c2ccc(NC(=O)Nc3ccc(C(C)C)cc3)cc2)no1 ZINC000033257382 563966205 /nfs/dbraw/zinc/96/62/05/563966205.db2.gz GMGHCPNNFUPVOV-UHFFFAOYSA-N 0 0 336.395 4.812 50 0 EJAARN O[C@H](c1sccc1-c1ncc[nH]1)c1ccc(Cl)cc1Cl ZINC000075270703 563967156 /nfs/dbraw/zinc/96/71/56/563967156.db2.gz JKBYEVQJKGZTAZ-LBPRGKRZSA-N 0 0 325.220 4.527 50 0 EJAARN CCSc1nc2ccccc2n1Cc1cccc(Br)c1 ZINC000000033272 563967737 /nfs/dbraw/zinc/96/77/37/563967737.db2.gz CSGXQFNBRVHXCP-UHFFFAOYSA-N 0 0 347.281 4.959 50 0 EJAARN Clc1ccc(-c2nnc3sc(/C=C\c4ccccc4)nn32)cc1 ZINC000097135811 563968142 /nfs/dbraw/zinc/96/81/42/563968142.db2.gz GMVDMBXXYVZJNA-WDZFZDKYSA-N 0 0 338.823 4.677 50 0 EJAARN Cc1ccc(-c2ncc(CN3CCC[C@H](O)c4ccccc43)s2)o1 ZINC000097165666 563968543 /nfs/dbraw/zinc/96/85/43/563968543.db2.gz OZQDAGIVUKGWME-KRWDZBQOSA-N 0 0 340.448 4.545 50 0 EJAARN Cc1ccccc1SC1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000077321132 563968924 /nfs/dbraw/zinc/96/89/24/563968924.db2.gz FPELFXLMOVWNCN-UHFFFAOYSA-N 0 0 347.430 4.670 50 0 EJAARN CCCc1ccc2oc(C(=O)N(C)[C@@H](C)c3ccon3)c(C)c2c1 ZINC000077343777 563969087 /nfs/dbraw/zinc/96/90/87/563969087.db2.gz QSJMSWAFQZIRPR-ZDUSSCGKSA-N 0 0 326.396 4.515 50 0 EJAARN Fc1ccc2[nH]c([C@H]3CCCN3Cc3cc(F)cc(Cl)c3)nc2c1 ZINC000077376070 563969225 /nfs/dbraw/zinc/96/92/25/563969225.db2.gz FYZOFHUHPKDUPN-QGZVFWFLSA-N 0 0 347.796 4.832 50 0 EJAARN CCCc1ccc2oc(C(=O)N(C)CCC[C@@H]3CCCO3)c(C)c2c1 ZINC000077407160 563969501 /nfs/dbraw/zinc/96/95/01/563969501.db2.gz IMBXDDVSGOPCKH-QGZVFWFLSA-N 0 0 343.467 4.725 50 0 EJAARN Cc1nc(C(C)C)sc1C(=O)N1CCC[C@H](c2ccccc2C)C1 ZINC000077517181 563970169 /nfs/dbraw/zinc/97/01/69/563970169.db2.gz ZZRWJIIUVYYCBG-INIZCTEOSA-N 0 0 342.508 4.903 50 0 EJAARN Cc1nn2c(nc(C)cc2N2C[C@H](C)C[C@H](C)C2)c1-c1ccc(C)cc1 ZINC000023114987 563970542 /nfs/dbraw/zinc/97/05/42/563970542.db2.gz UOCLXXZZGUZRGQ-IYBDPMFKSA-N 0 0 348.494 4.804 50 0 EJAARN CN(C/C=C/c1ccccc1)C(=O)c1csc(-c2cccs2)n1 ZINC000082170666 563972887 /nfs/dbraw/zinc/97/28/87/563972887.db2.gz RLJCDGFWWABFHB-WEVVVXLNSA-N 0 0 340.473 4.657 50 0 EJAARN CCc1nc2cc(CCC(=O)N[C@H](C)c3ccc(C)cc3C)ccc2[nH]1 ZINC000033290549 563973036 /nfs/dbraw/zinc/97/30/36/563973036.db2.gz KDGWZFIPJJIWRK-MRXNPFEDSA-N 0 0 349.478 4.552 50 0 EJAARN C[C@H](Nc1ccc(NC(=O)N2CCCCCC2)cc1)[C@@H]1CC1(F)F ZINC000585141462 563973396 /nfs/dbraw/zinc/97/33/96/563973396.db2.gz WLAJWTIMFWENNZ-BBRMVZONSA-N 0 0 337.414 4.550 50 0 EJAARN C[C@@H](Nc1ccc(NC(=O)N2CCCCCC2)cc1)[C@@H]1CC1(F)F ZINC000585141467 563973420 /nfs/dbraw/zinc/97/34/20/563973420.db2.gz WLAJWTIMFWENNZ-CJNGLKHVSA-N 0 0 337.414 4.550 50 0 EJAARN Cc1nc(NC2CCCCC2)sc1C(=O)Nc1cccc(F)c1C ZINC000033312281 563973625 /nfs/dbraw/zinc/97/36/25/563973625.db2.gz NMKMBZKKCRDVBO-UHFFFAOYSA-N 0 0 347.459 4.896 50 0 EJAARN CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000085210032 563973748 /nfs/dbraw/zinc/97/37/48/563973748.db2.gz PZDPUQUIZKCNOF-ZDUSSCGKSA-N 0 0 326.234 4.521 50 0 EJAARN CSc1ccccc1C(=O)NC[C@@H](c1ccco1)c1cccs1 ZINC000585146670 563973945 /nfs/dbraw/zinc/97/39/45/563973945.db2.gz AXMYXSLQGDDAIB-AWEZNQCLSA-N 0 0 343.473 4.625 50 0 EJAARN O=C1c2ccccc2N[C@@H](c2cccc(F)c2)N1Cc1ccccc1 ZINC000000070056 563974108 /nfs/dbraw/zinc/97/41/08/563974108.db2.gz HVRQQORHBNXQKX-HXUWFJFHSA-N 0 0 332.378 4.592 50 0 EJAARN O=C(/C=C\c1ccco1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000033327972 563974236 /nfs/dbraw/zinc/97/42/36/563974236.db2.gz UWDUQUPXCUOYCE-QXMHVHEDSA-N 0 0 330.343 4.740 50 0 EJAARN Cc1nc(-c2cc3ccc(C)cc3nc2NCc2cccc(F)c2)no1 ZINC000033331375 563974450 /nfs/dbraw/zinc/97/44/50/563974450.db2.gz SYPNMUAONGIVOM-UHFFFAOYSA-N 0 0 348.381 4.653 50 0 EJAARN O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccccc1Cl ZINC000000077570 563974531 /nfs/dbraw/zinc/97/45/31/563974531.db2.gz AIZQYZSMTNBROI-UHFFFAOYSA-N 0 0 349.777 4.796 50 0 EJAARN Cc1nc(C(C)C)sc1C(=O)N(C)[C@@H](C)c1cc2ccccc2[nH]1 ZINC000091986164 563975956 /nfs/dbraw/zinc/97/59/56/563975956.db2.gz PLHRXTYSEWQYSU-ZDUSSCGKSA-N 0 0 341.480 4.889 50 0 EJAARN Clc1cccc(Cl)c1-c1nc2ccnc(Br)c2o1 ZINC000095698496 563977627 /nfs/dbraw/zinc/97/76/27/563977627.db2.gz PGJONSWOWDTUEE-UHFFFAOYSA-N 0 0 343.995 4.959 50 0 EJAARN Cc1cccc(/C=C(\C(=O)N2CCC[C@@H](C)C2)c2cccs2)c1 ZINC000043926507 563976335 /nfs/dbraw/zinc/97/63/35/563976335.db2.gz DMWBNIKJSBSASB-OKSBFYSISA-N 0 0 325.477 4.856 50 0 EJAARN CN(C(=O)OC(C)(C)C)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000095829243 563977676 /nfs/dbraw/zinc/97/76/76/563977676.db2.gz 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/nfs/dbraw/zinc/98/26/17/563982617.db2.gz MPEVBFOPPVHBJP-LLVKDONJSA-N 0 0 344.867 4.841 50 0 EJAARN Cc1ccc(CCCC(=O)Nc2nc3ccc(F)cc3s2)s1 ZINC000257173357 563984245 /nfs/dbraw/zinc/98/42/45/563984245.db2.gz LCKPIAVRTZONLL-UHFFFAOYSA-N 0 0 334.441 4.767 50 0 EJAARN Brc1ccc(CSc2nnc(-c3ccccc3)o2)cc1 ZINC000000115475 563986688 /nfs/dbraw/zinc/98/66/88/563986688.db2.gz YDJAOINOTAKOOZ-UHFFFAOYSA-N 0 0 347.237 4.791 50 0 EJAARN O=C(Oc1ccc(Nc2ncnc3ccccc32)cc1)C1CCCCC1 ZINC000000132694 563987007 /nfs/dbraw/zinc/98/70/07/563987007.db2.gz KGYDEWBDLNZQHW-UHFFFAOYSA-N 0 0 347.418 4.859 50 0 EJAARN Cc1ccc(NC=C2N=C(c3ccc(Cl)cc3)OC2=O)cc1Cl ZINC000000177501 563987711 /nfs/dbraw/zinc/98/77/11/563987711.db2.gz AAFIJFGKUWYHQG-DHDCSXOGSA-N 0 0 347.201 4.559 50 0 EJAARN COc1ccc(NCc2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000000178665 563987756 /nfs/dbraw/zinc/98/77/56/563987756.db2.gz DJBOPICVOPLWDG-UHFFFAOYSA-N 0 0 343.430 4.705 50 0 EJAARN O=C1CS[C@H](c2ccc(Cl)cc2Cl)N1c1cccc(F)c1 ZINC000000180034 563987802 /nfs/dbraw/zinc/98/78/02/563987802.db2.gz UREDQMNOQGBVDP-OAHLLOKOSA-N 0 0 342.222 4.911 50 0 EJAARN COc1ccc(O)c(-c2cc(C(F)(F)F)nc(-c3ccccc3)n2)c1 ZINC000000185683 563987941 /nfs/dbraw/zinc/98/79/41/563987941.db2.gz FRQKOWGQFVARTL-UHFFFAOYSA-N 0 0 346.308 4.544 50 0 EJAARN O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1cccnc1Cl ZINC000000188056 563987967 /nfs/dbraw/zinc/98/79/67/563987967.db2.gz QYBQRPYAEYPPRH-UHFFFAOYSA-N 0 0 349.777 4.796 50 0 EJAARN Cc1nc2ccc3nc(NC(=O)c4ccc(F)cc4)sc3c2s1 ZINC000000188295 563988006 /nfs/dbraw/zinc/98/80/06/563988006.db2.gz OZIPOEITOYNKOY-UHFFFAOYSA-N 0 0 343.408 4.606 50 0 EJAARN Cc1nc2ccc3nc(NC(=O)c4cccc(C)c4)sc3c2s1 ZINC000000188293 563988021 /nfs/dbraw/zinc/98/80/21/563988021.db2.gz NWWQGMQHNNLYFK-UHFFFAOYSA-N 0 0 339.445 4.775 50 0 EJAARN Cc1cccc(NC(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)c1 ZINC000000192848 563988190 /nfs/dbraw/zinc/98/81/90/563988190.db2.gz SONVRVRNPLMRNE-UHFFFAOYSA-N 0 0 348.185 4.661 50 0 EJAARN Cc1cccc2nc(-c3cccc(NC(=O)c4ccccc4)c3)cn21 ZINC000000203122 563988422 /nfs/dbraw/zinc/98/84/22/563988422.db2.gz GEDWXDOOFPGVLL-UHFFFAOYSA-N 0 0 327.387 4.562 50 0 EJAARN CCc1cccc(NC(=S)N(C)Cc2cn(C)c3ccccc23)c1 ZINC000000221202 563988829 /nfs/dbraw/zinc/98/88/29/563988829.db2.gz MRRAMOLXAAOJJI-UHFFFAOYSA-N 0 0 337.492 4.570 50 0 EJAARN C=CC(=O)N1c2ccccc2Sc2ccc(NC(=O)OCC)cc21 ZINC000000225037 563988984 /nfs/dbraw/zinc/98/89/84/563988984.db2.gz HWRCYGVQASLSKP-UHFFFAOYSA-N 0 0 340.404 4.570 50 0 biogenic EJAARN O=C(Nc1nc2c(cc3c4c(cccc24)CC3)s1)c1ccccc1 ZINC000000239965 563989097 /nfs/dbraw/zinc/98/90/97/563989097.db2.gz SRQCZLNGFORPJJ-UHFFFAOYSA-N 0 0 330.412 4.800 50 0 EJAARN Clc1ccc(OCc2nnc(SCc3ccccc3)o2)cc1 ZINC000000244658 563989208 /nfs/dbraw/zinc/98/92/08/563989208.db2.gz GCRNUJWCSOGMFD-UHFFFAOYSA-N 0 0 332.812 4.594 50 0 EJAARN CCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cc(C)ccc2C)C1 ZINC000000252131 563989507 /nfs/dbraw/zinc/98/95/07/563989507.db2.gz XOIMWOMTJDQCOV-KRWDZBQOSA-N 0 0 347.462 4.584 50 0 EJAARN Cc1cccc2sc(NC(=O)c3cccc(C(F)(F)F)c3)nc21 ZINC000000253369 563989638 /nfs/dbraw/zinc/98/96/38/563989638.db2.gz QOAQIJBZLZWHRX-UHFFFAOYSA-N 0 0 336.338 4.876 50 0 EJAARN Cc1ccc(Sc2ccc(C(=O)NCCC(C)C)cc2N)cc1 ZINC000000261620 563989660 /nfs/dbraw/zinc/98/96/60/563989660.db2.gz FHWHHPDXADDWRA-UHFFFAOYSA-N 0 0 328.481 4.504 50 0 EJAARN CC(=O)c1sc2ccccc2c1OC(=O)c1ccccc1Cl ZINC000000266477 563989966 /nfs/dbraw/zinc/98/99/66/563989966.db2.gz WGSVRPILSQNVRX-UHFFFAOYSA-N 0 0 330.792 4.977 50 0 EJAARN O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1cccnc1 ZINC000000271312 563990038 /nfs/dbraw/zinc/99/00/38/563990038.db2.gz YFGGFUGLVVHWDT-UHFFFAOYSA-N 0 0 349.777 4.796 50 0 EJAARN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCc3ccccc32)cc1 ZINC000000270214 563990053 /nfs/dbraw/zinc/99/00/53/563990053.db2.gz MOQOJIBCCGYPLH-JOCHJYFZSA-N 0 0 342.442 4.738 50 0 EJAARN CC[C@H]1C[C@](C)(c2csc(Nc3ccccc3Cl)n2)OC1=O ZINC000000330700 563991256 /nfs/dbraw/zinc/99/12/56/563991256.db2.gz KLCFJWHXZMHIJJ-MGPLVRAMSA-N 0 0 336.844 4.728 50 0 EJAARN CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000000362912 563991674 /nfs/dbraw/zinc/99/16/74/563991674.db2.gz CWWXLFFHLPFZSM-UHFFFAOYSA-N 0 0 339.460 4.938 50 0 EJAARN CCOC(=O)c1c(NC(=O)C2CCCC2)sc2c1CCCCCC2 ZINC000000369192 563991755 /nfs/dbraw/zinc/99/17/55/563991755.db2.gz ZIQYGVOXXJNPDU-UHFFFAOYSA-N 0 0 349.496 4.713 50 0 EJAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(OC(F)F)c1 ZINC000000374208 563991850 /nfs/dbraw/zinc/99/18/50/563991850.db2.gz IJEAQUKAGVWSEJ-UHFFFAOYSA-N 0 0 331.240 4.559 50 0 EJAARN COc1ccc(C)cc1[C@@H](C)Nc1nc2cc(C)nn2c2ccccc12 ZINC000061174625 563993533 /nfs/dbraw/zinc/99/35/33/563993533.db2.gz HEOMLVQHJSDSNM-OAHLLOKOSA-N 0 0 346.434 4.681 50 0 EJAARN CCCC(=O)Nc1cc(C)c(O)c(-c2nc3cc(Cl)ccc3o2)c1 ZINC000004988474 563993640 /nfs/dbraw/zinc/99/36/40/563993640.db2.gz RMIMNTDQITVFGV-UHFFFAOYSA-N 0 0 344.798 4.901 50 0 EJAARN Cc1ccc2oc(-c3cc(NC(=O)C(C)(C)C)cc(C)c3O)nc2c1 ZINC000004988504 563993653 /nfs/dbraw/zinc/99/36/53/563993653.db2.gz RSYWLQRISHQTIZ-UHFFFAOYSA-N 0 0 338.407 4.802 50 0 EJAARN Fc1ccc(Cc2cn3cc(-c4ccc(F)cc4)nc3s2)cc1 ZINC000005020481 563993820 /nfs/dbraw/zinc/99/38/20/563993820.db2.gz ZXZODLBTJRFEBY-UHFFFAOYSA-N 0 0 326.371 4.932 50 0 EJAARN COc1cccc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)c1 ZINC000005034721 563993959 /nfs/dbraw/zinc/99/39/59/563993959.db2.gz XXVZKQFDICMJAH-UHFFFAOYSA-N 0 0 344.370 4.756 50 0 EJAARN Cc1cccc2c1-c1sc(C(=O)NC3CCCCC3)cc1CO2 ZINC000005048004 563994035 /nfs/dbraw/zinc/99/40/35/563994035.db2.gz GOGPZNFAJHVUET-UHFFFAOYSA-N 0 0 327.449 4.678 50 0 EJAARN O=C(c1cc2c(s1)-c1ccccc1OC2)N1CCc2ccccc2C1 ZINC000005051077 563994077 /nfs/dbraw/zinc/99/40/77/563994077.db2.gz HVLHDWSOBBCEQG-UHFFFAOYSA-N 0 0 347.439 4.506 50 0 aggregator EJAARN C[S@@](=O)c1ccc(NCc2ccc(-c3c(F)cccc3F)o2)cc1 ZINC000121647645 563994204 /nfs/dbraw/zinc/99/42/04/563994204.db2.gz WJVZBOREZIFIBL-DEOSSOPVSA-N 0 0 347.386 4.574 50 0 EJAARN O=C(NC1CCCCCCC1)c1ccccc1OCc1cscn1 ZINC000061431109 563994205 /nfs/dbraw/zinc/99/42/05/563994205.db2.gz WCOKZSUZOBWJMB-UHFFFAOYSA-N 0 0 344.480 4.565 50 0 EJAARN CCOc1cc(O)c(-c2n[nH]c(C)c2Oc2ccccc2)cc1CC ZINC000005095110 563994341 /nfs/dbraw/zinc/99/43/41/563994341.db2.gz PSZIJGLJXVMOKX-UHFFFAOYSA-N 0 0 338.407 4.844 50 0 EJAARN CCn1c(C(=O)NCc2ccc(C)cc2)cc2oc3ccccc3c21 ZINC000005149900 563994669 /nfs/dbraw/zinc/99/46/69/563994669.db2.gz MUPJYGZEFJARRJ-UHFFFAOYSA-N 0 0 332.403 4.646 50 0 EJAARN CSc1ccc(NC(=O)N2c3ccc(F)cc3CC[C@@H]2C)cc1 ZINC000005152353 563994734 /nfs/dbraw/zinc/99/47/34/563994734.db2.gz RQFQTQRGRASWFV-LBPRGKRZSA-N 0 0 330.428 4.921 50 0 EJAARN Cc1cccc(-c2c(NC(=O)C(C)C)oc3c(C)cccc3c2=O)c1 ZINC000100676490 563994768 /nfs/dbraw/zinc/99/47/68/563994768.db2.gz VIGHWJRYRYVXEP-UHFFFAOYSA-N 0 0 335.403 4.671 50 0 EJAARN O=C(Cc1ccc(F)cc1)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000005155409 563994780 /nfs/dbraw/zinc/99/47/80/563994780.db2.gz NTFTZVJZTGAGGG-UHFFFAOYSA-N 0 0 345.377 4.550 50 0 EJAARN COc1cccc(-c2cc3c(SCc4ccccc4)nccn3n2)c1 ZINC000038486614 563994838 /nfs/dbraw/zinc/99/48/38/563994838.db2.gz XPGIXXJYFOOPBX-UHFFFAOYSA-N 0 0 347.443 4.697 50 0 EJAARN CCCCOc1ccccc1C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000011917359 563995494 /nfs/dbraw/zinc/99/54/94/563995494.db2.gz NVKRFQYGRJYTMF-ZDUSSCGKSA-N 0 0 344.480 4.699 50 0 EJAARN O=C(Nc1ccc(SC(F)F)cc1)c1cc(-c2ccccc2)on1 ZINC000011916716 563995504 /nfs/dbraw/zinc/99/55/04/563995504.db2.gz GXEGIUBIMGDYOG-UHFFFAOYSA-N 0 0 346.358 4.909 50 0 EJAARN CCCOc1ccccc1[C@@H](C)NC(=O)Nc1ccc(OC)cc1F ZINC000426503549 563996254 /nfs/dbraw/zinc/99/62/54/563996254.db2.gz MTCUDPYYBNBFIJ-CYBMUJFWSA-N 0 0 346.402 4.506 50 0 EJAARN CC1(C)CN(C(=O)c2cnoc2-c2ccccc2)C[C@H]1c1ccccc1 ZINC000426602515 563996371 /nfs/dbraw/zinc/99/63/71/563996371.db2.gz NXMPPKVKZGYYCJ-IBGZPJMESA-N 0 0 346.430 4.607 50 0 EJAARN Cc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(Cl)cc1Cl ZINC000000284287 563996703 /nfs/dbraw/zinc/99/67/03/563996703.db2.gz QIEKCZRSAQVRRT-UHFFFAOYSA-N 0 0 339.609 4.654 50 0 EJAARN O=C(c1ccccc1Nc1ccccc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000024183593 563997568 /nfs/dbraw/zinc/99/75/68/563997568.db2.gz YLVJFLUNDCWTMY-CQSZACIVSA-N 0 0 348.368 4.845 50 0 EJAARN COC(=O)c1c(C)oc2ccc(OCc3ccccc3Cl)cc21 ZINC000000407217 563997604 /nfs/dbraw/zinc/99/76/04/563997604.db2.gz UPPSMHQMFBCFOX-UHFFFAOYSA-N 0 0 330.767 4.760 50 0 EJAARN CCOC(=O)c1ccc(N[P@](C)(=O)Oc2cc(C)cc(C)c2)cc1 ZINC000000203222 563997950 /nfs/dbraw/zinc/99/79/50/563997950.db2.gz NQGVXZLIPKJQDH-XMMPIXPASA-N 0 0 347.351 4.794 50 0 EJAARN COc1ccc(CN(C(=O)c2ccco2)c2ccc(C)c(C)c2)cc1 ZINC000000411896 563998059 /nfs/dbraw/zinc/99/80/59/563998059.db2.gz WMKNIQZBFLACNV-UHFFFAOYSA-N 0 0 335.403 4.752 50 0 EJAARN O=C1CS[C@H](c2ccc(Cl)cc2Cl)N1c1ccccc1F ZINC000000424020 563998420 /nfs/dbraw/zinc/99/84/20/563998420.db2.gz HDVOROMQJQXBRM-OAHLLOKOSA-N 0 0 342.222 4.911 50 0 EJAARN CCOc1ccc(-c2cn(-c3ccc(F)cc3F)c(=S)[nH]2)cc1 ZINC000000424437 563998462 /nfs/dbraw/zinc/99/84/62/563998462.db2.gz YRPRLEHPXZAPKU-UHFFFAOYSA-N 0 0 332.375 4.879 50 0 EJAARN CN(C(=O)c1cc(-c2ccc(Cl)c(Cl)c2)on1)c1ccccc1 ZINC000000425708 563998973 /nfs/dbraw/zinc/99/89/73/563998973.db2.gz BIQNWDYKVWEOQB-UHFFFAOYSA-N 0 0 347.201 4.925 50 0 EJAARN O=C(N[C@H](c1ccc(F)cc1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000005165642 563999423 /nfs/dbraw/zinc/99/94/23/563999423.db2.gz WEPUEMUTEQQELJ-CYBMUJFWSA-N 0 0 346.616 4.667 50 0 EJAARN CCCC(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2C)c1C ZINC000163942291 563999798 /nfs/dbraw/zinc/99/97/98/563999798.db2.gz PQNZAGINEBDISV-UHFFFAOYSA-N 0 0 344.842 4.948 50 0 EJAARN COc1cccc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)c1 ZINC000005177512 564000007 /nfs/dbraw/zinc/00/00/07/564000007.db2.gz VKJDLOHKBOGKLK-UFSNDUKISA-N 0 0 348.446 4.563 50 0 EJAARN Cc1nc(C)c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1 ZINC000005183479 564000085 /nfs/dbraw/zinc/00/00/85/564000085.db2.gz JYTVQICQUYVGCU-UHFFFAOYSA-N 0 0 334.750 4.684 50 0 EJAARN Cc1ccc(-c2ncc(C(=O)Nc3ccc(C)cc3C)c(C)n2)cc1 ZINC000075437154 564000388 /nfs/dbraw/zinc/00/03/88/564000388.db2.gz CMWYJOOZTNLAAY-UHFFFAOYSA-N 0 0 331.419 4.630 50 0 EJAARN O=C(Nc1cccc(Cl)c1Cl)c1noc2c1CCCCC2 ZINC000061721755 564000536 /nfs/dbraw/zinc/00/05/36/564000536.db2.gz RXXDZYZZHVVEIS-UHFFFAOYSA-N 0 0 325.195 4.503 50 0 EJAARN Cc1noc(C)c1CN(C)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000075696699 564000561 /nfs/dbraw/zinc/00/05/61/564000561.db2.gz DMMIOWLBYXLFPB-UHFFFAOYSA-N 0 0 347.871 4.700 50 0 EJAARN Cc1cc(CN[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)ccc1F ZINC000080342406 564001045 /nfs/dbraw/zinc/00/10/45/564001045.db2.gz LLOJUEVJMOWWQL-GFCCVEGCSA-N 0 0 345.805 4.688 50 0 EJAARN C[C@@H](NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1ccncc1 ZINC000005226848 564001297 /nfs/dbraw/zinc/00/12/97/564001297.db2.gz HTJGOCORNUANPJ-UZLBHIALSA-N 0 0 348.471 4.792 50 0 EJAARN CC(C)CCOc1ccc(Cn2c3ccccc3sc2=O)cc1 ZINC000005234826 564001376 /nfs/dbraw/zinc/00/13/76/564001376.db2.gz OOGPETFBROGQPB-UHFFFAOYSA-N 0 0 327.449 4.536 50 0 EJAARN CCn1cc(NC(=O)NCc2ccccc2Cl)c2ccccc21 ZINC000005266051 564001733 /nfs/dbraw/zinc/00/17/33/564001733.db2.gz LXHXSAAORIPUSR-UHFFFAOYSA-N 0 0 327.815 4.636 50 0 EJAARN CCCCC(=O)Nc1c(-c2cccc(C)c2)c(=O)c2ccccc2n1C ZINC000005267104 564001786 /nfs/dbraw/zinc/00/17/86/564001786.db2.gz YDBKYZLRBBRKGJ-UHFFFAOYSA-N 0 0 348.446 4.643 50 0 EJAARN CCCCCC(=O)Nc1nnc(SCc2ccc(C)cc2)s1 ZINC000014696130 564001885 /nfs/dbraw/zinc/00/18/85/564001885.db2.gz HCXITWIKBAWMFX-UHFFFAOYSA-N 0 0 335.498 4.658 50 0 EJAARN CC(C)c1sc(Cl)nc1C(=O)Nc1nc2c(s1)CCCC2 ZINC000095475844 564002027 /nfs/dbraw/zinc/00/20/27/564002027.db2.gz NTDLHSAEMIBAOI-UHFFFAOYSA-N 0 0 341.889 4.508 50 0 EJAARN Cc1ccc(NC(=O)c2cc(-c3ccc(OC(C)C)cc3)on2)cc1 ZINC000061997165 564002618 /nfs/dbraw/zinc/00/26/18/564002618.db2.gz HPIATZBPLQNZCA-UHFFFAOYSA-N 0 0 336.391 4.690 50 0 EJAARN Fc1ccccc1-c1nnc(SCc2ccccc2)n1C1CC1 ZINC000005333390 564002717 /nfs/dbraw/zinc/00/27/17/564002717.db2.gz NQCVGZLMIVNMMK-UHFFFAOYSA-N 0 0 325.412 4.711 50 0 EJAARN O=C(CSc1nnc(-c2ccccc2)c2ccccc21)c1ccc[nH]1 ZINC000005339950 564002792 /nfs/dbraw/zinc/00/27/92/564002792.db2.gz NOWWYRJLLIIGSB-UHFFFAOYSA-N 0 0 345.427 4.600 50 0 EJAARN O=C(OCc1ccccc1Oc1ccccc1)c1n[nH]c2ccccc21 ZINC000005360262 564003071 /nfs/dbraw/zinc/00/30/71/564003071.db2.gz CGMNQNIYYPQJHC-UHFFFAOYSA-N 0 0 344.370 4.712 50 0 EJAARN O=C(c1cc(-c2ccccc2Cl)nc2ccccc21)N1CCCC1 ZINC000005392393 564003527 /nfs/dbraw/zinc/00/35/27/564003527.db2.gz CSCWAQFKBXKHKL-UHFFFAOYSA-N 0 0 336.822 4.791 50 0 EJAARN CC(C)c1ccc(C(=O)OCC(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000005407556 564003721 /nfs/dbraw/zinc/00/37/21/564003721.db2.gz XRARAEIIFDHCNS-UHFFFAOYSA-N 0 0 336.431 4.729 50 0 EJAARN Cc1ccc(-c2ccc(SCC(=O)c3cccs3)nn2)c(C)c1 ZINC000005411101 564003725 /nfs/dbraw/zinc/00/37/25/564003725.db2.gz DMLDWPHBBBMCGQ-UHFFFAOYSA-N 0 0 340.473 4.797 50 0 EJAARN Cc1ccc(SCC(=O)Nc2ccccc2OC(F)F)cc1C ZINC000002652339 564003965 /nfs/dbraw/zinc/00/39/65/564003965.db2.gz KEQSLHNJWBVZEJ-UHFFFAOYSA-N 0 0 337.391 4.636 50 0 EJAARN COc1cc(OC)cc(-c2nnc(S[C@H](C)c3ccccc3)o2)c1 ZINC000005435338 564003991 /nfs/dbraw/zinc/00/39/91/564003991.db2.gz YFHVVOIMHOGUQR-GFCCVEGCSA-N 0 0 342.420 4.607 50 0 EJAARN O=C(Oc1ccccc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000007987948 564004221 /nfs/dbraw/zinc/00/42/21/564004221.db2.gz WFAJDZMVRDYIGS-CQSZACIVSA-N 0 0 338.432 4.675 50 0 EJAARN O=C(Nc1nonc1-c1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000005452155 564004231 /nfs/dbraw/zinc/00/42/31/564004231.db2.gz MTLHUFWTMWGRKS-UHFFFAOYSA-N 0 0 349.777 4.796 50 0 EJAARN C[C@H](NC(=O)COc1ccccc1-c1ccccc1)c1ccc(F)cc1 ZINC000005458254 564004352 /nfs/dbraw/zinc/00/43/52/564004352.db2.gz GZLFQQMMBADTAC-INIZCTEOSA-N 0 0 349.405 4.749 50 0 EJAARN O=C(/C=C/c1ccco1)Oc1ccc2cc(Br)ccc2c1 ZINC000003284555 564004361 /nfs/dbraw/zinc/00/43/61/564004361.db2.gz ZLEBPHDKBFCKTP-BQYQJAHWSA-N 0 0 343.176 4.814 50 0 EJAARN CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1cc(C)cc(C)c1)CO3 ZINC000005477984 564004512 /nfs/dbraw/zinc/00/45/12/564004512.db2.gz NSMJLCGLTUTKSU-UHFFFAOYSA-N 0 0 349.430 4.637 50 0 EJAARN CCc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc(C)cc1C)CO3 ZINC000005478081 564004530 /nfs/dbraw/zinc/00/45/30/564004530.db2.gz LAKBWWJXISSGOT-UHFFFAOYSA-N 0 0 349.430 4.637 50 0 EJAARN Cc1cccc(Nc2nnc(SC[C@@H]3CCCCO3)s2)c1C ZINC000003463241 564004606 /nfs/dbraw/zinc/00/46/06/564004606.db2.gz LWHZXHXWPGGLJN-ZDUSSCGKSA-N 0 0 335.498 4.560 50 0 EJAARN Cc1ccc(-c2cc(-c3ccc(Br)cc3)n[nH]2)c(O)c1 ZINC000003876296 564004706 /nfs/dbraw/zinc/00/47/06/564004706.db2.gz HZENENAVKUOEEZ-UHFFFAOYSA-N 0 0 329.197 4.520 50 0 EJAARN COCc1c2ccccc2oc1C(=O)Nc1cc(Cl)ccc1C ZINC000005511874 564004852 /nfs/dbraw/zinc/00/48/52/564004852.db2.gz MHMWZLRJWKRQJV-UHFFFAOYSA-N 0 0 329.783 4.793 50 0 EJAARN CC1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cccnc3)=NN12 ZINC000005500863 564004854 /nfs/dbraw/zinc/00/48/54/564004854.db2.gz BGTFFGNVYCZOQU-QOSBUDKSSA-N 0 0 333.435 4.532 50 0 EJAARN CC1(C)c2cc(F)ccc2N2CCC(=O)N[C@@]21/C=C/c1ccccc1 ZINC000005516382 564004946 /nfs/dbraw/zinc/00/49/46/564004946.db2.gz XSJSSVGCHWDXHC-ACUNGTFPSA-N 0 0 336.410 4.693 50 0 EJAARN COc1ccc(OCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 ZINC000005522993 564005060 /nfs/dbraw/zinc/00/50/60/564005060.db2.gz PDBHXZKNCQOQAW-UHFFFAOYSA-N 0 0 341.451 4.960 50 0 EJAARN C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(Br)cc1 ZINC000005529449 564005075 /nfs/dbraw/zinc/00/50/75/564005075.db2.gz GJMWMVPSZHAOPJ-NSHDSACASA-N 0 0 348.215 4.570 50 0 EJAARN CC[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(OC)cc3)=NN21 ZINC000005554536 564005251 /nfs/dbraw/zinc/00/52/51/564005251.db2.gz YWQCDIMSKAEIPY-PKOBYXMFSA-N 0 0 342.826 4.628 50 0 EJAARN COc1ccccc1C(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC000005559005 564005471 /nfs/dbraw/zinc/00/54/71/564005471.db2.gz AOVIUVIJAIDMTQ-UHFFFAOYSA-N 0 0 344.823 4.724 50 0 EJAARN CCCCCCNc1nc2sc3c(c2c2ncnn21)[C@H](C)CCC3 ZINC000005562612 564005634 /nfs/dbraw/zinc/00/56/34/564005634.db2.gz RWUIKFNUHINRLY-GFCCVEGCSA-N 0 0 343.500 4.771 50 0 EJAARN O=C(Nc1ncccc1Cl)c1cc(-c2ccccn2)ccc1Cl ZINC000179887798 564005880 /nfs/dbraw/zinc/00/58/80/564005880.db2.gz WETFZUXLFCSRFV-UHFFFAOYSA-N 0 0 344.201 4.703 50 0 EJAARN CCOC(=O)c1nn(-c2ccccc2)c2c1CC/C2=C\c1ccccc1 ZINC000005592838 564006081 /nfs/dbraw/zinc/00/60/81/564006081.db2.gz BNXISSKNPQJSLT-BMRADRMJSA-N 0 0 344.414 4.536 50 0 EJAARN Cc1oc(C)c(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)c1C ZINC000024347664 564006171 /nfs/dbraw/zinc/00/61/71/564006171.db2.gz QOPWWCVITHFPDS-UHFFFAOYSA-N 0 0 345.402 4.796 50 0 EJAARN CCCn1c2ccccc2nc1NC(=O)c1cc(F)c(F)cc1Cl ZINC000006516421 564006555 /nfs/dbraw/zinc/00/65/55/564006555.db2.gz IZLGMDUKLWYWLR-UHFFFAOYSA-N 0 0 349.768 4.630 50 0 EJAARN O=C(Cc1cccs1)Nc1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000006851870 564006689 /nfs/dbraw/zinc/00/66/89/564006689.db2.gz GDRZWFMNFCMVFP-UHFFFAOYSA-N 0 0 340.473 4.542 50 0 EJAARN Clc1ccc2c(c1)C(c1ccccc1)=NNC(c1ccccc1)=N2 ZINC000007018150 564006795 /nfs/dbraw/zinc/00/67/95/564006795.db2.gz NUSWIKBDIDJYPO-UHFFFAOYSA-N 0 0 331.806 4.774 50 0 EJAARN Cc1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)c(Cl)c1 ZINC000005637075 564006864 /nfs/dbraw/zinc/00/68/64/564006864.db2.gz RRWGREUGRRICQJ-UHFFFAOYSA-N 0 0 342.851 4.953 50 0 EJAARN CCC(CC)n1[nH]c(=O)c2c1NC(=O)CS[C@@H]2c1ccc(C)cc1 ZINC000005642642 564006924 /nfs/dbraw/zinc/00/69/24/564006924.db2.gz FMKHFVBCPACZHA-MRXNPFEDSA-N 0 0 345.468 4.682 50 0 EJAARN FC(F)(F)CCOc1ccc(C(F)(F)F)cc1Br ZINC000169725677 564017203 /nfs/dbraw/zinc/01/72/03/564017203.db2.gz IECSKKTUCXDVTA-UHFFFAOYSA-N 0 0 337.057 4.799 50 0 EJAARN Cc1csc(NC(=O)c2sc(-c3cccc(Cl)c3)nc2C)n1 ZINC000017338466 564011703 /nfs/dbraw/zinc/01/17/03/564011703.db2.gz GJSXBYBTODBUGM-UHFFFAOYSA-N 0 0 349.868 4.789 50 0 EJAARN CC(C)NC(=S)N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000017458150 564011907 /nfs/dbraw/zinc/01/19/07/564011907.db2.gz LMZJPZOZXBRRGH-GOSISDBHSA-N 0 0 344.549 4.589 50 0 EJAARN CC(C)C[C@@H](C(=O)Nc1ccc2[nH]c(C(C)C)nc2c1)n1cccc1 ZINC000409413612 564012217 /nfs/dbraw/zinc/01/22/17/564012217.db2.gz JKXPWDWUHQNTSR-SFHVURJKSA-N 0 0 338.455 4.714 50 0 EJAARN CCOc1ccc(C(=O)Nc2c(C)cc(Br)cc2C)cc1 ZINC000000447731 564012625 /nfs/dbraw/zinc/01/26/25/564012625.db2.gz APIFPBFJZYMZLB-UHFFFAOYSA-N 0 0 348.240 4.717 50 0 EJAARN CC[C@@H](C(=O)Nc1ccc(C)cc1Br)c1ccccc1 ZINC000000438464 564012628 /nfs/dbraw/zinc/01/26/28/564012628.db2.gz RLYVXQDTINZEFZ-CQSZACIVSA-N 0 0 332.241 4.890 50 0 EJAARN CC[C@@H](NC(=O)c1ccc(Br)s1)c1ccc(C)cc1 ZINC000017841586 564013105 /nfs/dbraw/zinc/01/31/05/564013105.db2.gz BNSCLUPUPNWCPK-GFCCVEGCSA-N 0 0 338.270 4.700 50 0 EJAARN CSc1ccc(CN(C)C(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000017972206 564013530 /nfs/dbraw/zinc/01/35/30/564013530.db2.gz LRIBYSLVHNWQRB-UHFFFAOYSA-N 0 0 329.509 4.583 50 0 EJAARN CCCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000003140848 564013566 /nfs/dbraw/zinc/01/35/66/564013566.db2.gz VHSSJYNBZNGSRY-UHFFFAOYSA-N 0 0 342.464 4.618 50 0 EJAARN CCc1ccccc1N1C(=S)N=NC1CSCc1ccccc1 ZINC000006388257 564013841 /nfs/dbraw/zinc/01/38/41/564013841.db2.gz PKYRMADNFNGJJY-UHFFFAOYSA-N 0 0 341.505 4.552 50 0 EJAARN O=C(Nc1ccsc1Cl)N1CCCCC[C@@H]1c1ccncc1 ZINC000189331590 564015038 /nfs/dbraw/zinc/01/50/38/564015038.db2.gz SEYJNLSPCDGIMI-CQSZACIVSA-N 0 0 335.860 4.946 50 0 EJAARN O=C(Cc1ccc2ccccc2c1)Nc1ccc(Br)cc1 ZINC000008205959 564015972 /nfs/dbraw/zinc/01/59/72/564015972.db2.gz ORIAVOGOHPCOGF-UHFFFAOYSA-N 0 0 340.220 4.784 50 0 EJAARN CCOc1ccc([C@@]2(C)CC(C)(C)N(C(C)=O)c3ccccc32)cc1 ZINC000000483413 564016859 /nfs/dbraw/zinc/01/68/59/564016859.db2.gz VNCRQAXLWNKOBD-JOCHJYFZSA-N 0 0 337.463 4.927 50 0 EJAARN Cc1cccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000024369871 564016887 /nfs/dbraw/zinc/01/68/87/564016887.db2.gz TXVULNJNQLFYBI-UHFFFAOYSA-N 0 0 348.246 4.680 50 0 EJAARN Cc1cc(=O)oc2c1ccc1c2CN(c2ccc(C(C)C)cc2)CO1 ZINC000000489702 564017555 /nfs/dbraw/zinc/01/75/55/564017555.db2.gz ITRVYCIILFWIJG-UHFFFAOYSA-N 0 0 335.403 4.581 50 0 biogenic EJAARN COc1ccc([C@@H]2CCCCCN2C(=O)c2cc(F)cc(F)c2)cc1 ZINC000024392479 564017757 /nfs/dbraw/zinc/01/77/57/564017757.db2.gz BKKGSNREAACMSV-IBGZPJMESA-N 0 0 345.389 4.731 50 0 EJAARN C[C@@H]1C[C@@H](c2nc(-c3cccc(Br)c3)cs2)CCO1 ZINC000000497077 564018081 /nfs/dbraw/zinc/01/80/81/564018081.db2.gz YNLILRFUBKENFI-PWSUYJOCSA-N 0 0 338.270 4.855 50 0 EJAARN O=C(Nc1cc(F)ccc1F)C1c2ccccc2Oc2ccccc21 ZINC000005677048 564018096 /nfs/dbraw/zinc/01/80/96/564018096.db2.gz LWMXWAARODSTMV-UHFFFAOYSA-N 0 0 337.325 4.841 50 0 EJAARN c1ccc2c(c1)O[C@H]1c3ccccc3O[C@H]3c4ccccc4O[C@H]2N31 ZINC000018116933 564018199 /nfs/dbraw/zinc/01/81/99/564018199.db2.gz GYHIUCWIJXVSLP-PCCBWWKXSA-N 0 0 329.355 4.562 50 0 EJAARN Cc1cc(C)n(-c2nc3ccccc3nc2Nc2cccc(Cl)c2)n1 ZINC000000499366 564018414 /nfs/dbraw/zinc/01/84/14/564018414.db2.gz BXVKHISBHSDTQU-UHFFFAOYSA-N 0 0 349.825 4.829 50 0 EJAARN CSCCSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 ZINC000005689371 564018863 /nfs/dbraw/zinc/01/88/63/564018863.db2.gz BOVXCZAXRIQMRW-UHFFFAOYSA-N 0 0 345.468 4.529 50 0 EJAARN Cc1cccc(NC(=O)CSc2nc3cc(Cl)ccc3[nH]2)c1C ZINC000018227693 564018889 /nfs/dbraw/zinc/01/88/89/564018889.db2.gz UPSMEXGDSFSTLU-UHFFFAOYSA-N 0 0 345.855 4.564 50 0 EJAARN CCCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1C)CCC2 ZINC000000503359 564019191 /nfs/dbraw/zinc/01/91/91/564019191.db2.gz FWLGHMXVEZQNOD-UHFFFAOYSA-N 0 0 342.464 4.536 50 0 EJAARN COc1ccc(OC)c(NC(=O)c2cccc(Oc3ccccc3)c2)c1 ZINC000005701777 564019478 /nfs/dbraw/zinc/01/94/78/564019478.db2.gz KDYHYSGFGBLDDR-UHFFFAOYSA-N 0 0 349.386 4.748 50 0 EJAARN CC1(C)c2ccccc2N2CCC(=O)N[C@@]21/C=C/c1ccc(F)cc1 ZINC000000507356 564019716 /nfs/dbraw/zinc/01/97/16/564019716.db2.gz ZLNUHQHONULYBH-KONDSOJQSA-N 0 0 336.410 4.693 50 0 EJAARN Cc1ccc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)cc1 ZINC000000508358 564019781 /nfs/dbraw/zinc/01/97/81/564019781.db2.gz LNYJABJRSOALRD-UHFFFAOYSA-N 0 0 336.398 4.944 50 0 EJAARN Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccccc2C)cc1 ZINC000000509703 564019884 /nfs/dbraw/zinc/01/98/84/564019884.db2.gz KXYHFVMTLFZDMJ-UHFFFAOYSA-N 0 0 326.399 4.670 50 0 EJAARN O=C(CCCc1c[nH]c2ccccc12)Nc1nc2ccccc2s1 ZINC000013570494 564020211 /nfs/dbraw/zinc/02/02/11/564020211.db2.gz XRKVPHZYIDATHJ-UHFFFAOYSA-N 0 0 335.432 4.739 50 0 EJAARN COc1ccc2oc(C(=O)c3c(C)oc4ccc(OC)cc43)cc2c1 ZINC000000517154 564020441 /nfs/dbraw/zinc/02/04/41/564020441.db2.gz KUYVBSWFAOHPPI-UHFFFAOYSA-N 0 0 336.343 4.736 50 0 biogenic EJAARN Cc1oc2c(ccc3c2OCCCO3)c(=O)c1-c1ccc(Cl)cc1 ZINC000000518453 564020512 /nfs/dbraw/zinc/02/05/12/564020512.db2.gz YBYSUXGMCUJOKE-UHFFFAOYSA-N 0 0 342.778 4.583 50 0 biogenic EJAARN O=C(/C=C\c1ccccc1)Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000013634868 564020549 /nfs/dbraw/zinc/02/05/49/564020549.db2.gz PBTOPWOJUMGLGZ-TWGQIWQCSA-N 0 0 341.370 4.542 50 0 EJAARN CC1(C)CN=C(N(C(=S)Nc2ccccc2)c2ccccc2)S1 ZINC000000521053 564021016 /nfs/dbraw/zinc/02/10/16/564021016.db2.gz VNNHFXZKOIUMEN-UHFFFAOYSA-N 0 0 341.505 4.771 50 0 EJAARN COc1ccc(-c2nn3cc(-c4ccccc4)c4c3n2CCCC4)cc1 ZINC000000521483 564021029 /nfs/dbraw/zinc/02/10/29/564021029.db2.gz YDCGCIMIVWTHKU-UHFFFAOYSA-N 0 0 343.430 4.815 50 0 EJAARN CCCC(=O)Nc1c(-c2ccc3ccccc3c2)nc2ccccn21 ZINC000000521604 564021050 /nfs/dbraw/zinc/02/10/50/564021050.db2.gz ODTYWDAJTKOINT-UHFFFAOYSA-N 0 0 329.403 4.893 50 0 EJAARN CN(C)c1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2)cc1 ZINC000000522118 564021097 /nfs/dbraw/zinc/02/10/97/564021097.db2.gz URECTSNXAXRQHO-OAQYLSRUSA-N 0 0 343.430 4.524 50 0 EJAARN C/C(Cl)=C\CSc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000000522771 564021125 /nfs/dbraw/zinc/02/11/25/564021125.db2.gz VLRSNBJYHDADPU-MOIHINDBSA-N 0 0 339.917 4.633 50 0 EJAARN CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCC)cc21 ZINC000000522785 564021128 /nfs/dbraw/zinc/02/11/28/564021128.db2.gz POQRVASDGIIGAM-UHFFFAOYSA-N 0 0 337.419 4.573 50 0 EJAARN COc1cc(-c2ccc(SC)cc2)cc(=O)c2c(C)oc(C)c21 ZINC000000526159 564021219 /nfs/dbraw/zinc/02/12/19/564021219.db2.gz JWVOOUUXARMUMD-UHFFFAOYSA-N 0 0 326.417 4.807 50 0 biogenic EJAARN CC[C@](C)(CC(=O)NCc1ccc(OC(C)C)cc1)c1ccccc1 ZINC000000530800 564021517 /nfs/dbraw/zinc/02/15/17/564021517.db2.gz GQAGYQMHJDLKGK-JOCHJYFZSA-N 0 0 339.479 4.848 50 0 EJAARN CC(C)Cc1nc2sc3c(ncnc3Cl)c2c2c1CCCC2 ZINC000000535156 564022074 /nfs/dbraw/zinc/02/20/74/564022074.db2.gz OTPRCMWLHIERAI-UHFFFAOYSA-N 0 0 331.872 4.970 50 0 EJAARN C[C@]1(c2ccc(F)cc2)Nc2ccccc2-c2nc3ccccc3n21 ZINC000000541252 564022465 /nfs/dbraw/zinc/02/24/65/564022465.db2.gz CWOLVFQROPLVTH-NRFANRHFSA-N 0 0 329.378 4.989 50 0 EJAARN CCN1c2ccccc2-c2nc3ccccc3n2[C@H]1c1ccc(C)o1 ZINC000000541187 564022468 /nfs/dbraw/zinc/02/24/68/564022468.db2.gz UBOQBAVCWNNPSY-NRFANRHFSA-N 0 0 329.403 4.992 50 0 EJAARN O=C(Nc1nnc(-c2ccc(F)cc2)s1)Nc1cccc(Cl)c1 ZINC000000546515 564022739 /nfs/dbraw/zinc/02/27/39/564022739.db2.gz HKGSFYMDXCNVOF-UHFFFAOYSA-N 0 0 348.790 4.642 50 0 EJAARN Cc1ccc(C2=NN(C(=O)c3ccccc3)[C@@H](c3ccco3)C2)cc1 ZINC000000547662 564022806 /nfs/dbraw/zinc/02/28/06/564022806.db2.gz VUYUAJIUHZHAIS-LJQANCHMSA-N 0 0 330.387 4.580 50 0 EJAARN Oc1cccc(Oc2c(F)c(N3CCCCC3)nc(F)c2Cl)c1 ZINC000000552969 564023042 /nfs/dbraw/zinc/02/30/42/564023042.db2.gz CXGAAVWZZLVYTH-UHFFFAOYSA-N 0 0 340.757 4.501 50 0 EJAARN O=C(c1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1cccs1 ZINC000000553909 564023102 /nfs/dbraw/zinc/02/31/02/564023102.db2.gz CANXOKJCSQTLOW-GOSISDBHSA-N 0 0 332.428 4.740 50 0 EJAARN Cc1ccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)cc1F ZINC000000553905 564023104 /nfs/dbraw/zinc/02/31/04/564023104.db2.gz OATKZNWWTABKCB-UHFFFAOYSA-N 0 0 344.349 4.676 50 0 EJAARN COc1ccc(-c2csc(NC(=O)c3ccc(C)c(C)c3)n2)cc1 ZINC000000567861 564023440 /nfs/dbraw/zinc/02/34/40/564023440.db2.gz FJKSLPNWOHXSOR-UHFFFAOYSA-N 0 0 338.432 4.688 50 0 EJAARN Cc1nc(-c2ccc(NC(=S)Nc3ccccc3)cc2)cs1 ZINC000000574058 564024013 /nfs/dbraw/zinc/02/40/13/564024013.db2.gz TVPFUNXSDHTDIY-UHFFFAOYSA-N 0 0 325.462 4.927 50 0 EJAARN COc1ccccc1C(=O)N(Cc1ccccc1)c1ccc(C)cc1 ZINC000000577228 564024190 /nfs/dbraw/zinc/02/41/90/564024190.db2.gz NUTKUHCGVVJHEY-UHFFFAOYSA-N 0 0 331.415 4.851 50 0 EJAARN Fc1ccc(CSc2nnc3c4ccccc4[nH]c3n2)c(Cl)c1 ZINC000005731719 564024600 /nfs/dbraw/zinc/02/46/00/564024600.db2.gz OYRRJSJCOJWPDS-UHFFFAOYSA-N 0 0 344.802 4.591 50 0 EJAARN COc1ccc(-c2nc3ccccc3c(N3CCCCCC3)n2)cc1 ZINC000005744961 564024960 /nfs/dbraw/zinc/02/49/60/564024960.db2.gz QGVWXXVTUCSDIZ-UHFFFAOYSA-N 0 0 333.435 4.686 50 0 EJAARN CCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Cl)cc1 ZINC000047157680 564025781 /nfs/dbraw/zinc/02/57/81/564025781.db2.gz FCYPOPVHMSRCTA-UHFFFAOYSA-N 0 0 341.798 4.512 50 0 EJAARN C[C@H]1CCCN(C(=O)/C(=C\c2ccc(F)cc2)c2cccs2)C1 ZINC000044650069 564027084 /nfs/dbraw/zinc/02/70/84/564027084.db2.gz JKNHLYVHKVILGP-VMOJBDSFSA-N 0 0 329.440 4.686 50 0 EJAARN C[C@@H](NC(=O)c1cc(-c2cccc3ccccc32)n[nH]1)c1ccccc1 ZINC000044839316 564027364 /nfs/dbraw/zinc/02/73/64/564027364.db2.gz WDBGIHNBRLVZRE-OAHLLOKOSA-N 0 0 341.414 4.721 50 0 EJAARN C[C@H](NC(=O)c1cc(-c2cccc3ccccc32)n[nH]1)c1ccccc1 ZINC000044839311 564027371 /nfs/dbraw/zinc/02/73/71/564027371.db2.gz WDBGIHNBRLVZRE-HNNXBMFYSA-N 0 0 341.414 4.721 50 0 EJAARN Cc1nc(SCc2nc(C3CC3)no2)n(C2CCCCC2)c1C ZINC000045003070 564028067 /nfs/dbraw/zinc/02/80/67/564028067.db2.gz YMDZJJZPPUDODR-UHFFFAOYSA-N 0 0 332.473 4.558 50 0 EJAARN COc1cc(OC)c(NC(=O)Nc2ccc(C)c(C)c2)cc1Cl ZINC000051354190 564028528 /nfs/dbraw/zinc/02/85/28/564028528.db2.gz SVXBTIGBFJCZNR-UHFFFAOYSA-N 0 0 334.803 4.618 50 0 EJAARN CCCCOC(=O)c1nc2ccccc2nc1Nc1cccc(C)c1C ZINC000045901571 564028828 /nfs/dbraw/zinc/02/88/28/564028828.db2.gz PFCALJVMQIFUEV-UHFFFAOYSA-N 0 0 349.434 4.947 50 0 EJAARN CCCCOC(=O)c1nc2ccccc2nc1Nc1ccc(C)cc1C ZINC000045901566 564028836 /nfs/dbraw/zinc/02/88/36/564028836.db2.gz CCXKNWYIFYGZQR-UHFFFAOYSA-N 0 0 349.434 4.947 50 0 EJAARN Cc1[nH]c2ccc(C(=O)N(C)Cc3ccc([C@@H]4C[C@H]4C)o3)cc2c1C ZINC000045927540 564028950 /nfs/dbraw/zinc/02/89/50/564028950.db2.gz RRYUPXSQGLEUQE-SJKOYZFVSA-N 0 0 336.435 4.773 50 0 EJAARN Cc1ccc([C@H]2CCCN2C(=O)Cc2c(F)cccc2Cl)cc1 ZINC000046017929 564029206 /nfs/dbraw/zinc/02/92/06/564029206.db2.gz BYUZNFTUAVIPNN-GOSISDBHSA-N 0 0 331.818 4.694 50 0 EJAARN O=C(N1CCC[C@@H]1c1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000046018077 564029210 /nfs/dbraw/zinc/02/92/10/564029210.db2.gz SMBPOFFEWKPIDD-KXDMBUCYSA-N 0 0 327.443 4.706 50 0 EJAARN Cc1ccc([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2Cl)cc1 ZINC000046017942 564029213 /nfs/dbraw/zinc/02/92/13/564029213.db2.gz SOTSBJPXBZCILW-SFHVURJKSA-N 0 0 331.818 4.694 50 0 EJAARN COc1ccc(-c2csc3c2NC(=O)C[C@H]3c2cccs2)cc1 ZINC000046076432 564029396 /nfs/dbraw/zinc/02/93/96/564029396.db2.gz DXACSAMKUPORPF-ZDUSSCGKSA-N 0 0 341.457 4.959 50 0 EJAARN Clc1ccc(Oc2cnc3ccccc3n2)c(Br)c1 ZINC000048412894 564031734 /nfs/dbraw/zinc/03/17/34/564031734.db2.gz GVRJFPRRIKMBHN-UHFFFAOYSA-N 0 0 335.588 4.838 50 0 EJAARN COc1ccc(-c2csc3c2NC(=O)C[C@@H]3c2cccs2)cc1 ZINC000046076429 564029407 /nfs/dbraw/zinc/02/94/07/564029407.db2.gz DXACSAMKUPORPF-CYBMUJFWSA-N 0 0 341.457 4.959 50 0 EJAARN COc1ccc(-c2nc(CN3CCC[C@@H]3c3ccsc3)co2)cc1 ZINC000046089115 564029561 /nfs/dbraw/zinc/02/95/61/564029561.db2.gz JEWBZYFFYYFPKP-GOSISDBHSA-N 0 0 340.448 4.749 50 0 EJAARN CC(C)c1ccc([C@H](C)NC(=O)c2ccc(C(F)(F)F)nc2)cc1 ZINC000048287613 564030537 /nfs/dbraw/zinc/03/05/37/564030537.db2.gz KHHOMHPVPUDJOO-LBPRGKRZSA-N 0 0 336.357 4.715 50 0 EJAARN Cc1cccc(OCc2nnc(S[C@H](C)c3ccc(F)cc3)o2)c1 ZINC000048331590 564031175 /nfs/dbraw/zinc/03/11/75/564031175.db2.gz YQGPAFPOXILMQM-CYBMUJFWSA-N 0 0 344.411 4.949 50 0 EJAARN COc1cc([C@@H](C)NC(=O)c2cccs2)ccc1OC1CCCC1 ZINC000048339857 564031191 /nfs/dbraw/zinc/03/11/91/564031191.db2.gz UKDFYWYRTDSWGY-CYBMUJFWSA-N 0 0 345.464 4.569 50 0 EJAARN CN(Cc1ccc(O)cc1)C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000048361927 564031461 /nfs/dbraw/zinc/03/14/61/564031461.db2.gz QPKDWKQNSBWXBU-UHFFFAOYSA-N 0 0 332.403 4.723 50 0 EJAARN CSc1cccc2sc(NC(=O)Nc3ccccc3F)nc21 ZINC000049025984 564032413 /nfs/dbraw/zinc/03/24/13/564032413.db2.gz HTETVLVUEAAGNQ-UHFFFAOYSA-N 0 0 333.413 4.801 50 0 EJAARN Cc1ccc(N(C)C(=O)c2csc(-c3ccco3)n2)cc1Cl ZINC000113068421 564032487 /nfs/dbraw/zinc/03/24/87/564032487.db2.gz VBJAZEGCYHVBNZ-UHFFFAOYSA-N 0 0 332.812 4.642 50 0 EJAARN CC(N=Nc1nc2ccccc2c(-c2ccccc2)n1)c1ccco1 ZINC000245283780 564033593 /nfs/dbraw/zinc/03/35/93/564033593.db2.gz OTMHKBZAINGMSK-UHFFFAOYSA-N 0 0 328.375 4.726 50 0 EJAARN O=C1c2ccccc2N[C@H](c2ccccc2Cl)N1Cc1ccco1 ZINC000007112498 564034103 /nfs/dbraw/zinc/03/41/03/564034103.db2.gz YJFKBSRQBMPVSS-SFHVURJKSA-N 0 0 338.794 4.700 50 0 EJAARN COCc1cccc(CNC(=O)N(c2ccccc2)c2ccccc2)c1 ZINC000181924123 564034207 /nfs/dbraw/zinc/03/42/07/564034207.db2.gz TWIWIKRMKDSTQM-UHFFFAOYSA-N 0 0 346.430 4.881 50 0 EJAARN Cc1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)c(C)c1 ZINC000008007300 564034588 /nfs/dbraw/zinc/03/45/88/564034588.db2.gz MOBSGJOJRDWBNX-UHFFFAOYSA-N 0 0 328.462 4.670 50 0 EJAARN Cc1cc(C(=O)Nc2ccc(Br)cc2F)c(C)s1 ZINC000007988778 564034589 /nfs/dbraw/zinc/03/45/89/564034589.db2.gz XCWFERNETWGHRO-UHFFFAOYSA-N 0 0 328.206 4.519 50 0 EJAARN CN(CCC[C@@H]1CCCO1)C(=O)c1ccccc1Oc1ccccc1 ZINC000219629683 564035166 /nfs/dbraw/zinc/03/51/66/564035166.db2.gz MRTICTUSNMLONJ-QGZVFWFLSA-N 0 0 339.435 4.510 50 0 EJAARN O=C(COc1ccc2ccccc2c1)N[C@@H]1CCSc2ccccc21 ZINC000008402113 564035594 /nfs/dbraw/zinc/03/55/94/564035594.db2.gz ZXQWFDUEBHWQTI-LJQANCHMSA-N 0 0 349.455 4.572 50 0 EJAARN Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(COc3ccccc3)o2)c1 ZINC000024958531 564035692 /nfs/dbraw/zinc/03/56/92/564035692.db2.gz QOORIXOAWNJJRB-QGZVFWFLSA-N 0 0 349.430 4.966 50 0 EJAARN O=C(Nc1ccc(N2CCCCCC2)cc1)c1cc(F)cc(F)c1 ZINC000008427996 564035782 /nfs/dbraw/zinc/03/57/82/564035782.db2.gz WHUVMKCMNCFPGX-UHFFFAOYSA-N 0 0 330.378 4.598 50 0 EJAARN Cc1cc(C(F)(F)F)c2c(N)c(-c3nc4ccccc4[nH]3)sc2n1 ZINC000220967786 564036007 /nfs/dbraw/zinc/03/60/07/564036007.db2.gz MVXCBXHWFDPQEO-UHFFFAOYSA-N 0 0 348.353 4.749 50 0 EJAARN Cc1ccc(NC(=O)c2ccc(CSc3ccccc3)o2)c(O)c1 ZINC000032770179 564036203 /nfs/dbraw/zinc/03/62/03/564036203.db2.gz CNYWENXEFBYHPH-UHFFFAOYSA-N 0 0 339.416 4.838 50 0 EJAARN O=C(c1cc(-c2ccccc2Cl)on1)N1CCC[C@H]1c1ccco1 ZINC000033012289 564036367 /nfs/dbraw/zinc/03/63/67/564036367.db2.gz VPWUQWBDGMUFHV-HNNXBMFYSA-N 0 0 342.782 4.565 50 0 EJAARN Cc1ccc(-n2nc(C(=O)Nc3cccc(C)c3)c3ccccc32)cc1 ZINC000033300675 564036650 /nfs/dbraw/zinc/03/66/50/564036650.db2.gz KKBSLMUAVCUFLT-UHFFFAOYSA-N 0 0 341.414 4.895 50 0 EJAARN COc1cccc2ccc(/C=C\c3cc4c(cc3Cl)OCO4)nc21 ZINC000033462201 564036782 /nfs/dbraw/zinc/03/67/82/564036782.db2.gz AFNTZUNUMWMINB-VURMDHGXSA-N 0 0 339.778 4.796 50 0 EJAARN c1ccc([C@H](NCc2nc3ccccc3s2)c2ccccn2)cc1 ZINC000026877793 564040891 /nfs/dbraw/zinc/04/08/91/564040891.db2.gz FNFDTQHMJZEVSW-FQEVSTJZSA-N 0 0 331.444 4.571 50 0 EJAARN CCOc1ccc(C(=O)COc2ccc(Cl)c3cccnc23)cc1 ZINC000028047715 564043502 /nfs/dbraw/zinc/04/35/02/564043502.db2.gz DOXSKTLATZYCNV-UHFFFAOYSA-N 0 0 341.794 4.549 50 0 EJAARN Cc1nc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3Cl)cc2o1 ZINC000225401395 564046436 /nfs/dbraw/zinc/04/64/36/564046436.db2.gz DFQBZVVBTMGSKM-QGZVFWFLSA-N 0 0 340.810 4.767 50 0 EJAARN Cc1ccc(CNc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)o1 ZINC000225417087 564046541 /nfs/dbraw/zinc/04/65/41/564046541.db2.gz CAJAREAUWWJJOO-OAHLLOKOSA-N 0 0 326.440 4.523 50 0 EJAARN C[C@H](NC(=O)c1cc2ccccc2[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000030477668 564049850 /nfs/dbraw/zinc/04/98/50/564049850.db2.gz ODLRLIUPBXUZOO-NSHDSACASA-N 0 0 332.325 4.678 50 0 EJAARN CC(C)c1ccoc1C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1 ZINC000240871391 564051839 /nfs/dbraw/zinc/05/18/39/564051839.db2.gz IKEKOJUDNAACFQ-UHFFFAOYSA-N 0 0 347.321 4.643 50 0 EJAARN Cc1ccc(C)c(-c2nnc(-c3nnc(-c4cc(C)ccc4C)o3)o2)c1 ZINC000252488467 564053406 /nfs/dbraw/zinc/05/34/06/564053406.db2.gz ISLWWEIYKTVPDB-UHFFFAOYSA-N 0 0 346.390 4.687 50 0 EJAARN Cc1ccc(SC2CCN(C(=O)[C@@H](C)c3ccccc3)CC2)cc1 ZINC000252497581 564053517 /nfs/dbraw/zinc/05/35/17/564053517.db2.gz QKKNRAALUDIVFF-KRWDZBQOSA-N 0 0 339.504 4.882 50 0 EJAARN O=C(Nc1nc2ccc(Cl)cc2s1)[C@@H]1C[C@H]1c1ccccc1 ZINC000000999391 564053949 /nfs/dbraw/zinc/05/39/49/564053949.db2.gz OXNAXRHJNUMJHJ-QWHCGFSZSA-N 0 0 328.824 4.692 50 0 EJAARN O=C(c1cc2c(s1)CCCCCC2)N1CCC[C@@H]1c1ccncc1 ZINC000025512199 564054508 /nfs/dbraw/zinc/05/45/08/564054508.db2.gz GVZDFOOGYKVCLM-QGZVFWFLSA-N 0 0 340.492 4.779 50 0 EJAARN CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC(=O)[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]12C ZINC000257345968 564055858 /nfs/dbraw/zinc/05/58/58/564055858.db2.gz NTPXXNCDCQTPIF-DXWVLXIHSA-N 0 0 332.484 4.530 50 0 EJAARN CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCC(=O)C[C@]4(C)[C@H]3CC[C@@]12C ZINC000257346167 564055891 /nfs/dbraw/zinc/05/58/91/564055891.db2.gz SYTVBUBBHFDVIK-ULHUPKOHSA-N 0 0 332.484 4.530 50 0 EJAARN CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000257359013 564056001 /nfs/dbraw/zinc/05/60/01/564056001.db2.gz XXSFRYVGIQYVIQ-KNPSMPPGSA-N 0 0 330.512 4.761 50 0 EJAARN CC(C)(C)OC(=O)N1c2cc(OCc3ccccc3)ccc2CC1=O ZINC000261493764 564056169 /nfs/dbraw/zinc/05/61/69/564056169.db2.gz IUXDDQFCCQUBKP-UHFFFAOYSA-N 0 0 339.391 4.709 50 0 EJAARN O=C(CSc1nc2cc(Cl)ccc2[nH]1)c1ccc(Cl)s1 ZINC000005827186 564056534 /nfs/dbraw/zinc/05/65/34/564056534.db2.gz HHWSGSQQCIZJHM-UHFFFAOYSA-N 0 0 343.260 4.906 50 0 EJAARN O=C(Cc1ccccc1)n1cc(Cl)c2cc(C(F)(F)F)cnc21 ZINC000263639988 564056552 /nfs/dbraw/zinc/05/65/52/564056552.db2.gz RQAUFKWWPZXBTG-UHFFFAOYSA-N 0 0 338.716 4.591 50 0 EJAARN Cc1ccc(C(=O)[C@H](Sc2nccn2C)c2ccc(C)cc2)cc1 ZINC000005358651 564056665 /nfs/dbraw/zinc/05/66/65/564056665.db2.gz AZTYBMRKSDQBDL-LJQANCHMSA-N 0 0 336.460 4.753 50 0 EJAARN Cc1oc(C)c(C(=O)NCc2ccccc2Oc2ccccc2)c1C ZINC000063250228 564056838 /nfs/dbraw/zinc/05/68/38/564056838.db2.gz VOUAGAYKOXPGJE-UHFFFAOYSA-N 0 0 335.403 4.927 50 0 EJAARN CCCNC(=O)c1cc2c3ccccc3[nH]c2c(-c2ccc(C)cc2)n1 ZINC000005891843 564056840 /nfs/dbraw/zinc/05/68/40/564056840.db2.gz XZZQZTFXIPMMHO-UHFFFAOYSA-N 0 0 343.430 4.831 50 0 biogenic EJAARN CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccco3)n2)cc1 ZINC000005904512 564056884 /nfs/dbraw/zinc/05/68/84/564056884.db2.gz CUEIVJVSVGQASK-UHFFFAOYSA-N 0 0 326.421 4.953 50 0 EJAARN CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccncc3)n2)cc1 ZINC000005904517 564056888 /nfs/dbraw/zinc/05/68/88/564056888.db2.gz OBDKLBVQSVMXFZ-UHFFFAOYSA-N 0 0 337.448 4.755 50 0 EJAARN CCc1cc(C(=O)OC)c(NC(=S)Nc2cc(C)cc(C)c2)s1 ZINC000005950064 564057263 /nfs/dbraw/zinc/05/72/63/564057263.db2.gz CCOKFHADSQZIMK-UHFFFAOYSA-N 0 0 348.493 4.523 50 0 EJAARN O=C(NCc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1Cl ZINC000005980778 564057447 /nfs/dbraw/zinc/05/74/47/564057447.db2.gz IFHZOGDEYHFNQO-UHFFFAOYSA-N 0 0 348.151 4.942 50 0 EJAARN Cc1nc(C2(NCc3cccc4ccccc43)CCCCCC2)no1 ZINC000063512102 564057721 /nfs/dbraw/zinc/05/77/21/564057721.db2.gz FNEBBOYJAHMBDJ-UHFFFAOYSA-N 0 0 335.451 4.871 50 0 EJAARN CC(=O)c1cc(Cl)ccc1OCc1cc(F)cc2cccnc21 ZINC000031607516 564057833 /nfs/dbraw/zinc/05/78/33/564057833.db2.gz LAAKODNICLVIRU-UHFFFAOYSA-N 0 0 329.758 4.809 50 0 EJAARN Cc1nnc(CN[C@@H](c2ccccc2)c2cc(Cl)ccc2Cl)o1 ZINC000183733113 564057843 /nfs/dbraw/zinc/05/78/43/564057843.db2.gz RVMDWQIFNWVPPN-KRWDZBQOSA-N 0 0 348.233 4.564 50 0 EJAARN Cc1cccc(COc2c(=O)c3ccccc3oc2-c2ccco2)c1 ZINC000001978249 564058105 /nfs/dbraw/zinc/05/81/05/564058105.db2.gz RYTYZBNMRMWJDF-UHFFFAOYSA-N 0 0 332.355 4.940 50 0 EJAARN Cc1sc2nc(C)nc(SCc3nccn3C(F)F)c2c1C ZINC000012531416 564058284 /nfs/dbraw/zinc/05/82/84/564058284.db2.gz VQZGYGUWMLECPD-UHFFFAOYSA-N 0 0 340.424 4.500 50 0 EJAARN COc1cccc2cc(-c3cc(=O)oc4ccc(Cl)cc43)oc21 ZINC000002132050 564058382 /nfs/dbraw/zinc/05/83/82/564058382.db2.gz IRMCDVODLNYBBL-UHFFFAOYSA-N 0 0 326.735 4.868 50 0 biogenic EJAARN COc1ccc(-n2c(-c3ccccc3)cn3c4ccccc4nc32)cc1 ZINC000003205344 564058423 /nfs/dbraw/zinc/05/84/23/564058423.db2.gz WZNPFESXIAQESA-UHFFFAOYSA-N 0 0 339.398 4.954 50 0 EJAARN CC(=O)c1cccc(Nc2nc(C(F)(F)F)nc3ccccc32)c1 ZINC000012542696 564058712 /nfs/dbraw/zinc/05/87/12/564058712.db2.gz NVHDRQMNJSNEJO-UHFFFAOYSA-N 0 0 331.297 4.595 50 0 EJAARN O=C(Nc1ccccc1Oc1ccccc1)c1ccc2[nH]cnc2c1 ZINC000012547884 564058973 /nfs/dbraw/zinc/05/89/73/564058973.db2.gz HYNFJAAYTKNXGL-UHFFFAOYSA-N 0 0 329.359 4.608 50 0 EJAARN c1sc2ncnc(OCCOc3ccccc3)c2c1-c1ccccc1 ZINC000003281205 564059010 /nfs/dbraw/zinc/05/90/10/564059010.db2.gz YASKUODIRBXLAX-UHFFFAOYSA-N 0 0 348.427 4.816 50 0 EJAARN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1ncccc1C ZINC000012549662 564059014 /nfs/dbraw/zinc/05/90/14/564059014.db2.gz CRHQAMNHWFCYJF-UHFFFAOYSA-N 0 0 343.839 4.728 50 0 EJAARN CCn1c2ccccc2nc1S[C@@H](C)C(=O)c1ccc(F)cc1 ZINC000012550872 564059095 /nfs/dbraw/zinc/05/90/95/564059095.db2.gz QZFYOHUQEFKYMH-LBPRGKRZSA-N 0 0 328.412 4.559 50 0 EJAARN Cc1cc2occ(CC(=O)NCc3ccc(F)cc3)c2cc1C(C)C ZINC000003306460 564059164 /nfs/dbraw/zinc/05/91/64/564059164.db2.gz CLWIZADTCPDUED-UHFFFAOYSA-N 0 0 339.410 4.863 50 0 EJAARN c1csc(-c2noc(CSCc3nc4ccccc4s3)n2)c1 ZINC000012552498 564059240 /nfs/dbraw/zinc/05/92/40/564059240.db2.gz LCZPCBVTBSZNSV-UHFFFAOYSA-N 0 0 345.474 4.841 50 0 EJAARN Cc1c(Cl)cccc1NC(=O)[C@@H](C)Nc1ccc2c(c1)CCC2 ZINC000012554940 564059283 /nfs/dbraw/zinc/05/92/83/564059283.db2.gz CJXYYTIXNUVPDW-CYBMUJFWSA-N 0 0 328.843 4.576 50 0 EJAARN Cc1ccc(NC(=O)[C@H](C)Sc2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000003501063 564059849 /nfs/dbraw/zinc/05/98/49/564059849.db2.gz YKURYWRVDBRMPS-NSHDSACASA-N 0 0 345.855 4.644 50 0 EJAARN COc1ccc(NC(=O)Cc2coc3cc(C)ccc23)cc1Cl ZINC000003615728 564060038 /nfs/dbraw/zinc/06/00/38/564060038.db2.gz PCSKPVWNSQFZJT-UHFFFAOYSA-N 0 0 329.783 4.584 50 0 EJAARN Cc1ccccc1N1C(=O)S[C@H](Nc2ccc(C(C)C)cc2)C1=O ZINC000003647927 564060120 /nfs/dbraw/zinc/06/01/20/564060120.db2.gz XXTHDLNZLMKPAT-KRWDZBQOSA-N 0 0 340.448 4.756 50 0 EJAARN CCCc1ccc(C(=O)COC(=O)c2ccc3ccccc3c2)cc1 ZINC000012589354 564060194 /nfs/dbraw/zinc/06/01/94/564060194.db2.gz OEOHDFLWBXYQKW-UHFFFAOYSA-N 0 0 332.399 4.832 50 0 EJAARN CC(C)OCCSc1nnc(Nc2ccc(C(C)C)cc2)s1 ZINC000012597756 564060300 /nfs/dbraw/zinc/06/03/00/564060300.db2.gz HMJBZUWQTBANAO-UHFFFAOYSA-N 0 0 337.514 4.922 50 0 EJAARN c1[nH]c2ccccc2c1-c1nc2cnccn2c1Nc1ccccc1 ZINC000003896536 564060335 /nfs/dbraw/zinc/06/03/35/564060335.db2.gz URXKJFJUXICTPB-UHFFFAOYSA-N 0 0 325.375 4.621 50 0 EJAARN CC(C)[C@@H](NC(=O)Nc1cccc(Cl)c1)c1nc2ccccc2[nH]1 ZINC000012602341 564060448 /nfs/dbraw/zinc/06/04/48/564060448.db2.gz KVONCAHDUZURBP-MRXNPFEDSA-N 0 0 342.830 4.735 50 0 EJAARN O=C(NC1CCCCCC1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000012602531 564060466 /nfs/dbraw/zinc/06/04/66/564060466.db2.gz QWPUTTSAOUKDGX-UHFFFAOYSA-N 0 0 345.446 4.749 50 0 EJAARN Cc1ccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)c(C)c1 ZINC000012618906 564060688 /nfs/dbraw/zinc/06/06/88/564060688.db2.gz GWEBUHAHROAHJS-UHFFFAOYSA-N 0 0 338.382 4.669 50 0 EJAARN O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccccc1Cl ZINC000012619288 564060697 /nfs/dbraw/zinc/06/06/97/564060697.db2.gz WCGSHPZXOCRESS-UHFFFAOYSA-N 0 0 344.773 4.705 50 0 EJAARN CN(Cc1cscn1)C(=O)N[C@H](c1cccs1)C1CCCCC1 ZINC000534637099 564061368 /nfs/dbraw/zinc/06/13/68/564061368.db2.gz OLQYVVYNCPELPD-INIZCTEOSA-N 0 0 349.525 4.668 50 0 EJAARN Cc1ccc(S(=O)(=O)Nc2ccc(/C=C/c3ccccc3)cc2)cc1 ZINC000001233400 564061747 /nfs/dbraw/zinc/06/17/47/564061747.db2.gz MLWIKUBYNCVNOQ-MDZDMXLPSA-N 0 0 349.455 4.966 50 0 EJAARN O=C(C[C@H](c1cccc2ccccc21)n1cccc1)Nc1nccs1 ZINC000263588302 564061906 /nfs/dbraw/zinc/06/19/06/564061906.db2.gz ROJZPDCJVICDQX-GOSISDBHSA-N 0 0 347.443 4.716 50 0 EJAARN O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)N1CCCCCCC1 ZINC000078413778 564061975 /nfs/dbraw/zinc/06/19/75/564061975.db2.gz ZGMTVOZTTVRRLM-UHFFFAOYSA-N 0 0 344.455 4.916 50 0 EJAARN C[C@@H](NC(=O)/C=C/c1cccc(F)c1)C12CC3CC(CC(C3)C1)C2 ZINC000005445883 564062456 /nfs/dbraw/zinc/06/24/56/564062456.db2.gz BBEUCQBPQDRFQW-JOZRDYHTSA-N 0 0 327.443 4.560 50 0 EJAARN CCCCc1nc2ccccc2n1CC(=O)Nc1c(C)cc(C)cc1C ZINC000012658056 564062513 /nfs/dbraw/zinc/06/25/13/564062513.db2.gz RJWCNNRRSILQOD-UHFFFAOYSA-N 0 0 349.478 4.943 50 0 EJAARN CC[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(OC)cc1 ZINC000012700146 564063422 /nfs/dbraw/zinc/06/34/22/564063422.db2.gz RKGQGMMDHOXIEZ-MRXNPFEDSA-N 0 0 337.341 4.595 50 0 EJAARN CCc1nc(C)c(C(=O)N2CCC[C@@H]2[C@@H](CC)c2ccccc2)s1 ZINC000083830214 564063531 /nfs/dbraw/zinc/06/35/31/564063531.db2.gz QWDCWBFFAQMIDS-DLBZAZTESA-N 0 0 342.508 4.812 50 0 EJAARN Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(C(F)(F)F)c2)c(C)c1 ZINC000012729001 564063879 /nfs/dbraw/zinc/06/38/79/564063879.db2.gz WSALXNWCPARLGZ-CYBMUJFWSA-N 0 0 337.341 4.728 50 0 EJAARN Cc1cc2nccc([C@H](C)Oc3ccc(-c4ccccc4)c(F)c3)n2n1 ZINC000001383638 564064063 /nfs/dbraw/zinc/06/40/63/564064063.db2.gz KMULIFTYIYENHD-HNNXBMFYSA-N 0 0 347.393 4.984 50 0 EJAARN COc1cnc(-c2cccc(C(F)(F)F)c2)nc1Oc1ccccc1 ZINC000001384032 564064145 /nfs/dbraw/zinc/06/41/45/564064145.db2.gz RXZABJLMDVAUSH-UHFFFAOYSA-N 0 0 346.308 4.963 50 0 EJAARN O=Cc1ccc(OC2CCCC2)c(Cc2c(F)cccc2Cl)c1O ZINC000001387027 564064246 /nfs/dbraw/zinc/06/42/46/564064246.db2.gz DNEPNFBGOSGDAY-UHFFFAOYSA-N 0 0 348.801 4.909 50 0 EJAARN COc1cnc(SCc2ccc(Cl)c(Cl)c2)nc1Cl ZINC000001388683 564064302 /nfs/dbraw/zinc/06/43/02/564064302.db2.gz CWGCYJGOFZYJAU-UHFFFAOYSA-N 0 0 335.643 4.738 50 0 EJAARN Cc1nc(-c2ccccc2)sc1C(=O)COc1cccc(C)c1C ZINC000001390120 564064364 /nfs/dbraw/zinc/06/43/64/564064364.db2.gz ALMCHAUQEOVVCQ-UHFFFAOYSA-N 0 0 337.444 4.997 50 0 EJAARN CCOC(=O)c1c(C)n(CC)c(C)c1-c1csc(-c2ccco2)n1 ZINC000012734455 564064400 /nfs/dbraw/zinc/06/44/00/564064400.db2.gz GPBBZUCCFIGWGW-UHFFFAOYSA-N 0 0 344.436 4.685 50 0 EJAARN COc1cc(NC(=O)c2c(F)cccc2F)c(Cl)cc1Cl ZINC000001392298 564064545 /nfs/dbraw/zinc/06/45/45/564064545.db2.gz RHIKOVLRLSSYKP-UHFFFAOYSA-N 0 0 332.133 4.533 50 0 EJAARN Cc1ccc(C)c2sc(NC(=O)c3ccccc3OC(F)F)nc21 ZINC000012736262 564064562 /nfs/dbraw/zinc/06/45/62/564064562.db2.gz PXAQSMCYXUZDKZ-UHFFFAOYSA-N 0 0 348.374 4.767 50 0 EJAARN CNC(=O)c1sccc1SCc1c(Cl)cccc1Cl ZINC000001393210 564064641 /nfs/dbraw/zinc/06/46/41/564064641.db2.gz GJIDJZFFJQXZJF-UHFFFAOYSA-N 0 0 332.277 4.707 50 0 EJAARN Cc1cc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)no1 ZINC000012736277 564064692 /nfs/dbraw/zinc/06/46/92/564064692.db2.gz LEXIQBVGCUQYKE-UHFFFAOYSA-N 0 0 336.269 4.514 50 0 EJAARN Clc1ccc(-n2cc(-c3nc4ccccc4o3)cn2)c(Cl)c1 ZINC000001398342 564064808 /nfs/dbraw/zinc/06/48/08/564064808.db2.gz QUPZJTDJFCMCJA-UHFFFAOYSA-N 0 0 330.174 4.987 50 0 EJAARN CC(C)c1ccc(S[C@@H]2CCS(=O)(=O)c3sccc32)cc1 ZINC000001398519 564064813 /nfs/dbraw/zinc/06/48/13/564064813.db2.gz GFEPPRAVCAUANW-OAHLLOKOSA-N 0 0 338.519 4.882 50 0 EJAARN COc1ccc(NC(=O)c2cc3cc4ccccc4nc3s2)cc1 ZINC000001399189 564064834 /nfs/dbraw/zinc/06/48/34/564064834.db2.gz YVWXPSZWQVEAQS-UHFFFAOYSA-N 0 0 334.400 4.710 50 0 EJAARN Cc1ccc(C(=O)n2cc(-c3ccc(Cl)nn3)c3ccccc32)cc1 ZINC000001396148 564064873 /nfs/dbraw/zinc/06/48/73/564064873.db2.gz YXZFFKACINLGAD-UHFFFAOYSA-N 0 0 347.805 4.749 50 0 aggregator EJAARN Cc1ccc(-c2nc3ncccc3n2OCc2ccccc2Cl)cc1 ZINC000001400193 564064953 /nfs/dbraw/zinc/06/49/53/564064953.db2.gz KNQHCDBNSOUKLO-UHFFFAOYSA-N 0 0 349.821 4.689 50 0 EJAARN FC(F)(F)c1cccc(CNc2nnc(-c3ccccc3)s2)c1 ZINC000012739699 564064967 /nfs/dbraw/zinc/06/49/67/564064967.db2.gz AOTNAGMVWMLSPL-UHFFFAOYSA-N 0 0 335.354 4.836 50 0 EJAARN O=C1c2ccsc2SCCN1Cc1ccc(Cl)cc1Cl ZINC000001402074 564065028 /nfs/dbraw/zinc/06/50/28/564065028.db2.gz SEOPOSSXKAUCKH-UHFFFAOYSA-N 0 0 344.288 4.803 50 0 EJAARN O=C(c1ccccc1SCc1ccccc1)N1CCCCCC1 ZINC000000472090 564065354 /nfs/dbraw/zinc/06/53/54/564065354.db2.gz NYXGPMFHWGJCAX-UHFFFAOYSA-N 0 0 325.477 4.995 50 0 EJAARN O=C(COC(=O)c1ccccc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000000572091 564065479 /nfs/dbraw/zinc/06/54/79/564065479.db2.gz YRRBTQQCYGGWER-UHFFFAOYSA-N 0 0 343.593 4.687 50 0 EJAARN c1ccc2c(c1)nc(-c1cccnc1)nc2N1CC[C@@H]2CCCC[C@H]2C1 ZINC000012747817 564065942 /nfs/dbraw/zinc/06/59/42/564065942.db2.gz OMPIEIUHJRIKOH-WMZOPIPTSA-N 0 0 344.462 4.708 50 0 EJAARN Cc1nc(COC(=O)c2cc(C(C)C)cc(C(C)C)c2O)oc1C ZINC000084061506 564066032 /nfs/dbraw/zinc/06/60/32/564066032.db2.gz LBZRQZMTFPKCFH-UHFFFAOYSA-N 0 0 331.412 4.601 50 0 EJAARN Cc1cccc(NC(=O)c2cccc(OCc3cscn3)c2)c1C ZINC000012754948 564067226 /nfs/dbraw/zinc/06/72/26/564067226.db2.gz FAGNPMBRXOHZOI-UHFFFAOYSA-N 0 0 338.432 4.591 50 0 EJAARN O=C(Nc1ccccc1Oc1ccccc1)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000012758747 564067281 /nfs/dbraw/zinc/06/72/81/564067281.db2.gz LRAFBBLZVUIFMN-SJPCQFCGSA-N 0 0 349.430 4.813 50 0 EJAARN CC(=O)c1cccc(NC(=O)c2ccc(-c3ccccc3)nc2C)c1 ZINC000012762063 564067798 /nfs/dbraw/zinc/06/77/98/564067798.db2.gz SYBPCIGUWPAKGT-UHFFFAOYSA-N 0 0 330.387 4.512 50 0 EJAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccc(F)cc1C ZINC000012763937 564067886 /nfs/dbraw/zinc/06/78/86/564067886.db2.gz PIHBKBHPZUGTAB-UHFFFAOYSA-N 0 0 348.443 4.741 50 0 EJAARN Fc1ccc2[nH]c(-c3ccc(-n4ccc(C(F)(F)F)n4)cc3)nc2c1 ZINC000084419331 564068085 /nfs/dbraw/zinc/06/80/85/564068085.db2.gz NUPDDUPXBVGHDF-UHFFFAOYSA-N 0 0 346.287 4.574 50 0 EJAARN Clc1ccc(SCc2csc(C3CCCCC3)n2)nn1 ZINC000084429267 564068138 /nfs/dbraw/zinc/06/81/38/564068138.db2.gz GIHIFCCEYJYIHI-UHFFFAOYSA-N 0 0 325.890 4.927 50 0 EJAARN CCc1nc(CN2CCc3sccc3[C@@H]2c2ccccc2)cs1 ZINC000012768409 564068364 /nfs/dbraw/zinc/06/83/64/564068364.db2.gz PJNSFWPERYFAGA-IBGZPJMESA-N 0 0 340.517 4.915 50 0 EJAARN COc1ccc(-c2ccc(CCC(=O)N[C@@H](C)c3ccccc3)o2)cc1 ZINC000012768394 564068371 /nfs/dbraw/zinc/06/83/71/564068371.db2.gz QMRJWEJBVOELBH-INIZCTEOSA-N 0 0 349.430 4.765 50 0 EJAARN O=C(NCC(c1ccccc1)c1ccccc1)c1ccc2cc[nH]c2c1 ZINC000084522501 564068467 /nfs/dbraw/zinc/06/84/67/564068467.db2.gz FXLSPFNBTJMZIW-UHFFFAOYSA-N 0 0 340.426 4.730 50 0 EJAARN Cc1cccc(Cc2cnc(NC(=O)c3ccoc3)s2)c1Cl ZINC000012770194 564068617 /nfs/dbraw/zinc/06/86/17/564068617.db2.gz OJHZZGJZWFGRON-UHFFFAOYSA-N 0 0 332.812 4.541 50 0 EJAARN O=C(Nc1cnn(-c2ccccc2)c1)c1sccc1-c1ccccc1 ZINC000084562925 564068704 /nfs/dbraw/zinc/06/87/04/564068704.db2.gz XSCZWIBWFSWSDJ-UHFFFAOYSA-N 0 0 345.427 4.853 50 0 EJAARN O=C(N[C@@H]1CCSc2ccc(F)cc21)[C@@H]1CCCc2ccccc21 ZINC000084581899 564068830 /nfs/dbraw/zinc/06/88/30/564068830.db2.gz NEBNEJMPSSGBDS-SJLPKXTDSA-N 0 0 341.451 4.599 50 0 EJAARN C[C@@H](c1ccc2ccccc2c1)N(Cc1ncc(Cl)n1C)C1CC1 ZINC000084651806 564069411 /nfs/dbraw/zinc/06/94/11/564069411.db2.gz YJAWTYOLPAUZHM-AWEZNQCLSA-N 0 0 339.870 4.952 50 0 EJAARN C[C@@H]1C[C@H]1c1ccc(CN(C)Cc2coc(-c3cccc(F)c3)n2)o1 ZINC000084688947 564069635 /nfs/dbraw/zinc/06/96/35/564069635.db2.gz LCNSCOUFSKTQAA-FZKQIMNGSA-N 0 0 340.398 4.829 50 0 EJAARN C[C@H](NC(=O)Cc1ccc2ccccc2c1)c1ccc(F)cc1F ZINC000012779726 564069782 /nfs/dbraw/zinc/06/97/82/564069782.db2.gz ZVCLNWHYYXEPCS-ZDUSSCGKSA-N 0 0 325.358 4.538 50 0 EJAARN CCC[C@@H](C)C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000084740076 564069984 /nfs/dbraw/zinc/06/99/84/564069984.db2.gz YSKNAWICIPWTSH-QHGUSXPKSA-N 0 0 333.475 4.836 50 0 EJAARN Fc1ccc([C@@H](NCc2ncc(C3CC3)o2)C(F)(F)F)cc1Cl ZINC000277802299 564070261 /nfs/dbraw/zinc/07/02/61/564070261.db2.gz OPRPQCFPIALDQA-CQSZACIVSA-N 0 0 348.727 4.738 50 0 EJAARN Fc1cccc(CSc2nc3cccnc3n2Cc2ccccc2)c1 ZINC000015679833 564070718 /nfs/dbraw/zinc/07/07/18/564070718.db2.gz JVHVUJOVRSKADN-UHFFFAOYSA-N 0 0 349.434 4.911 50 0 EJAARN Cc1cc(C)c(NC(=O)c2ccc(Cl)cc2C(F)(F)F)c(C)n1 ZINC000184952297 564070758 /nfs/dbraw/zinc/07/07/58/564070758.db2.gz AHQXHXISQUNUOJ-UHFFFAOYSA-N 0 0 342.748 4.931 50 0 EJAARN Cc1cc(CN[C@@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)on1 ZINC000184949903 564070787 /nfs/dbraw/zinc/07/07/87/564070787.db2.gz IJESCCQRVNGLED-NSHDSACASA-N 0 0 347.871 4.919 50 0 EJAARN CC[C@H](C)[C@H](C(=O)Nc1cc(OC)c(OC)cc1C)c1ccccc1 ZINC000012808898 564072580 /nfs/dbraw/zinc/07/25/80/564072580.db2.gz QMHROLAQNAHCLC-XOBRGWDASA-N 0 0 341.451 4.781 50 0 EJAARN O=C(c1ccccc1Cl)N1CCC(CSCc2ccco2)CC1 ZINC000085472405 564073419 /nfs/dbraw/zinc/07/34/19/564073419.db2.gz QXPNMZOPWHMVLJ-UHFFFAOYSA-N 0 0 349.883 4.719 50 0 EJAARN Cc1ccc(CC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1C ZINC000006085885 564073756 /nfs/dbraw/zinc/07/37/56/564073756.db2.gz ILVOPEPIFPTHME-VXRQLKRISA-N 0 0 325.496 4.567 50 0 EJAARN Cc1oc(-c2ccccc2C)nc1CNC(=O)Nc1cccc(C)c1 ZINC000015774680 564073811 /nfs/dbraw/zinc/07/38/11/564073811.db2.gz SXTNSKIUCPNYIV-UHFFFAOYSA-N 0 0 335.407 4.589 50 0 EJAARN CCc1ccccc1NC(=O)NCc1nc(-c2ccccc2C)oc1C ZINC000015774761 564073826 /nfs/dbraw/zinc/07/38/26/564073826.db2.gz QECVTYNSGAHUFN-UHFFFAOYSA-N 0 0 349.434 4.843 50 0 EJAARN Cc1oc(-c2ccccc2)nc1CNC(=O)Nc1ccc(C)c(C)c1 ZINC000015774562 564073834 /nfs/dbraw/zinc/07/38/34/564073834.db2.gz XQELIGHIWBENLK-UHFFFAOYSA-N 0 0 335.407 4.589 50 0 EJAARN Cc1ccc2cccc(OCCOc3ccc(Cl)c(C)c3)c2n1 ZINC000013285142 564073837 /nfs/dbraw/zinc/07/38/37/564073837.db2.gz DMWKNRLELIZRPJ-UHFFFAOYSA-N 0 0 327.811 4.963 50 0 EJAARN Cc1oc(-c2ccc(C)cc2)nc1CNC(=O)Nc1cccc(C)c1 ZINC000015774623 564073838 /nfs/dbraw/zinc/07/38/38/564073838.db2.gz ZYSGUQKRFJEHSS-UHFFFAOYSA-N 0 0 335.407 4.589 50 0 EJAARN Cc1cc(Cl)ccc1OCc1nnc(-c2ccccc2Cl)o1 ZINC000001479748 564073978 /nfs/dbraw/zinc/07/39/78/564073978.db2.gz YXMOPORSELZQHX-UHFFFAOYSA-N 0 0 335.190 4.931 50 0 EJAARN CC(C)[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3cccs3)=NN21 ZINC000013616606 564074335 /nfs/dbraw/zinc/07/43/35/564074335.db2.gz DTKVSVBSSIOTDD-RHSMWYFYSA-N 0 0 332.856 4.927 50 0 EJAARN COc1ccc(CSc2ncnc3sc4c(c32)CCC4)cc1F ZINC000006112540 564074363 /nfs/dbraw/zinc/07/43/63/564074363.db2.gz JFNQRZRTIHJOND-UHFFFAOYSA-N 0 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QMSQKGBLGDTYJD-UHFFFAOYSA-N 0 0 341.764 4.533 50 0 EJAARN COc1ccc(C)cc1N(C)C(=S)Nc1ccc2ccccc2c1 ZINC000000399700 564075966 /nfs/dbraw/zinc/07/59/66/564075966.db2.gz IZOQQRSXFDZTSD-UHFFFAOYSA-N 0 0 336.460 4.990 50 0 EJAARN O=C(c1cc(F)c(F)cc1Cl)N1CCC[C@H]1c1cccs1 ZINC000015835805 564076354 /nfs/dbraw/zinc/07/63/54/564076354.db2.gz DAZSULWGMFNGPF-ZDUSSCGKSA-N 0 0 327.783 4.657 50 0 EJAARN COc1cccc2c1CC[C@@H]1[C@@H]2CC[C@@H]2C[C@H](OC(C)=O)CC[C@@]21C ZINC000257357393 564076536 /nfs/dbraw/zinc/07/65/36/564076536.db2.gz NTOWCXZNUSRHKI-NGWXBRGBSA-N 0 0 342.479 4.873 50 0 EJAARN COc1cccc2c1CC[C@@H]1[C@@H]2CC[C@@H]2C[C@H](OC(C)=O)CC[C@]21C ZINC000257357394 564076542 /nfs/dbraw/zinc/07/65/42/564076542.db2.gz NTOWCXZNUSRHKI-XSRHDBCCSA-N 0 0 342.479 4.873 50 0 EJAARN S=C1O[C@]2(C[C@@H]3CC[C@@H]4CC[C@@H]2[C@H]43)[C@@]2(C[C@@H]3CC[C@@H]4CC[C@@H]2[C@@H]43)O1 ZINC000257357065 564076577 /nfs/dbraw/zinc/07/65/77/564076577.db2.gz LVXICQLAEIUOJT-HELHMXPXSA-N 0 0 344.520 4.708 50 0 EJAARN O=C(CC1CCCC1)Nc1ccccc1CCc1nc2ccccc2[nH]1 ZINC000015863732 564077107 /nfs/dbraw/zinc/07/71/07/564077107.db2.gz DCFPWDILOIVYFB-UHFFFAOYSA-N 0 0 347.462 4.867 50 0 EJAARN O=C(Nc1ccc2[nH]c(CCc3ccccc3)nc2c1)C1CCCCC1 ZINC000015863865 564077126 /nfs/dbraw/zinc/07/71/26/564077126.db2.gz UUDXODYIYKGAQE-UHFFFAOYSA-N 0 0 347.462 4.867 50 0 EJAARN Cc1ccc(-c2ccc(CCC(=O)NCCc3ccccc3)o2)cc1 ZINC000015867427 564077202 /nfs/dbraw/zinc/07/72/02/564077202.db2.gz KTQGNMHEFPJVLC-UHFFFAOYSA-N 0 0 333.431 4.547 50 0 biogenic EJAARN CCc1nc2c3ccccc3oc2c(Oc2ccc(C(C)=O)cc2)n1 ZINC000015866556 564077205 /nfs/dbraw/zinc/07/72/05/564077205.db2.gz JPKSCYODBWLSFO-UHFFFAOYSA-N 0 0 332.359 4.933 50 0 EJAARN CCN(C(=O)Cc1cccc(F)c1)c1nc2cc(Cl)ccc2s1 ZINC000012882281 564077419 /nfs/dbraw/zinc/07/74/19/564077419.db2.gz SFHUMPNXVCXSJT-UHFFFAOYSA-N 0 0 348.830 4.684 50 0 EJAARN Cc1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1C ZINC000012887016 564077485 /nfs/dbraw/zinc/07/74/85/564077485.db2.gz DTDZBCHTQOZLQM-UHFFFAOYSA-N 0 0 348.450 4.759 50 0 EJAARN CCN(C(=O)c1ccc(C)cc1)c1nc2cc(Cl)ccc2s1 ZINC000012919642 564078203 /nfs/dbraw/zinc/07/82/03/564078203.db2.gz BXBVAVSBNVXRQX-UHFFFAOYSA-N 0 0 330.840 4.925 50 0 EJAARN O=C(c1cccc(C(F)(F)F)c1)N1CCCSc2ccccc21 ZINC000012934041 564079133 /nfs/dbraw/zinc/07/91/33/564079133.db2.gz LSUFTSPXPYLNTL-UHFFFAOYSA-N 0 0 337.366 4.848 50 0 EJAARN C[C@@H](NC(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccccc1 ZINC000016023888 564079135 /nfs/dbraw/zinc/07/91/35/564079135.db2.gz GKZBMLOEEBZMKS-CYBMUJFWSA-N 0 0 335.428 4.799 50 0 EJAARN CC(C)[C@@H](C(=O)Nc1nc(-c2cccs2)cs1)n1cccc1 ZINC000575442990 564079425 /nfs/dbraw/zinc/07/94/25/564079425.db2.gz AOYJTHLVYBAONY-AWEZNQCLSA-N 0 0 331.466 4.509 50 0 EJAARN O=C(N[C@@H]1CCc2ccccc21)C(c1ccccc1)c1ccccc1 ZINC000012946467 564079716 /nfs/dbraw/zinc/07/97/16/564079716.db2.gz HLFJZROTZBJVDW-OAQYLSRUSA-N 0 0 327.427 4.622 50 0 EJAARN COc1ccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000012949479 564079809 /nfs/dbraw/zinc/07/98/09/564079809.db2.gz PAUPFFSEDFCNGO-KRWDZBQOSA-N 0 0 330.815 4.718 50 0 EJAARN Cc1csc([C@H](OC(=O)c2ccc(Cl)s2)C(F)(F)F)n1 ZINC000075105600 564080074 /nfs/dbraw/zinc/08/00/74/564080074.db2.gz FLWVKANXMGYVCF-QMMMGPOBSA-N 0 0 341.763 4.627 50 0 EJAARN Cc1sc(CCNc2cc(Cl)nc(C)n2)nc1-c1ccccc1 ZINC000075109743 564080314 /nfs/dbraw/zinc/08/03/14/564080314.db2.gz WLRVFNSSSUZCTO-UHFFFAOYSA-N 0 0 344.871 4.525 50 0 EJAARN O=C(c1ccc(C(F)(F)F)cc1)N(CCc1cccs1)C1CC1 ZINC000075154801 564080822 /nfs/dbraw/zinc/08/08/22/564080822.db2.gz VCJWSIRFMULJHY-UHFFFAOYSA-N 0 0 339.382 4.614 50 0 EJAARN Cc1ccccc1C1(c2ccccc2C)C[C@@H]1C(=O)NCc1ccco1 ZINC000075260765 564081321 /nfs/dbraw/zinc/08/13/21/564081321.db2.gz QBLNZPOYLZBZJP-OAQYLSRUSA-N 0 0 345.442 4.519 50 0 EJAARN O=C(Nc1nc2ccc3ccccc3c2s1)c1ccc(F)c(F)c1 ZINC000075278709 564081407 /nfs/dbraw/zinc/08/14/07/564081407.db2.gz CPEQJQVYDVSJMB-UHFFFAOYSA-N 0 0 340.354 4.980 50 0 EJAARN CC1=C(c2ccccc2)C(=O)N(c2ccccc2)[C@H](c2ccco2)O1 ZINC000075286440 564081574 /nfs/dbraw/zinc/08/15/74/564081574.db2.gz MSYFASZWEMYEBN-NRFANRHFSA-N 0 0 331.371 4.773 50 0 EJAARN CCCc1cc2c(cc1NC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C)OCO2 ZINC000001670457 564082183 /nfs/dbraw/zinc/08/21/83/564082183.db2.gz QPHJVFKCXRFWFY-KSSFIOAISA-N 0 0 329.440 4.545 50 0 in-vitro EJAARN O=C(NCc1ccc(-c2ccsc2)o1)Nc1c(F)cccc1F ZINC000575609837 564082567 /nfs/dbraw/zinc/08/25/67/564082567.db2.gz IADRPKARYDRHHU-UHFFFAOYSA-N 0 0 334.347 4.608 50 0 EJAARN CC(=O)[C@H](Sc1nc(C)cc(-c2ccccc2)n1)c1ccccc1 ZINC000006203214 564082722 /nfs/dbraw/zinc/08/27/22/564082722.db2.gz QMKFKEPRPGTJGR-IBGZPJMESA-N 0 0 334.444 4.874 50 0 EJAARN Cc1ccc(CSc2nnc(-c3cc4ccccc4o3)n2C)cc1 ZINC000006204567 564082801 /nfs/dbraw/zinc/08/28/01/564082801.db2.gz DGNOENVGHOFURT-UHFFFAOYSA-N 0 0 335.432 4.829 50 0 EJAARN O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1ccccc1Cl ZINC000006226952 564083096 /nfs/dbraw/zinc/08/30/96/564083096.db2.gz MMHTZECDIULQAP-UHFFFAOYSA-N 0 0 338.838 4.630 50 0 EJAARN COc1ccc2c(c1)CN(C(=S)Nc1ccc3ccccc3c1)CC2 ZINC000063909431 564083102 /nfs/dbraw/zinc/08/31/02/564083102.db2.gz SHKVKIVBLRYKOY-UHFFFAOYSA-N 0 0 348.471 4.604 50 0 EJAARN O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc2ccccc2c1 ZINC000006231855 564083107 /nfs/dbraw/zinc/08/31/07/564083107.db2.gz CECSEHPVWGADRW-UHFFFAOYSA-N 0 0 345.320 4.876 50 0 EJAARN O=C(Oc1ccc(Br)cc1F)c1ccc2ccccc2c1 ZINC000006260465 564083359 /nfs/dbraw/zinc/08/33/59/564083359.db2.gz NLEXVELBJQUXDL-UHFFFAOYSA-N 0 0 345.167 4.961 50 0 EJAARN CCOc1ccc2nc(NC(=O)C[C@H](C)c3ccccc3)sc2c1 ZINC000006270930 564083424 /nfs/dbraw/zinc/08/34/24/564083424.db2.gz XOJQLESWPARLEP-ZDUSSCGKSA-N 0 0 340.448 4.827 50 0 EJAARN C[C@H](NC(=O)Cc1ccccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000006286464 564083589 /nfs/dbraw/zinc/08/35/89/564083589.db2.gz QUJXTUYJAJKBCT-IVKJLDKCSA-N 0 0 331.887 4.604 50 0 EJAARN C/C=C/c1cc2c(c(OC)c1)O[C@@H](c1ccc(O)c(OC)c1)[C@H]2C ZINC000017142011 564084495 /nfs/dbraw/zinc/08/44/95/564084495.db2.gz ITDOFWOJEDZPCF-PDCNXBEUSA-N 0 0 326.392 4.680 50 0 EJAARN CCc1cccc(C)c1NC(=O)c1cnc(-c2ccccc2)nc1C ZINC000075437334 564084741 /nfs/dbraw/zinc/08/47/41/564084741.db2.gz UUEGISZHBKTICC-UHFFFAOYSA-N 0 0 331.419 4.575 50 0 EJAARN Cc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2C)c(Cl)c1 ZINC000075437311 564084760 /nfs/dbraw/zinc/08/47/60/564084760.db2.gz IBEFQCZQHSWSQB-UHFFFAOYSA-N 0 0 337.810 4.666 50 0 EJAARN Cc1cc(Cl)ccc1NC(=O)c1cnc(-c2ccccc2)nc1C ZINC000075437263 564084764 /nfs/dbraw/zinc/08/47/64/564084764.db2.gz OMQAZEGAFQSSEF-UHFFFAOYSA-N 0 0 337.810 4.666 50 0 EJAARN C[C@@H](SCCC(=O)NCc1ccccc1Cl)c1ccccc1 ZINC000012979109 564084974 /nfs/dbraw/zinc/08/49/74/564084974.db2.gz NMBWXPZAECEESY-CQSZACIVSA-N 0 0 333.884 4.841 50 0 EJAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(C(C)C)cc1 ZINC000012978826 564084980 /nfs/dbraw/zinc/08/49/80/564084980.db2.gz LONTZQYZAGIQQP-OAQYLSRUSA-N 0 0 348.446 4.713 50 0 EJAARN O=C(/C=C/c1ccsc1)N(CCc1cccs1)Cc1ccoc1 ZINC000090612372 564084993 /nfs/dbraw/zinc/08/49/93/564084993.db2.gz GERRQJBJEVJKOW-ONEGZZNKSA-N 0 0 343.473 4.687 50 0 EJAARN CCc1ccc(C(=O)N(Cc2ccoc2)Cc2cccs2)cc1 ZINC000090612079 564085067 /nfs/dbraw/zinc/08/50/67/564085067.db2.gz MBJYFCKVXCVVFE-UHFFFAOYSA-N 0 0 325.433 4.746 50 0 EJAARN Cc1nn(-c2ccccn2)c2nc(C)cc(-c3ccc(Cl)cc3)c12 ZINC000006330407 564085165 /nfs/dbraw/zinc/08/51/65/564085165.db2.gz QOXAHCIYPDGBGM-UHFFFAOYSA-N 0 0 334.810 4.753 50 0 EJAARN Cn1ccnc1S[C@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1 ZINC000006369306 564085387 /nfs/dbraw/zinc/08/53/87/564085387.db2.gz NPJFZEDBYHTIHG-IBGZPJMESA-N 0 0 347.443 4.618 50 0 EJAARN Cc1cc(C)c(OCC(=O)Nc2ccc(C(F)(F)F)cc2)c(C)c1 ZINC000006392114 564085495 /nfs/dbraw/zinc/08/54/95/564085495.db2.gz NYPPLVOXRYSYNW-UHFFFAOYSA-N 0 0 337.341 4.648 50 0 EJAARN Cc1ccc(-c2noc(CCC(=O)Nc3ccc(C(C)C)cc3)n2)cc1 ZINC000018944537 564085684 /nfs/dbraw/zinc/08/56/84/564085684.db2.gz TZTKDQDYOIRTQL-UHFFFAOYSA-N 0 0 349.434 4.740 50 0 EJAARN CCCc1nc2cc(CCC(=O)Nc3ccc(F)c(C)c3)ccc2[nH]1 ZINC000075465701 564085998 /nfs/dbraw/zinc/08/59/98/564085998.db2.gz YJPLNSZETVIMJU-UHFFFAOYSA-N 0 0 339.414 4.534 50 0 EJAARN COc1cc2cccnc2c(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000044449279 564086028 /nfs/dbraw/zinc/08/60/28/564086028.db2.gz NUWNIWYRAIFEHI-UHFFFAOYSA-N 0 0 347.201 4.803 50 0 EJAARN COc1ccc(NC(=O)c2nc(-c3ccco3)sc2C)cc1Cl ZINC000013003142 564086330 /nfs/dbraw/zinc/08/63/30/564086330.db2.gz PLAMPKBKJYJTLT-UHFFFAOYSA-N 0 0 348.811 4.626 50 0 EJAARN CCOc1cc2c(cc1NC(=O)C[C@H](C)c1ccccc1)O[C@@H](C)C2 ZINC000013002460 564086344 /nfs/dbraw/zinc/08/63/44/564086344.db2.gz OLZUBEUCGXMDNV-GJZGRUSLSA-N 0 0 339.435 4.541 50 0 EJAARN C[C@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccc(Cl)cc1 ZINC000013004855 564086389 /nfs/dbraw/zinc/08/63/89/564086389.db2.gz YFDMSILCBJNXEP-ZDUSSCGKSA-N 0 0 326.827 4.631 50 0 EJAARN Cc1cc(F)ccc1NC(=O)CCc1ccc2[nH]c(C(C)C)nc2c1 ZINC000075478754 564086604 /nfs/dbraw/zinc/08/66/04/564086604.db2.gz FVKRSMOBAGENGL-UHFFFAOYSA-N 0 0 339.414 4.705 50 0 EJAARN CCCc1noc([C@H](C)Sc2nc(C3CC3)nc3ccccc32)n1 ZINC000013013603 564086823 /nfs/dbraw/zinc/08/68/23/564086823.db2.gz XBEUEFUSIKPDFH-NSHDSACASA-N 0 0 340.452 4.696 50 0 EJAARN CCN(CC)c1ccc(NC(=O)CCCOc2cccc(C)c2)cc1 ZINC000001773817 564087480 /nfs/dbraw/zinc/08/74/80/564087480.db2.gz KUFVMVTZVVGGHY-UHFFFAOYSA-N 0 0 340.467 4.639 50 0 EJAARN CCCCOC(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000001782742 564087607 /nfs/dbraw/zinc/08/76/07/564087607.db2.gz CNZIJVNUODGEPI-UHFFFAOYSA-N 0 0 331.799 4.549 50 0 EJAARN O=C(N[C@@H]1CCc2ccccc21)c1sc2ccccc2c1Cl ZINC000016471724 564087694 /nfs/dbraw/zinc/08/76/94/564087694.db2.gz TXZDCTTWWYVOGV-CQSZACIVSA-N 0 0 327.836 4.972 50 0 EJAARN CCc1cccc2c(C(=O)OC)cc(-c3ccc(Cl)cc3)nc12 ZINC000006451146 564087755 /nfs/dbraw/zinc/08/77/55/564087755.db2.gz HGCTVKOUDJVVAX-UHFFFAOYSA-N 0 0 325.795 4.904 50 0 EJAARN CC(C)c1noc([C@H](C)N2Cc3ccccc3[C@@H](c3ccccc3)C2)n1 ZINC000058563648 564087883 /nfs/dbraw/zinc/08/78/83/564087883.db2.gz NRRWEHNEJWEKSD-OXJNMPFZSA-N 0 0 347.462 4.902 50 0 EJAARN C[C@@H](C(=O)Nc1ccccc1Cl)N1CCC[C@H]1c1ccsc1 ZINC000239591367 564088203 /nfs/dbraw/zinc/08/82/03/564088203.db2.gz BBCTWGHZQXJGKP-LRDDRELGSA-N 0 0 334.872 4.566 50 0 EJAARN C[C@@H]1C[C@@H]1c1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)o1 ZINC000239667376 564088209 /nfs/dbraw/zinc/08/82/09/564088209.db2.gz BPTPWNQCCVWLBB-PSGMQZRDSA-N 0 0 348.402 4.763 50 0 EJAARN CC(=O)N1c2cc(C)cc(C)c2[C@@H]2OCC[C@H]2[C@H]1c1cccs1 ZINC000244734928 564088570 /nfs/dbraw/zinc/08/85/70/564088570.db2.gz NOCGPOGIVZUDDQ-ZOCIIQOWSA-N 0 0 327.449 4.550 50 0 EJAARN Cc1ccc(NC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 ZINC000001814116 564088693 /nfs/dbraw/zinc/08/86/93/564088693.db2.gz IXHYGIGHTKVHLH-UHFFFAOYSA-N 0 0 344.827 4.811 50 0 EJAARN CCCOc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(OC)c2)cc1 ZINC000001836590 564088786 /nfs/dbraw/zinc/08/87/86/564088786.db2.gz MPXUGMFSZRWFHW-UHFFFAOYSA-N 0 0 338.403 4.874 50 0 EJAARN CC(C)c1ocnc1C[S@](=O)Cc1cc(Cl)ccc1Cl ZINC000092251965 564088913 /nfs/dbraw/zinc/08/89/13/564088913.db2.gz XPAWEVUILFJGRX-FQEVSTJZSA-N 0 0 332.252 4.554 50 0 EJAARN C[C@H](N[C@@H](C[C@H]1CCOC1)c1ccccc1)c1ncc(C(C)(C)C)o1 ZINC000248795617 564089310 /nfs/dbraw/zinc/08/93/10/564089310.db2.gz YUAZECNHUZQIIG-JZXOWHBKSA-N 0 0 342.483 4.791 50 0 EJAARN CCn1c2ccccc2c(C)c1-c1cc(NC(=O)CCC(C)C)n[nH]1 ZINC000075558776 564089519 /nfs/dbraw/zinc/08/95/19/564089519.db2.gz AAZICGGALCQZNV-UHFFFAOYSA-N 0 0 338.455 4.734 50 0 EJAARN Cc1ccc(CCn2c3ccc(F)cc3c3c2CCCN(C)C3)cc1 ZINC000075567554 564089568 /nfs/dbraw/zinc/08/95/68/564089568.db2.gz DEBHAOUYMUTPCX-UHFFFAOYSA-N 0 0 336.454 4.710 50 0 EJAARN C[C@@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1)C(C)(C)C ZINC000075610654 564089830 /nfs/dbraw/zinc/08/98/30/564089830.db2.gz UHNVQZMWGJQHOR-GFCCVEGCSA-N 0 0 345.468 4.557 50 0 EJAARN Cc1ccc(-c2csc(NC(=O)/C=C/c3ccc(F)cc3)n2)cc1 ZINC000001930520 564090277 /nfs/dbraw/zinc/09/02/77/564090277.db2.gz XMSDQUGZQNEGFN-IZZDOVSWSA-N 0 0 338.407 4.910 50 0 EJAARN Cc1ncsc1C(C)N=Nc1nc(Cl)c(Cl)cc1Cl ZINC000252517222 564090306 /nfs/dbraw/zinc/09/03/06/564090306.db2.gz CDRIRLUETKLBKQ-UHFFFAOYSA-N 0 0 335.647 4.643 50 0 EJAARN CCc1cc(=O)oc2cc(OCc3cccc(OC)c3)c(Cl)cc12 ZINC000000302396 564090498 /nfs/dbraw/zinc/09/04/98/564090498.db2.gz ITARQDQNUBEPLJ-UHFFFAOYSA-N 0 0 344.794 4.596 50 0 biogenic EJAARN CCCc1cc(=O)oc2cc(C)cc(OCc3cccc(OC)c3)c12 ZINC000000488976 564090563 /nfs/dbraw/zinc/09/05/63/564090563.db2.gz MMRDKRQKMLLAHM-UHFFFAOYSA-N 0 0 338.403 4.642 50 0 biogenic EJAARN C[C@H](NC(=O)c1ccc(F)cc1F)c1ccc(Cl)cc1Cl ZINC000006507521 564091161 /nfs/dbraw/zinc/09/11/61/564091161.db2.gz YMNNQBUMHMASMK-QMMMGPOBSA-N 0 0 330.161 4.763 50 0 EJAARN CCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1cc(C)cc(C)c1 ZINC000064438945 564091339 /nfs/dbraw/zinc/09/13/39/564091339.db2.gz PBDDAVISYONDCI-UHFFFAOYSA-N 0 0 349.434 4.514 50 0 EJAARN Cc1cc2nc(OC(C)C)c(C(=O)Nc3ccccc3C)nc2cc1C ZINC000064439038 564091357 /nfs/dbraw/zinc/09/13/57/564091357.db2.gz HTAFWFQMSGOILT-UHFFFAOYSA-N 0 0 349.434 4.595 50 0 EJAARN COc1ccc(-c2cncc(C(=O)Nc3cccc(Cl)c3)c2)cc1 ZINC000064473421 564091615 /nfs/dbraw/zinc/09/16/15/564091615.db2.gz BNSYVGKTHMGBJV-UHFFFAOYSA-N 0 0 338.794 4.663 50 0 EJAARN Cc1ccc([C@@H]2C[C@H]2C2N=NC(=S)N2c2cccc(Cl)c2)cc1 ZINC000006533836 564091674 /nfs/dbraw/zinc/09/16/74/564091674.db2.gz XOELQQAHXNBRBG-JKSUJKDBSA-N 0 0 341.867 4.789 50 0 EJAARN CCCc1ccc(-c2csc(NC(=O)c3ccoc3C)n2)cc1 ZINC000006548379 564091875 /nfs/dbraw/zinc/09/18/75/564091875.db2.gz QSRFCWXQEBKLJV-UHFFFAOYSA-N 0 0 326.421 4.916 50 0 EJAARN c1sc2ncnc(SC[C@@H]3CCCO3)c2c1-c1ccccc1 ZINC000006543225 564091883 /nfs/dbraw/zinc/09/18/83/564091883.db2.gz KLVDSDNOCVIGEJ-ZDUSSCGKSA-N 0 0 328.462 4.629 50 0 EJAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(COc2ccccc2)o1 ZINC000006553695 564091985 /nfs/dbraw/zinc/09/19/85/564091985.db2.gz HAWFVXJMFXWLSK-HXUWFJFHSA-N 0 0 347.414 4.666 50 0 EJAARN CC[C@@H](C)c1ccc(C(=O)COc2ccc(-c3nnco3)cc2)cc1 ZINC000006561135 564092144 /nfs/dbraw/zinc/09/21/44/564092144.db2.gz NKRBOHWYNCGMBG-CQSZACIVSA-N 0 0 336.391 4.512 50 0 EJAARN CCC(=O)Nc1ccc(-c2csc(Cc3csc(C)n3)n2)cc1 ZINC000026981857 564092199 /nfs/dbraw/zinc/09/21/99/564092199.db2.gz IFZKKYJDHHHDEA-UHFFFAOYSA-N 0 0 343.477 4.514 50 0 EJAARN O=C(c1cc(-c2ccco2)nc2ccccc21)N1CCc2ccccc21 ZINC000006580626 564092217 /nfs/dbraw/zinc/09/22/17/564092217.db2.gz GSQNPAKXMRSXCF-UHFFFAOYSA-N 0 0 340.382 4.698 50 0 EJAARN CCCOc1ccc(-c2csc(NC(=O)c3ccoc3C)n2)cc1 ZINC000006580773 564092252 /nfs/dbraw/zinc/09/22/52/564092252.db2.gz HAUGVXGPNSXNBS-UHFFFAOYSA-N 0 0 342.420 4.753 50 0 EJAARN Cc1ccc(NC(=O)CSc2cccc3cccc(Cl)c32)nc1 ZINC000006590428 564092456 /nfs/dbraw/zinc/09/24/56/564092456.db2.gz AGBCRUKLPNCPGA-UHFFFAOYSA-N 0 0 342.851 4.927 50 0 EJAARN COc1ccc(-c2csc3c2NC(=O)C[C@H]3c2ccccc2)cc1 ZINC000064604470 564093022 /nfs/dbraw/zinc/09/30/22/564093022.db2.gz PXMSOTBYANWLJG-INIZCTEOSA-N 0 0 335.428 4.898 50 0 EJAARN COc1ccccc1[C@H](C)NC(=O)c1ccc(-c2ccccc2F)o1 ZINC000006607951 564093232 /nfs/dbraw/zinc/09/32/32/564093232.db2.gz HPUZAPHQWZFOGT-ZDUSSCGKSA-N 0 0 339.366 4.585 50 0 EJAARN COc1ccc(CCC(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000006609596 564093271 /nfs/dbraw/zinc/09/32/71/564093271.db2.gz LBDVVGNNPYQPAM-UHFFFAOYSA-N 0 0 331.415 4.934 50 0 EJAARN Cc1ccsc1-c1ccc(C(=O)N(C)CCC[C@@H]2CCCO2)cc1 ZINC000426389569 564093602 /nfs/dbraw/zinc/09/36/02/564093602.db2.gz DLKMZSOEVJUDSJ-GOSISDBHSA-N 0 0 343.492 4.755 50 0 EJAARN Cc1ccsc1-c1ccc(C(=O)N2CCOC[C@@H]2CC(C)C)cc1 ZINC000426707430 564094416 /nfs/dbraw/zinc/09/44/16/564094416.db2.gz MKMMJQSIQHTVOU-SFHVURJKSA-N 0 0 343.492 4.611 50 0 EJAARN O=C(Nc1ccccn1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000006616674 564094531 /nfs/dbraw/zinc/09/45/31/564094531.db2.gz PSGQQPGZZBBJMM-UHFFFAOYSA-N 0 0 332.281 4.613 50 0 EJAARN O=C(COc1ccc(Cl)c2cccnc12)c1ccc(Cl)cc1 ZINC000006633519 564094657 /nfs/dbraw/zinc/09/46/57/564094657.db2.gz AOYTZHKMDXFLQO-UHFFFAOYSA-N 0 0 332.186 4.803 50 0 EJAARN CCN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000006626217 564094685 /nfs/dbraw/zinc/09/46/85/564094685.db2.gz HAGQOUQMAXBBPD-UHFFFAOYSA-N 0 0 344.263 4.517 50 0 EJAARN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N(C)Cc1ccccc1F ZINC000006637454 564094752 /nfs/dbraw/zinc/09/47/52/564094752.db2.gz ADGWYZAXVIOGRE-HOTGVXAUSA-N 0 0 342.458 4.798 50 0 EJAARN Fc1ccc(Nc2c(-c3ccc(Cl)cc3)nc3cnccn32)cc1 ZINC000064657113 564094768 /nfs/dbraw/zinc/09/47/68/564094768.db2.gz SJGWVMOGJLIESZ-UHFFFAOYSA-N 0 0 338.773 4.932 50 0 EJAARN CC1CCN(C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000006634543 564094820 /nfs/dbraw/zinc/09/48/20/564094820.db2.gz MOJIKJCXQLMHOL-UHFFFAOYSA-N 0 0 337.341 4.838 50 0 EJAARN c1sc(C2CC2)nc1-c1cccc(-c2noc(-c3ccncc3)n2)c1 ZINC000064677060 564095257 /nfs/dbraw/zinc/09/52/57/564095257.db2.gz BQIQUTXUNSYWFE-UHFFFAOYSA-N 0 0 346.415 4.800 50 0 EJAARN CCc1nc(-c2ccc(C(=O)Nc3cccc(OC)c3)cc2)cs1 ZINC000064677402 564095353 /nfs/dbraw/zinc/09/53/53/564095353.db2.gz AQKDEVQSJSBCML-UHFFFAOYSA-N 0 0 338.432 4.633 50 0 EJAARN CCc1nc(-c2ccc(C(=O)Nc3ccc(OC)cc3)cc2)cs1 ZINC000064677403 564095362 /nfs/dbraw/zinc/09/53/62/564095362.db2.gz DGKMJHDPZSIJKU-UHFFFAOYSA-N 0 0 338.432 4.633 50 0 EJAARN CC1CCN(C(=O)c2ccc(-c3csc(C4CC4)n3)cc2)CC1 ZINC000064677559 564095391 /nfs/dbraw/zinc/09/53/91/564095391.db2.gz VRIRYNVHFLVHPS-UHFFFAOYSA-N 0 0 326.465 4.560 50 0 EJAARN CCCOC(=O)c1nc2cc(C)c(C)cc2nc1Nc1ccccc1 ZINC000064690500 564095477 /nfs/dbraw/zinc/09/54/77/564095477.db2.gz SDQWZSJGMTWBKS-UHFFFAOYSA-N 0 0 335.407 4.557 50 0 EJAARN CCc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3)o2)cc1 ZINC000006654277 564095510 /nfs/dbraw/zinc/09/55/10/564095510.db2.gz UKUBQJLJVGQTBS-CYBMUJFWSA-N 0 0 338.432 4.663 50 0 EJAARN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccc(F)cc1 ZINC000006710844 564096295 /nfs/dbraw/zinc/09/62/95/564096295.db2.gz PIDDWUPGRMMRMN-UHFFFAOYSA-N 0 0 347.349 4.590 50 0 EJAARN CC(C)c1ccc(NC(=O)c2ccc3c(c2)nnn3C2CCCC2)cc1 ZINC000064818536 564096533 /nfs/dbraw/zinc/09/65/33/564096533.db2.gz JNWNZZGZIJFYRW-UHFFFAOYSA-N 0 0 348.450 4.922 50 0 EJAARN Cc1ccc(-c2noc3c2ncnc3Nc2ccc(C)cc2C)cc1 ZINC000064820901 564096602 /nfs/dbraw/zinc/09/66/02/564096602.db2.gz WAZZWMJCOCSQJW-UHFFFAOYSA-N 0 0 330.391 4.954 50 0 EJAARN CCOc1ccc(Nc2ncnc3c(-c4ccc(C)cc4)noc32)cc1 ZINC000064820896 564096616 /nfs/dbraw/zinc/09/66/16/564096616.db2.gz DGMGGJKFDSDXNL-UHFFFAOYSA-N 0 0 346.390 4.736 50 0 EJAARN O=C(NCc1ccccc1)c1cc2c(s1)-c1ccccc1SC2 ZINC000006738641 564096703 /nfs/dbraw/zinc/09/67/03/564096703.db2.gz AANDGXMVHJHBLX-UHFFFAOYSA-N 0 0 337.469 4.951 50 0 EJAARN CC(C)NC(=O)C[C@@H](c1c[nH]c2ccccc21)c1ccc(Cl)cc1 ZINC000006740345 564096787 /nfs/dbraw/zinc/09/67/87/564096787.db2.gz SBCOPZSVSOZNKW-QGZVFWFLSA-N 0 0 340.854 4.868 50 0 EJAARN CCc1ccc(CN(Cc2ccco2)C(=O)c2ccc(F)cc2)cc1 ZINC000006747425 564096922 /nfs/dbraw/zinc/09/69/22/564096922.db2.gz FISFIQOLEOVCKO-UHFFFAOYSA-N 0 0 337.394 4.824 50 0 EJAARN Cc1cc(Nc2ccc(C)c(C)c2)n2nc(-c3ccccc3C)nc2n1 ZINC000006748205 564096979 /nfs/dbraw/zinc/09/69/79/564096979.db2.gz YOIHYQSXUASYFG-UHFFFAOYSA-N 0 0 343.434 4.769 50 0 EJAARN CC(C)c1ccc(-c2nc3c(c(=O)[nH]2)Cc2cc(F)ccc2O3)cc1 ZINC000006748538 564097071 /nfs/dbraw/zinc/09/70/71/564097071.db2.gz 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/nfs/dbraw/zinc/09/76/54/564097654.db2.gz FOXFBBQFGUURJQ-MRXNPFEDSA-N 0 0 338.451 4.728 50 0 EJAARN c1cncc(-c2nc3sc4c(c3c(NC3CCCC3)n2)CCC4)c1 ZINC000006786275 564097683 /nfs/dbraw/zinc/09/76/83/564097683.db2.gz ICQCNKKDKITKRC-UHFFFAOYSA-N 0 0 336.464 4.597 50 0 EJAARN COc1ccc(Nc2ncnc3sc4c(c32)CCCCC4)cc1 ZINC000006787628 564097780 /nfs/dbraw/zinc/09/77/80/564097780.db2.gz FSRMIGROINUEOM-UHFFFAOYSA-N 0 0 325.437 4.712 50 0 EJAARN COc1ccc(C)cc1NC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000006788613 564097846 /nfs/dbraw/zinc/09/78/46/564097846.db2.gz LZVWFKXOQWMZSA-UHFFFAOYSA-N 0 0 331.415 4.852 50 0 EJAARN O=C(Cc1csc(-c2ccccc2Cl)n1)NC1CCCCCC1 ZINC000006789320 564097852 /nfs/dbraw/zinc/09/78/52/564097852.db2.gz GJPKPXJLEGKJCU-UHFFFAOYSA-N 0 0 348.899 4.845 50 0 EJAARN CCN1CCSc2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc21 ZINC000006802649 564098251 /nfs/dbraw/zinc/09/82/51/564098251.db2.gz VNJZOQKFSUWZBQ-UHFFFAOYSA-N 0 0 340.492 4.994 50 0 EJAARN COc1cccc(-c2noc(COc3ccc(C(C)(C)C)cc3)n2)c1 ZINC000006810053 564098495 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CC[C@@H]1CN(C(=O)Nc2cccc(SC)c2)c2cc(C)ccc2O1 ZINC000006843658 564099515 /nfs/dbraw/zinc/09/95/15/564099515.db2.gz MYKCZHKFWDBCRU-OAHLLOKOSA-N 0 0 342.464 4.926 50 0 EJAARN O=C(CSCc1cccc2ccccc21)N1CCc2ccccc2C1 ZINC000006844424 564099548 /nfs/dbraw/zinc/09/95/48/564099548.db2.gz GXUKRDDXWGZLHK-UHFFFAOYSA-N 0 0 347.483 4.658 50 0 EJAARN CN(Cc1cccc(Cl)c1)C(=O)CCc1nc2ccccc2s1 ZINC000006847557 564099587 /nfs/dbraw/zinc/09/95/87/564099587.db2.gz YLQZDJVWOKWHML-UHFFFAOYSA-N 0 0 344.867 4.541 50 0 EJAARN CC[C@@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000006852177 564099636 /nfs/dbraw/zinc/09/96/36/564099636.db2.gz JNIZUJSBFOWAEK-HRAATJIYSA-N 0 0 333.431 4.875 50 0 EJAARN COc1cc(-c2ccccc2)nc2ccc(NC(=O)c3ccco3)cc21 ZINC000065034133 564099838 /nfs/dbraw/zinc/09/98/38/564099838.db2.gz HYYVSNZGBIARHH-UHFFFAOYSA-N 0 0 344.370 4.756 50 0 EJAARN COC(=O)c1cc(Nc2ccc(C)cc2Cl)c2cccc(F)c2n1 ZINC000065033709 564099900 /nfs/dbraw/zinc/09/99/00/564099900.db2.gz HTTDHMXUPWYTIM-UHFFFAOYSA-N 0 0 344.773 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Cc1ccccc1C(=O)N[C@@H](c1nc(-c2ccccc2)no1)C(C)(C)C ZINC000526052227 564108674 /nfs/dbraw/zinc/10/86/74/564108674.db2.gz GILOIALVEGDUFM-KRWDZBQOSA-N 0 0 349.434 4.562 50 0 EJAARN Cc1ccnc2[nH]c(CN(C)[C@@H](C)c3ccc(Cl)cc3Cl)nc21 ZINC000170594535 564108958 /nfs/dbraw/zinc/10/89/58/564108958.db2.gz NRNRYNSGLRRMED-NSHDSACASA-N 0 0 349.265 4.766 50 0 EJAARN CCCN(C(=O)c1cc2ccc(C)cc2[nH]1)[C@@H]1CCCc2cccnc21 ZINC000170598915 564109210 /nfs/dbraw/zinc/10/92/10/564109210.db2.gz KRUIPFOTDISQPM-HXUWFJFHSA-N 0 0 347.462 4.801 50 0 EJAARN C[C@H](c1nnc(-c2ccccc2F)s1)N(C)Cc1ccc(F)cc1 ZINC000170599931 564109249 /nfs/dbraw/zinc/10/92/49/564109249.db2.gz LIWNQOBLTWPNOS-GFCCVEGCSA-N 0 0 345.418 4.676 50 0 EJAARN C[C@@H](NC(=S)Nc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000007520721 564109611 /nfs/dbraw/zinc/10/96/11/564109611.db2.gz HFBYYXYBSOUTJL-XUXNNNHQSA-N 0 0 332.488 4.717 50 0 EJAARN CC[C@H](c1nc(-c2ccc(N3CCCCC3)cc2)no1)[NH+](CC)CC ZINC000170606785 564109630 /nfs/dbraw/zinc/10/96/30/564109630.db2.gz PLIUMSYUMWDKLM-GOSISDBHSA-N 0 0 342.487 4.520 50 0 EJAARN Cc1cccc(C(=O)N2N=C(c3ccco3)C[C@@H]2c2ccccc2)c1 ZINC000170615250 564110009 /nfs/dbraw/zinc/11/00/09/564110009.db2.gz KGDSMYCZTAICEY-LJQANCHMSA-N 0 0 330.387 4.580 50 0 EJAARN Cc1cc(C)n(-c2nc3cc(Cl)ccc3c(-c3ccccc3)n2)n1 ZINC000170619421 564110194 /nfs/dbraw/zinc/11/01/94/564110194.db2.gz DXXJHTAYGHXEDK-UHFFFAOYSA-N 0 0 334.810 4.753 50 0 EJAARN Cc1nc2ccccc2nc1N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000170622196 564110372 /nfs/dbraw/zinc/11/03/72/564110372.db2.gz BOWARPPTMTYTHX-LBPRGKRZSA-N 0 0 326.469 4.865 50 0 EJAARN Cc1cccc(OC(F)F)c1NC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000170623532 564110444 /nfs/dbraw/zinc/11/04/44/564110444.db2.gz HEROVLSUZRABDQ-WCQYABFASA-N 0 0 326.387 4.639 50 0 EJAARN CC1=Nc2c(c(=O)[nH]n2C2CCCCC2)[C@H](c2cccc(O)c2)S1 ZINC000071287910 564110930 /nfs/dbraw/zinc/11/09/30/564110930.db2.gz WVYGOUCWRPWFIK-INIZCTEOSA-N 0 0 343.452 4.686 50 0 EJAARN CC(C)(C)n1nc(C(=O)Nc2ccc(F)cc2Cl)cc1C1CC1 ZINC000042709770 564111074 /nfs/dbraw/zinc/11/10/74/564111074.db2.gz RPNDAYFLKRKIJL-UHFFFAOYSA-N 0 0 335.810 4.560 50 0 EJAARN O=C(Nc1nccs1)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000042755476 564111097 /nfs/dbraw/zinc/11/10/97/564111097.db2.gz CZWAOAGOLNIFAH-QGZVFWFLSA-N 0 0 349.415 4.800 50 0 EJAARN C[C@@H](OC(=O)Cc1noc2ccccc12)c1ccc2ccccc2c1 ZINC000071818664 564111215 /nfs/dbraw/zinc/11/12/15/564111215.db2.gz OBMRFPNXTKRASV-CQSZACIVSA-N 0 0 331.371 4.828 50 0 EJAARN O=C(NCCc1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013320420 564111469 /nfs/dbraw/zinc/11/14/69/564111469.db2.gz ZLOKHQNZBUIPKM-UHFFFAOYSA-N 0 0 342.748 4.723 50 0 EJAARN CC[C@H](NC(=O)Nc1ccc(OC)c(OC)c1)c1ccc(Cl)cc1 ZINC000013328974 564111563 /nfs/dbraw/zinc/11/15/63/564111563.db2.gz DEHMRHNQICQUMP-HNNXBMFYSA-N 0 0 348.830 4.630 50 0 EJAARN CCSc1ccc(NC(=O)[C@@H](C)Sc2ccccc2N)s1 ZINC000013579069 564111799 /nfs/dbraw/zinc/11/17/99/564111799.db2.gz XRUJXSBDTCOVMF-SNVBAGLBSA-N 0 0 338.523 4.562 50 0 EJAARN Cc1ccc(OCc2cc(-c3cccs3)on2)c2c1[C@@H](C)CC2=O ZINC000014373760 564112427 /nfs/dbraw/zinc/11/24/27/564112427.db2.gz GSIJMPXNFZZBHQ-LBPRGKRZSA-N 0 0 339.416 4.980 50 0 EJAARN C[C@@H](NC(=O)c1c(F)cccc1F)c1ccc(Cl)c(Cl)c1 ZINC000014424926 564112466 /nfs/dbraw/zinc/11/24/66/564112466.db2.gz KBGSXUZEXBBORB-MRVPVSSYSA-N 0 0 330.161 4.763 50 0 EJAARN C[C@H](NC(=O)c1c(F)cccc1F)c1ccc(Cl)c(Cl)c1 ZINC000014424927 564112477 /nfs/dbraw/zinc/11/24/77/564112477.db2.gz KBGSXUZEXBBORB-QMMMGPOBSA-N 0 0 330.161 4.763 50 0 EJAARN O=C(c1cccc(Br)c1)c1cccc(C(F)(F)F)c1 ZINC000109708988 564113752 /nfs/dbraw/zinc/11/37/52/564113752.db2.gz ZGLXSWHFUWZJFJ-UHFFFAOYSA-N 0 0 329.115 4.699 50 0 EJAARN Cc1ccccc1CSc1nccn2nc(-c3ccccc3)cc12 ZINC000016842519 564113808 /nfs/dbraw/zinc/11/38/08/564113808.db2.gz CWSKVRLJXHXXML-UHFFFAOYSA-N 0 0 331.444 4.997 50 0 EJAARN c1csc(CCNc2nnc(SC3CCCCC3)s2)c1 ZINC000089800002 564113906 /nfs/dbraw/zinc/11/39/06/564113906.db2.gz CVYOMAPNWZYJIZ-UHFFFAOYSA-N 0 0 325.528 4.679 50 0 EJAARN COc1cccc([C@@H](C)NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1 ZINC000089905275 564115115 /nfs/dbraw/zinc/11/51/15/564115115.db2.gz XBWGBJIWNHGXKK-CQSZACIVSA-N 0 0 348.446 4.546 50 0 EJAARN COc1cc(NC(=O)C2(c3cccs3)CCCCC2)cc(OC)c1 ZINC000170634141 564116509 /nfs/dbraw/zinc/11/65/09/564116509.db2.gz GKJBXNAJYDIHKD-UHFFFAOYSA-N 0 0 345.464 4.606 50 0 EJAARN CCCOc1ccc(OCCOc2cccc3ccc(C)nc32)cc1 ZINC000002824125 564117047 /nfs/dbraw/zinc/11/70/47/564117047.db2.gz PNGIHJUAOMUJTM-UHFFFAOYSA-N 0 0 337.419 4.790 50 0 EJAARN Cc1ccc(OCCOc2c(Cl)cc(Cl)cc2C=O)cc1C ZINC000002873165 564117067 /nfs/dbraw/zinc/11/70/67/564117067.db2.gz NTTBNSMZHWCUOU-UHFFFAOYSA-N 0 0 339.218 4.881 50 0 EJAARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCC1 ZINC000002871131 564117072 /nfs/dbraw/zinc/11/70/72/564117072.db2.gz REZXKGNQQHNVQI-UHFFFAOYSA-N 0 0 325.252 4.853 50 0 EJAARN Cc1nc2ccc(NC(=O)c3ccc(F)cc3C(F)(F)F)cc2o1 ZINC000134870367 564117666 /nfs/dbraw/zinc/11/76/66/564117666.db2.gz GIOOFYPRHZHMPQ-UHFFFAOYSA-N 0 0 338.260 4.546 50 0 EJAARN COc1ccccc1/C=C/[C@@]12NC(=O)CCN1c1ccccc1C2(C)C ZINC000002108667 564117991 /nfs/dbraw/zinc/11/79/91/564117991.db2.gz TWFCISJXYNAPMT-XSEIIIHRSA-N 0 0 348.446 4.563 50 0 biogenic EJAARN C[C@@H]1C[C@H](OC(=O)Nc2ccccc2)[C@@H]2C=C(Cl)C=C[C@H]2S1 ZINC000252427644 564118380 /nfs/dbraw/zinc/11/83/80/564118380.db2.gz AVUMPMDHVMPXFL-IPOQPSJVSA-N 0 0 335.856 4.806 50 0 EJAARN Cc1cc(Cl)ccc1OCC(=O)Nc1cc(Cl)ccc1Cl ZINC000000398833 564118889 /nfs/dbraw/zinc/11/88/89/564118889.db2.gz PCKOXQWROGTOQI-UHFFFAOYSA-N 0 0 344.625 4.973 50 0 EJAARN O=c1cc(Nc2ccc(C3CCCCC3)cc2)[nH]n1-c1ccccc1 ZINC000002581480 564119093 /nfs/dbraw/zinc/11/90/93/564119093.db2.gz QKUSSWRSHPNKKR-UHFFFAOYSA-N 0 0 333.435 4.897 50 0 EJAARN Cc1nnc([C@@H](C)NC(c2ccccc2C)c2ccccc2C)s1 ZINC000252486141 564119340 /nfs/dbraw/zinc/11/93/40/564119340.db2.gz HHXQQTGDZFDTBC-OAHLLOKOSA-N 0 0 337.492 4.904 50 0 EJAARN CCc1cccc(CC)c1NC(=O)CN1c2ccccc2CC[C@H]1C ZINC000007619147 564121097 /nfs/dbraw/zinc/12/10/97/564121097.db2.gz CHKXRJGBUKEQDT-MRXNPFEDSA-N 0 0 336.479 4.591 50 0 EJAARN CCOC(=O)c1c(CSc2ccccc2)oc2ccc(O)cc21 ZINC000002206727 564121157 /nfs/dbraw/zinc/12/11/57/564121157.db2.gz QOMJXOZGZZSHKH-UHFFFAOYSA-N 0 0 328.389 4.607 50 0 EJAARN O=C(Nc1cccc(N2CCCCC2)c1)Nc1cccc2cccnc21 ZINC000065820607 564121318 /nfs/dbraw/zinc/12/13/18/564121318.db2.gz PHXQGLSAXXMCSI-UHFFFAOYSA-N 0 0 346.434 4.869 50 0 EJAARN C[C@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000007644680 564121486 /nfs/dbraw/zinc/12/14/86/564121486.db2.gz FKUKEJDIVOXYQL-JTQLQIEISA-N 0 0 327.733 4.850 50 0 EJAARN Cc1cc(Cl)ccc1NC(=O)c1cc(Br)ccc1F ZINC000007670014 564121753 /nfs/dbraw/zinc/12/17/53/564121753.db2.gz ZEPIEVRPQHMPJL-UHFFFAOYSA-N 0 0 342.595 4.802 50 0 EJAARN Cc1ccsc1C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000007688726 564121940 /nfs/dbraw/zinc/12/19/40/564121940.db2.gz HMURBFLNGKIKFY-UHFFFAOYSA-N 0 0 336.388 4.711 50 0 EJAARN COc1ccc2oc(C(=O)N3CCC[C@H]4CCCC[C@@H]43)c(C)c2c1 ZINC000007689997 564121961 /nfs/dbraw/zinc/12/19/61/564121961.db2.gz SORNPEHOJDVEMC-PBHICJAKSA-N 0 0 327.424 4.545 50 0 EJAARN CCc1ccccc1NC(=O)CS[C@@H](C)c1nc2ccccc2[nH]1 ZINC000007724154 564122299 /nfs/dbraw/zinc/12/22/99/564122299.db2.gz HNQSLLAURRVTOW-ZDUSSCGKSA-N 0 0 339.464 4.558 50 0 EJAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)c2cccc(F)c2)c1 ZINC000007758784 564122746 /nfs/dbraw/zinc/12/27/46/564122746.db2.gz JSMPWLMWUBADCQ-UHFFFAOYSA-N 0 0 348.377 4.639 50 0 EJAARN Cc1c(=O)c2cccc(C(=O)NCCC(C)C)c2oc1-c1ccccc1 ZINC000007770866 564122979 /nfs/dbraw/zinc/12/29/79/564122979.db2.gz XBWDGFBKBGKWIL-UHFFFAOYSA-N 0 0 349.430 4.544 50 0 biogenic EJAARN O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000007780518 564123161 /nfs/dbraw/zinc/12/31/61/564123161.db2.gz IBEAOTZZIAVUMH-PXNSSMCTSA-N 0 0 349.478 4.545 50 0 EJAARN CC[C@H](C)[C@H](C(=O)Nc1cc(C(=O)OC)ccc1C)c1ccccc1 ZINC000007801236 564123579 /nfs/dbraw/zinc/12/35/79/564123579.db2.gz XXUXHTOWRUTVMA-LIRRHRJNSA-N 0 0 339.435 4.550 50 0 EJAARN O=C(NCCC1=CCCCC1)c1ccccc1SC[C@H]1CCCO1 ZINC000027389975 564123967 /nfs/dbraw/zinc/12/39/67/564123967.db2.gz SRWIXRRPFWVVOY-QGZVFWFLSA-N 0 0 345.508 4.578 50 0 EJAARN Cc1cc(C)n(-c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)n1 ZINC000007814762 564123983 /nfs/dbraw/zinc/12/39/83/564123983.db2.gz RVWKIHGQHSYUDP-UHFFFAOYSA-N 0 0 334.810 4.753 50 0 EJAARN Cc1nc(-c2ccc(CNC(=O)c3cc(C)ccc3C)s2)cs1 ZINC000007820633 564124023 /nfs/dbraw/zinc/12/40/23/564124023.db2.gz UCKWFENKQPDJOR-UHFFFAOYSA-N 0 0 342.489 4.727 50 0 EJAARN Cc1cc(C(=O)CSc2nnc(-c3ccc(F)cc3)o2)c(C)s1 ZINC000007829820 564124080 /nfs/dbraw/zinc/12/40/80/564124080.db2.gz LAGIUEVMELUKRD-UHFFFAOYSA-N 0 0 348.424 4.529 50 0 EJAARN CCc1cccc(C)c1NC(=O)c1csc(-c2cccs2)n1 ZINC000007918755 564125153 /nfs/dbraw/zinc/12/51/53/564125153.db2.gz JWQOXNUDCZEAED-UHFFFAOYSA-N 0 0 328.462 4.995 50 0 EJAARN CCCCNc1ncnc2c1sc1nc(CC)c3c(c12)CCCC3 ZINC000002270902 564125430 /nfs/dbraw/zinc/12/54/30/564125430.db2.gz AZWPIRXTFIAKRY-UHFFFAOYSA-N 0 0 340.496 4.893 50 0 EJAARN CC(C)[C@H](NC(=O)c1cccc(C(F)(F)F)c1)c1cccs1 ZINC000007924982 564125506 /nfs/dbraw/zinc/12/55/06/564125506.db2.gz ZDINVZLRYUTOMF-AWEZNQCLSA-N 0 0 327.371 4.894 50 0 EJAARN CC(C)[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1cccs1 ZINC000007925014 564125507 /nfs/dbraw/zinc/12/55/07/564125507.db2.gz AZSOFVHMFYSWOF-INIZCTEOSA-N 0 0 341.398 4.823 50 0 EJAARN Clc1ccc([C@@H]2CC(c3ccccc3)=Nc3ncnn32)cc1Cl ZINC000019798744 564129034 /nfs/dbraw/zinc/12/90/34/564129034.db2.gz XHAREFSNOHCVSP-INIZCTEOSA-N 0 0 343.217 4.641 50 0 EJAARN COc1cccc(OC2CN(C(c3ccccc3)c3ccccc3)C2)c1 ZINC000034447336 564129199 /nfs/dbraw/zinc/12/91/99/564129199.db2.gz VSQCNKSPBCLILD-UHFFFAOYSA-N 0 0 345.442 4.548 50 0 EJAARN O=C(Nc1ccc(-c2ccco2)cc1)c1ccncc1C(F)(F)F ZINC000253394931 564130487 /nfs/dbraw/zinc/13/04/87/564130487.db2.gz QECGEWYTSSYFIM-UHFFFAOYSA-N 0 0 332.281 4.613 50 0 EJAARN CCC[C@H](C(=O)Nc1cc(C(C)C)c(O)cc1C)c1ccccn1 ZINC000253407981 564130647 /nfs/dbraw/zinc/13/06/47/564130647.db2.gz QWEQBOVFNDIRCY-HNNXBMFYSA-N 0 0 326.440 4.741 50 0 EJAARN Cc1cccc(F)c1NC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000253429731 564131283 /nfs/dbraw/zinc/13/12/83/564131283.db2.gz UZTWUMBYQKCBOQ-MRXNPFEDSA-N 0 0 341.411 4.502 50 0 EJAARN CO[C@@H](CNC(=O)Nc1ccccc1Cl)c1cc2ccccc2o1 ZINC000253472773 564132680 /nfs/dbraw/zinc/13/26/80/564132680.db2.gz PIEUAYLPWSSHMM-KRWDZBQOSA-N 0 0 344.798 4.595 50 0 EJAARN CC(C)Cc1ccc(/C=C/C(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000002383628 564134206 /nfs/dbraw/zinc/13/42/06/564134206.db2.gz JZZLTPBKFGVDEM-VAWYXSNFSA-N 0 0 346.474 4.739 50 0 EJAARN CCOc1ccccc1C(=O)Nc1nc2c(ccc(C)c2C)s1 ZINC000027756670 564134378 /nfs/dbraw/zinc/13/43/78/564134378.db2.gz BBJWKTJSMQZLER-UHFFFAOYSA-N 0 0 326.421 4.564 50 0 EJAARN COc1ccccc1-c1csc(NC(=O)c2cccc(Cl)c2)n1 ZINC000027756762 564134421 /nfs/dbraw/zinc/13/44/21/564134421.db2.gz APWCFNHLDHNURE-UHFFFAOYSA-N 0 0 344.823 4.724 50 0 EJAARN CCCCn1nc(NC(=O)c2ccco2)c2cc3cccc(C)c3nc21 ZINC000002401556 564134601 /nfs/dbraw/zinc/13/46/01/564134601.db2.gz QTQUBQIIJOMBBR-UHFFFAOYSA-N 0 0 348.406 4.538 50 0 EJAARN O=C(Nc1ccc(Cl)cc1F)c1cc(Br)ccc1F ZINC000012821734 564135620 /nfs/dbraw/zinc/13/56/20/564135620.db2.gz STFSGNYBHATLRG-UHFFFAOYSA-N 0 0 346.558 4.633 50 0 EJAARN Cc1nc(-c2ccsc2)sc1C(=O)Nc1cc(F)cc(F)c1 ZINC000012981480 564135788 /nfs/dbraw/zinc/13/57/88/564135788.db2.gz BEVZBHIFKWEBRE-UHFFFAOYSA-N 0 0 336.388 4.711 50 0 EJAARN Cc1ccccc1CN(C)C(=O)CCCOc1ccc(Cl)cc1C ZINC000013096228 564136006 /nfs/dbraw/zinc/13/60/06/564136006.db2.gz YGUROKWBPJVZTB-UHFFFAOYSA-N 0 0 345.870 4.774 50 0 EJAARN COc1cccc(CO[C@@H]2C[C@H](C)S[C@@H]3C=CC(Cl)=C[C@H]32)c1 ZINC000013401143 564136370 /nfs/dbraw/zinc/13/63/70/564136370.db2.gz TUBWQLBEFSFOMZ-DUOKCRBOSA-N 0 0 336.884 4.783 50 0 EJAARN Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccc(F)c(F)c1 ZINC000007953306 564136387 /nfs/dbraw/zinc/13/63/87/564136387.db2.gz ZHXXJERCCVUFNI-UHFFFAOYSA-N 0 0 336.388 4.711 50 0 EJAARN Cn1c2ccccc2nc1NC(=O)Nc1cccc(Cl)c1Cl ZINC000027923895 564137518 /nfs/dbraw/zinc/13/75/18/564137518.db2.gz UQCJUWNHWORNFW-UHFFFAOYSA-N 0 0 335.194 4.524 50 0 EJAARN Cc1cccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)c1 ZINC000020137476 564138368 /nfs/dbraw/zinc/13/83/68/564138368.db2.gz HOKURLPBNQPMHY-UHFFFAOYSA-N 0 0 341.794 4.653 50 0 EJAARN O=C(CCc1ccccc1F)N[C@H](c1ccsc1)c1cccs1 ZINC000390826520 564138477 /nfs/dbraw/zinc/13/84/77/564138477.db2.gz NGPGSVOZDHJAHM-GOSISDBHSA-N 0 0 345.464 4.787 50 0 EJAARN CC(C)Oc1ccc(C(=O)NC2(c3cccs3)CCCC2)cc1 ZINC000390827367 564138532 /nfs/dbraw/zinc/13/85/32/564138532.db2.gz GOLYHNNEUIQECX-UHFFFAOYSA-N 0 0 329.465 4.735 50 0 EJAARN CSc1ccccc1C(=O)N1CCCC[C@@H]1CSC(C)(C)C ZINC000390830814 564138648 /nfs/dbraw/zinc/13/86/48/564138648.db2.gz NPUFGZFSMTXGMF-CQSZACIVSA-N 0 0 337.554 4.935 50 0 EJAARN O=C(NCCCc1cc2ccccc2o1)NCc1ccc(Cl)cc1 ZINC000390830744 564138660 /nfs/dbraw/zinc/13/86/60/564138660.db2.gz NAZSVUFESPOZPJ-UHFFFAOYSA-N 0 0 342.826 4.518 50 0 EJAARN Cc1ccccc1CCC(=O)N1CCCC[C@H]1CSC(C)(C)C ZINC000390830343 564138662 /nfs/dbraw/zinc/13/86/62/564138662.db2.gz KJWVHJRTJHWFGX-SFHVURJKSA-N 0 0 333.541 4.840 50 0 EJAARN C[C@H](OC(=O)c1cccc2ncccc21)c1nc2ccccc2s1 ZINC000095348589 564139221 /nfs/dbraw/zinc/13/92/21/564139221.db2.gz RRDINGQAUVLICL-LBPRGKRZSA-N 0 0 334.400 4.763 50 0 EJAARN CSc1ccccc1NCc1nnc(-c2cccc(Cl)c2)o1 ZINC000095414813 564139736 /nfs/dbraw/zinc/13/97/36/564139736.db2.gz LIUVQTJJMXIQCU-UHFFFAOYSA-N 0 0 331.828 4.724 50 0 EJAARN Cc1cnc(C(C)(C)NCc2cc(Cl)cc3cccnc32)s1 ZINC000095418551 564139804 /nfs/dbraw/zinc/13/98/04/564139804.db2.gz YBSSQQCAUMYGAQ-UHFFFAOYSA-N 0 0 331.872 4.678 50 0 EJAARN Cc1ccc(C)c(NC(=O)c2c(Cl)nccc2C(F)(F)F)c1 ZINC000095939756 564141956 /nfs/dbraw/zinc/14/19/56/564141956.db2.gz LWYFQVQGGHMMRC-UHFFFAOYSA-N 0 0 328.721 4.623 50 0 EJAARN CCCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1csc(C(C)C)n1 ZINC000095953939 564142472 /nfs/dbraw/zinc/14/24/72/564142472.db2.gz SZCWOUNMYFZFCK-OAHLLOKOSA-N 0 0 349.887 4.896 50 0 EJAARN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccnc(F)c1 ZINC000095957825 564142568 /nfs/dbraw/zinc/14/25/68/564142568.db2.gz CSUCQCUSPDNALA-UHFFFAOYSA-N 0 0 349.390 4.750 50 0 EJAARN CC(C)c1ccc([C@H](C)NCc2noc(Cc3ccccc3)n2)cc1 ZINC000095957522 564142574 /nfs/dbraw/zinc/14/25/74/564142574.db2.gz ZUIHVBHSIUNQLF-INIZCTEOSA-N 0 0 335.451 4.635 50 0 EJAARN CCO[C@H](C)c1nc(CN[C@@]2(C)CCCc3ccccc32)cs1 ZINC000095960511 564142693 /nfs/dbraw/zinc/14/26/93/564142693.db2.gz DBEZIRXABCBRRX-KUHUBIRLSA-N 0 0 330.497 4.582 50 0 EJAARN Cc1cnc(CN[C@H](c2nc(C(C)(C)C)cs2)c2ccccc2)o1 ZINC000095966862 564142978 /nfs/dbraw/zinc/14/29/78/564142978.db2.gz LGAUJEFKQMFLQS-KRWDZBQOSA-N 0 0 341.480 4.616 50 0 EJAARN Cc1cnc([C@@H](C)N[C@@H](C)c2ccc(F)cc2OC(F)F)s1 ZINC000095969007 564143297 /nfs/dbraw/zinc/14/32/97/564143297.db2.gz VULRKBJRUJEOHP-VHSXEESVSA-N 0 0 330.375 4.604 50 0 EJAARN Cc1ccc(N2C(=O)c3sc4nc(C)cc(C)c4c3N[C@@H]2C)cc1 ZINC000021169212 564143952 /nfs/dbraw/zinc/14/39/52/564143952.db2.gz YUDKVSGBLJQGTF-ZDUSSCGKSA-N 0 0 337.448 4.640 50 0 EJAARN CC[C@H](C)Sc1ccc(NC(=O)N[C@H](C)c2ccon2)c(C)c1 ZINC000096004125 564144484 /nfs/dbraw/zinc/14/44/84/564144484.db2.gz QIWBKQIXOWNPLG-QWHCGFSZSA-N 0 0 333.457 4.756 50 0 EJAARN Cc1nc(-c2ccccc2C)sc1CNC(=O)Nc1cccs1 ZINC000096024550 564144871 /nfs/dbraw/zinc/14/48/71/564144871.db2.gz NARAPGNKVPBSRM-UHFFFAOYSA-N 0 0 343.477 4.810 50 0 EJAARN O=C(CSC1CCCC1)N(CCc1cccs1)Cc1ccco1 ZINC000096025728 564144914 /nfs/dbraw/zinc/14/49/14/564144914.db2.gz LFTPBOIAHRAFJR-UHFFFAOYSA-N 0 0 349.521 4.588 50 0 EJAARN CCCCCCN[C@@H](C(=O)OCC)c1ccc(Cl)c(Cl)c1 ZINC000096026573 564144950 /nfs/dbraw/zinc/14/49/50/564144950.db2.gz MCGKNNCZLMWSRW-OAHLLOKOSA-N 0 0 332.271 4.768 50 0 EJAARN O=C(N[C@@H]1CCCc2c3cc(F)ccc3[nH]c21)c1cccc2[nH]ccc21 ZINC000096114800 564145433 /nfs/dbraw/zinc/14/54/33/564145433.db2.gz YFGWXZBTYKGDAE-LJQANCHMSA-N 0 0 347.393 4.596 50 0 biogenic EJAARN O=C(NCc1ccccc1-c1ccsc1)c1ccccc1Cl ZINC000096122924 564145652 /nfs/dbraw/zinc/14/56/52/564145652.db2.gz BWPBHHWXDCPFFP-UHFFFAOYSA-N 0 0 327.836 4.999 50 0 EJAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCS[C@@H]1c1cccs1 ZINC000096230591 564146061 /nfs/dbraw/zinc/14/60/61/564146061.db2.gz AWGLTNATGHOTIQ-CQSZACIVSA-N 0 0 344.288 4.943 50 0 EJAARN Cc1cnc(NC(=O)c2ccc(Oc3ccccc3Cl)o2)s1 ZINC000096183871 564145903 /nfs/dbraw/zinc/14/59/03/564145903.db2.gz BQQJXCZOGLYPLB-UHFFFAOYSA-N 0 0 334.784 4.743 50 0 EJAARN CC(C)c1ccc(NC(=O)CC2(n3cccc3)CCSCC2)cc1 ZINC000096230744 564146047 /nfs/dbraw/zinc/14/60/47/564146047.db2.gz SRTVOJYGQLQIHF-UHFFFAOYSA-N 0 0 342.508 4.863 50 0 EJAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCS[C@H]1c1cccs1 ZINC000096230592 564146063 /nfs/dbraw/zinc/14/60/63/564146063.db2.gz AWGLTNATGHOTIQ-AWEZNQCLSA-N 0 0 344.288 4.943 50 0 EJAARN CC[C@@H](C)[C@H](NC(=O)CC(C)C)c1nc(-c2cccc(Cl)c2)no1 ZINC000096276046 564146249 /nfs/dbraw/zinc/14/62/49/564146249.db2.gz RQBBOYKPRJONET-WBMJQRKESA-N 0 0 349.862 4.640 50 0 EJAARN O=C(/C=C\c1nc2ccccc2o1)Nc1ccc(-c2ccccc2)cn1 ZINC000096291566 564146434 /nfs/dbraw/zinc/14/64/34/564146434.db2.gz NKPKEWGRWWQLAY-SEYXRHQNSA-N 0 0 341.370 4.542 50 0 EJAARN CC[C@H](C)[C@@H](NC(=O)CC(C)(C)C)c1nc(-c2cccc(C)c2)no1 ZINC000096294211 564146527 /nfs/dbraw/zinc/14/65/27/564146527.db2.gz MGLSFBCXBRPPIO-WMLDXEAASA-N 0 0 343.471 4.685 50 0 EJAARN COc1cccc([C@@H]2C[C@H](c3ccc(C(C)C)cc3)n3ncnc3N2)c1 ZINC000002472011 564149727 /nfs/dbraw/zinc/14/97/27/564149727.db2.gz SHCONDSQSFZVHA-VQTJNVASSA-N 0 0 348.450 4.556 50 0 EJAARN Cc1cccc([C@@H]2CCCN2C(=O)CC2CC(c3ccccc3)C2)n1 ZINC000225608097 564149945 /nfs/dbraw/zinc/14/99/45/564149945.db2.gz OTHWWBGHEWSHFZ-XTXLOEGASA-N 0 0 334.463 4.637 50 0 EJAARN O=c1c(Cl)cc(C(F)(F)F)cn1Cc1cccc2ccccc21 ZINC000002625617 564151334 /nfs/dbraw/zinc/15/13/34/564151334.db2.gz FJYASRQRHIIBIA-UHFFFAOYSA-N 0 0 337.728 4.722 50 0 EJAARN O=C(CN1CCCCC1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000002629064 564151428 /nfs/dbraw/zinc/15/14/28/564151428.db2.gz IBHOWEJCMULNCA-UHFFFAOYSA-N 0 0 344.842 4.557 50 0 EJAARN O=C(/C=C/c1cnc2ccccc2n1)Nc1ccc(Cl)c(Cl)c1 ZINC000002653009 564151917 /nfs/dbraw/zinc/15/19/17/564151917.db2.gz XNBPZWKTHHBWNQ-SOFGYWHQSA-N 0 0 344.201 4.589 50 0 EJAARN O=C(CCc1c[nH]c2ccccc12)Nc1cccc(C(F)(F)F)c1 ZINC000002665013 564152085 /nfs/dbraw/zinc/15/20/85/564152085.db2.gz ARBYRLOTPFXZPZ-UHFFFAOYSA-N 0 0 332.325 4.758 50 0 EJAARN CCCCCNc1nc2c(-c3cccc(C)c3)nnn2c2ccccc21 ZINC000002694160 564152189 /nfs/dbraw/zinc/15/21/89/564152189.db2.gz MRXKNJKTHKZGJR-UHFFFAOYSA-N 0 0 345.450 4.855 50 0 EJAARN CCCCn1c2ccccc2nc1[C@H](C)NC(=O)c1cccc(C)c1 ZINC000002721308 564152233 /nfs/dbraw/zinc/15/22/33/564152233.db2.gz JADVDUYRLDILJT-INIZCTEOSA-N 0 0 335.451 4.636 50 0 EJAARN Cc1[nH]c2ccccc2c1SCCNC(=O)c1ccc(C)c(C)c1 ZINC000002721086 564152236 /nfs/dbraw/zinc/15/22/36/564152236.db2.gz JBVJPNOLWKXLQD-UHFFFAOYSA-N 0 0 338.476 4.615 50 0 EJAARN CCCCCCNC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000002771278 564152564 /nfs/dbraw/zinc/15/25/64/564152564.db2.gz DSAWZNYMYGASCZ-UHFFFAOYSA-N 0 0 332.271 4.849 50 0 EJAARN Cc1ccc(CC(=O)N2CCC[C@H]2c2nc3ccccc3s2)s1 ZINC000057045243 564153232 /nfs/dbraw/zinc/15/32/32/564153232.db2.gz YJDQXMYHBMXYCB-HNNXBMFYSA-N 0 0 342.489 4.572 50 0 EJAARN CSc1ccc(Cl)c(C(=O)Nc2nc(-c3ccc[nH]3)cs2)c1 ZINC000029351835 564153363 /nfs/dbraw/zinc/15/33/63/564153363.db2.gz GWEUYQBTQWLBCK-UHFFFAOYSA-N 0 0 349.868 4.766 50 0 EJAARN CC[C@H]1c2ccsc2CCN1C(=O)N[C@H](C)c1sc(C)nc1C ZINC000057283391 564153483 /nfs/dbraw/zinc/15/34/83/564153483.db2.gz AJVODLBMPZSRSZ-RISCZKNCSA-N 0 0 349.525 4.601 50 0 EJAARN COc1ccc(-c2nnc(C34CC5CC(CC(C5)C3)C4)s2)cc1 ZINC000670424936 564153707 /nfs/dbraw/zinc/15/37/07/564153707.db2.gz MUENDTWXIAMTCG-UHFFFAOYSA-N 0 0 326.465 4.682 50 0 EJAARN O=C(Nc1cccc(-c2nc3cccnc3s2)c1)c1ccccc1F ZINC000002961430 564153802 /nfs/dbraw/zinc/15/38/02/564153802.db2.gz VDTNXXNVWLQJIU-UHFFFAOYSA-N 0 0 349.390 4.750 50 0 EJAARN C[C@H](c1ccco1)N(Cc1ccco1)C(=S)Nc1cccc(F)c1 ZINC000002965051 564153862 /nfs/dbraw/zinc/15/38/62/564153862.db2.gz AEZQRZADCKURPC-CYBMUJFWSA-N 0 0 344.411 4.972 50 0 EJAARN Cc1cc(C)cc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)c1 ZINC000057412182 564154048 /nfs/dbraw/zinc/15/40/48/564154048.db2.gz AMYGLFYOBAWYHV-UHFFFAOYSA-N 0 0 325.799 4.599 50 0 EJAARN Cc1cc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)ccc1Cl ZINC000057412400 564154081 /nfs/dbraw/zinc/15/40/81/564154081.db2.gz VWNBOFILCVDTAN-UHFFFAOYSA-N 0 0 346.217 4.944 50 0 EJAARN CN(C(=O)c1cc(-c2cccc(Cl)c2)[nH]n1)c1ccccc1Cl ZINC000057412725 564154181 /nfs/dbraw/zinc/15/41/81/564154181.db2.gz ILSOLXPJKOCNSZ-UHFFFAOYSA-N 0 0 346.217 4.660 50 0 EJAARN CCOC(=O)N[C@H]1Cc2ccccc2[C@H]1Sc1ccc(Cl)cc1 ZINC000003047684 564154695 /nfs/dbraw/zinc/15/46/95/564154695.db2.gz NVJOKZZYFMPHNR-DLBZAZTESA-N 0 0 347.867 4.844 50 0 EJAARN O=C(NC1CCCC1)c1ccc(CSCc2ccccc2F)o1 ZINC000003053637 564154772 /nfs/dbraw/zinc/15/47/72/564154772.db2.gz QOPVPCMUMXEWDU-UHFFFAOYSA-N 0 0 333.428 4.525 50 0 EJAARN C[C@@H](c1cc2ccccc2o1)N(C)Cc1nc(-c2ccccc2)no1 ZINC000030006552 564155155 /nfs/dbraw/zinc/15/51/55/564155155.db2.gz YZSLAXTUIMTADG-AWEZNQCLSA-N 0 0 333.391 4.676 50 0 EJAARN O=C(/C=C/c1ncc(C(F)(F)F)cc1Cl)OCc1ccccc1 ZINC000003133845 564155377 /nfs/dbraw/zinc/15/53/77/564155377.db2.gz QQFAEOWNLJZHKN-VOTSOKGWSA-N 0 0 341.716 4.510 50 0 EJAARN O=c1oc(Nc2cccc(C(F)(F)F)c2)nc2ccc(Cl)cc12 ZINC000003135992 564155405 /nfs/dbraw/zinc/15/54/05/564155405.db2.gz FOGMEAVMKBUZNQ-UHFFFAOYSA-N 0 0 340.688 4.604 50 0 EJAARN COc1ccccc1NC(=O)COc1ccc(Oc2ccccc2)cc1 ZINC000003189533 564155789 /nfs/dbraw/zinc/15/57/89/564155789.db2.gz XOTIVKSFTRPXAT-UHFFFAOYSA-N 0 0 349.386 4.505 50 0 EJAARN C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc(C2CC2)on1 ZINC000030316515 564155879 /nfs/dbraw/zinc/15/58/79/564155879.db2.gz SHOAYVMXWVJLTO-VIFPVBQESA-N 0 0 339.222 4.692 50 0 EJAARN CN(Cc1nnc(-c2ccccc2)o1)Cc1ccc(Cl)cc1Cl ZINC000057794374 564155890 /nfs/dbraw/zinc/15/58/90/564155890.db2.gz KDFFIOGXKGCGJD-UHFFFAOYSA-N 0 0 348.233 4.675 50 0 EJAARN O=C(NCc1ccco1)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000003219868 564156127 /nfs/dbraw/zinc/15/61/27/564156127.db2.gz HQSDPAZAWVEMEW-UHFFFAOYSA-N 0 0 346.361 4.564 50 0 EJAARN O=C(OCc1csc(Nc2ccccc2)n1)c1ccc(Cl)cc1 ZINC000003229410 564156293 /nfs/dbraw/zinc/15/62/93/564156293.db2.gz GNURDSUHZNMDGV-UHFFFAOYSA-N 0 0 344.823 4.897 50 0 EJAARN c1ccc(-c2nnc(SCc3nc4ccccc4s3)o2)cc1 ZINC000003280329 564156890 /nfs/dbraw/zinc/15/68/90/564156890.db2.gz ZUCSWAGLGQUUKO-UHFFFAOYSA-N 0 0 325.418 4.639 50 0 EJAARN CC(=O)Nc1ccc(SCCCC(=O)c2ccc(F)cc2)cc1 ZINC000003280875 564156896 /nfs/dbraw/zinc/15/68/96/564156896.db2.gz HSPSBYMCGSYABE-UHFFFAOYSA-N 0 0 331.412 4.539 50 0 EJAARN O=C(OCc1ccc(F)cc1)c1cc(-c2ccco2)nc2ccccc21 ZINC000003283774 564156940 /nfs/dbraw/zinc/15/69/40/564156940.db2.gz LZXGOUXMHVXYLC-UHFFFAOYSA-N 0 0 347.345 4.991 50 0 EJAARN Cc1ccc(Nc2nnc(SCC(=O)C(C)(C)C)s2)cc1C ZINC000003290400 564157067 /nfs/dbraw/zinc/15/70/67/564157067.db2.gz BTLQHYQMYNFPAO-UHFFFAOYSA-N 0 0 335.498 4.606 50 0 EJAARN CCN(CC)c1cccc(Oc2ncnc3sc(C)c(C)c32)c1 ZINC000003310259 564157257 /nfs/dbraw/zinc/15/72/57/564157257.db2.gz KVPBGNLPNKPMPK-UHFFFAOYSA-N 0 0 327.453 4.947 50 0 EJAARN CCOC(=O)c1cc(-c2ccc(C)cc2)nn1-c1ccc(C)cc1C ZINC000003331357 564157416 /nfs/dbraw/zinc/15/74/16/564157416.db2.gz CIIJURHTWJZYEC-UHFFFAOYSA-N 0 0 334.419 4.641 50 0 EJAARN Cc1csc(SCCCC(=O)Nc2c(C)cc(C)cc2C)n1 ZINC000003361148 564157704 /nfs/dbraw/zinc/15/77/04/564157704.db2.gz LIMFZAUEPIOZPO-UHFFFAOYSA-N 0 0 334.510 4.888 50 0 EJAARN Cc1ccc(C)c(C[S@](=O)Cc2cccc(C(F)(F)F)c2)c1 ZINC000058130908 564157747 /nfs/dbraw/zinc/15/77/47/564157747.db2.gz QGHMQMCBDKGGBG-QFIPXVFZSA-N 0 0 326.383 4.771 50 0 EJAARN OCCCCCSc1nn(-c2ccc(Cl)cc2)c(=S)s1 ZINC000058175152 564157969 /nfs/dbraw/zinc/15/79/69/564157969.db2.gz IMTANDAVBVYNBG-UHFFFAOYSA-N 0 0 346.930 4.571 50 0 EJAARN O=C(CNc1ccccc1F)Nc1cccc(Oc2ccccc2)c1 ZINC000003413306 564158019 /nfs/dbraw/zinc/15/80/19/564158019.db2.gz RRFZWATZKPQQAI-UHFFFAOYSA-N 0 0 336.366 4.669 50 0 EJAARN O=[S@@](Cc1cccc(Cl)c1)Cc1cccc(C(F)(F)F)c1 ZINC000058203481 564158062 /nfs/dbraw/zinc/15/80/62/564158062.db2.gz PQSYIQQTQRTVCA-NRFANRHFSA-N 0 0 332.774 4.808 50 0 EJAARN CC(=O)c1ccc(-c2ccc(C(=O)Nc3cc(F)ccc3C)o2)cc1 ZINC000003437336 564158133 /nfs/dbraw/zinc/15/81/33/564158133.db2.gz XVTVWAFUNATCNE-UHFFFAOYSA-N 0 0 337.350 4.849 50 0 EJAARN O=C(c1ccccc1)c1ccc(C(=O)N2CCCc3ccccc32)cc1 ZINC000003451359 564158205 /nfs/dbraw/zinc/15/82/05/564158205.db2.gz GBAVJPXTGCOILK-UHFFFAOYSA-N 0 0 341.410 4.511 50 0 EJAARN C[C@H](Oc1ccccc1-c1ccccc1)C(=O)N1CCc2ccccc21 ZINC000003477403 564158359 /nfs/dbraw/zinc/15/83/59/564158359.db2.gz HJYNHBVSFYFJES-KRWDZBQOSA-N 0 0 343.426 4.710 50 0 EJAARN COc1ccccc1Nc1nnc(SCc2ccccc2F)s1 ZINC000003494554 564158447 /nfs/dbraw/zinc/15/84/47/564158447.db2.gz NXCPMICTKMDTJB-UHFFFAOYSA-N 0 0 347.440 4.722 50 0 EJAARN COc1ccc(NC(=O)CSc2ccc(C)cc2C)cc1Cl ZINC000003499467 564158502 /nfs/dbraw/zinc/15/85/02/564158502.db2.gz QVWZTSLHFJEVIC-UHFFFAOYSA-N 0 0 335.856 4.696 50 0 EJAARN O=c1cc(CSc2ccc(F)cc2)c2cc3c(cc2o1)CCC3 ZINC000003518113 564158656 /nfs/dbraw/zinc/15/86/56/564158656.db2.gz CRKGRCRUAHVWAX-UHFFFAOYSA-N 0 0 326.392 4.713 50 0 EJAARN CSc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c1 ZINC000003548726 564158883 /nfs/dbraw/zinc/15/88/83/564158883.db2.gz GCDOYHWGOOPQFV-GFCCVEGCSA-N 0 0 335.856 4.776 50 0 EJAARN Cc1cc(F)ccc1NC(=O)c1csc(-c2ncccc2Cl)n1 ZINC000133356449 564159204 /nfs/dbraw/zinc/15/92/04/564159204.db2.gz SRFFNFONOYZJBG-UHFFFAOYSA-N 0 0 347.802 4.558 50 0 EJAARN Cc1sc(-c2ccco2)nc1C(=O)N1CC[C@@H](C)c2ccccc21 ZINC000031781022 564159821 /nfs/dbraw/zinc/15/98/21/564159821.db2.gz AUWGHGBGTOMIKD-GFCCVEGCSA-N 0 0 338.432 4.866 50 0 EJAARN CC(C)=C[C@@H]1[C@H](C(=O)Nc2cccc(-c3ccnc(C)n3)c2)C1(C)C ZINC000031800556 564159862 /nfs/dbraw/zinc/15/98/62/564159862.db2.gz PVMHWBYPJBYGBG-IEBWSBKVSA-N 0 0 335.451 4.629 50 0 EJAARN CC(C)=C[C@H]1[C@H](C(=O)Nc2cccc(-c3ccnc(C)n3)c2)C1(C)C ZINC000031800560 564159864 /nfs/dbraw/zinc/15/98/64/564159864.db2.gz PVMHWBYPJBYGBG-PKOBYXMFSA-N 0 0 335.451 4.629 50 0 EJAARN CC[C@](C)(CCN(C(C)=O)[C@@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000032069928 564160585 /nfs/dbraw/zinc/16/05/85/564160585.db2.gz ZSQRPKOQHBLCNT-TZIWHRDSSA-N 0 0 331.500 4.551 50 0 EJAARN O=C(Nc1ccc2cc[nH]c2c1)c1cc(-n2cccc2)ccc1Cl ZINC000032072796 564160599 /nfs/dbraw/zinc/16/05/99/564160599.db2.gz MXNHQLRQZQETMT-UHFFFAOYSA-N 0 0 335.794 4.864 50 0 EJAARN CC(=O)N(CC[C@H](c1ccco1)C(C)(C)C)[C@@H]1CCOC(C)(C)C1 ZINC000032096877 564160772 /nfs/dbraw/zinc/16/07/72/564160772.db2.gz XMLBGUYFJDHQGR-IAGOWNOFSA-N 0 0 335.488 4.606 50 0 EJAARN O=C(N(Cc1ccc2cc[nH]c2c1)C1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000032104888 564160819 /nfs/dbraw/zinc/16/08/19/564160819.db2.gz RUMSWFLRLLNHPB-UHFFFAOYSA-N 0 0 348.490 4.875 50 0 EJAARN O=C(COc1ccccc1)Nc1ccccc1-c1nc2ccccc2o1 ZINC000004135316 564160834 /nfs/dbraw/zinc/16/08/34/564160834.db2.gz VYFXIHZDLVPUML-UHFFFAOYSA-N 0 0 344.370 4.512 50 0 EJAARN O=C(Nc1nc2c(s1)CCCC2)c1cc(Cl)sc1Cl ZINC000004173441 564160995 /nfs/dbraw/zinc/16/09/95/564160995.db2.gz BLKGREJHNAQIED-UHFFFAOYSA-N 0 0 333.265 4.643 50 0 EJAARN CCCC(=O)Nc1c2ccccc2oc1C(=O)Nc1ccc(C)cc1 ZINC000004162564 564161002 /nfs/dbraw/zinc/16/10/02/564161002.db2.gz RHPWKGNLWOBTCD-UHFFFAOYSA-N 0 0 336.391 4.732 50 0 EJAARN Cc1cccc2[nH]cc(C3=CCN(C(=O)CCc4ccccc4)CC3)c21 ZINC000032318580 564161191 /nfs/dbraw/zinc/16/11/91/564161191.db2.gz VOAAYFQIRFELRF-UHFFFAOYSA-N 0 0 344.458 4.725 50 0 EJAARN COCc1cccc(C(=O)N[C@H](c2cccs2)C2CCCC2)c1 ZINC000032396937 564161299 /nfs/dbraw/zinc/16/12/99/564161299.db2.gz SMHYLNRRSUNGSX-SFHVURJKSA-N 0 0 329.465 4.556 50 0 EJAARN CC(C)c1ccc(C[C@@H]2CC[N@H+](Cc3cccc(C(=O)[O-])c3)C2)cc1 ZINC000263406890 564161503 /nfs/dbraw/zinc/16/15/03/564161503.db2.gz KEDMUYAYFSHYEK-IBGZPJMESA-N 0 0 337.463 4.573 50 0 EJAARN COc1cc(Cl)c(C)cc1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000007983560 564161792 /nfs/dbraw/zinc/16/17/92/564161792.db2.gz OSNNHCNJYGKTDR-UHFFFAOYSA-N 0 0 343.732 4.928 50 0 EJAARN CC(C)c1ccc(-c2nnc(NC(=O)[C@@H]3CC=CCC3)s2)cc1 ZINC000007987319 564161866 /nfs/dbraw/zinc/16/18/66/564161866.db2.gz QCAUXEWNLYMUJE-CQSZACIVSA-N 0 0 327.453 4.623 50 0 EJAARN C[C@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)s1)c1cccnc1 ZINC000007987414 564161904 /nfs/dbraw/zinc/16/19/04/564161904.db2.gz NUDSFWPBIBNVMI-LBPRGKRZSA-N 0 0 342.851 4.955 50 0 EJAARN Cc1c2cccc(Cl)c2oc1C(=O)N(C)Cc1cccc(F)c1 ZINC000007989529 564161968 /nfs/dbraw/zinc/16/19/68/564161968.db2.gz DCJPSRZFPFLVPQ-UHFFFAOYSA-N 0 0 331.774 4.806 50 0 EJAARN COc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3)cs2)cc1 ZINC000008007523 564162104 /nfs/dbraw/zinc/16/21/04/564162104.db2.gz IVMHFDFMPWLNLP-UHFFFAOYSA-N 0 0 344.823 4.724 50 0 EJAARN CSc1ccc(-c2nc3cnccn3c2NC2CCCCC2)cc1 ZINC000008019294 564162165 /nfs/dbraw/zinc/16/21/65/564162165.db2.gz HQUJMXZSWOIGFN-UHFFFAOYSA-N 0 0 338.480 4.863 50 0 EJAARN CC(C)[C@H]([NH2+]C1CCC(C(=O)[O-])CC1)c1cccc(C(F)(F)F)c1 ZINC000263443943 564162199 /nfs/dbraw/zinc/16/21/99/564162199.db2.gz XHPKRLDFTODBJB-MOQPWLNLSA-N 0 0 343.389 4.636 50 0 EJAARN CC(C)[C@H]([NH2+]C1CCC(C(=O)[O-])CC1)c1ccc(C(C)(C)C)cc1 ZINC000263490477 564162241 /nfs/dbraw/zinc/16/22/41/564162241.db2.gz QYWGEAQESOFCML-KVZIAJEVSA-N 0 0 331.500 4.914 50 0 EJAARN C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)c1cc2ccccc2o1 ZINC000008062424 564162454 /nfs/dbraw/zinc/16/24/54/564162454.db2.gz JWBDSUZMPKKDQY-LLVKDONJSA-N 0 0 333.309 4.943 50 0 EJAARN C[C@@H](NC(=O)c1ccc(Br)cc1)c1cc2ccccc2o1 ZINC000008062416 564162459 /nfs/dbraw/zinc/16/24/59/564162459.db2.gz JVVGHRMLTQDULH-LLVKDONJSA-N 0 0 344.208 4.686 50 0 EJAARN CCOc1ccccc1NC(=O)c1csc(-c2ccc(C)cc2)n1 ZINC000008061016 564162468 /nfs/dbraw/zinc/16/24/68/564162468.db2.gz IMFAPYLUTQGUNO-UHFFFAOYSA-N 0 0 338.432 4.770 50 0 EJAARN CN(Cc1ccco1)c1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000008063925 564162476 /nfs/dbraw/zinc/16/24/76/564162476.db2.gz OXPFLCYCWLKMKT-UHFFFAOYSA-N 0 0 339.395 4.727 50 0 EJAARN COc1ccc2cc([C@H](C)C(=O)Nc3cccc(C(C)=O)c3)ccc2c1 ZINC000008076716 564162576 /nfs/dbraw/zinc/16/25/76/564162576.db2.gz HJLGRYBVDPQPHQ-AWEZNQCLSA-N 0 0 347.414 4.793 50 0 EJAARN COC(=O)c1c(C)[nH]c(-c2nc(-c3ccsc3)sc2C)c1C ZINC000008102710 564162674 /nfs/dbraw/zinc/16/26/74/564162674.db2.gz JETLLQFJIGPNMB-UHFFFAOYSA-N 0 0 332.450 4.579 50 0 EJAARN COc1c(Cl)cc(C(=O)Nc2cc(F)ccc2C)cc1Cl ZINC000008122900 564162890 /nfs/dbraw/zinc/16/28/90/564162890.db2.gz DCYSAZRMUITYCL-UHFFFAOYSA-N 0 0 328.170 4.702 50 0 EJAARN Cc1cccc2nc(C(=O)Nc3ccccc3-c3ccccc3)cn21 ZINC000008135838 564163132 /nfs/dbraw/zinc/16/31/32/564163132.db2.gz IKOJCJGEAOAOED-UHFFFAOYSA-N 0 0 327.387 4.562 50 0 EJAARN Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2[C@@H](C)c2ccccc2)o1 ZINC000008160161 564163245 /nfs/dbraw/zinc/16/32/45/564163245.db2.gz NPBZZUSYPKCCOE-MGPUTAFESA-N 0 0 332.403 4.916 50 0 EJAARN O=C1N[C@@H](c2c3ccccc3[nH]c2-c2ccccc2)Nc2ccccc21 ZINC000008160948 564163276 /nfs/dbraw/zinc/16/32/76/564163276.db2.gz FIXPZKGKPGMBJP-NRFANRHFSA-N 0 0 339.398 4.689 50 0 EJAARN O=C1N[C@H](c2c3ccccc3[nH]c2-c2ccccc2)Nc2ccccc21 ZINC000008160944 564163280 /nfs/dbraw/zinc/16/32/80/564163280.db2.gz FIXPZKGKPGMBJP-OAQYLSRUSA-N 0 0 339.398 4.689 50 0 EJAARN Cc1cc(-c2csc(NC3CCCC3)n2)c(C)n1C[C@H]1CCCO1 ZINC000008192287 564163489 /nfs/dbraw/zinc/16/34/89/564163489.db2.gz VVHQRSCDGUTUJC-MRXNPFEDSA-N 0 0 345.512 4.762 50 0 EJAARN Cc1nnc(S[C@H](C)c2ccc(F)cc2)n1-c1ccc(C)cc1 ZINC000008232943 564163749 /nfs/dbraw/zinc/16/37/49/564163749.db2.gz RNCJKISOEFVRSO-CYBMUJFWSA-N 0 0 327.428 4.877 50 0 EJAARN O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1cc2ccccc2o1 ZINC000008263137 564163873 /nfs/dbraw/zinc/16/38/73/564163873.db2.gz ZMGFLPZLPXXQBN-SFHVURJKSA-N 0 0 325.795 4.967 50 0 EJAARN Cc1nc2cc(NC(=O)c3cc4c(s3)CCCCC4)ccc2o1 ZINC000008269281 564163896 /nfs/dbraw/zinc/16/38/96/564163896.db2.gz DOLWCSKMKSHAKF-UHFFFAOYSA-N 0 0 326.421 4.719 50 0 EJAARN Cc1cc(Cl)ccc1NC=C1N=C(c2ccc(Cl)cc2)OC1=O ZINC000008301209 564164128 /nfs/dbraw/zinc/16/41/28/564164128.db2.gz HHGIVNKDBSHKTB-DHDCSXOGSA-N 0 0 347.201 4.559 50 0 EJAARN Cn1c(SCc2cscn2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000008313597 564164217 /nfs/dbraw/zinc/16/42/17/564164217.db2.gz YMDGYNHDAIOPAU-UHFFFAOYSA-N 0 0 344.509 4.528 50 0 EJAARN COc1ccccc1-c1nc(-c2ccc3c(c2)OCCCO3)cs1 ZINC000008316252 564164261 /nfs/dbraw/zinc/16/42/61/564164261.db2.gz RRUBENFAYAIABO-UHFFFAOYSA-N 0 0 339.416 4.647 50 0 EJAARN COc1ccc(NC(=O)CCc2nc3ccccc3s2)cc1Cl ZINC000008346721 564164671 /nfs/dbraw/zinc/16/46/71/564164671.db2.gz RPDVSBNVULYGJV-UHFFFAOYSA-N 0 0 346.839 4.530 50 0 EJAARN O[C@H](c1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccccc1 ZINC000008361801 564164746 /nfs/dbraw/zinc/16/47/46/564164746.db2.gz FVLUDMCQFDMOIO-FQEVSTJZSA-N 0 0 348.833 4.820 50 0 EJAARN Cc1oc(-c2cccs2)nc1C(=O)N(Cc1ccsc1)C1CC1 ZINC000067075091 564164938 /nfs/dbraw/zinc/16/49/38/564164938.db2.gz DMZCIHMDYOYZNU-UHFFFAOYSA-N 0 0 344.461 4.578 50 0 EJAARN O=C(CN(c1ccc(Cl)cc1)C1=NCCCC1)c1cccs1 ZINC000008419607 564165196 /nfs/dbraw/zinc/16/51/96/564165196.db2.gz UYJVFEWXXSGYEQ-UHFFFAOYSA-N 0 0 332.856 4.673 50 0 EJAARN C[C@H](Sc1nncn1-c1cccc(Cl)c1)c1ccc(F)cc1 ZINC000008427798 564165236 /nfs/dbraw/zinc/16/52/36/564165236.db2.gz WHLLFTRPSKNYTQ-NSHDSACASA-N 0 0 333.819 4.913 50 0 EJAARN Cc1nnc(S[C@H](C)c2ccc(F)cc2)n1-c1cccc(C)c1 ZINC000008427793 564165248 /nfs/dbraw/zinc/16/52/48/564165248.db2.gz VNZAMDUUMABYJJ-CYBMUJFWSA-N 0 0 327.428 4.877 50 0 EJAARN O=C(Nc1nc(-c2cccnc2)cs1)Nc1cccc(Cl)c1 ZINC000008429381 564165271 /nfs/dbraw/zinc/16/52/71/564165271.db2.gz WYFSSGFDVUOWLK-UHFFFAOYSA-N 0 0 330.800 4.503 50 0 EJAARN C[C@@H](NC(=O)c1oc2ccccc2c1COc1ccccc1)C1CC1 ZINC000008429774 564165318 /nfs/dbraw/zinc/16/53/18/564165318.db2.gz AOIPCKOBWYIZEK-CQSZACIVSA-N 0 0 335.403 4.540 50 0 EJAARN CCc1nc2ccccc2c(C(=O)OCc2nc3ccccc3o2)c1C ZINC000008525441 564165597 /nfs/dbraw/zinc/16/55/97/564165597.db2.gz SFANDJQBGISZRW-UHFFFAOYSA-N 0 0 346.386 4.604 50 0 EJAARN Cc1ccc2oc(/C=C/C(=O)NCc3ccccc3Cl)cc2c1 ZINC000067339685 564165680 /nfs/dbraw/zinc/16/56/80/564165680.db2.gz GLUSDOAAJVHVQZ-VQHVLOKHSA-N 0 0 325.795 4.724 50 0 EJAARN O=C(Nc1ccccc1)N(Cc1cccc(Cl)c1)c1ccccn1 ZINC000008614996 564166114 /nfs/dbraw/zinc/16/61/14/564166114.db2.gz SWVDWLHHQALOAN-UHFFFAOYSA-N 0 0 337.810 4.974 50 0 EJAARN Fc1ccccc1OCc1nc2ccccc2n1CCc1ccccc1 ZINC000008642866 564166169 /nfs/dbraw/zinc/16/61/69/564166169.db2.gz ZDKSMAKBBXGWSB-UHFFFAOYSA-N 0 0 346.405 4.997 50 0 EJAARN CCC(=O)Nc1ccc2nc(SCc3ccccc3)sc2c1 ZINC000008673767 564166276 /nfs/dbraw/zinc/16/62/76/564166276.db2.gz HLPZQPVXFPAMFI-UHFFFAOYSA-N 0 0 328.462 4.937 50 0 EJAARN O=C(Cc1ccccc1Cl)Nc1ccc(-c2nccs2)cc1 ZINC000008707043 564166494 /nfs/dbraw/zinc/16/64/94/564166494.db2.gz ZAKBONNYXROWLP-UHFFFAOYSA-N 0 0 328.824 4.645 50 0 EJAARN O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccc(Cl)cc1F ZINC000008748801 564167230 /nfs/dbraw/zinc/16/72/30/564167230.db2.gz NXVRZSOYSGCSHI-UHFFFAOYSA-N 0 0 345.801 4.569 50 0 EJAARN COc1ccc2oc(/C=C(\C)N(C)C)c(C(=O)c3ccccc3)c2c1 ZINC000039931784 564167700 /nfs/dbraw/zinc/16/77/00/564167700.db2.gz VQPWGJOYFYMZOU-WYMLVPIESA-N 0 0 335.403 4.595 50 0 EJAARN COc1ccc(C)cc1N[C@H](C)c1nc2ccccc2n1C(F)F ZINC000040086331 564167934 /nfs/dbraw/zinc/16/79/34/564167934.db2.gz BSCWANGYOPKFCW-GFCCVEGCSA-N 0 0 331.366 4.922 50 0 EJAARN COCc1ccccc1NC(=O)N[C@@H](c1cccs1)C1CCCC1 ZINC000040105592 564168074 /nfs/dbraw/zinc/16/80/74/564168074.db2.gz BITDWBSYOHCRGR-GOSISDBHSA-N 0 0 344.480 4.948 50 0 EJAARN CC(=O)c1cn(CCC(=O)N[C@H](C)CCCC(C)C)c2ccccc12 ZINC000040309524 564168684 /nfs/dbraw/zinc/16/86/84/564168684.db2.gz RDYAAEDQCOASAG-MRXNPFEDSA-N 0 0 342.483 4.565 50 0 biogenic EJAARN CSCc1nnc(S[C@@H](C)c2ccc(C(F)(F)F)cc2)o1 ZINC000069531201 564170258 /nfs/dbraw/zinc/17/02/58/564170258.db2.gz KEWFXGJWFIOWGG-QMMMGPOBSA-N 0 0 334.388 4.805 50 0 EJAARN CC(C)(NCc1nnc(-c2ccccc2)o1)c1ccc(F)cc1Cl ZINC000069699105 564171554 /nfs/dbraw/zinc/17/15/54/564171554.db2.gz MHSJAJIHUWQRST-UHFFFAOYSA-N 0 0 345.805 4.554 50 0 EJAARN O=[S@@](Cc1csc(C2CCCC2)n1)Cc1ccc(Cl)s1 ZINC000069813110 564172327 /nfs/dbraw/zinc/17/23/27/564172327.db2.gz VLXBFRJEQBPJFO-HXUWFJFHSA-N 0 0 345.942 4.965 50 0 EJAARN COc1ccc(C)cc1C[S@](=O)Cc1csc(C2CCCC2)n1 ZINC000069845323 564172477 /nfs/dbraw/zinc/17/24/77/564172477.db2.gz JQXIOIFKCFLLAW-HSZRJFAPSA-N 0 0 349.521 4.567 50 0 EJAARN Cc1c2c(cc3c4c(c(=O)oc13)CCC4)C=C[C@@]1(CCC[C@@H](C)C1)O2 ZINC000009340860 564172849 /nfs/dbraw/zinc/17/28/49/564172849.db2.gz YBQWDODECSFRAJ-MCMMXHMISA-N 0 0 336.431 4.945 50 0 EJAARN Cc1nc(C)c(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)s1 ZINC000009363890 564172972 /nfs/dbraw/zinc/17/29/72/564172972.db2.gz PMQGGUHPHJTFHW-UHFFFAOYSA-N 0 0 346.839 4.603 50 0 EJAARN O=C(Nc1ccncc1)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000070003781 564173185 /nfs/dbraw/zinc/17/31/85/564173185.db2.gz DHBYZKSSDBVDBI-HXUWFJFHSA-N 0 0 343.386 4.739 50 0 EJAARN O=C(Nc1ccc(-c2cc[nH]n2)cc1)N1CCC[C@@H]1c1ccsc1 ZINC000070037198 564173407 /nfs/dbraw/zinc/17/34/07/564173407.db2.gz PIXAHGPMSYVHML-QGZVFWFLSA-N 0 0 338.436 4.507 50 0 EJAARN Cc1ccc(/C=C/C(=O)N2CCC[C@H]2CCc2ccccc2)s1 ZINC000070040747 564173571 /nfs/dbraw/zinc/17/35/71/564173571.db2.gz PAOSNSYGOLBGJS-JKGDOXCYSA-N 0 0 325.477 4.694 50 0 EJAARN C[C@@H](C(=O)N1CCCC1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 ZINC000009420226 564173637 /nfs/dbraw/zinc/17/36/37/564173637.db2.gz APTMFYQJBMPVCJ-GFCCVEGCSA-N 0 0 326.827 4.700 50 0 EJAARN COc1ccccc1[C@H](C)NC(=O)c1cc(C2CC2)nc2ccccc21 ZINC000009514863 564173988 /nfs/dbraw/zinc/17/39/88/564173988.db2.gz GEMBXOXDBLEPTD-AWEZNQCLSA-N 0 0 346.430 4.612 50 0 EJAARN Cc1nn(-c2ccccc2)c2nc(C)c(-c3nc4ccccc4[nH]3)cc12 ZINC000009517187 564174009 /nfs/dbraw/zinc/17/40/09/564174009.db2.gz VHVSLZFDOJEGLV-UHFFFAOYSA-N 0 0 339.402 4.581 50 0 EJAARN O=C(Nc1ccc(F)cc1)c1cc2c(s1)-c1ccsc1CC2 ZINC000009777174 564174624 /nfs/dbraw/zinc/17/46/24/564174624.db2.gz SBSSOWYQXZGECE-UHFFFAOYSA-N 0 0 329.421 4.967 50 0 EJAARN COc1ccc(SCC(=O)Nc2ccc3sccc3c2)cc1 ZINC000010022817 564175034 /nfs/dbraw/zinc/17/50/34/564175034.db2.gz FWLCOBFFOXGKFE-UHFFFAOYSA-N 0 0 329.446 4.641 50 0 EJAARN C[C@H](Sc1nnc(C(C)(C)C)o1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000042570034 564175049 /nfs/dbraw/zinc/17/50/49/564175049.db2.gz JLOKYDZZFOOTQO-NZWMYCLXSA-N 0 0 348.512 4.633 50 0 EJAARN COc1ccc(N(C(=O)Nc2ccccc2)C2=NCCC2)cc1Cl ZINC000010165953 564175075 /nfs/dbraw/zinc/17/50/75/564175075.db2.gz SDJOBHOVEHPEAH-UHFFFAOYSA-N 0 0 343.814 4.579 50 0 EJAARN COc1cccc([C@H]2CCCN2C(=O)Nc2ccc3[nH]ccc3c2)c1 ZINC000071803344 564175544 /nfs/dbraw/zinc/17/55/44/564175544.db2.gz DTSLPTSTZRJSHT-LJQANCHMSA-N 0 0 335.407 4.546 50 0 EJAARN Cc1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1Cl ZINC000010408703 564175631 /nfs/dbraw/zinc/17/56/31/564175631.db2.gz RTTPAEOGWIUDHI-UHFFFAOYSA-N 0 0 340.810 4.875 50 0 EJAARN CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)c1csc(C)n1 ZINC000071832990 564175757 /nfs/dbraw/zinc/17/57/57/564175757.db2.gz OMVSLQDHWGHHOT-LBPRGKRZSA-N 0 0 344.480 4.783 50 0 EJAARN CCN(CCC(F)(F)F)C(=O)Nc1cccc(-c2nccs2)c1 ZINC000071857008 564176061 /nfs/dbraw/zinc/17/60/61/564176061.db2.gz BLRGCLCQQPREMS-UHFFFAOYSA-N 0 0 343.374 4.616 50 0 EJAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)Nc1cccc2[nH]ccc21 ZINC000071856560 564176079 /nfs/dbraw/zinc/17/60/79/564176079.db2.gz OOVKUCRSTYDSOY-UHFFFAOYSA-N 0 0 345.406 4.614 50 0 EJAARN CCOCc1ccccc1NC(=O)N1CCCCC[C@H]1c1ccco1 ZINC000077282295 564176676 /nfs/dbraw/zinc/17/66/76/564176676.db2.gz SEHUDSHUZNAMAT-SFHVURJKSA-N 0 0 342.439 4.965 50 0 EJAARN Cc1cc(C)c(NC(=O)c2csc(-c3ccsc3)n2)c(Cl)n1 ZINC000078000722 564176869 /nfs/dbraw/zinc/17/68/69/564176869.db2.gz HVFAZQKZKQRCCU-UHFFFAOYSA-N 0 0 349.868 4.789 50 0 EJAARN COc1ccc(-c2cn3nc(-c4ccccc4)n4c3c2CCCC4)cc1 ZINC000000390376 568414591 /nfs/dbraw/zinc/41/45/91/568414591.db2.gz MNMPLEPNFPKJJI-UHFFFAOYSA-N 0 0 343.430 4.815 50 0 EJAARN Cc1nc2ccc(NC(=O)N3CC[C@@H](c4ccccc4)C3)cc2s1 ZINC000000619116 568418088 /nfs/dbraw/zinc/41/80/88/568418088.db2.gz XIKIYUFWADFRIU-OAHLLOKOSA-N 0 0 337.448 4.626 50 0 EJAARN Cc1cc([C@@H](C)N[C@@H](C)c2nnc(-c3cccc(F)c3)s2)c(C)o1 ZINC000225577226 568423043 /nfs/dbraw/zinc/42/30/43/568423043.db2.gz YSKCVVDJLTYHON-NEPJUHHUSA-N 0 0 345.443 4.966 50 0 EJAARN Cc1nn(-c2ccc(Cl)cc2)c2nc(C)cc(C(F)(F)F)c12 ZINC000004743564 210267779 /nfs/dbraw/zinc/26/77/79/210267779.db2.gz MYPBOKQMCUKTRF-UHFFFAOYSA-N 0 0 325.721 4.710 50 0 EJAARN Cn1c2ccccc2nc1SCC(=O)c1ccc(C(C)(C)C)cc1 ZINC000004740833 210266467 /nfs/dbraw/zinc/26/64/67/210266467.db2.gz UTPBALNNXSAZFR-UHFFFAOYSA-N 0 0 338.476 4.846 50 0 EJAARN CC(C)c1ccc([C@H](O)CN2c3cccc4cccc(c34)C2=O)cc1 ZINC000051289184 214086258 /nfs/dbraw/zinc/08/62/58/214086258.db2.gz HCVOHJBPKGCYNR-HXUWFJFHSA-N 0 0 331.415 4.657 50 0 EJAARN CCCCc1ccc(NC(=O)Nc2ccc(C(=O)OCC)cc2)cc1 ZINC000051354266 214089763 /nfs/dbraw/zinc/08/97/63/214089763.db2.gz NYXCJYHHZPNYLR-UHFFFAOYSA-N 0 0 340.423 4.850 50 0 EJAARN CCCCOC(=O)c1ccc(NC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000051354154 214090152 /nfs/dbraw/zinc/09/01/52/214090152.db2.gz IJAZJNHOXNJTEN-UHFFFAOYSA-N 0 0 340.423 4.904 50 0 EJAARN Cc1cc(C)n2cc(CSC3=Nc4ccccc4CS3)nc2n1 ZINC000052463458 214129248 /nfs/dbraw/zinc/12/92/48/214129248.db2.gz YHPXNKDFCOCAOK-UHFFFAOYSA-N 0 0 340.477 4.514 50 0 EJAARN CCn1c(C)c(C)c2cc(C(=O)NCc3cccc(Cl)c3)ccc21 ZINC000006912352 201704907 /nfs/dbraw/zinc/70/49/07/201704907.db2.gz UNNRTAGUSSTLMW-UHFFFAOYSA-N 0 0 340.854 4.861 50 0 EJAARN O=C(CCCC1CCCCC1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000053356907 214179149 /nfs/dbraw/zinc/17/91/49/214179149.db2.gz KSWKLHXNPSLSMZ-LJQANCHMSA-N 0 0 339.483 4.977 50 0 EJAARN Cc1cc2ccccc2n1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000004711053 210255765 /nfs/dbraw/zinc/25/57/65/210255765.db2.gz ARESXJSKIOBVCT-UHFFFAOYSA-N 0 0 332.325 4.607 50 0 EJAARN CCc1ccc(NC(=O)c2sc3nc(C)c(C)c(C)c3c2N)cc1 ZINC000004708770 210254978 /nfs/dbraw/zinc/25/49/78/210254978.db2.gz RMRMXFYOHSUPPH-UHFFFAOYSA-N 0 0 339.464 4.618 50 0 EJAARN O=C(Nc1ccc(Cc2ccccn2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000004708840 210254246 /nfs/dbraw/zinc/25/42/46/210254246.db2.gz BRBMKJOLSUAHOU-UHFFFAOYSA-N 0 0 346.474 4.827 50 0 EJAARN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccccc1F ZINC000004703989 210253430 /nfs/dbraw/zinc/25/34/30/210253430.db2.gz OSUGGYNGQRAAPP-VOTSOKGWSA-N 0 0 340.181 4.793 50 0 EJAARN N=C1S/C(=C\c2ccc(O)cc2)C(=O)N1c1cccc2ccccc21 ZINC000004698856 210252172 /nfs/dbraw/zinc/25/21/72/210252172.db2.gz BUZVRTZBDWEISJ-MORMLQEESA-N 0 0 346.411 4.601 50 0 EJAARN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1nc2c(s1)CCCC2 ZINC000004698428 210251752 /nfs/dbraw/zinc/25/17/52/210251752.db2.gz UMFWNYDQUJOKDF-UHFFFAOYSA-N 0 0 330.497 4.567 50 0 EJAARN COc1ccc(CCNc2nc(-c3cccs3)cs2)cc1OC ZINC000004699564 210251754 /nfs/dbraw/zinc/25/17/54/210251754.db2.gz YNJLFTZHUBWJKQ-UHFFFAOYSA-N 0 0 346.477 4.543 50 0 EJAARN O=C(Nc1cccc(Cl)c1)c1ccc(COc2ccccc2)o1 ZINC000004699456 210251793 /nfs/dbraw/zinc/25/17/93/210251793.db2.gz WRQHQPKOTGKLOZ-UHFFFAOYSA-N 0 0 327.767 4.764 50 0 EJAARN Cc1ccc(C)c([C@H](NC(=O)/C=C/c2ccco2)c2ccccc2)c1 ZINC000004695532 210250972 /nfs/dbraw/zinc/25/09/72/210250972.db2.gz HKKNVLRXLCFERP-CHHLAKQQSA-N 0 0 331.415 4.815 50 0 EJAARN COc1ccc2c(c1)oc(C(=O)Nc1ccccn1)c2-c1ccccc1 ZINC000055128430 214278136 /nfs/dbraw/zinc/27/81/36/214278136.db2.gz PYIBXFYCKUNDKJ-UHFFFAOYSA-N 0 0 344.370 4.756 50 0 EJAARN Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1Cc1ccco1 ZINC000004696044 210250212 /nfs/dbraw/zinc/25/02/12/210250212.db2.gz NXWDKONGXXUYJF-OAQYLSRUSA-N 0 0 342.398 4.815 50 0 EJAARN COc1ccc2c(c1)oc(C(=O)Nc1ccncc1)c2-c1ccccc1 ZINC000055157872 214280769 /nfs/dbraw/zinc/28/07/69/214280769.db2.gz IQACHHNQHRYYJJ-UHFFFAOYSA-N 0 0 344.370 4.756 50 0 EJAARN Cc1ccsc1CNc1ccccc1C(=O)N(C)Cc1ccoc1 ZINC000055252512 214295590 /nfs/dbraw/zinc/29/55/90/214295590.db2.gz NEDBHWPXQREFDP-UHFFFAOYSA-N 0 0 340.448 4.534 50 0 EJAARN O=C(/C=C/c1cccc2cccnc12)N1CCC[C@H]1c1ccc(F)cc1 ZINC000055541202 214328126 /nfs/dbraw/zinc/32/81/26/214328126.db2.gz LSGJKFAOSYEAIS-YPNIWSFNSA-N 0 0 346.405 4.751 50 0 EJAARN CC1=C(C(=O)Nc2cccc(Cl)c2C)C2(CCCCCC2)OC1=O ZINC000006932998 201706568 /nfs/dbraw/zinc/70/65/68/201706568.db2.gz NAUJICFMGJTCDZ-UHFFFAOYSA-N 0 0 347.842 4.553 50 0 biogenic EJAARN O=C(C=C1CCCCC1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000055981765 214351752 /nfs/dbraw/zinc/35/17/52/214351752.db2.gz KWNNUQVZILBRCT-UHFFFAOYSA-N 0 0 340.448 4.829 50 0 EJAARN O=C(Nc1cccc2ccccc21)N(Cc1cccc(O)c1)C1CC1 ZINC000056327724 214370568 /nfs/dbraw/zinc/37/05/68/214370568.db2.gz BVKBQSCWCDFUHS-UHFFFAOYSA-N 0 0 332.403 4.742 50 0 EJAARN O=C(NCc1ccc(C(F)(F)F)cc1)c1cc2c(s1)CCCC2 ZINC000057416281 214427567 /nfs/dbraw/zinc/42/75/67/214427567.db2.gz MYYYHIRZIFUMSI-UHFFFAOYSA-N 0 0 339.382 4.576 50 0 EJAARN CCCCOc1ccc(C(=O)Nc2ccc(Br)cc2)cc1 ZINC000004672219 210243331 /nfs/dbraw/zinc/24/33/31/210243331.db2.gz PMRHWGLAIHYZPU-UHFFFAOYSA-N 0 0 348.240 4.880 50 0 EJAARN S=C1N=C2C(=Cc3ccccc3)CCCC2[C@@H](c2ccccc2)N1 ZINC000057531540 214435198 /nfs/dbraw/zinc/43/51/98/214435198.db2.gz OIWFTKSWHDPJCN-RBAUTDOXSA-N 0 0 332.472 4.727 50 0 EJAARN CC[C@@H]1c2ccsc2CCN1C(=O)CCc1ncc(C(C)(C)C)o1 ZINC000187073350 529486512 /nfs/dbraw/zinc/48/65/12/529486512.db2.gz DAMIQFCYHIKYEK-CQSZACIVSA-N 0 0 346.496 4.502 50 0 EJAARN COc1ccc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)c(OC)c1 ZINC000004666399 210241690 /nfs/dbraw/zinc/24/16/90/210241690.db2.gz BDVVLBJFYMRCKC-HNNXBMFYSA-N 0 0 341.451 4.645 50 0 EJAARN CCCCOc1ccc(C(=O)Nc2nc(C)c(SC)s2)cc1 ZINC000058098177 214478585 /nfs/dbraw/zinc/47/85/85/214478585.db2.gz JPXHAEACWRSRGL-UHFFFAOYSA-N 0 0 336.482 4.605 50 0 EJAARN Cc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)c(O)c1 ZINC000004666594 210241202 /nfs/dbraw/zinc/24/12/02/210241202.db2.gz DXFBMVMPPIQBOA-UHFFFAOYSA-N 0 0 331.415 4.861 50 0 EJAARN C[C@H](Oc1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000004666624 210241045 /nfs/dbraw/zinc/24/10/45/210241045.db2.gz PBEYDLIUPWDCLX-INIZCTEOSA-N 0 0 333.387 4.885 50 0 EJAARN Cc1ccc(S(=O)(=O)Oc2cc(C)c(Cl)cc2C(C)C)cc1 ZINC000004659230 210240619 /nfs/dbraw/zinc/24/06/19/210240619.db2.gz IRNQOAFIRYEHCL-UHFFFAOYSA-N 0 0 338.856 4.848 50 0 EJAARN Clc1ccc(OCCn2c3ccccc3nc2-c2ccccn2)cc1 ZINC000004663342 210240588 /nfs/dbraw/zinc/24/05/88/210240588.db2.gz MNFPPZOQWWFSRW-UHFFFAOYSA-N 0 0 349.821 4.831 50 0 EJAARN Cc1ccc(NC(=O)[C@@H](C)SC/C=C/c2ccccc2)cc1F ZINC000058201689 214501702 /nfs/dbraw/zinc/50/17/02/214501702.db2.gz XYCCCVGJGWRBNA-RZIFZGNASA-N 0 0 329.440 4.908 50 0 EJAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCCCC[C@@H]1c1ccncc1 ZINC000049765227 214032212 /nfs/dbraw/zinc/03/22/12/214032212.db2.gz RLHWDKNRZIZIOV-QGZVFWFLSA-N 0 0 348.368 4.858 50 0 EJAARN O=c1nc(C(Cl)=Cc2cccc(F)c2)[nH]c2sc3c(c21)CCC3 ZINC000097993446 219066780 /nfs/dbraw/zinc/06/67/80/219066780.db2.gz ZNRCXSGBPVDTGO-XYOKQWHBSA-N 0 0 346.814 4.762 50 0 EJAARN Cc1ccn2cc(-c3cccc(NC(=O)Nc4ccccc4)c3)nc2c1 ZINC000004649870 210236858 /nfs/dbraw/zinc/23/68/58/210236858.db2.gz JJWWWCONWOBDHL-UHFFFAOYSA-N 0 0 342.402 4.954 50 0 EJAARN O=C(CCc1c[nH]c2ccccc12)NC1CCC(c2ccccc2)CC1 ZINC000058369508 214565202 /nfs/dbraw/zinc/56/52/02/214565202.db2.gz BOTPBJRSHURWLG-UHFFFAOYSA-N 0 0 346.474 4.943 50 0 EJAARN Clc1ccc(-c2csc(Nc3ccc4c(c3)OCCO4)n2)cc1 ZINC000058391771 214569164 /nfs/dbraw/zinc/56/91/64/214569164.db2.gz PLOPMRKSWYEVAL-UHFFFAOYSA-N 0 0 344.823 4.978 50 0 EJAARN Cc1cc(C)c(/C=C\C(=O)NCc2ncc(-c3ccccc3)o2)cc1C ZINC000098055091 219074269 /nfs/dbraw/zinc/07/42/69/219074269.db2.gz CQSCFABQHUEAPP-KTKRTIGZSA-N 0 0 346.430 4.596 50 0 EJAARN Cc1cccc(C)c1Oc1ccccc1NC(=O)/C=C\c1cnccn1 ZINC000098055208 219075182 /nfs/dbraw/zinc/07/51/82/219075182.db2.gz IPOXSDMAWGFNHJ-KHPPLWFESA-N 0 0 345.402 4.538 50 0 EJAARN CSc1ccccc1C(=O)Nc1nc2cc(C)c(C)cc2s1 ZINC000004586155 210228128 /nfs/dbraw/zinc/22/81/28/210228128.db2.gz UAKLLQNZBRTMHD-UHFFFAOYSA-N 0 0 328.462 4.887 50 0 EJAARN CCOC(=O)/C=C1\N[C@]2(C)CCCC[C@@H]2c2c3ccccc3ccc21 ZINC000004580284 210226413 /nfs/dbraw/zinc/22/64/13/210226413.db2.gz VAZRPGPBFIBQRT-FKKIBWROSA-N 0 0 335.447 4.763 50 0 EJAARN CC(C)c1cc(C(=O)N2CCC[C@@H]2CC(C)(C)C)nn1C(C)(C)C ZINC000061526474 214664539 /nfs/dbraw/zinc/66/45/39/214664539.db2.gz DFXZYCFJKLLXIO-OAHLLOKOSA-N 0 0 333.520 4.802 50 0 EJAARN O=C(/C(=C/c1ccccc1Cl)c1ccccc1)N1CCCCC1 ZINC000004543714 210218669 /nfs/dbraw/zinc/21/86/69/210218669.db2.gz SZDGCONVRWEAJV-OBGWFSINSA-N 0 0 325.839 4.893 50 0 EJAARN O=C(Nc1ccccc1)c1sc2ccccc2c1Br ZINC000004542595 210218428 /nfs/dbraw/zinc/21/84/28/210218428.db2.gz ABKMCGWLOOCDPQ-UHFFFAOYSA-N 0 0 332.222 4.916 50 0 EJAARN CCOC(=O)c1cn(-c2cc(Cl)ccc2C)nc1-c1ccccc1 ZINC000004542369 210218232 /nfs/dbraw/zinc/21/82/32/210218232.db2.gz NRFXLSPJHPSINU-UHFFFAOYSA-N 0 0 340.810 4.678 50 0 EJAARN O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)NCc1ccccc1 ZINC000004542973 210217394 /nfs/dbraw/zinc/21/73/94/210217394.db2.gz YQDMRCDQPQYMFT-ACCUITESSA-N 0 0 337.806 4.930 50 0 EJAARN COc1ccc(CCC(=O)Nc2ccc(C)c(Cl)c2)cc1Cl ZINC000004542191 210217434 /nfs/dbraw/zinc/21/74/34/210217434.db2.gz LEDSYTACWLAWJU-UHFFFAOYSA-N 0 0 338.234 4.882 50 0 EJAARN Cc1sc2c(c1C)C(=O)N[C@@H](c1ccc(-c3ccc(F)cc3)o1)N2 ZINC000004523668 210213889 /nfs/dbraw/zinc/21/38/89/210213889.db2.gz UAVYUPNXRYHKLR-MRXNPFEDSA-N 0 0 342.395 4.618 50 0 EJAARN CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@](C)(O)[C@H](O)CO ZINC000004521862 210214028 /nfs/dbraw/zinc/21/40/28/210214028.db2.gz CGIHFIDULQUVJG-HAGHYFMRSA-N 0 0 330.553 4.530 50 0 in-vitro EJAARN Cc1c2nc(NC(=O)CSc3ccccc3)sc2ccc1Cl ZINC000004496691 210203377 /nfs/dbraw/zinc/20/33/77/210203377.db2.gz GELGSWHIGGCMBV-UHFFFAOYSA-N 0 0 348.880 4.989 50 0 EJAARN Cc1ccc(SCC(=O)Nc2nc3c(s2)c(C)ccc3C)cc1 ZINC000004496501 210203216 /nfs/dbraw/zinc/20/32/16/210203216.db2.gz HWEIXLQJFLSXAX-UHFFFAOYSA-N 0 0 342.489 4.952 50 0 EJAARN Cc1c(C(=O)Nc2cccc(C)c2C)nnn1-c1ccc(C(C)C)cc1 ZINC000004484192 210200078 /nfs/dbraw/zinc/20/00/78/210200078.db2.gz PFQGWYQRIXHVAQ-UHFFFAOYSA-N 0 0 348.450 4.568 50 0 EJAARN O=C(OCc1csc(-c2ccccc2)n1)c1cc2c(s1)CCC2 ZINC000004462197 210195159 /nfs/dbraw/zinc/19/51/59/210195159.db2.gz RUUHKLOYALHBGD-UHFFFAOYSA-N 0 0 341.457 4.717 50 0 EJAARN Cc1c2ccccc2oc1C(=O)OCCCC(=O)c1ccc(F)cc1 ZINC000004462974 210194960 /nfs/dbraw/zinc/19/49/60/210194960.db2.gz FOKKJKQVDPJLRE-UHFFFAOYSA-N 0 0 340.350 4.700 50 0 EJAARN Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3C)cs2)n1C ZINC000064676548 214799630 /nfs/dbraw/zinc/79/96/30/214799630.db2.gz HOPVDJNTVLLKBE-UHFFFAOYSA-N 0 0 345.855 4.671 50 0 EJAARN Cc1ccc(CNc2ccc(-c3nc(-c4ccccc4)no3)cn2)cc1 ZINC000064676733 214800354 /nfs/dbraw/zinc/80/03/54/214800354.db2.gz BGFHWGOPJYYCJT-UHFFFAOYSA-N 0 0 342.402 4.719 50 0 EJAARN O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC[C@H]1c1ccsc1 ZINC000064621807 214797193 /nfs/dbraw/zinc/79/71/93/214797193.db2.gz MOQBDTFZBDWVPA-AWEZNQCLSA-N 0 0 343.345 4.883 50 0 EJAARN Clc1ccccc1OCCn1c2ccccc2nc1[C@H]1CCCO1 ZINC000004386868 210185852 /nfs/dbraw/zinc/18/58/52/210185852.db2.gz VMQOKSFTBFHFNJ-GOSISDBHSA-N 0 0 342.826 4.620 50 0 EJAARN CCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2CC)C1 ZINC000004384977 210185158 /nfs/dbraw/zinc/18/51/58/210185158.db2.gz HAXGYJMPVSYHMJ-QGZVFWFLSA-N 0 0 347.462 4.529 50 0 EJAARN CC[C@@H](NC(=O)c1sc2ccc(F)cc2c1OC)c1cccs1 ZINC000064756499 214802718 /nfs/dbraw/zinc/80/27/18/214802718.db2.gz CCFCFZIWWPZBBW-GFCCVEGCSA-N 0 0 349.452 4.992 50 0 EJAARN CCCn1c2ccccc2s/c1=N\C(=O)c1ccc(Cl)s1 ZINC000101061354 219115402 /nfs/dbraw/zinc/11/54/02/219115402.db2.gz NWSPBPKTJZJEEW-ICFOKQHNSA-N 0 0 336.869 4.569 50 0 EJAARN COc1ccccc1-c1nc(-c2ccc3c(c2)[C@H](C)C(=O)N3)cs1 ZINC000101089405 219115990 /nfs/dbraw/zinc/11/59/90/219115990.db2.gz IAIJWLNVDYHYEX-NSHDSACASA-N 0 0 336.416 4.541 50 0 EJAARN Cc1ccc(-c2noc3c2ncnc3Nc2ccc(Cl)cc2)cc1 ZINC000064820874 214807429 /nfs/dbraw/zinc/80/74/29/214807429.db2.gz UACBCLSJIAQZSY-UHFFFAOYSA-N 0 0 336.782 4.990 50 0 EJAARN Cc1ccc(C)c(Nc2c(C(=O)OC(C)C)cnc3nc(C)ccc32)c1 ZINC000065114254 214829699 /nfs/dbraw/zinc/82/96/99/214829699.db2.gz KOANMRSBSQOZRL-UHFFFAOYSA-N 0 0 349.434 4.864 50 0 EJAARN Cc1ccc(C)c2sc(NC(=O)c3ccc(OC(C)C)cc3)nc21 ZINC000004331419 210172970 /nfs/dbraw/zinc/17/29/70/210172970.db2.gz DFKDFUSEXXVNFI-UHFFFAOYSA-N 0 0 340.448 4.953 50 0 EJAARN CCn1cc2c3c1cccc3CN(C(=O)Nc1cccc(C)c1C)CC2 ZINC000065148980 214832001 /nfs/dbraw/zinc/83/20/01/214832001.db2.gz NJIWVWVEXCYYPC-UHFFFAOYSA-N 0 0 347.462 4.868 50 0 EJAARN Cc1nc2n(n1)[C@@H](c1ccccc1)CC(c1ccc3ccccc3c1)=N2 ZINC000101386538 219125046 /nfs/dbraw/zinc/12/50/46/219125046.db2.gz OVZNPZYQOZWUJU-OAQYLSRUSA-N 0 0 338.414 4.796 50 0 EJAARN CCCn1cc2c3c1cccc3CN(C(=O)CCc1ccccc1)CC2 ZINC000065148661 214832762 /nfs/dbraw/zinc/83/27/62/214832762.db2.gz MMCXGULOKPUPJK-UHFFFAOYSA-N 0 0 346.474 4.569 50 0 EJAARN Cc1cccc(-c2noc(COc3cc(C)c(Cl)c(C)c3)n2)c1 ZINC000004320589 210170348 /nfs/dbraw/zinc/17/03/48/210170348.db2.gz WZFUTZHRRIHHJC-UHFFFAOYSA-N 0 0 328.799 4.894 50 0 EJAARN Clc1ccc(-c2nn3c(nnc3-c3ccc(Cl)cc3)s2)cc1 ZINC000004323552 210170383 /nfs/dbraw/zinc/17/03/83/210170383.db2.gz OVMQHHSRMIOZLW-UHFFFAOYSA-N 0 0 347.230 4.827 50 0 EJAARN Cc1cccc(C(=O)N2N=C(c3ccccc3)C[C@H]2c2ccco2)c1 ZINC000004306626 210166712 /nfs/dbraw/zinc/16/67/12/210166712.db2.gz JNNMCACVEDMPGO-IBGZPJMESA-N 0 0 330.387 4.580 50 0 EJAARN CCOC(=O)c1sc(S[C@@H](C)CC)c2c1CC(C)(C)CC2=O ZINC000004286221 210161868 /nfs/dbraw/zinc/16/18/68/210161868.db2.gz AMPIBRMRXUZXOA-JTQLQIEISA-N 0 0 340.510 4.971 50 0 EJAARN CCOc1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1OC ZINC000008388109 201748194 /nfs/dbraw/zinc/74/81/94/201748194.db2.gz IUFZJMBGUFPCST-UHFFFAOYSA-N 0 0 345.782 4.746 50 0 EJAARN COc1ccc([C@@H]2CCCCCN2C(=O)c2cc3ccccc3[nH]2)cc1 ZINC000008394523 201748237 /nfs/dbraw/zinc/74/82/37/201748237.db2.gz HEYWRJRMTPYWBZ-NRFANRHFSA-N 0 0 348.446 4.934 50 0 EJAARN CC1CCC(NC(=O)c2ccc(C3SCCCS3)cc2)CC1 ZINC000008919388 201763279 /nfs/dbraw/zinc/76/32/79/201763279.db2.gz NKSZLDPEUQXXJI-UHFFFAOYSA-N 0 0 335.538 4.864 50 0 EJAARN Cc1ccc2n1CCN(C(=O)Nc1ccc(C)c(C)c1)[C@@H]2C(C)C ZINC000009528331 201781659 /nfs/dbraw/zinc/78/16/59/201781659.db2.gz HBIAVTBDPSRPIC-LJQANCHMSA-N 0 0 325.456 4.658 50 0 EJAARN CCCC(=O)Nc1c2ccccc2oc1C(=O)Nc1ccccc1F ZINC000004162501 210134864 /nfs/dbraw/zinc/13/48/64/210134864.db2.gz AHQGMJZDDKWRFX-UHFFFAOYSA-N 0 0 340.354 4.563 50 0 EJAARN CC[C@@H]1CCCCN1C(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000065497485 214934591 /nfs/dbraw/zinc/93/45/91/214934591.db2.gz CMWSIHAMOLZPFQ-OAHLLOKOSA-N 0 0 334.419 4.900 50 0 EJAARN CCCCCC(=O)Nc1sc2c(c1C(=O)OCC)CCCCC2 ZINC000004154520 210134430 /nfs/dbraw/zinc/13/44/30/210134430.db2.gz VODPLXDTEBCGTF-UHFFFAOYSA-N 0 0 337.485 4.713 50 0 EJAARN O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1ccc(Cl)cc1 ZINC000004138206 210129794 /nfs/dbraw/zinc/12/97/94/210129794.db2.gz SZPPSVJCNANYLL-UHFFFAOYSA-N 0 0 338.838 4.630 50 0 EJAARN Cc1ccc(N[C@@H]2CCCN(C(=O)c3cc4ccccc4o3)C2)cc1C ZINC000012210670 201832927 /nfs/dbraw/zinc/83/29/27/201832927.db2.gz IXIQVGXOKJTBOW-LJQANCHMSA-N 0 0 348.446 4.766 50 0 EJAARN c1ccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)cc1 ZINC000004126237 210127391 /nfs/dbraw/zinc/12/73/91/210127391.db2.gz LADDRPDIGSDXRB-UHFFFAOYSA-N 0 0 343.386 4.516 50 0 EJAARN COc1cc(Cl)cc(/C=C/c2ccc3cccc(O)c3n2)c1OC ZINC000004123952 210126030 /nfs/dbraw/zinc/12/60/30/210126030.db2.gz DJAZMKZCTDJYCP-VQHVLOKHSA-N 0 0 341.794 4.781 50 0 EJAARN Cc1nn(-c2ccccc2C)c(C)c1CN(C)c1nc2ccccc2o1 ZINC000065587844 214967951 /nfs/dbraw/zinc/96/79/51/214967951.db2.gz HHDFVROMVZGCJL-UHFFFAOYSA-N 0 0 346.434 4.575 50 0 EJAARN Oc1ccc(Br)cc1/C=C/c1ccc2ccccc2n1 ZINC000004117502 210124044 /nfs/dbraw/zinc/12/40/44/210124044.db2.gz NDJYIQKCWCPIPP-RMKNXTFCSA-N 0 0 326.193 4.873 50 0 EJAARN Cc1nc(-c2ccsc2)ccc1C(=O)Nc1ccc(F)c(F)c1F ZINC000101806953 219165349 /nfs/dbraw/zinc/16/53/49/219165349.db2.gz JXIIPDMCGYEEHF-UHFFFAOYSA-N 0 0 348.349 4.788 50 0 EJAARN Cc1cccc(-c2nnc(NC(=O)c3ccc4ccccc4c3)s2)c1 ZINC000004079050 210114122 /nfs/dbraw/zinc/11/41/22/210114122.db2.gz WCZZIPMNKCEMPT-UHFFFAOYSA-N 0 0 345.427 4.919 50 0 EJAARN C[C@H](NC(=O)c1ccccc1C(F)(F)F)c1cc2ccccc2o1 ZINC000012976985 201879070 /nfs/dbraw/zinc/87/90/70/201879070.db2.gz OLINZXNMAGPZAB-NSHDSACASA-N 0 0 333.309 4.943 50 0 EJAARN Cc1ccc(NC(=O)CSc2cn(C)c3ccccc23)cc1Cl ZINC000004060488 210110796 /nfs/dbraw/zinc/11/07/96/210110796.db2.gz YUJGANYSFIJGBS-UHFFFAOYSA-N 0 0 344.867 4.871 50 0 EJAARN CC[C@@H]1c2ccsc2CCN1C(=O)Nc1cc(C)nn1C(C)(C)C ZINC000065790396 214995068 /nfs/dbraw/zinc/99/50/68/214995068.db2.gz VSNHRVVZCXACNF-CQSZACIVSA-N 0 0 346.500 4.549 50 0 EJAARN CC(C)(C)c1ccc(Cn2nc(/C=C/c3ccccc3)ccc2=O)cc1 ZINC000004060025 210110186 /nfs/dbraw/zinc/11/01/86/210110186.db2.gz PQQABOVENGOTSD-SDNWHVSQSA-N 0 0 344.458 4.760 50 0 EJAARN CCN(CC)c1ccc(NC(=O)/C=C\c2ccccc2Cl)cc1 ZINC000013483134 201897551 /nfs/dbraw/zinc/89/75/51/201897551.db2.gz TVIYXXFKSQTYGQ-ZROIWOOFSA-N 0 0 328.843 4.838 50 0 EJAARN CC1(C)Nc2ccccc2C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000004054871 210108396 /nfs/dbraw/zinc/10/83/96/210108396.db2.gz GZPRPWCUHAKFPD-UHFFFAOYSA-N 0 0 335.234 4.797 50 0 EJAARN O=C(Nc1ccc(F)cc1F)N1CCC[C@@H]1c1ccccc1Cl ZINC000046018644 213773726 /nfs/dbraw/zinc/77/37/26/213773726.db2.gz FSPSDDVECOOQQR-MRXNPFEDSA-N 0 0 336.769 4.987 50 0 EJAARN CCCCC[C@@H]1[C@@H](CC(=O)OC)CC[C@@H]1OC(=O)Nc1ccccc1 ZINC000004024241 210102111 /nfs/dbraw/zinc/10/21/11/210102111.db2.gz AUTCMLIZMUTLIQ-NXHRZFHOSA-N 0 0 347.455 4.773 50 0 biogenic EJAARN CCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cc(C)ccc2C)C1 ZINC000004033352 210104815 /nfs/dbraw/zinc/10/48/15/210104815.db2.gz XOIMWOMTJDQCOV-QGZVFWFLSA-N 0 0 347.462 4.584 50 0 EJAARN Cc1cc2c(cc1C)N(Cc1cccc(F)c1)C(=O)[C@H]1CCCC1=N2 ZINC000101945973 219174736 /nfs/dbraw/zinc/17/47/36/219174736.db2.gz LYMGJDWHFCGMLP-KRWDZBQOSA-N 0 0 336.410 4.862 50 0 EJAARN Fc1ccc(N2N=C(c3cccs3)C[C@H]2c2ccco2)c(F)c1 ZINC000004020565 210100996 /nfs/dbraw/zinc/10/09/96/210100996.db2.gz VGXQEISAEAIRBX-HNNXBMFYSA-N 0 0 330.359 4.975 50 0 EJAARN COC(=O)C1=C(Nc2ccc(OC)cc2)C=C(C)C[C@H]1c1ccccc1 ZINC000066091576 215009203 /nfs/dbraw/zinc/00/92/03/215009203.db2.gz IBRAMJQFBKGLGE-IBGZPJMESA-N 0 0 349.430 4.668 50 0 EJAARN Cc1ccc(-c2nnn3c2nc(Cl)c2cc(Cl)ccc23)cc1 ZINC000045918775 213766387 /nfs/dbraw/zinc/76/63/87/213766387.db2.gz ZXOFSOAPCBQJRP-UHFFFAOYSA-N 0 0 329.190 4.560 50 0 EJAARN Cc1cc(C)cc(NC[C@@H](O)Cn2c3ccccc3c3ccccc32)c1 ZINC000003893662 210084701 /nfs/dbraw/zinc/08/47/01/210084701.db2.gz KOSSOAAZVLVWJS-LJQANCHMSA-N 0 0 344.458 4.884 50 0 EJAARN CCCSc1nc2sc3c(c2c(N)n1)CC[C@@H](C(C)(C)C)C3 ZINC000003894250 210084623 /nfs/dbraw/zinc/08/46/23/210084623.db2.gz WEXQWVBMJVQVMR-SNVBAGLBSA-N 0 0 335.542 4.927 50 0 EJAARN CCn1cc(CC[C@@H](C)NC(=O)NC2CCCCC2)c2ccccc21 ZINC000003765573 210072960 /nfs/dbraw/zinc/07/29/60/210072960.db2.gz AOVSJVKTNDSBPI-MRXNPFEDSA-N 0 0 341.499 4.614 50 0 EJAARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)C(C)(C)C)cc1 ZINC000003655322 210072562 /nfs/dbraw/zinc/07/25/62/210072562.db2.gz PNFDERKHNWEVAT-UHFFFAOYSA-N 0 0 335.403 4.957 50 0 EJAARN CSc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(F)c1 ZINC000003658673 210072224 /nfs/dbraw/zinc/07/22/24/210072224.db2.gz RRPKNSIVJZJLLY-UHFFFAOYSA-N 0 0 335.407 4.949 50 0 EJAARN CCCSc1nnc2c3ccccc3n(Cc3ccccc3)c2n1 ZINC000003668504 210071522 /nfs/dbraw/zinc/07/15/22/210071522.db2.gz KIBRQLXISPHVRI-UHFFFAOYSA-N 0 0 334.448 4.530 50 0 EJAARN Cc1cccc(N2C(=O)S[C@H](Nc3ccc(C(C)C)cc3)C2=O)c1 ZINC000003647959 210069805 /nfs/dbraw/zinc/06/98/05/210069805.db2.gz MRBTUXNPYSYPFJ-KRWDZBQOSA-N 0 0 340.448 4.756 50 0 EJAARN Cc1cccc([C@H](CC(=O)NC2CCCCC2)c2ccccc2)c1O ZINC000003628041 210069512 /nfs/dbraw/zinc/06/95/12/210069512.db2.gz SDFNAEZSSRFFAV-HXUWFJFHSA-N 0 0 337.463 4.672 50 0 EJAARN COc1cccc(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000003615157 210066113 /nfs/dbraw/zinc/06/61/13/210066113.db2.gz FNSLIIOJEDITOJ-UHFFFAOYSA-N 0 0 343.732 4.549 50 0 EJAARN O=C(CCc1c[nH]c2ccccc12)NCc1ccc(Cl)cc1Cl ZINC000003609082 210065187 /nfs/dbraw/zinc/06/51/87/210065187.db2.gz HKYAZMKKGUGSQV-UHFFFAOYSA-N 0 0 347.245 4.724 50 0 EJAARN Cc1ccc([C@H]2CCN(C(=S)Nc3ccc(F)c(Cl)c3)C2)cc1 ZINC000003588604 210058985 /nfs/dbraw/zinc/05/89/85/210058985.db2.gz RKQOMUGIHDNTNT-AWEZNQCLSA-N 0 0 348.874 4.974 50 0 EJAARN O=C(Cc1ccc(Br)cc1)Nc1cccc2ccccc21 ZINC000003549142 210051989 /nfs/dbraw/zinc/05/19/89/210051989.db2.gz IONNZMGRFONFGO-UHFFFAOYSA-N 0 0 340.220 4.784 50 0 EJAARN Cc1cc(C)c(NC(=O)c2ccc(OC(F)F)cc2)c(Cl)c1 ZINC000003556457 210055128 /nfs/dbraw/zinc/05/51/28/210055128.db2.gz WXROOISPWNZANH-UHFFFAOYSA-N 0 0 325.742 4.811 50 0 EJAARN Cc1cnc(NC(=O)COc2cc(C)c(Cl)cc2C(C)C)s1 ZINC000003555808 210054278 /nfs/dbraw/zinc/05/42/78/210054278.db2.gz YMOFGZQJSOYVSI-UHFFFAOYSA-N 0 0 338.860 4.554 50 0 EJAARN O=C(/C=C/c1cccs1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000003459373 210045546 /nfs/dbraw/zinc/04/55/46/210045546.db2.gz NJSVTYRTMZXTQY-BOLDSZDNSA-N 0 0 340.473 4.735 50 0 EJAARN Cc1nc(CSc2nnc(Nc3cccc(C)c3C)s2)cs1 ZINC000003463363 210046704 /nfs/dbraw/zinc/04/67/04/210046704.db2.gz MPIQJGXYKYPHNX-UHFFFAOYSA-N 0 0 348.522 4.956 50 0 EJAARN COc1ccccc1NC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000003434518 210038464 /nfs/dbraw/zinc/03/84/64/210038464.db2.gz ARZYXWYYYFUJKM-SNVBAGLBSA-N 0 0 339.222 4.885 50 0 EJAARN O=C(Cc1cccc2ccccc21)OCC(=O)c1ccc(Cl)s1 ZINC000003434863 210039332 /nfs/dbraw/zinc/03/93/32/210039332.db2.gz NPCDIAZBZKLKDZ-UHFFFAOYSA-N 0 0 344.819 4.523 50 0 EJAARN CCCOc1ccc(C(=O)Nc2ccc3nc(C)sc3c2)cc1 ZINC000003438685 210039199 /nfs/dbraw/zinc/03/91/99/210039199.db2.gz TVMCZSGQUYPGAG-UHFFFAOYSA-N 0 0 326.421 4.646 50 0 EJAARN O=C(NCc1ccccc1C(F)(F)F)Nc1ccccc1Cl ZINC000044845545 213651956 /nfs/dbraw/zinc/65/19/56/213651956.db2.gz QVDLDCHSQKGUPY-UHFFFAOYSA-N 0 0 328.721 4.681 50 0 EJAARN CCOc1ccc2nc(NC(=O)Nc3ccccc3Cl)sc2c1 ZINC000003422784 210034176 /nfs/dbraw/zinc/03/41/76/210034176.db2.gz PUDKWGSDUZQZQZ-UHFFFAOYSA-N 0 0 347.827 4.992 50 0 EJAARN Cc1cccc(OCCC(=O)NC(c2ccccc2)c2ccccc2)c1 ZINC000003428160 210037176 /nfs/dbraw/zinc/03/71/76/210037176.db2.gz HMQXRPFVRWUWHY-UHFFFAOYSA-N 0 0 345.442 4.670 50 0 EJAARN CCNc1ncnc2scc(-c3ccc(Br)cc3)c21 ZINC000003413381 210031891 /nfs/dbraw/zinc/03/18/91/210031891.db2.gz ZMFJALZBQQVHMM-UHFFFAOYSA-N 0 0 334.242 4.553 50 0 EJAARN CCSc1nnc(-c2ccccc2OC)n1-c1ccc(Cl)cc1 ZINC000003401918 210028109 /nfs/dbraw/zinc/02/81/09/210028109.db2.gz CPJMTZKJPHFUHM-UHFFFAOYSA-N 0 0 345.855 4.708 50 0 EJAARN COc1ccccc1[C@H]1c2c(C)noc2NC2=C1C(=O)CC(C)(C)C2 ZINC000102720999 219225316 /nfs/dbraw/zinc/22/53/16/219225316.db2.gz RPXSBFXCHIBBAG-KRWDZBQOSA-N 0 0 338.407 4.842 50 0 EJAARN COc1cccc([C@@H]2c3c(C)noc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000102730588 219226269 /nfs/dbraw/zinc/22/62/69/219226269.db2.gz BFHUBFUDBCYSNG-QGZVFWFLSA-N 0 0 338.407 4.842 50 0 EJAARN NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1c1ccccc1 ZINC000102730543 219225649 /nfs/dbraw/zinc/22/56/49/219225649.db2.gz NIOOLOXLRVOERA-UHFFFAOYSA-N 0 0 333.416 4.577 50 0 EJAARN CCN(CC)c1ccc(C(=O)OCc2c(F)cccc2Cl)cc1 ZINC000003370815 210019729 /nfs/dbraw/zinc/01/97/29/210019729.db2.gz HJBUBTRAQVHFFF-UHFFFAOYSA-N 0 0 335.806 4.682 50 0 EJAARN CSc1nnc(-c2cc(-c3ccc(C)cc3)nc3ccccc32)o1 ZINC000003357699 210016492 /nfs/dbraw/zinc/01/64/92/210016492.db2.gz HHRCDLOQSJBZDD-UHFFFAOYSA-N 0 0 333.416 4.982 50 0 EJAARN Cc1cc(C)n2nc(SC(c3ccccc3)c3ccccc3)nc2n1 ZINC000003359115 210017717 /nfs/dbraw/zinc/01/77/17/210017717.db2.gz TXGGVYLRHBUDOX-UHFFFAOYSA-N 0 0 346.459 4.623 50 0 EJAARN O=C(CSc1cccc2cccc(Cl)c21)NCc1cccs1 ZINC000003363599 210018249 /nfs/dbraw/zinc/01/82/49/210018249.db2.gz AHPMPCLUFPQOTH-UHFFFAOYSA-N 0 0 347.892 4.963 50 0 EJAARN CC(=O)c1cccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c1 ZINC000003345227 210015353 /nfs/dbraw/zinc/01/53/53/210015353.db2.gz PZDHKCUJNXLREZ-UHFFFAOYSA-N 0 0 341.838 4.993 50 0 EJAARN Cc1cccc(Cn2cnc3c(-c4cccc(C)c4)csc3c2=O)c1 ZINC000044166755 213611880 /nfs/dbraw/zinc/61/18/80/213611880.db2.gz LQKMKUDUMZLHRU-UHFFFAOYSA-N 0 0 346.455 4.790 50 0 EJAARN Cc1cc2occ(CC(=O)N[C@H]3CCCc4ccccc43)c2cc1C ZINC000003326904 210007997 /nfs/dbraw/zinc/00/79/97/210007997.db2.gz KXWAKLJSDXMEOB-FQEVSTJZSA-N 0 0 333.431 4.786 50 0 EJAARN Cc1cc(NC(=S)Nc2ccc(F)cc2)ccc1Br ZINC000003328444 210007829 /nfs/dbraw/zinc/00/78/29/210007829.db2.gz VLLAIQZNXLCSKD-UHFFFAOYSA-N 0 0 339.233 4.706 50 0 EJAARN CC1(C)CC(=O)C2C(=Nc3ncnn3[C@@H]2c2cccc3ccccc32)C1 ZINC000102857972 219235810 /nfs/dbraw/zinc/23/58/10/219235810.db2.gz NOGGORNQBOKFEN-LJQANCHMSA-N 0 0 344.418 4.739 50 0 EJAARN Cc1ccccc1NCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000003340191 210011491 /nfs/dbraw/zinc/01/14/91/210011491.db2.gz KWXNOWCBVSKCCP-UHFFFAOYSA-N 0 0 332.403 4.838 50 0 EJAARN C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 ZINC000003333637 210010640 /nfs/dbraw/zinc/01/06/40/210010640.db2.gz VPCRDWNXEKYACZ-MRXNPFEDSA-N 0 0 333.406 4.835 50 0 EJAARN Cc1[nH]c2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2c1C ZINC000003330319 210008966 /nfs/dbraw/zinc/00/89/66/210008966.db2.gz FNXFHMVNDVFHOA-UHFFFAOYSA-N 0 0 348.324 4.936 50 0 EJAARN COc1ccc(Nc2cc(C)nn2-c2nc3ccccc3s2)cc1 ZINC000003305912 210001648 /nfs/dbraw/zinc/00/16/48/210001648.db2.gz RMXMFEISXNTEOH-UHFFFAOYSA-N 0 0 336.420 4.543 50 0 EJAARN C[C@H](CCc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000067192546 215121431 /nfs/dbraw/zinc/12/14/31/215121431.db2.gz FGOGJATTXCXWEC-CYBMUJFWSA-N 0 0 326.827 4.572 50 0 EJAARN CC1(C)CC(=O)C2C(=Nc3ncnn3[C@H]2c2ccc3ccccc3c2)C1 ZINC000102895336 219238690 /nfs/dbraw/zinc/23/86/90/219238690.db2.gz IDDCOCOVEJLLCY-IBGZPJMESA-N 0 0 344.418 4.739 50 0 EJAARN O=c1[nH]c(SCc2ccc(F)cc2)nc2c3ccccc3oc21 ZINC000067259872 215128863 /nfs/dbraw/zinc/12/88/63/215128863.db2.gz OSVDDQMOVPHVHF-UHFFFAOYSA-N 0 0 326.352 4.513 50 0 EJAARN Cn1c(-c2nnc(-c3ccco3)o2)ccc1-c1ccc(Cl)cc1 ZINC000067299888 215130899 /nfs/dbraw/zinc/13/08/99/215130899.db2.gz CWRXFVFRBWAOFH-UHFFFAOYSA-N 0 0 325.755 4.656 50 0 EJAARN C[C@H](Nc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003298637 210000504 /nfs/dbraw/zinc/00/05/04/210000504.db2.gz UERCHJKTFJBUKK-JTQLQIEISA-N 0 0 342.748 4.798 50 0 EJAARN CCOC(=O)c1cccc(NC(=O)/C=C/c2cc3ccc(C)cc3o2)c1 ZINC000067339791 215135115 /nfs/dbraw/zinc/13/51/15/215135115.db2.gz HHGXPMGSMZPGKE-MDZDMXLPSA-N 0 0 349.386 4.570 50 0 EJAARN COc1cccc2cc(-c3nc(-c4ccccc4)cs3)c(=N)oc21 ZINC000067350787 215136030 /nfs/dbraw/zinc/13/60/30/215136030.db2.gz LXHICNYTRXRCPT-UHFFFAOYSA-N 0 0 334.400 4.711 50 0 EJAARN CCc1cccc(Nc2onc(-c3ccc(F)cc3)c2C(=O)OC)c1 ZINC000015821797 201965036 /nfs/dbraw/zinc/96/50/36/201965036.db2.gz SJPYXXZZPPKMAI-UHFFFAOYSA-N 0 0 340.354 4.573 50 0 EJAARN O=C(c1c(F)cccc1F)N(Cc1ccccc1)Cc1ccccc1 ZINC000003192979 209975215 /nfs/dbraw/zinc/97/52/15/209975215.db2.gz CAHHPOXZQLDBDV-UHFFFAOYSA-N 0 0 337.369 4.807 50 0 EJAARN Cc1cccc(N(C(=O)Nc2ccccc2)C2=NCC(C)(C)S2)c1 ZINC000003138659 209969770 /nfs/dbraw/zinc/96/97/70/209969770.db2.gz RIVUCMUBZWXIQH-UHFFFAOYSA-N 0 0 339.464 4.915 50 0 EJAARN Nc1ccc(-c2cc(-c3ccc(N)cc3)nc(-c3ccccc3)n2)cc1 ZINC000003110425 209964622 /nfs/dbraw/zinc/96/46/22/209964622.db2.gz XGENNWJCOQVWER-UHFFFAOYSA-N 0 0 338.414 4.642 50 0 EJAARN Clc1cccc(Cl)c1OCCOc1cccc2cccnc21 ZINC000002984843 209949870 /nfs/dbraw/zinc/94/98/70/209949870.db2.gz FLZOSCCTNVCMLG-UHFFFAOYSA-N 0 0 334.202 4.999 50 0 EJAARN CCOc1ccc(OCCOc2cccc(C(F)(F)F)c2)cc1 ZINC000002983856 209949148 /nfs/dbraw/zinc/94/91/48/209949148.db2.gz RPYKDBDSQJZSET-UHFFFAOYSA-N 0 0 326.314 4.562 50 0 EJAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)c1ccccc1 ZINC000002921543 209941450 /nfs/dbraw/zinc/94/14/50/209941450.db2.gz SJHXRMMNQDOTMJ-NWDGAFQWSA-N 0 0 338.234 4.638 50 0 EJAARN CC(=O)Nc1cccc(-c2csc(Nc3ccc(Cl)cn3)n2)c1 ZINC000002862121 209929088 /nfs/dbraw/zinc/92/90/88/209929088.db2.gz OOCHFNLDDBDATH-UHFFFAOYSA-N 0 0 344.827 4.561 50 0 EJAARN O=C(OCc1cccc(Cl)c1)c1ccc2c(c1)-c1ccccc1C2=O ZINC000002850679 209927732 /nfs/dbraw/zinc/92/77/32/209927732.db2.gz BIIDQDLHRBAUJH-UHFFFAOYSA-N 0 0 348.785 4.908 50 0 EJAARN Cc1ccccc1CSCCNC(=O)[C@@H](C)Sc1ccccc1 ZINC000002813837 209921825 /nfs/dbraw/zinc/92/18/25/209921825.db2.gz CSFCUZYCDYNOOJ-MRXNPFEDSA-N 0 0 345.533 4.525 50 0 EJAARN Cc1ccc(SCCNC(=S)Nc2cccc(C)c2C)cc1 ZINC000002783386 209913235 /nfs/dbraw/zinc/91/32/35/209913235.db2.gz MMYQJLHYWYWMTQ-UHFFFAOYSA-N 0 0 330.522 4.691 50 0 EJAARN COC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cccs1 ZINC000002767852 209905914 /nfs/dbraw/zinc/90/59/14/209905914.db2.gz PJHHBCXYLJDASN-UHFFFAOYSA-N 0 0 343.429 4.516 50 0 EJAARN Cc1ccc2nc(NC(=O)[C@H](C)Oc3cccc(Cl)c3)sc2c1 ZINC000002748302 209902191 /nfs/dbraw/zinc/90/21/91/209902191.db2.gz XXQFUBSDEXXMMC-NSHDSACASA-N 0 0 346.839 4.664 50 0 EJAARN O=C(/C=C/c1ccccc1Cl)Nc1c(F)c(F)c(F)c(F)c1F ZINC000002740079 209899904 /nfs/dbraw/zinc/89/99/04/209899904.db2.gz OXMPNDKPOXANKB-AATRIKPKSA-N 0 0 347.670 4.687 50 0 EJAARN CCCCCn1c2ccccc2nc1[C@@H](C)NC(=O)Cc1ccccc1 ZINC000002721364 209896321 /nfs/dbraw/zinc/89/63/21/209896321.db2.gz AUNVSARGGBGUQR-QGZVFWFLSA-N 0 0 349.478 4.646 50 0 EJAARN CC(C)(C)CC(=O)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000068339465 215300676 /nfs/dbraw/zinc/30/06/76/215300676.db2.gz GPOXEFVNYCAKOA-KRWDZBQOSA-N 0 0 343.446 4.706 50 0 EJAARN O=C(CCN1c2ccccc2Sc2ccccc21)Nc1cccnc1 ZINC000002643480 209883247 /nfs/dbraw/zinc/88/32/47/209883247.db2.gz NSRDDDZRKNFAJF-UHFFFAOYSA-N 0 0 347.443 4.713 50 0 EJAARN Cn1c(SCc2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 ZINC000002523602 209863679 /nfs/dbraw/zinc/86/36/79/209863679.db2.gz LOYUPARQBSIHGZ-UHFFFAOYSA-N 0 0 333.819 4.567 50 0 EJAARN CCc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1 ZINC000002471838 209854184 /nfs/dbraw/zinc/85/41/84/209854184.db2.gz MDKKHYWHGKOCHI-ZWKOTPCHSA-N 0 0 338.842 4.640 50 0 EJAARN C[C@H]1C[C@H](C)CN(C(=O)CCCOc2ccc(Cl)cc2Cl)C1 ZINC000002496964 209858120 /nfs/dbraw/zinc/85/81/20/209858120.db2.gz FJCJTHYUFAKHMZ-STQMWFEESA-N 0 0 344.282 4.657 50 0 EJAARN CC(C)CC[C@]1(CCNC(=O)c2cccs2)CCOC(C)(C)C1 ZINC000002444634 209851819 /nfs/dbraw/zinc/85/18/19/209851819.db2.gz XYFWWPIWCWSQJD-IBGZPJMESA-N 0 0 337.529 4.880 50 0 EJAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCCCCc1ccccc1 ZINC000002114642 209821037 /nfs/dbraw/zinc/82/10/37/209821037.db2.gz UFEPNEWHLXASRP-MRXNPFEDSA-N 0 0 345.870 4.555 50 0 EJAARN CC[C@]1(C)C[C@](CCN(Cc2ccco2)C(C)=O)(C(C)C)CCO1 ZINC000002110868 209820507 /nfs/dbraw/zinc/82/05/07/209820507.db2.gz WECPRHUTBOEXOM-WOJBJXKFSA-N 0 0 335.488 4.640 50 0 biogenic EJAARN CCc1cccc(N2COc3c(C)c4oc(=O)cc(CC)c4cc3C2)c1 ZINC000002116579 209820791 /nfs/dbraw/zinc/82/07/91/209820791.db2.gz YJDHOJVYRXOEEQ-UHFFFAOYSA-N 0 0 349.430 4.583 50 0 biogenic EJAARN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N(C)[C@H](C)c1ccco1 ZINC000069103837 215359609 /nfs/dbraw/zinc/35/96/09/215359609.db2.gz BCGFFWGPJJKDSV-HIFRSBDPSA-N 0 0 330.428 4.597 50 0 EJAARN O=[S@](Cc1nc2ccccc2s1)Cc1ccc(F)cc1Cl ZINC000069350800 215385632 /nfs/dbraw/zinc/38/56/32/215385632.db2.gz LLZZPFUEQXZIPE-OAQYLSRUSA-N 0 0 339.844 4.538 50 0 EJAARN CCCCOC(=O)c1cccc(NC(=O)Nc2ccc(C)cc2)c1 ZINC000001891492 209803058 /nfs/dbraw/zinc/80/30/58/209803058.db2.gz HIUIDJGTASVBLE-UHFFFAOYSA-N 0 0 326.396 4.596 50 0 EJAARN CN(Cc1ccco1)C(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000017790191 201990719 /nfs/dbraw/zinc/99/07/19/201990719.db2.gz QXVWBANHXJADNX-UHFFFAOYSA-N 0 0 331.824 4.934 50 0 EJAARN CCCCOc1ccc2c3c(c(=O)oc2c1OCCCC)CCC3 ZINC000001797595 209795762 /nfs/dbraw/zinc/79/57/62/209795762.db2.gz GXXNBVMHVBIBPL-UHFFFAOYSA-N 0 0 330.424 4.640 50 0 EJAARN Cc1[nH]c(=S)sc1CC(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000040493925 213320339 /nfs/dbraw/zinc/32/03/39/213320339.db2.gz ZARXSSPLAPPTHE-LLVKDONJSA-N 0 0 346.477 4.622 50 0 EJAARN Cc1ccc(OCCCC(=O)Nc2ccc(OC(C)C)cc2)cc1 ZINC000001775690 209792958 /nfs/dbraw/zinc/79/29/58/209792958.db2.gz DUYJHYSLFFRJFW-UHFFFAOYSA-N 0 0 327.424 4.580 50 0 EJAARN CC[C@H](C)NC(=O)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1 ZINC000040451203 213305281 /nfs/dbraw/zinc/30/52/81/213305281.db2.gz UWEUXHWHKWNNMR-LBPRGKRZSA-N 0 0 342.826 4.600 50 0 EJAARN CC(C)(C)OC(=O)N1CCC[C@H](Nc2cccc(C(F)(F)F)c2)C1 ZINC000040448235 213304889 /nfs/dbraw/zinc/30/48/89/213304889.db2.gz USNKDMFQLHTYBS-AWEZNQCLSA-N 0 0 344.377 4.517 50 0 EJAARN CCCCOC(=O)c1ccc(OC(=O)Nc2cccc(Cl)c2)cc1 ZINC000001738255 209788997 /nfs/dbraw/zinc/78/89/97/209788997.db2.gz GSNSWDHTYCZOOT-UHFFFAOYSA-N 0 0 347.798 4.908 50 0 EJAARN COc1ccccc1[C@H]1CC(=O)Nc2c(-c3ccccc3)nsc21 ZINC000040267998 213286278 /nfs/dbraw/zinc/28/62/78/213286278.db2.gz UXWWTXWHMUHUKS-CQSZACIVSA-N 0 0 336.416 4.942 50 0 EJAARN O=C1C[C@H](c2ccsc2)c2ncn(-c3ccccc3Cl)c2N1 ZINC000040266446 213284902 /nfs/dbraw/zinc/28/49/02/213284902.db2.gz YTXUTHARWTXLCB-LLVKDONJSA-N 0 0 329.812 4.711 50 0 EJAARN Cc1cc(C)c([C@@H](C)Sc2nnc3cc(C)nc(C)n32)c(C)c1 ZINC000040157836 213276264 /nfs/dbraw/zinc/27/62/64/213276264.db2.gz OIQOYXRDDGVMJB-CQSZACIVSA-N 0 0 326.469 4.520 50 0 EJAARN Cc1ccc(C)c(C(=O)CSc2nnc(C3CCCCC3)o2)c1 ZINC000040159057 213275447 /nfs/dbraw/zinc/27/54/47/213275447.db2.gz CNNOHONRDACRQL-UHFFFAOYSA-N 0 0 330.453 4.709 50 0 EJAARN Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccccc1-n1cccn1 ZINC000040152282 213273078 /nfs/dbraw/zinc/27/30/78/213273078.db2.gz XTXCETDHRKJZLJ-IBGZPJMESA-N 0 0 346.434 4.550 50 0 EJAARN C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccccc1N1CCCC1 ZINC000040103755 213264901 /nfs/dbraw/zinc/26/49/01/213264901.db2.gz XSHFYBSTXZGVEP-HNNXBMFYSA-N 0 0 341.430 4.651 50 0 EJAARN CSc1ccc(CN(C)C(=O)Nc2cc(Cl)ccc2F)cc1 ZINC000040103865 213264375 /nfs/dbraw/zinc/26/43/75/213264375.db2.gz UZQMZXYIKMWZSC-UHFFFAOYSA-N 0 0 338.835 4.865 50 0 EJAARN CCN(Cc1ccc(OC)c(F)c1)C(=O)Nc1ccc(C)cc1C ZINC000040095404 213263213 /nfs/dbraw/zinc/26/32/13/213263213.db2.gz KXKXBXMHONREKB-UHFFFAOYSA-N 0 0 330.403 4.505 50 0 EJAARN CC(C)NC(=O)Nc1cccc(C(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000040088794 213261368 /nfs/dbraw/zinc/26/13/68/213261368.db2.gz PUUCMSFFVBTDOS-UHFFFAOYSA-N 0 0 339.439 4.592 50 0 EJAARN COc1ccc(N[C@H](C)c2nc3ccccc3n2C(F)F)c(OC)c1 ZINC000040086335 213260297 /nfs/dbraw/zinc/26/02/97/213260297.db2.gz YZDNSKWSHIKLKF-LLVKDONJSA-N 0 0 347.365 4.622 50 0 EJAARN Fc1ccccc1C1N(Cc2ccccc2)CCN1Cc1ccccc1 ZINC000019324090 202004302 /nfs/dbraw/zinc/00/43/02/202004302.db2.gz YGAJOWJEBILMGV-UHFFFAOYSA-N 0 0 346.449 4.842 50 0 EJAARN CCC[C@H](C)NC(=O)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000040052302 213255442 /nfs/dbraw/zinc/25/54/42/213255442.db2.gz ZUFFHFZWVHNSLB-ZDUSSCGKSA-N 0 0 340.448 4.989 50 0 EJAARN O=C(Nc1cc(Cl)cc2cccnc21)c1cccc2ncccc21 ZINC000040056900 213254970 /nfs/dbraw/zinc/25/49/70/213254970.db2.gz OAMRMDUEDBSEKP-UHFFFAOYSA-N 0 0 333.778 4.689 50 0 EJAARN Fc1cccc(NCc2nc(-c3cccc(C(F)(F)F)c3)no2)c1 ZINC000040032403 213253232 /nfs/dbraw/zinc/25/32/32/213253232.db2.gz XXXUKYWHRLRLSH-UHFFFAOYSA-N 0 0 337.276 4.507 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327.387 4.610 50 0 EJAARN O=C(Nc1nc2c(s1)CCCC2)c1ccc(-c2ccccc2)cc1 ZINC000000190945 209474522 /nfs/dbraw/zinc/47/45/22/209474522.db2.gz HBAOZFMNBADBOS-UHFFFAOYSA-N 0 0 334.444 4.941 50 0 EJAARN Cc1ccc(C2(c3ccc(C)cc3)C[C@@H]2C(=O)Nc2nccs2)cc1 ZINC000000191068 209474271 /nfs/dbraw/zinc/47/42/71/209474271.db2.gz RJCJCGMKEGSAGX-GOSISDBHSA-N 0 0 348.471 4.705 50 0 EJAARN Cc1nnc(-c2cccc(N[C@H]3CCC[C@H](C(F)(F)F)C3)c2)o1 ZINC000129533935 223066313 /nfs/dbraw/zinc/06/63/13/223066313.db2.gz NBIQNOUVORDOKF-JSGCOSHPSA-N 0 0 325.334 4.578 50 0 EJAARN O=C(N[C@@H](c1ccccc1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000000158323 209457853 /nfs/dbraw/zinc/45/78/53/209457853.db2.gz HLHWLASXUWHLRM-ZDUSSCGKSA-N 0 0 328.626 4.528 50 0 EJAARN COC(=O)c1c2c(sc1NC(=O)C=C(C)C)C[C@H](C(C)(C)C)CC2 ZINC000000149016 209451716 /nfs/dbraw/zinc/45/17/16/209451716.db2.gz PHEMJKFMMHBBIM-GFCCVEGCSA-N 0 0 349.496 4.590 50 0 EJAARN Cc1nn(Cc2ccccc2)c2c1[C@H](c1cccc(O)c1)SC(C)=N2 ZINC000072405837 216196961 /nfs/dbraw/zinc/19/69/61/216196961.db2.gz KZEXZDOQQYBOCP-IBGZPJMESA-N 0 0 349.459 4.832 50 0 EJAARN CCc1cccc(CC)c1NC(=O)c1cccc(Br)c1 ZINC000000145152 209449093 /nfs/dbraw/zinc/44/90/93/209449093.db2.gz RYJGPRNTLFKURX-UHFFFAOYSA-N 0 0 332.241 4.826 50 0 EJAARN Cc1sc2ncnc(Nc3ccc(C(=O)OC(C)C)cc3)c2c1C ZINC000000144709 209447981 /nfs/dbraw/zinc/44/79/81/209447981.db2.gz VHNNGNGCTTXMPN-UHFFFAOYSA-N 0 0 341.436 4.617 50 0 EJAARN CC(C)(C)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000000140511 209446366 /nfs/dbraw/zinc/44/63/66/209446366.db2.gz IMYBDPYIGPECID-UHFFFAOYSA-N 0 0 329.252 5.000 50 0 EJAARN Cc1c2ccc(C)cc2oc1C(=O)Nc1ccnn1Cc1ccccc1 ZINC000028405004 212617683 /nfs/dbraw/zinc/61/76/83/212617683.db2.gz YLSJPVFQWNRSJN-UHFFFAOYSA-N 0 0 345.402 4.547 50 0 EJAARN Cc1noc(N)c1-c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000000124252 209436186 /nfs/dbraw/zinc/43/61/86/209436186.db2.gz VNRFRFJOFLCJAO-UHFFFAOYSA-N 0 0 326.208 4.663 50 0 EJAARN Cc1ccc(C)c(Nc2nc3ccccc3c(NC[C@H]3CCCO3)n2)c1 ZINC000000090367 209413354 /nfs/dbraw/zinc/41/33/54/209413354.db2.gz ZULSDZCQFSVQKE-MRXNPFEDSA-N 0 0 348.450 4.581 50 0 EJAARN Cc1cccc(NC(=O)CCCC(=O)Nc2cccc(C)c2C)c1C ZINC000000082175 209406632 /nfs/dbraw/zinc/40/66/32/209406632.db2.gz JCUHJRGYQZVUSB-UHFFFAOYSA-N 0 0 338.451 4.668 50 0 EJAARN CC(=O)Nc1ccc(C)c(NC(=S)Nc2ccc(Cl)cc2C)c1 ZINC000000068030 209398681 /nfs/dbraw/zinc/39/86/81/209398681.db2.gz WDOKGIDBXNNDAD-UHFFFAOYSA-N 0 0 347.871 4.724 50 0 EJAARN O=C(Nc1ccc(F)cc1)N1CCS[C@@H]1c1ccccc1Cl ZINC000028232354 212607580 /nfs/dbraw/zinc/60/75/80/212607580.db2.gz GXKXQJSRHHYADO-OAHLLOKOSA-N 0 0 336.819 4.759 50 0 EJAARN Cc1c(Cl)cccc1NC(=O)CSc1nc2ccccc2s1 ZINC000000062767 209396060 /nfs/dbraw/zinc/39/60/60/209396060.db2.gz YFEYJQJTSVQITG-UHFFFAOYSA-N 0 0 348.880 4.989 50 0 EJAARN Cc1ccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1 ZINC000000062538 209395624 /nfs/dbraw/zinc/39/56/24/209395624.db2.gz PFWVPGQFMOYGSQ-UHFFFAOYSA-N 0 0 334.400 4.969 50 0 EJAARN Cc1ccc2oc(=O)c(-c3ccc(Br)cc3)c(C)c2c1 ZINC000000057973 209393577 /nfs/dbraw/zinc/39/35/77/209393577.db2.gz NEYOXGRIVVSLDE-UHFFFAOYSA-N 0 0 329.193 4.839 50 0 EJAARN COc1ccc(-c2c(=O)oc3cc([O-])ccc3c2-c2ccccc2)cc1 ZINC000000058061 209392725 /nfs/dbraw/zinc/39/27/25/209392725.db2.gz RUNKFNRKRKBFRU-UHFFFAOYSA-N 0 0 344.366 4.841 50 0 biogenic,in-vitro EJAARN Cc1ccc(Cn2ccc(NC(=O)Nc3cccc(Cl)c3)n2)cc1 ZINC000028230086 212606231 /nfs/dbraw/zinc/60/62/31/212606231.db2.gz YMUYWTJQXQYCPS-UHFFFAOYSA-N 0 0 340.814 4.537 50 0 EJAARN COC(=O)c1ccccc1NC(=O)c1sc2ccccc2c1Cl ZINC000000042981 209386630 /nfs/dbraw/zinc/38/66/30/209386630.db2.gz FLLURPCNOVCBMK-UHFFFAOYSA-N 0 0 345.807 4.594 50 0 EJAARN CCC[C@@H](CNC(=O)c1cc(-c2cccs2)on1)c1ccccc1 ZINC000072427526 216219100 /nfs/dbraw/zinc/21/91/00/216219100.db2.gz SCQNAPRKOIBGFP-HNNXBMFYSA-N 0 0 340.448 4.717 50 0 EJAARN COC(=O)Nc1sc(-c2cccc(OC)c2)nc1-c1cccs1 ZINC000072427583 216219223 /nfs/dbraw/zinc/21/92/23/216219223.db2.gz FKYNCIFBLBZVSL-UHFFFAOYSA-N 0 0 346.433 4.726 50 0 EJAARN CCSc1ncc(Cl)c(C(=O)Sc2ccc(Cl)cc2)n1 ZINC000027995537 212594452 /nfs/dbraw/zinc/59/44/52/212594452.db2.gz FAYBLUFUOMFMGK-UHFFFAOYSA-N 0 0 345.276 4.828 50 0 EJAARN Cc1oc(C(C)C)cc1C(=O)N(C)Cc1cc(-c2ccccc2)no1 ZINC000072436169 216231085 /nfs/dbraw/zinc/23/10/85/216231085.db2.gz UTNISUJFRXFRLQ-UHFFFAOYSA-N 0 0 338.407 4.639 50 0 EJAARN CCn1c2ccccc2nc1NC(=O)Nc1ccccc1C(F)(F)F ZINC000027923443 212586414 /nfs/dbraw/zinc/58/64/14/212586414.db2.gz QVRHBFJHMVERDK-UHFFFAOYSA-N 0 0 348.328 4.719 50 0 EJAARN Cc1ccsc1-c1nccn1CCC(=O)Nc1cc(C)ccc1C ZINC000072476877 216254753 /nfs/dbraw/zinc/25/47/53/216254753.db2.gz LJQSQDVXTCYZMP-UHFFFAOYSA-N 0 0 339.464 4.566 50 0 EJAARN CN(Cc1csc(-c2cccs2)n1)C(=O)CCc1cccs1 ZINC000072477352 216255620 /nfs/dbraw/zinc/25/56/20/216255620.db2.gz ADPZUIXPBWEIAP-UHFFFAOYSA-N 0 0 348.518 4.524 50 0 EJAARN Cc1cc(C(=O)CSc2ncnc3ccsc32)c(C)n1C(C)C ZINC000026959865 212542857 /nfs/dbraw/zinc/54/28/57/212542857.db2.gz PDWBPPWZVIJTBF-UHFFFAOYSA-N 0 0 345.493 4.666 50 0 EJAARN C[C@H](c1ccccc1)N(C)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000026290826 201060181 /nfs/dbraw/zinc/06/01/81/201060181.db2.gz JYKLNFIVQTVFHG-BPLDGKMQSA-N 0 0 328.378 4.510 50 0 EJAARN Cc1nc2cc(NC(=O)C3(c4cccc(Cl)c4)CCC3)ccc2o1 ZINC000026390493 212517929 /nfs/dbraw/zinc/51/79/29/212517929.db2.gz FTZFBHKKEBQUHG-UHFFFAOYSA-N 0 0 340.810 4.850 50 0 EJAARN CCn1cc(CCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c2ccccc21 ZINC000245276357 201153065 /nfs/dbraw/zinc/15/30/65/201153065.db2.gz UUEIYKAUFAIOMQ-GPMSIDNRSA-N 0 0 326.484 4.535 50 0 EJAARN O=C(C[C@@H](c1ccsc1)n1cccc1)Nc1cccc2ncccc21 ZINC000263588865 201207694 /nfs/dbraw/zinc/20/76/94/201207694.db2.gz ZIZMESNRTDUIHT-IBGZPJMESA-N 0 0 347.443 4.716 50 0 EJAARN O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000025534074 212487927 /nfs/dbraw/zinc/48/79/27/212487927.db2.gz RVVAOWBKCPKXNO-INIZCTEOSA-N 0 0 337.316 4.822 50 0 EJAARN O=C(Nc1nc2ccccc2s1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000025314386 212472876 /nfs/dbraw/zinc/47/28/76/212472876.db2.gz UXMDBPMOBDONJP-HNNXBMFYSA-N 0 0 341.411 4.804 50 0 EJAARN Cc1cc(CN(C)C(=O)c2cc3sc4ccccc4c3s2)no1 ZINC000025137020 212460620 /nfs/dbraw/zinc/46/06/20/212460620.db2.gz XGHCXVNPGKRKIG-UHFFFAOYSA-N 0 0 342.445 4.685 50 0 EJAARN COc1ccc2oc(C)c(C(=O)Nc3ccc(C)c(Cl)c3)c2c1 ZINC000015880478 201366935 /nfs/dbraw/zinc/36/69/35/201366935.db2.gz IASVIJZNPONNLV-UHFFFAOYSA-N 0 0 329.783 4.964 50 0 EJAARN COc1ccccc1-c1coc2cc(OCC=C(C)C)ccc2c1=O ZINC000000466412 201357470 /nfs/dbraw/zinc/35/74/70/201357470.db2.gz YBNDYVYYLAYUNU-UHFFFAOYSA-N 0 0 336.387 4.814 50 0 biogenic EJAARN CN(C(=O)c1cccc(C(F)(F)F)c1)c1nc2ccccc2s1 ZINC000024990415 212452361 /nfs/dbraw/zinc/45/23/61/212452361.db2.gz WNPGMFXQHOFFHC-UHFFFAOYSA-N 0 0 336.338 4.592 50 0 EJAARN O=C(/C=C\c1cscn1)Nc1cccc(C2SCCCS2)c1 ZINC000096188040 201374125 /nfs/dbraw/zinc/37/41/25/201374125.db2.gz PRXZHIPFCHQOSR-WAYWQWQTSA-N 0 0 348.518 4.664 50 0 EJAARN Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(COc3ccccc3)o2)c1 ZINC000024958535 212449203 /nfs/dbraw/zinc/44/92/03/212449203.db2.gz QOORIXOAWNJJRB-KRWDZBQOSA-N 0 0 349.430 4.966 50 0 EJAARN Cc1nc2cc(NC(=O)c3cc4c(cccc4Cl)[nH]3)ccc2o1 ZINC000024927627 212448478 /nfs/dbraw/zinc/44/84/78/212448478.db2.gz QHRPLCOUHVOMBV-UHFFFAOYSA-N 0 0 325.755 4.523 50 0 EJAARN CC[C@@H](C(=O)Nc1nc2c(cc(F)cc2F)s1)c1ccccc1 ZINC000024766791 212439289 /nfs/dbraw/zinc/43/92/89/212439289.db2.gz HYWJGNOLKLHLEB-GFCCVEGCSA-N 0 0 332.375 4.707 50 0 EJAARN C[C@@H]1c2cccn2CCN1Cc1csc(-c2ccccc2Cl)n1 ZINC000048345392 202602821 /nfs/dbraw/zinc/60/28/21/202602821.db2.gz ZFLWYWNKDJOFGF-CYBMUJFWSA-N 0 0 343.883 4.842 50 0 EJAARN Fc1ccc(-c2nc(COc3ccc(Br)cc3)co2)cc1 ZINC000024222620 212414356 /nfs/dbraw/zinc/41/43/56/212414356.db2.gz FFPCUVCHFGPWOC-UHFFFAOYSA-N 0 0 348.171 4.822 50 0 EJAARN O=C(c1c[nH]c2ccccc12)[C@H](NCc1ccccc1)c1ccccc1 ZINC000023881845 212397630 /nfs/dbraw/zinc/39/76/30/212397630.db2.gz ZLEJVXCNWPKJSV-JOCHJYFZSA-N 0 0 340.426 4.882 50 0 EJAARN C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1F ZINC000023544181 212382978 /nfs/dbraw/zinc/38/29/78/212382978.db2.gz LSEQSOFTLIGSQQ-MRXNPFEDSA-N 0 0 333.406 4.835 50 0 EJAARN Cc1cccc(NC(=O)[C@@H](C)SCCOc2ccc(Cl)cc2)c1 ZINC000023622996 212385537 /nfs/dbraw/zinc/38/55/37/212385537.db2.gz JUQDGWVZTMFWRQ-CQSZACIVSA-N 0 0 349.883 4.788 50 0 EJAARN c1ccc(CCCSc2nnc3sc4ccccc4n23)cc1 ZINC000023560521 212382255 /nfs/dbraw/zinc/38/22/55/212382255.db2.gz QXMNESYEMOIYBJ-UHFFFAOYSA-N 0 0 325.462 4.669 50 0 EJAARN Cc1sc2ncnc(N[C@@H](c3ccccc3)[C@H]3CCCO3)c2c1C ZINC000058217475 202744807 /nfs/dbraw/zinc/74/48/07/202744807.db2.gz YKHPUICBGUCOMG-WBVHZDCISA-N 0 0 339.464 4.640 50 0 EJAARN C[C@@H](NC(=O)CCC(=O)c1ccccc1)c1cccc2ccccc21 ZINC000023433583 212376967 /nfs/dbraw/zinc/37/69/67/212376967.db2.gz AVWPLOKSFNOPHB-MRXNPFEDSA-N 0 0 331.415 4.680 50 0 EJAARN O=C(Nc1ccccn1)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000058378148 202762369 /nfs/dbraw/zinc/76/23/69/202762369.db2.gz SOSRNPZYXQNYNU-FQEVSTJZSA-N 0 0 343.386 4.739 50 0 EJAARN Cc1ccc([C@H]2c3ccccc3CCN2C(=O)c2cccs2)cc1 ZINC000023304980 212367279 /nfs/dbraw/zinc/36/72/79/212367279.db2.gz YTLPAZXAPYLUEC-FQEVSTJZSA-N 0 0 333.456 4.844 50 0 EJAARN C[C@H](NCc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1Cl ZINC000023218107 212360437 /nfs/dbraw/zinc/36/04/37/212360437.db2.gz CLOIJYXXNRJLRC-NSHDSACASA-N 0 0 348.233 4.894 50 0 EJAARN Clc1ccc2c(c1)ncnc2Oc1ccc(Br)cc1 ZINC000023199747 212360124 /nfs/dbraw/zinc/36/01/24/212360124.db2.gz YOHDNWQWJIKZNX-UHFFFAOYSA-N 0 0 335.588 4.838 50 0 EJAARN CC(C)c1ccc(NC(=O)C[C@H](C)CC(=O)NC2CCCCC2)cc1 ZINC000023170907 212356519 /nfs/dbraw/zinc/35/65/19/212356519.db2.gz NUOOCYOKOWYWPZ-MRXNPFEDSA-N 0 0 344.499 4.614 50 0 EJAARN Cc1ccc(-c2noc(CNc3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000023003905 212341755 /nfs/dbraw/zinc/34/17/55/212341755.db2.gz XFRGLSHPIJZGTF-UHFFFAOYSA-N 0 0 334.206 4.964 50 0 EJAARN FC(F)(F)c1cnc(-c2ccnc(-c3ccccc3)n2)c(Cl)c1 ZINC000022996505 212340742 /nfs/dbraw/zinc/34/07/42/212340742.db2.gz BCPUXJJPEWVVJK-UHFFFAOYSA-N 0 0 335.716 4.878 50 0 EJAARN CCc1nc2ccc(C(=O)N(CC)c3ccccc3C)cc2nc1CC ZINC000022993840 212340309 /nfs/dbraw/zinc/34/03/09/212340309.db2.gz CQZPAXDSHFZKNB-UHFFFAOYSA-N 0 0 347.462 4.730 50 0 EJAARN O=C(CSc1ccc2ccccc2c1)N[C@@H]1CCOc2ccccc21 ZINC000023053351 212343881 /nfs/dbraw/zinc/34/38/81/212343881.db2.gz FMWHVPBVLAMBBL-LJQANCHMSA-N 0 0 349.455 4.572 50 0 EJAARN CCN(C(=O)c1ccccc1OC(F)F)c1nc2ccccc2s1 ZINC000023042139 212343961 /nfs/dbraw/zinc/34/39/61/212343961.db2.gz UXWPCECUEACYRF-UHFFFAOYSA-N 0 0 348.374 4.564 50 0 EJAARN Cc1cc(C(=O)N2CCC[C@H]2c2ccccc2)c(C)n1Cc1ccco1 ZINC000022766295 212322373 /nfs/dbraw/zinc/32/23/73/212322373.db2.gz OKAIASBCDISWCZ-NRFANRHFSA-N 0 0 348.446 4.724 50 0 EJAARN Cc1ccc(Cc2cnc(NC(=O)c3ccco3)s2)cc1Cl ZINC000022866377 212330780 /nfs/dbraw/zinc/33/07/80/212330780.db2.gz GEDLGEANQWXOAH-UHFFFAOYSA-N 0 0 332.812 4.541 50 0 EJAARN Cc1cccc(CNC(=O)c2sc3cc(F)ccc3c2Cl)c1 ZINC000022661222 212314423 /nfs/dbraw/zinc/31/44/23/212314423.db2.gz MTEPJTJHMUUPIR-UHFFFAOYSA-N 0 0 333.815 4.932 50 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345.398 4.604 50 0 EJAARN Cc1cccc(N(C(=O)Nc2ccccc2)C2=NC[C@H](C)S2)c1 ZINC000000086422 201431754 /nfs/dbraw/zinc/43/17/54/201431754.db2.gz CKZXIQSIKPUGGJ-AWEZNQCLSA-N 0 0 325.437 4.525 50 0 EJAARN CCOC(=O)c1c(NC(=O)C2CCCC2)sc2c1CC[C@H](CC)C2 ZINC000000086296 201431921 /nfs/dbraw/zinc/43/19/21/201431921.db2.gz DVGFOAMYKMCTFV-LBPRGKRZSA-N 0 0 349.496 4.568 50 0 EJAARN Cc1nc2sc(-c3nc4ccccc4[nH]3)c(N)c2c(C)c1Cl ZINC000000091861 201433535 /nfs/dbraw/zinc/43/35/35/201433535.db2.gz ONMKQYJAEJQDQT-UHFFFAOYSA-N 0 0 328.828 4.692 50 0 EJAARN Cc1ccc(-c2csc(N[C@@H]3OC(=O)c4ccccc43)n2)c(C)c1 ZINC000000100297 201434012 /nfs/dbraw/zinc/43/40/12/201434012.db2.gz ZTHSHHFQXQCOET-QGZVFWFLSA-N 0 0 336.416 4.708 50 0 EJAARN Cc1ccc(C(=O)Nc2c(C(C)(C)C)nn(C)c2C(C)(C)C)cc1 ZINC000000113160 201436140 /nfs/dbraw/zinc/43/61/40/201436140.db2.gz FNINKADLJOTIET-UHFFFAOYSA-N 0 0 327.472 4.576 50 0 EJAARN CCCC[C@H](CC)C(=O)N1CCC(Cc2ccc(OC)cc2)CC1 ZINC000022313589 212288510 /nfs/dbraw/zinc/28/85/10/212288510.db2.gz 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PYWGEBIIPMRWPH-RGEXLXHISA-N 0 0 349.430 4.727 50 0 EJAARN Cc1cccc(NC(=O)Cn2cc(C(=O)C(C)(C)C)c3ccccc32)c1 ZINC000002876908 201550376 /nfs/dbraw/zinc/55/03/76/201550376.db2.gz MDSCTZLCYPIHOG-UHFFFAOYSA-N 0 0 348.446 4.817 50 0 EJAARN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Nc1ccc(OC)cc1 ZINC000021130180 212209743 /nfs/dbraw/zinc/20/97/43/212209743.db2.gz LJBCHUBSYKYMAV-GJZGRUSLSA-N 0 0 326.440 4.648 50 0 EJAARN COc1ccc(Cl)cc1NC(=O)Cc1coc2cc(C)c(C)cc12 ZINC000003325480 201565759 /nfs/dbraw/zinc/56/57/59/201565759.db2.gz DEDJPFWWPASAJW-UHFFFAOYSA-N 0 0 343.810 4.893 50 0 EJAARN CCCC(=O)Nc1ccc(C(=O)[C@H](C)Sc2nc(C)cs2)cc1 ZINC000021106771 212207306 /nfs/dbraw/zinc/20/73/06/212207306.db2.gz NHCPMYLJCROWMN-LBPRGKRZSA-N 0 0 348.493 4.554 50 0 EJAARN O=C(CCCc1c[nH]c2ccccc12)Nc1cnc2ccccc2c1 ZINC000021146244 212210970 /nfs/dbraw/zinc/21/09/70/212210970.db2.gz NGHPOMZJQGPMHF-UHFFFAOYSA-N 0 0 329.403 4.678 50 0 EJAARN C[C@H]1CCN(C(=O)CSc2ccc(F)cc2)c2ccccc2S1 ZINC000004414651 201600960 /nfs/dbraw/zinc/60/09/60/201600960.db2.gz OPSFAQWJTSARQL-ZDUSSCGKSA-N 0 0 347.480 4.835 50 0 EJAARN Cc1c(Cl)cccc1NC(=O)NCCc1csc2c1CCCC2 ZINC000021088173 212205062 /nfs/dbraw/zinc/20/50/62/212205062.db2.gz ULXYMGSUIGOVCQ-UHFFFAOYSA-N 0 0 348.899 4.953 50 0 EJAARN Cc1ccc(N2C(=O)S[C@H](Nc3ccc4ccccc4c3)C2=O)cc1 ZINC000004459079 201602082 /nfs/dbraw/zinc/60/20/82/201602082.db2.gz ITYHFUZTWQCCDD-SFHVURJKSA-N 0 0 348.427 4.786 50 0 EJAARN Cc1ccc(NC(=O)NCCc2csc3c2CC[C@H](C)C3)cc1C ZINC000021088401 212204427 /nfs/dbraw/zinc/20/44/27/212204427.db2.gz GEGDRNZXODIMKL-ZDUSSCGKSA-N 0 0 342.508 4.854 50 0 EJAARN COc1ccc(-c2csc3ncnc(N4CCCCCC4)c23)cc1 ZINC000021049131 212203611 /nfs/dbraw/zinc/20/36/11/212203611.db2.gz PDYTWPLDHLVOFS-UHFFFAOYSA-N 0 0 339.464 4.747 50 0 EJAARN C[C@@H](CNC(=O)c1ncoc1-c1cccc(Cl)c1)c1ccccc1 ZINC000021044761 212202818 /nfs/dbraw/zinc/20/28/18/212202818.db2.gz YVITYHNOYRUEDA-ZDUSSCGKSA-N 0 0 340.810 4.529 50 0 EJAARN CC(C)[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000004133114 201591727 /nfs/dbraw/zinc/59/17/27/201591727.db2.gz ITNCIGYKTVOSNI-HKUYNNGSSA-N 0 0 326.827 4.866 50 0 EJAARN Cc1cc(-c2csc(=N)n2-c2c(F)cccc2F)ccc1Cl ZINC000004299915 201596230 /nfs/dbraw/zinc/59/62/30/201596230.db2.gz OKCWBDDFNOTFAD-UHFFFAOYSA-N 0 0 336.794 4.925 50 0 EJAARN Cc1cccc([C@@H](CC(=O)Nc2ccc(C)c(F)c2)n2cccc2)c1 ZINC000021015826 212200459 /nfs/dbraw/zinc/20/04/59/212200459.db2.gz JGWQGUGQSZKQDH-HXUWFJFHSA-N 0 0 336.410 4.862 50 0 EJAARN CC(C)OCCCN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc21 ZINC000004691602 201612294 /nfs/dbraw/zinc/61/22/94/201612294.db2.gz JPVHRDVMHFEBOL-OAQYLSRUSA-N 0 0 348.446 4.528 50 0 EJAARN Cc1ccccc1/C=C\c1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000004724678 201614496 /nfs/dbraw/zinc/61/44/96/201614496.db2.gz MTRVYWPAYDOVSC-NXVVXOECSA-N 0 0 338.410 4.865 50 0 EJAARN CCCSc1ccccc1C(=O)N[C@@H](C)CCc1ccccc1 ZINC000004731911 201615277 /nfs/dbraw/zinc/61/52/77/201615277.db2.gz NSEJJOUDSFPCSB-INIZCTEOSA-N 0 0 327.493 4.940 50 0 EJAARN Cc1ccc([C@@H](CC(=O)Nc2ccc(C)c(F)c2)n2cccc2)cc1 ZINC000020997934 212198114 /nfs/dbraw/zinc/19/81/14/212198114.db2.gz MTTHKTZWDBZSGY-HXUWFJFHSA-N 0 0 336.410 4.862 50 0 EJAARN Cc1ccc(C)c(NC(=O)C[C@H](c2cccc(F)c2)n2cccc2)c1 ZINC000020998116 212197672 /nfs/dbraw/zinc/19/76/72/212197672.db2.gz LVLRGPPBZMVZSE-HXUWFJFHSA-N 0 0 336.410 4.862 50 0 EJAARN O=C(C[C@H](c1cccc(F)c1)n1cccc1)Nc1ccc(F)c(F)c1 ZINC000020998210 212197310 /nfs/dbraw/zinc/19/73/10/212197310.db2.gz MKLKAPYWKVIZHS-GOSISDBHSA-N 0 0 344.336 4.524 50 0 EJAARN CC(=O)c1cccc(NC(=O)C[C@@H](c2ccc(C)cc2)n2cccc2)c1 ZINC000020997909 212197182 /nfs/dbraw/zinc/19/71/82/212197182.db2.gz XPZHDNLYRBJMAC-NRFANRHFSA-N 0 0 346.430 4.617 50 0 EJAARN CCOc1ccccc1NC(=O)C[C@@H](c1ccccc1C)n1cccc1 ZINC000020998759 212197268 /nfs/dbraw/zinc/19/72/68/212197268.db2.gz HFGKEHOKMBDSEJ-FQEVSTJZSA-N 0 0 348.446 4.813 50 0 EJAARN Cc1ccc(S[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000004833018 201621818 /nfs/dbraw/zinc/62/18/18/201621818.db2.gz HOGSCRPXEXSVSK-ZIUDEIKKSA-N 0 0 329.509 4.561 50 0 EJAARN CC[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(F)cc2)N3)C1 ZINC000004545465 201605610 /nfs/dbraw/zinc/60/56/10/201605610.db2.gz HBDHUZYIASECNZ-MGPLVRAMSA-N 0 0 330.428 4.831 50 0 EJAARN Cc1cc(-c2cccc(-c3ccn(Cc4cscn4)n3)c2)cc(C)n1 ZINC000020993067 212194559 /nfs/dbraw/zinc/19/45/59/212194559.db2.gz IKTKPFAASJBEGL-UHFFFAOYSA-N 0 0 346.459 4.734 50 0 EJAARN CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2)N3)C1 ZINC000005274709 201645194 /nfs/dbraw/zinc/64/51/94/201645194.db2.gz FCPFDXUBFKRDPZ-GUYCJALGSA-N 0 0 340.492 4.753 50 0 EJAARN Cc1ccc2c(c1)CCN(C(=O)Nc1cccc(N3CCCCC3)c1)C2 ZINC000241144895 242986505 /nfs/dbraw/zinc/98/65/05/242986505.db2.gz JTYYSYURNFGSEM-UHFFFAOYSA-N 0 0 349.478 4.576 50 0 EJAARN CC[C@H]1c2ccc(C)n2CCN1C(=O)Nc1cccc(Cl)c1C ZINC000020900313 212184656 /nfs/dbraw/zinc/18/46/56/212184656.db2.gz JIMRGRHZJHIZRU-INIZCTEOSA-N 0 0 331.847 4.757 50 0 EJAARN CCC[C@@H]1c2ccc(C)n2CCN1C(=O)Nc1ccc(Cl)cc1 ZINC000020900211 212184086 /nfs/dbraw/zinc/18/40/86/212184086.db2.gz YZSUHHNWKOMDQM-MRXNPFEDSA-N 0 0 331.847 4.839 50 0 EJAARN C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccccc1F ZINC000006065866 201671981 /nfs/dbraw/zinc/67/19/81/201671981.db2.gz MZXNVOCHTZSQNU-OAHLLOKOSA-N 0 0 335.378 4.899 50 0 EJAARN CCCn1c(C)cc(C(=O)CN2c3cccc4cccc(c34)C2=O)c1C ZINC000006559161 201685922 /nfs/dbraw/zinc/68/59/22/201685922.db2.gz PUARVRPJKMOEPB-UHFFFAOYSA-N 0 0 346.430 4.511 50 0 EJAARN CCOC(=O)c1oc2cc3sc(N4CCCCC4)nc3cc2c1C ZINC000020860179 212177141 /nfs/dbraw/zinc/17/71/41/212177141.db2.gz LNLGQVOXHJFINE-UHFFFAOYSA-N 0 0 344.436 4.518 50 0 EJAARN Cc1ccccc1OCc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000006701979 201691067 /nfs/dbraw/zinc/69/10/67/201691067.db2.gz YVLOXEGDDFGLKX-UHFFFAOYSA-N 0 0 334.297 4.643 50 0 EJAARN Cc1ccc(OCCC(=O)O[C@@H](C)c2cnc3ccccc3c2)cc1 ZINC000064364832 202813838 /nfs/dbraw/zinc/81/38/38/202813838.db2.gz SQYSUHDVKAVJSY-INIZCTEOSA-N 0 0 335.403 4.617 50 0 EJAARN Cc1ccc(-c2nc(C(=O)Nc3ccc(C(C)C)cc3)cs2)n1C ZINC000064676600 202815703 /nfs/dbraw/zinc/81/57/03/202815703.db2.gz LDUURMHFGYKLOW-UHFFFAOYSA-N 0 0 339.464 4.833 50 0 EJAARN Cc1cccc(C[S@](=O)Cc2coc(-c3ccccc3Cl)n2)c1 ZINC000064841230 202819030 /nfs/dbraw/zinc/81/90/30/202819030.db2.gz HCPCRCVSUQEXNL-HSZRJFAPSA-N 0 0 345.851 4.752 50 0 EJAARN CCOc1ccccc1Nc1nnc(SC/C=C/Cl)s1 ZINC000020819145 212174357 /nfs/dbraw/zinc/17/43/57/212174357.db2.gz LAMHUVQIXKBVDV-VMPITWQZSA-N 0 0 327.862 4.525 50 0 EJAARN Cc1ccc(Oc2ccc(-c3noc(-c4ccccn4)n3)cc2)cc1 ZINC000065005168 202823220 /nfs/dbraw/zinc/82/32/20/202823220.db2.gz JYGRFHXWXDNJTA-UHFFFAOYSA-N 0 0 329.359 4.899 50 0 EJAARN CCc1nc2cc(-c3noc(-c4ccc5ccccc5n4)n3)ccc2o1 ZINC000065149772 202826114 /nfs/dbraw/zinc/82/61/14/202826114.db2.gz YGQPQGOPIFVUBQ-UHFFFAOYSA-N 0 0 342.358 4.655 50 0 EJAARN Clc1cc(-c2csc(NC[C@@H]3CCCO3)n2)c(Cl)s1 ZINC000020672968 212160008 /nfs/dbraw/zinc/16/00/08/212160008.db2.gz BWYAZCUSMGEZMC-ZETCQYMHSA-N 0 0 335.281 4.769 50 0 EJAARN CCc1cc(=O)oc2c(C)c3c(cc12)CN([C@H](C)c1ccccc1)CO3 ZINC000020609844 212154949 /nfs/dbraw/zinc/15/49/49/212154949.db2.gz WWJFFTLQBPNILR-OAHLLOKOSA-N 0 0 349.430 4.577 50 0 biogenic EJAARN CCc1cc(C(F)(F)F)c2c(C)nn(Cc3ccc(C)cc3)c2n1 ZINC000020605760 212154246 /nfs/dbraw/zinc/15/42/46/212154246.db2.gz WSQBEXGGHNGHSH-UHFFFAOYSA-N 0 0 333.357 4.678 50 0 EJAARN O=C(Nc1cccc(F)c1)C1=Cc2sc3c(c2CS1)CCCC3 ZINC000020557440 212146701 /nfs/dbraw/zinc/14/67/01/212146701.db2.gz ZFIKYQKVJPNRBB-UHFFFAOYSA-N 0 0 345.464 4.992 50 0 EJAARN Cc1ccccc1Nc1ncnc2onc(-c3ccc(Cl)cc3)c21 ZINC000020575076 212149097 /nfs/dbraw/zinc/14/90/97/212149097.db2.gz LJSOBGGOCXXLGU-UHFFFAOYSA-N 0 0 336.782 4.990 50 0 EJAARN Cc1ccc(NC(=O)c2cc3ccc4cccnc4c3[nH]2)c(Cl)c1 ZINC000020575461 212148905 /nfs/dbraw/zinc/14/89/05/212148905.db2.gz UKYFGUMGQCKJKK-UHFFFAOYSA-N 0 0 335.794 4.930 50 0 EJAARN C[C@@H](NC(=O)Nc1ccccc1C(F)(F)F)c1ccc(F)cc1 ZINC000020538207 212145216 /nfs/dbraw/zinc/14/52/16/212145216.db2.gz WRNGEZPPRRIFHH-SNVBAGLBSA-N 0 0 326.293 4.727 50 0 EJAARN CSc1ccsc1C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1 ZINC000069518692 203012533 /nfs/dbraw/zinc/01/25/33/203012533.db2.gz KBBCHEALDQLVSP-UHFFFAOYSA-N 0 0 348.493 4.707 50 0 EJAARN O=C([C@H]1CCCC(F)(F)C1)N(Cc1cccnc1)c1ccc(F)cc1 ZINC000252502227 243824797 /nfs/dbraw/zinc/82/47/97/243824797.db2.gz UNTORGUVGBXOBB-HNNXBMFYSA-N 0 0 348.368 4.579 50 0 EJAARN Cc1nn(C(C)C)c(C)c1NC(=O)c1ccc(-c2ccccc2)nc1C ZINC000069897252 203062064 /nfs/dbraw/zinc/06/20/64/203062064.db2.gz NXWILITUPAHJCI-UHFFFAOYSA-N 0 0 348.450 4.704 50 0 EJAARN Cc1ccc(CN(C(=O)c2ccncc2)[C@@H]2CCc3ccccc32)cc1 ZINC000069983014 203068983 /nfs/dbraw/zinc/06/89/83/203068983.db2.gz BDWRCBYFDHLAHN-JOCHJYFZSA-N 0 0 342.442 4.720 50 0 EJAARN CCc1ccc(NC(=O)c2nn(C)c3c2CSc2ccccc2-3)cc1 ZINC000020484992 212137396 /nfs/dbraw/zinc/13/73/96/212137396.db2.gz KPLDYJJFISZIHW-UHFFFAOYSA-N 0 0 349.459 4.508 50 0 EJAARN O=C1C[C@H](c2cccc(OC(F)F)c2)c2cnn(C3CCCC3)c2N1 ZINC000071282938 203090079 /nfs/dbraw/zinc/09/00/79/203090079.db2.gz UDXFGGOYANRGEE-CQSZACIVSA-N 0 0 347.365 4.723 50 0 EJAARN CSc1ccccc1[C@@](C)(O)[C@@H](c1ccccc1)c1ccccn1 ZINC000071767236 203111676 /nfs/dbraw/zinc/11/16/76/203111676.db2.gz GVVIRGZGDVHMFR-LEWJYISDSA-N 0 0 335.472 4.843 50 0 EJAARN CSc1ccc([C@@](C)(O)[C@H](c2ccccc2)c2ccccn2)cc1 ZINC000071767166 203111761 /nfs/dbraw/zinc/11/17/61/203111761.db2.gz BZMSVJSCYVEWBD-NHCUHLMSSA-N 0 0 335.472 4.843 50 0 EJAARN Nc1ccc(Oc2ccc(Br)cc2)c(C(F)(F)F)c1 ZINC000071790013 203112691 /nfs/dbraw/zinc/11/26/91/203112691.db2.gz AUXSRJRCMPOQSQ-UHFFFAOYSA-N 0 0 332.119 4.842 50 0 EJAARN CC(C)[C@@H]1C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)C1=O ZINC000253607817 244037850 /nfs/dbraw/zinc/03/78/50/244037850.db2.gz HSPBAJZIILLPKZ-WZPGBXLZSA-N 0 0 330.512 4.761 50 0 EJAARN CC(C)c1cc(Cn2ccnc2-c2ccc([C@@H]3CCCO3)s2)on1 ZINC000071715027 203105289 /nfs/dbraw/zinc/10/52/89/203105289.db2.gz HSVLYGIULYQYRM-HNNXBMFYSA-N 0 0 343.452 4.623 50 0 EJAARN CCOc1ccc(Cc2nc(-c3c(C)nc4ccccn43)cs2)cc1 ZINC000071773477 203111569 /nfs/dbraw/zinc/11/15/69/203111569.db2.gz CBKFVRMNQUKWPX-UHFFFAOYSA-N 0 0 349.459 4.756 50 0 EJAARN Cc1ccc(-n2c(Nc3cc(C)cc(C)c3)c3[nH]cccc-3c2=O)cc1 ZINC000020437410 212128722 /nfs/dbraw/zinc/12/87/22/212128722.db2.gz CEVDXQOOCCXMJJ-OAQYLSRUSA-N 0 0 343.430 4.778 50 0 EJAARN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc2cc[nH]c2c1 ZINC000071844245 203126841 /nfs/dbraw/zinc/12/68/41/203126841.db2.gz JWWIYNVVGDWQOE-PZJWPPBQSA-N 0 0 332.447 4.966 50 0 EJAARN C[C@H](Nc1cccc(CN2CCCCC2=O)c1)c1ccccc1F ZINC000071902639 203143998 /nfs/dbraw/zinc/14/39/98/203143998.db2.gz VEHXJPDDYZUQEV-HNNXBMFYSA-N 0 0 326.415 4.511 50 0 EJAARN CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)Cc1c(F)cccc1Cl ZINC000020337793 212120635 /nfs/dbraw/zinc/12/06/35/212120635.db2.gz LSVPVYMPCCZPIV-XJKSGUPXSA-N 0 0 325.855 4.743 50 0 EJAARN COc1ccc2c(C)c(C(=O)c3ccc(Br)cc3)oc2c1 ZINC000020298893 212118152 /nfs/dbraw/zinc/11/81/52/212118152.db2.gz MVTBBXGKCXOCST-UHFFFAOYSA-N 0 0 345.192 4.743 50 0 EJAARN CCc1ccc(C(=O)c2cc3cc(Br)ccc3o2)cc1 ZINC000020298879 212117982 /nfs/dbraw/zinc/11/79/82/212117982.db2.gz SVCPATLSFMATLO-UHFFFAOYSA-N 0 0 329.193 4.989 50 0 EJAARN C[C@H]1CCCC[C@@H]1OCc1nc2ccc(-c3ccccc3)cc2c(=O)[nH]1 ZINC000072051951 203159536 /nfs/dbraw/zinc/15/95/36/203159536.db2.gz JGVIGPQZUQUVSB-YWZLYKJASA-N 0 0 348.446 4.685 50 0 EJAARN CC(C)c1oc([C@H]2CCCN2C(=O)C2CCC2)nc1-c1ccccc1 ZINC000071916612 203151056 /nfs/dbraw/zinc/15/10/56/203151056.db2.gz FBRRCZOEQFTSSN-QGZVFWFLSA-N 0 0 338.451 4.929 50 0 EJAARN CCc1ccccc1Nc1c2[nH]cccc-2c(=O)n1-c1ccc(C)cc1 ZINC000020319594 212118960 /nfs/dbraw/zinc/11/89/60/212118960.db2.gz NVPZZNIQMQUGBN-NRFANRHFSA-N 0 0 343.430 4.724 50 0 EJAARN COc1ccc(-c2cc(NCc3ccccn3)nc3[nH]ccc32)cc1C ZINC000072149186 203171974 /nfs/dbraw/zinc/17/19/74/203171974.db2.gz KLWTVIFAKPFOJL-UHFFFAOYSA-N 0 0 344.418 4.554 50 0 EJAARN CCOc1ccc(Nc2nc(C(F)(F)F)nc3ccccc32)cc1 ZINC000072240699 203186104 /nfs/dbraw/zinc/18/61/04/203186104.db2.gz 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/nfs/dbraw/zinc/98/62/13/211986213.db2.gz CXLNWCZPHHMXAP-KRWDZBQOSA-N 0 0 330.815 4.718 50 0 EJAARN CN(Cc1cccc(Cl)c1Cl)C(=O)Nc1ccc(F)cc1 ZINC000018173504 211985167 /nfs/dbraw/zinc/98/51/67/211985167.db2.gz YDUSYOJRKVKNTJ-UHFFFAOYSA-N 0 0 327.186 4.796 50 0 EJAARN Cc1cccc(Oc2ccc(N3C(=O)[C@H]4CC[C@H](C)C[C@@H]4C3=O)cc2)c1 ZINC000018045392 211979212 /nfs/dbraw/zinc/97/92/12/211979212.db2.gz RPFXZAVVAHHALA-YSSFQJQWSA-N 0 0 349.430 4.713 50 0 EJAARN CSc1ccc([C@H]2NC(=S)N=C3c4ccccc4CCC32)cc1 ZINC000016972136 211944115 /nfs/dbraw/zinc/94/41/15/211944115.db2.gz RZGPTDYBDHMGOG-QGZVFWFLSA-N 0 0 338.501 4.696 50 0 EJAARN Cc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)c(C)c2)c(C)c1 ZINC000017025971 211946243 /nfs/dbraw/zinc/94/62/43/211946243.db2.gz IKQIHFVEPZXAQD-UHFFFAOYSA-N 0 0 343.434 4.793 50 0 EJAARN Cc1ccc(-c2cc(C(=O)OCc3ccccn3)c3ccccc3n2)o1 ZINC000016702660 211931268 /nfs/dbraw/zinc/93/12/68/211931268.db2.gz GJGOAONZDRDXAF-UHFFFAOYSA-N 0 0 344.370 4.555 50 0 EJAARN CC[C@H](Nc1ccc2c(c1)NC(=O)[C@H](C)O2)c1ccc(Cl)cc1 ZINC000078972536 217161864 /nfs/dbraw/zinc/16/18/64/217161864.db2.gz ONGNSVCFVFAFRC-NHYWBVRUSA-N 0 0 330.815 4.623 50 0 EJAARN O=C(CCC1CCCCC1)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000016604302 211919596 /nfs/dbraw/zinc/91/95/96/211919596.db2.gz DBYNYRUDTUNVNL-UHFFFAOYSA-N 0 0 342.483 4.612 50 0 EJAARN Cc1nc(-c2cc(C(=O)Nc3ccc(C(C)C)cc3)n(C)c2)cs1 ZINC000016202410 211889266 /nfs/dbraw/zinc/88/92/66/211889266.db2.gz HILLOPQLKHDLLH-UHFFFAOYSA-N 0 0 339.464 4.833 50 0 EJAARN Cc1cccc(NC(=O)CSc2nccn2C2CCCCC2)c1C ZINC000015825293 211856231 /nfs/dbraw/zinc/85/62/31/211856231.db2.gz QKSRFUAVFFFDHR-UHFFFAOYSA-N 0 0 343.496 4.736 50 0 EJAARN Cc1ccc(C)c([C@H](NC(=O)c2ccccc2C)c2cccnc2)c1 ZINC000015839814 211860797 /nfs/dbraw/zinc/86/07/97/211860797.db2.gz AOTNHWKIRWJVGG-OAQYLSRUSA-N 0 0 330.431 4.526 50 0 EJAARN COC(=O)c1c(Nc2ccc(C)cc2)onc1-c1ccc(Cl)cc1 ZINC000015821747 211854499 /nfs/dbraw/zinc/85/44/99/211854499.db2.gz FIZQVCZIUONXHY-UHFFFAOYSA-N 0 0 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Cc1cc(C(=O)Nc2ccc(C)c(Cl)c2)c(C)n1Cc1ccco1 ZINC000012781403 211455349 /nfs/dbraw/zinc/45/53/49/211455349.db2.gz SUQQMAGOCPXBDK-UHFFFAOYSA-N 0 0 342.826 4.960 50 0 EJAARN O=C1O/C(=C\c2cccnc2)C(c2ccccc2)=C1c1ccccc1 ZINC000012610362 211423146 /nfs/dbraw/zinc/42/31/46/211423146.db2.gz ONJGSSUHXUPBJR-RGEXLXHISA-N 0 0 325.367 4.590 50 0 EJAARN Fc1ccc(-c2c[nH]c(SCc3nc4ccccc4o3)n2)cc1 ZINC000012525754 211399493 /nfs/dbraw/zinc/39/94/93/211399493.db2.gz XPDIDTCKCXLBBO-UHFFFAOYSA-N 0 0 325.368 4.649 50 0 EJAARN Cc1ccc(C)c(Cn2c3ccccc3nc2[C@H](O)c2ccccc2)c1 ZINC000012447212 211384311 /nfs/dbraw/zinc/38/43/11/211384311.db2.gz OKQFDWXQQHKMDA-JOCHJYFZSA-N 0 0 342.442 4.783 50 0 EJAARN Cc1cc2nc(-c3cc(NC(=O)C(C)C)cc(C)c3O)oc2cc1C ZINC000012408631 211372195 /nfs/dbraw/zinc/37/21/95/211372195.db2.gz FAVUFDDCFXQUOR-UHFFFAOYSA-N 0 0 338.407 4.720 50 0 EJAARN COc1cccc(CC(=O)Nc2nc3ccc4ccccc4c3s2)c1 ZINC000012347818 211353794 /nfs/dbraw/zinc/35/37/94/211353794.db2.gz WTEVHCZXNYDZFB-UHFFFAOYSA-N 0 0 348.427 4.639 50 0 EJAARN O=C(Nc1ccc2ccccc2c1)C1=C(c2ccccc2)SCCO1 ZINC000012323514 211348115 /nfs/dbraw/zinc/34/81/15/211348115.db2.gz SOZJYCXVMJISDS-UHFFFAOYSA-N 0 0 347.439 4.911 50 0 EJAARN Cc1c2cc(C)cc(Cl)c2oc1C(=O)N(C)[C@@H](C)c1ccccn1 ZINC000012307467 211342608 /nfs/dbraw/zinc/34/26/08/211342608.db2.gz HGPROSHOHOPVCH-ZDUSSCGKSA-N 0 0 342.826 4.931 50 0 EJAARN CCn1ccnc1CN1CCc2c3ccccc3[nH]c2[C@@H]1CC(C)C ZINC000012307129 211342148 /nfs/dbraw/zinc/34/21/48/211342148.db2.gz QVRWXYBODPTNQQ-IBGZPJMESA-N 0 0 336.483 4.530 50 0 EJAARN Clc1ccc2oc(-c3ccccc3)c/c(=N\C[C@H]3CCCO3)c2c1 ZINC000012374218 211358444 /nfs/dbraw/zinc/35/84/44/211358444.db2.gz BPXYYHNYOVWVCL-XEFZIOHMSA-N 0 0 339.822 4.833 50 0 EJAARN Fc1ccc(CSc2nnc(-c3ccc(Cl)s3)o2)cc1 ZINC000012249098 211329576 /nfs/dbraw/zinc/32/95/76/211329576.db2.gz DDZWVXPPOHRCDU-UHFFFAOYSA-N 0 0 326.805 4.883 50 0 EJAARN O=C(CCCc1nc2ccccc2s1)Nc1ccc2c(c1)CCC2 ZINC000012210601 211322628 /nfs/dbraw/zinc/32/26/28/211322628.db2.gz RJCHYXAOPRFCPE-UHFFFAOYSA-N 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HFPCTVQNUOKYPY-GOSISDBHSA-N 0 0 337.398 4.603 50 0 EJAARN Cc1ccc2c(c1)CN(C(=O)CCCCc1ccccc1)C[C@@H](C)O2 ZINC000011999134 211277173 /nfs/dbraw/zinc/27/71/73/211277173.db2.gz MCYWHAOSORFGJI-GOSISDBHSA-N 0 0 337.463 4.518 50 0 EJAARN C[C@@H]1CN(Cc2ccc3ncccc3c2)Cc2cc(Cl)ccc2O1 ZINC000011913443 211267479 /nfs/dbraw/zinc/26/74/79/211267479.db2.gz QRXYMLDFPYAKAW-CQSZACIVSA-N 0 0 338.838 4.671 50 0 EJAARN O=C(NCC1(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1Cl ZINC000011899761 211264934 /nfs/dbraw/zinc/26/49/34/211264934.db2.gz CFXQKRDYDIEUDE-UHFFFAOYSA-N 0 0 338.209 4.594 50 0 EJAARN O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(-c2ccccc2)cc1 ZINC000011758735 211244756 /nfs/dbraw/zinc/24/47/56/211244756.db2.gz YQFSXKLTYBGONT-UHFFFAOYSA-N 0 0 345.398 4.767 50 0 EJAARN O=C(Nc1ccc(F)cc1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000011554374 211222145 /nfs/dbraw/zinc/22/21/45/211222145.db2.gz UOROYODLTBKGCY-UHFFFAOYSA-N 0 0 343.361 4.688 50 0 EJAARN CCC[C@@H](O)c1nc2ccccc2n1CCOc1ccccc1Cl ZINC000011692492 211235440 /nfs/dbraw/zinc/23/54/40/211235440.db2.gz YWWMTMCPOJXCSH-QGZVFWFLSA-N 0 0 344.842 4.602 50 0 EJAARN O=C(CNc1ccccc1Sc1ccccc1)NC1CCCCC1 ZINC000011619573 211226421 /nfs/dbraw/zinc/22/64/21/211226421.db2.gz LIWWATLGJDUDMP-UHFFFAOYSA-N 0 0 340.492 4.699 50 0 EJAARN CC[C@H](c1ccncc1)n1cc(-c2cccc(Cl)c2Cl)nn1 ZINC000091915508 218088137 /nfs/dbraw/zinc/08/81/37/218088137.db2.gz NAPLVHQXCGLUQE-OAHLLOKOSA-N 0 0 333.222 4.646 50 0 EJAARN Cc1sc2[nH]c(SC(C)C)nc(=O)c2c1-c1ccc(F)cc1 ZINC000011541287 211221471 /nfs/dbraw/zinc/22/14/71/211221471.db2.gz QKTLLLYWCZQYJQ-UHFFFAOYSA-N 0 0 334.441 4.600 50 0 EJAARN Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccccc1C(C)(C)C)C2 ZINC000011429893 211216379 /nfs/dbraw/zinc/21/63/79/211216379.db2.gz MMCXLXUSYVJVJR-GOSISDBHSA-N 0 0 325.477 4.948 50 0 EJAARN O=C(NCc1coc(-c2cccs2)n1)Nc1cccc2ccccc21 ZINC000011007769 211200266 /nfs/dbraw/zinc/20/02/66/211200266.db2.gz TXPFIIQFSGOABZ-UHFFFAOYSA-N 0 0 349.415 4.878 50 0 EJAARN CC[C@@H](C)c1ccc(N[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1 ZINC000011157471 211205104 /nfs/dbraw/zinc/20/51/04/211205104.db2.gz HDHOEALXDLFSSP-JLTOFOAXSA-N 0 0 340.442 4.771 50 0 EJAARN CCn1c2ccccc2nc1NC(=O)c1cccc(Cl)c1Cl ZINC000010651464 211184343 /nfs/dbraw/zinc/18/43/43/211184343.db2.gz QEWGYXGDVAEERW-UHFFFAOYSA-N 0 0 334.206 4.615 50 0 EJAARN Cc1ccc(-c2nc(CSc3ccc(Cl)nn3)cs2)cc1 ZINC000010653545 211183946 /nfs/dbraw/zinc/18/39/46/211183946.db2.gz JJWUAKQFDWGYAD-UHFFFAOYSA-N 0 0 333.869 4.854 50 0 EJAARN CCC[C@H](C(=O)NCc1coc(-c2cccs2)n1)c1ccccc1 ZINC000010869799 211193441 /nfs/dbraw/zinc/19/34/41/211193441.db2.gz DEHVZFLTOQVBFD-INIZCTEOSA-N 0 0 340.448 4.603 50 0 EJAARN CC(=O)c1cccc(OCc2ccc(C(=O)Nc3ccccc3)cc2)c1 ZINC000010855890 211192303 /nfs/dbraw/zinc/19/23/03/211192303.db2.gz AKQXOMIARJOJJT-UHFFFAOYSA-N 0 0 345.398 4.721 50 0 EJAARN O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1cc(F)cc(F)c1 ZINC000010427283 211171738 /nfs/dbraw/zinc/17/17/38/211171738.db2.gz ILPCJZPLDQOJMW-UHFFFAOYSA-N 0 0 349.340 4.556 50 0 EJAARN COc1cc(CC(=O)Nc2ccccc2-c2ccccc2)ccc1C ZINC000010411970 211171195 /nfs/dbraw/zinc/17/11/95/211171195.db2.gz IUZGCQYMDPRPRN-UHFFFAOYSA-N 0 0 331.415 4.852 50 0 EJAARN Cc1csc(NC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)n1 ZINC000010555382 211181754 /nfs/dbraw/zinc/18/17/54/211181754.db2.gz NPQQUXJZTFKMSJ-UHFFFAOYSA-N 0 0 349.868 4.789 50 0 EJAARN COc1ccc(NC(=O)Cc2ccc(SC)cc2)c2ccccc12 ZINC000010252358 211157498 /nfs/dbraw/zinc/15/74/98/211157498.db2.gz RZWDLFBTFUTQPE-UHFFFAOYSA-N 0 0 337.444 4.752 50 0 EJAARN CCSc1ccc(CC(=O)Nc2nc3c(cccc3F)s2)cc1 ZINC000010252527 211157125 /nfs/dbraw/zinc/15/71/25/211157125.db2.gz SWKKQVOVCMZVJE-UHFFFAOYSA-N 0 0 346.452 4.729 50 0 EJAARN CC(=O)c1cccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)c1 ZINC000010026203 211141800 /nfs/dbraw/zinc/14/18/00/211141800.db2.gz YRCVYVAXUSSIRA-CYBMUJFWSA-N 0 0 346.430 4.748 50 0 EJAARN O=C(c1cccc(Cl)c1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000009996090 211138980 /nfs/dbraw/zinc/13/89/80/211138980.db2.gz YFTAXOIGFGLJCW-OAHLLOKOSA-N 0 0 342.851 4.927 50 0 EJAARN O=C1C[C@@H](c2cccc(Cl)c2)Cc2nc(Nc3ccccc3)ncc21 ZINC000009969149 211137859 /nfs/dbraw/zinc/13/78/59/211137859.db2.gz ISCGTTWWUJOEGP-AWEZNQCLSA-N 0 0 349.821 4.786 50 0 EJAARN Cc1cc(C(=O)Nc2ncc(Cc3cccc(C)c3)s2)c(C)o1 ZINC000009910689 211132767 /nfs/dbraw/zinc/13/27/67/211132767.db2.gz ZCRWRBCZSXETTC-UHFFFAOYSA-N 0 0 326.421 4.504 50 0 EJAARN CC[C@H](C)c1ccc([C@H](NC(=O)NCc2ccccn2)C(C)C)cc1 ZINC000009794758 211124530 /nfs/dbraw/zinc/12/45/30/211124530.db2.gz WSKGJHIHQFFYOU-OXJNMPFZSA-N 0 0 339.483 4.792 50 0 EJAARN Cc1coc(C)c1C(=O)Nc1ncc(Cc2ccc(C)cc2)s1 ZINC000009763969 211122491 /nfs/dbraw/zinc/12/24/91/211122491.db2.gz OQWQXPUBIPMIRW-UHFFFAOYSA-N 0 0 326.421 4.504 50 0 EJAARN Cc1cc(C)cc(NC(=O)NCc2cccn2Cc2ccccc2C)c1 ZINC000009724007 211119304 /nfs/dbraw/zinc/11/93/04/211119304.db2.gz PZWNCRJJXJVOIB-UHFFFAOYSA-N 0 0 347.462 4.783 50 0 EJAARN C[C@@H](NC(=O)NCc1cccc(Cl)c1)c1cc2ccccc2o1 ZINC000009710564 211117719 /nfs/dbraw/zinc/11/77/19/211117719.db2.gz DOSHTXDBYCHISZ-GFCCVEGCSA-N 0 0 328.799 4.647 50 0 EJAARN COc1ccc(CC(=O)Nc2ccccc2-c2cccs2)cc1F ZINC000009691202 211114801 /nfs/dbraw/zinc/11/48/01/211114801.db2.gz YCJKXOQWKHBTQS-UHFFFAOYSA-N 0 0 341.407 4.744 50 0 EJAARN Cc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C(C)(C)C)C4)o1 ZINC000009667355 211112165 /nfs/dbraw/zinc/11/21/65/211112165.db2.gz AQSCTDAVXVHARM-NSHDSACASA-N 0 0 342.464 4.704 50 0 EJAARN O=C(NCCSc1ccc(Cl)cc1)c1cc2ccccc2o1 ZINC000009584438 211106009 /nfs/dbraw/zinc/10/60/09/211106009.db2.gz BNZBEIKCUIYDSR-UHFFFAOYSA-N 0 0 331.824 4.608 50 0 EJAARN CC(C)CCNC(=O)c1cc(OCc2ccccc2)nc2ccccc21 ZINC000009587715 211105517 /nfs/dbraw/zinc/10/55/17/211105517.db2.gz MKNCPXKGJVAFSP-UHFFFAOYSA-N 0 0 348.446 4.590 50 0 EJAARN CCn1c(SCc2cccc3ccccc32)nnc1-c1cccnc1 ZINC000009594940 211105267 /nfs/dbraw/zinc/10/52/67/211105267.db2.gz WXMWWRZGYJEEHH-UHFFFAOYSA-N 0 0 346.459 4.806 50 0 EJAARN CC(C)c1ccc(CCNC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1 ZINC000009501727 211092935 /nfs/dbraw/zinc/09/29/35/211092935.db2.gz QPDHNEUPSBVOPS-INIZCTEOSA-N 0 0 342.458 4.894 50 0 EJAARN Cc1ccc(CNC(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cc1 ZINC000009533210 211099663 /nfs/dbraw/zinc/09/96/63/211099663.db2.gz DIMKMBNNCZFKBS-CYBMUJFWSA-N 0 0 336.357 4.574 50 0 EJAARN Cc1ccc(NC(=O)N2CCn3cccc3[C@@H]2C(C)C)c(Cl)c1 ZINC000009528266 211098641 /nfs/dbraw/zinc/09/86/41/211098641.db2.gz RLHPNWWNXNOANL-KRWDZBQOSA-N 0 0 331.847 4.695 50 0 EJAARN C[C@@H](NC(=O)c1ccc2noc(-c3ccccc3)c2c1)c1ccccc1 ZINC000009528915 211098126 /nfs/dbraw/zinc/09/81/26/211098126.db2.gz SHBDOEWKPKWOPA-OAHLLOKOSA-N 0 0 342.398 4.986 50 0 EJAARN COc1cccc(-c2ocnc2C(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000009527321 211097468 /nfs/dbraw/zinc/09/74/68/211097468.db2.gz VMRCTWOHYNMXKN-UHFFFAOYSA-N 0 0 336.391 4.726 50 0 EJAARN COc1ccccc1NC(=O)c1cc2c(s1)-c1ccsc1CC2 ZINC000009527150 211096665 /nfs/dbraw/zinc/09/66/65/211096665.db2.gz LSFVYXZYVNBGIX-UHFFFAOYSA-N 0 0 341.457 4.836 50 0 EJAARN Cc1nnc(Sc2nc(-c3ccsc3)nc3ccccc32)s1 ZINC000009484093 211091067 /nfs/dbraw/zinc/09/10/67/211091067.db2.gz RXGKGKDOVDZVCL-UHFFFAOYSA-N 0 0 342.474 4.669 50 0 EJAARN C[C@@H](Nc1ccc2oc3ccccc3c2c1)C(=O)N1CCCCCC1 ZINC000009364355 211073592 /nfs/dbraw/zinc/07/35/92/211073592.db2.gz NPZNWHHLALRYIT-OAHLLOKOSA-N 0 0 336.435 4.789 50 0 EJAARN Cc1ccc2nc3c(cc2c1)c(NC(=O)CC(C)C)nn3CC(C)C ZINC000009361209 211072949 /nfs/dbraw/zinc/07/29/49/211072949.db2.gz OHRGUFHWAWIWCR-UHFFFAOYSA-N 0 0 338.455 4.534 50 0 EJAARN C[C@H]1CCCC[C@]12CCc1cc3c(cc1O2)oc(=O)c1c3CCCC1 ZINC000009341931 211071461 /nfs/dbraw/zinc/07/14/61/211071461.db2.gz RYANGRYRTYPUCU-FPTDNZKUSA-N 0 0 338.447 4.946 50 0 EJAARN O=C(Nc1cc(-c2ccc(F)c(F)c2)no1)c1cccc(Cl)c1 ZINC000009250596 211057966 /nfs/dbraw/zinc/05/79/66/211057966.db2.gz DQUGTACGMOPNAS-UHFFFAOYSA-N 0 0 334.709 4.526 50 0 EJAARN C/C=C/c1ccc(OCCSc2nc3ccccc3[nH]2)c(OC)c1 ZINC000009250287 211058290 /nfs/dbraw/zinc/05/82/90/211058290.db2.gz VIQKMWCRLUGFTL-ZZXKWVIFSA-N 0 0 340.448 4.776 50 0 biogenic EJAARN Cc1ccc(-c2nc3nc(C)cc(Nc4ccc(Cl)cc4)n3n2)cc1 ZINC000009207068 211053056 /nfs/dbraw/zinc/05/30/56/211053056.db2.gz ZBINTWIQHORXTG-UHFFFAOYSA-N 0 0 349.825 4.805 50 0 EJAARN Cc1ccc(-c2noc(CCCC(=O)Nc3cc(C)ccc3C)n2)cc1 ZINC000009196475 211052015 /nfs/dbraw/zinc/05/20/15/211052015.db2.gz YYKQKTVBUSJDNR-UHFFFAOYSA-N 0 0 349.434 4.623 50 0 EJAARN CCc1ccccc1Nc1cc(C)nc2nc(-c3ccc(C)cc3)nn21 ZINC000009185311 211048216 /nfs/dbraw/zinc/04/82/16/211048216.db2.gz URMYVQPDJOXNRR-UHFFFAOYSA-N 0 0 343.434 4.714 50 0 EJAARN CCc1ccc(Nc2cc(C)nc3nc(-c4ccc(C)cc4)nn32)cc1 ZINC000009185303 211048039 /nfs/dbraw/zinc/04/80/39/211048039.db2.gz GZUOJEBUMFDZPE-UHFFFAOYSA-N 0 0 343.434 4.714 50 0 EJAARN Fc1cc(Cl)cc(Br)c1OC(Cl)(Cl)Cl ZINC000095215438 218282896 /nfs/dbraw/zinc/28/28/96/218282896.db2.gz QCYAREXRTOIHIX-UHFFFAOYSA-N 0 0 342.806 4.948 50 0 EJAARN Cc1cc(C(=O)Nc2nc(-c3cccc4ccccc43)cs2)no1 ZINC000009203970 211051434 /nfs/dbraw/zinc/05/14/34/211051434.db2.gz IMXOXSMBLLIMGP-UHFFFAOYSA-N 0 0 335.388 4.512 50 0 EJAARN Cc1cccc(-c2noc(CCCC(=O)Nc3cc(C)ccc3C)n2)c1 ZINC000009196393 211051167 /nfs/dbraw/zinc/05/11/67/211051167.db2.gz MZGGNZHOUFNNOM-UHFFFAOYSA-N 0 0 349.434 4.623 50 0 EJAARN CN(C(=O)NCc1ccsc1)C1CCC(c2ccccc2)CC1 ZINC000095351278 218286169 /nfs/dbraw/zinc/28/61/69/218286169.db2.gz ALOPOKANGNETGL-UHFFFAOYSA-N 0 0 328.481 4.616 50 0 EJAARN CC(C)(C)C(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl ZINC000009063969 211037883 /nfs/dbraw/zinc/03/78/83/211037883.db2.gz WCPMDJXSVCNXPB-UHFFFAOYSA-N 0 0 327.815 4.868 50 0 EJAARN CC(C)CCSc1nc2ccccc2c2nc(-c3ccco3)nn21 ZINC000009053901 211036325 /nfs/dbraw/zinc/03/63/25/211036325.db2.gz NBUQHIDHAGSBBE-UHFFFAOYSA-N 0 0 338.436 4.676 50 0 EJAARN Cc1ccccc1CC(=O)Nc1cccnc1Oc1cccc(C)c1C ZINC000095360993 218294358 /nfs/dbraw/zinc/29/43/58/218294358.db2.gz RUEJXYKAECTEFJ-UHFFFAOYSA-N 0 0 346.430 4.980 50 0 EJAARN CC(C)CC[C@]1(CC(=O)Nc2cncs2)CCO[C@H](C(C)C)C1 ZINC000008992117 211028090 /nfs/dbraw/zinc/02/80/90/211028090.db2.gz VVVCWIBWABJZOL-YJBOKZPZSA-N 0 0 338.517 4.729 50 0 EJAARN COc1ccc(N[C@@H](C)c2nc(-c3ccccc3)no2)cc1Cl ZINC000008920086 211019159 /nfs/dbraw/zinc/01/91/59/211019159.db2.gz NXFMSETUUOWLEE-NSHDSACASA-N 0 0 329.787 4.572 50 0 EJAARN COc1ccc(Cl)cc1NC(=O)c1cc(Cl)sc1Cl ZINC000008924092 211018649 /nfs/dbraw/zinc/01/86/49/211018649.db2.gz AHFPBZMYPJUJJY-UHFFFAOYSA-N 0 0 336.627 4.969 50 0 EJAARN O=C(Nc1cccc(C2SCCCS2)c1)[C@H]1C[C@H]1c1ccco1 ZINC000095381716 218313101 /nfs/dbraw/zinc/31/31/01/218313101.db2.gz JIUZKCXZMLZPBV-CABCVRRESA-N 0 0 345.489 4.891 50 0 EJAARN O=C(NCc1ccc(F)cc1)[C@@H]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000008912262 211017443 /nfs/dbraw/zinc/01/74/43/211017443.db2.gz DOBXJQDJTUPTEL-QGZVFWFLSA-N 0 0 348.421 4.807 50 0 EJAARN CCCc1cc(Nc2ccccc2)n2nc3nc(C)cc(C)c3c2n1 ZINC000008843995 211010726 /nfs/dbraw/zinc/01/07/26/211010726.db2.gz VRTOACXVMMOITM-UHFFFAOYSA-N 0 0 331.423 4.590 50 0 EJAARN Clc1ccccc1OCCSc1nnc(-c2cccs2)o1 ZINC000008830968 211009071 /nfs/dbraw/zinc/00/90/71/211009071.db2.gz XJJPJZKUJRGORS-UHFFFAOYSA-N 0 0 338.841 4.623 50 0 EJAARN CC(C)OCc1ccc(C(=O)N[C@H]2CCSc3ccccc32)cc1 ZINC000008880368 211015510 /nfs/dbraw/zinc/01/55/10/211015510.db2.gz ARRNWXRNIJUIGJ-SFHVURJKSA-N 0 0 341.476 4.579 50 0 EJAARN COc1cc(C)c(NC(=O)C2CCC(C(C)(C)C)CC2)cc1OC ZINC000008852976 211013008 /nfs/dbraw/zinc/01/30/08/211013008.db2.gz KGONWHKAGKKJFH-UHFFFAOYSA-N 0 0 333.472 4.803 50 0 EJAARN CC(C)Nc1nnc(SCCCOc2ccc(Cl)cc2)s1 ZINC000008852294 211012215 /nfs/dbraw/zinc/01/22/15/211012215.db2.gz XQTSCXNPNJMYBP-UHFFFAOYSA-N 0 0 343.905 4.573 50 0 EJAARN COCCCSc1ccc(NC(=O)N(C)[C@H](C)c2ccco2)cc1 ZINC000095396257 218327719 /nfs/dbraw/zinc/32/77/19/218327719.db2.gz LOJFBUSEQLABNA-CQSZACIVSA-N 0 0 348.468 4.633 50 0 EJAARN COCCCSc1ccc(NC(=O)N(C)[C@@H](C)c2ccco2)cc1 ZINC000095396256 218328293 /nfs/dbraw/zinc/32/82/93/218328293.db2.gz LOJFBUSEQLABNA-AWEZNQCLSA-N 0 0 348.468 4.633 50 0 EJAARN O=C(Nc1nnc(-c2ccccc2)s1)Nc1ccc(Cl)cc1 ZINC000008742733 210996622 /nfs/dbraw/zinc/99/66/22/210996622.db2.gz NXXFOZPZMBBPAA-UHFFFAOYSA-N 0 0 330.800 4.503 50 0 EJAARN c1sc(-c2ccccc2)nc1CSCc1nnc(C2CC2)o1 ZINC000095403746 218338841 /nfs/dbraw/zinc/33/88/41/218338841.db2.gz RIOBHMCSZBRJIE-UHFFFAOYSA-N 0 0 329.450 4.504 50 0 EJAARN COc1cc(CSCc2nnc(C(C)(C)C)o2)ccc1SC ZINC000095412912 218350387 /nfs/dbraw/zinc/35/03/87/218350387.db2.gz NUHQXWRJLWOPLD-UHFFFAOYSA-N 0 0 338.498 4.531 50 0 EJAARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C1=CCCC1 ZINC000095414597 218352548 /nfs/dbraw/zinc/35/25/48/218352548.db2.gz RXZPWCUINJJIQI-MRXNPFEDSA-N 0 0 348.446 4.569 50 0 EJAARN O=C(Cc1ccc(-c2ccccc2)cc1)OCc1nc2ccccc2o1 ZINC000008450023 210954451 /nfs/dbraw/zinc/95/44/51/210954451.db2.gz HJSLQADLCVXVND-UHFFFAOYSA-N 0 0 343.382 4.781 50 0 EJAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1ncnc2ccccc21 ZINC000008395266 210949336 /nfs/dbraw/zinc/94/93/36/210949336.db2.gz KTECRJNXGQCZJH-ZDUSSCGKSA-N 0 0 347.443 4.783 50 0 EJAARN CCCOc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 ZINC000008393412 210948080 /nfs/dbraw/zinc/94/80/80/210948080.db2.gz WTYIFMCFIOSNBD-UHFFFAOYSA-N 0 0 346.430 4.714 50 0 EJAARN O=C(NCc1ccco1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000008327816 210936925 /nfs/dbraw/zinc/93/69/25/210936925.db2.gz CACJZDYNWYDCPQ-UHFFFAOYSA-N 0 0 344.370 4.532 50 0 EJAARN CC(=O)c1cccc(Oc2nc(C(F)(F)F)nc3ccccc32)c1 ZINC000008325968 210936243 /nfs/dbraw/zinc/93/62/43/210936243.db2.gz AEPHVWHONBOMQS-UHFFFAOYSA-N 0 0 332.281 4.644 50 0 EJAARN O=C(c1ccc(-c2ccccc2F)o1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000008306006 210929512 /nfs/dbraw/zinc/92/95/12/210929512.db2.gz CLWDBNQVMZEEMR-GJZGRUSLSA-N 0 0 327.399 4.738 50 0 EJAARN O=C(Cc1csc(-c2cccs2)n1)Nc1cccc2[nH]ccc21 ZINC000095474714 218408788 /nfs/dbraw/zinc/40/87/88/218408788.db2.gz FXCXGEZLAXTQGL-UHFFFAOYSA-N 0 0 339.445 4.534 50 0 EJAARN Cc1cc2cc(NC(=O)N(CC3CCC3)C[C@@H]3CCCO3)ccc2o1 ZINC000095516743 218424171 /nfs/dbraw/zinc/42/41/71/218424171.db2.gz UQYBTNRHQGTPEU-SFHVURJKSA-N 0 0 342.439 4.554 50 0 EJAARN c1cc2c(ncnc2Sc2nc(-c3ccccc3)cs2)s1 ZINC000008120158 210898184 /nfs/dbraw/zinc/89/81/84/210898184.db2.gz PUDMTEPGVIMJEH-UHFFFAOYSA-N 0 0 327.459 4.966 50 0 EJAARN CCN(Cc1cccs1)C(=O)c1ccc(C(=O)c2ccccc2)cc1 ZINC000008073052 210890796 /nfs/dbraw/zinc/89/07/96/210890796.db2.gz QLITVTGRCHAMOQ-UHFFFAOYSA-N 0 0 349.455 4.641 50 0 EJAARN CCc1ccc([C@@H](NC(=O)/C=C/c2ccco2)c2cccs2)cc1 ZINC000008062268 210888334 /nfs/dbraw/zinc/88/83/34/210888334.db2.gz JZIPLJPRRVDHTL-YVNCXZRQSA-N 0 0 337.444 4.823 50 0 EJAARN Fc1ccc(-c2nnc(CNc3cc(Cl)ccc3Cl)o2)cc1 ZINC000095952509 218460872 /nfs/dbraw/zinc/46/08/72/218460872.db2.gz RAZGPNXCNVVPML-UHFFFAOYSA-N 0 0 338.169 4.795 50 0 EJAARN C[C@H](c1nnc(-c2cccs2)o1)N1CCC[C@@H]1c1cccs1 ZINC000007918069 210864146 /nfs/dbraw/zinc/86/41/46/210864146.db2.gz MBNJTGXWKFACMX-VXGBXAGGSA-N 0 0 331.466 4.758 50 0 EJAARN Cc1ccc2c(CC(=O)N[C@@H]3CCSc4ccccc43)coc2c1 ZINC000007779167 210845556 /nfs/dbraw/zinc/84/55/56/210845556.db2.gz ZQERBLZJLVFVNP-QGZVFWFLSA-N 0 0 337.444 4.637 50 0 EJAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)/C=C/c1ccc(F)cc1 ZINC000007706112 210834962 /nfs/dbraw/zinc/83/49/62/210834962.db2.gz GWEBMZOMWUNQHZ-SRXBQZRASA-N 0 0 340.423 4.668 50 0 EJAARN COc1ccc2oc(C(=O)N3CCC[C@@H]4CCCC[C@@H]43)c(C)c2c1 ZINC000007689999 210832459 /nfs/dbraw/zinc/83/24/59/210832459.db2.gz SORNPEHOJDVEMC-YOEHRIQHSA-N 0 0 327.424 4.545 50 0 EJAARN CCc1cc(-c2n[nH]c(C)c2Oc2ccc(Cl)cc2)c(O)cc1O ZINC000007735922 210840273 /nfs/dbraw/zinc/84/02/73/210840273.db2.gz FYUWAPKNNHTLOB-UHFFFAOYSA-N 0 0 344.798 4.804 50 0 EJAARN Cc1ccc(/C=C/C(=O)N(CC(F)(F)F)[C@H](C)C2CC2)cc1Cl ZINC000007734647 210839560 /nfs/dbraw/zinc/83/95/60/210839560.db2.gz QJGCSELPIZDJSR-FZKGZDJFSA-N 0 0 345.792 4.851 50 0 EJAARN O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)C1CCCC1 ZINC000007670843 210829216 /nfs/dbraw/zinc/82/92/16/210829216.db2.gz UOPSWQKZAUXTMN-UHFFFAOYSA-N 0 0 328.393 4.792 50 0 EJAARN CCc1nn2c(nc(C)cc2NCc2ccccc2)c1-c1ccccc1 ZINC000007636232 210823497 /nfs/dbraw/zinc/82/34/97/210823497.db2.gz GMZWQQJTUMCGNC-UHFFFAOYSA-N 0 0 342.446 4.879 50 0 EJAARN Cc1cc(Nc2ncnc3c4ccccc4oc32)nn1[C@H](C)C1CC1 ZINC000096009799 218511441 /nfs/dbraw/zinc/51/14/41/218511441.db2.gz MOCJPMIRXFGKHG-GFCCVEGCSA-N 0 0 333.395 4.596 50 0 EJAARN CCOc1ccccc1NC(=O)c1sc(-c2ccsc2)nc1C ZINC000007404847 210794976 /nfs/dbraw/zinc/79/49/76/210794976.db2.gz QRIAECUNFINWOQ-UHFFFAOYSA-N 0 0 344.461 4.831 50 0 EJAARN Cc1nc(-c2ccc(-n3nncc3-c3ccc(C)cc3)cc2)cs1 ZINC000006940619 210747138 /nfs/dbraw/zinc/74/71/38/210747138.db2.gz SWVMJLOSTUWBCU-UHFFFAOYSA-N 0 0 332.432 4.675 50 0 EJAARN CC(C)n1ccc2cc(C(=O)N[C@@H](C)c3nc4ccccc4[nH]3)ccc21 ZINC000096118469 218611640 /nfs/dbraw/zinc/61/16/40/218611640.db2.gz CZZFPZBBPMPLFP-AWEZNQCLSA-N 0 0 346.434 4.590 50 0 EJAARN Cc1cc(Nc2ccc(Cl)cc2)n2nc(-c3ccccc3C)nc2n1 ZINC000006748204 210700130 /nfs/dbraw/zinc/70/01/30/210700130.db2.gz XGWZVNJSLOKYGA-UHFFFAOYSA-N 0 0 349.825 4.805 50 0 EJAARN Cc1ccc(F)cc1NC(=O)CSc1cc(C)c2ccccc2n1 ZINC000006788608 210712957 /nfs/dbraw/zinc/71/29/57/210712957.db2.gz WPKQNWJHHHAVGD-UHFFFAOYSA-N 0 0 340.423 4.722 50 0 EJAARN CN(C(=O)Nc1cccc(-c2ccc(Cl)cc2)c1)C1CCOCC1 ZINC000096162269 218638709 /nfs/dbraw/zinc/63/87/09/218638709.db2.gz FACJKJAXWCTWMA-UHFFFAOYSA-N 0 0 344.842 4.650 50 0 EJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc(F)c(F)c1 ZINC000096170902 218640627 /nfs/dbraw/zinc/64/06/27/218640627.db2.gz FNSXVNHRLKLKKO-UHFFFAOYSA-N 0 0 332.228 4.507 50 0 EJAARN Cc1ccccc1CNC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000096171184 218640729 /nfs/dbraw/zinc/64/07/29/218640729.db2.gz PYKMXZACTHYQOA-UHFFFAOYSA-N 0 0 342.748 4.989 50 0 EJAARN Clc1ccc2[nH]c(SCc3nnc(-c4cccs4)o3)nc2c1 ZINC000006650309 210669387 /nfs/dbraw/zinc/66/93/87/210669387.db2.gz WUKMSNANXPJXDC-UHFFFAOYSA-N 0 0 348.840 4.620 50 0 EJAARN CCCCOc1ccc(C(=O)Nc2ccccc2N2CCCC2)cc1 ZINC000006569801 210655705 /nfs/dbraw/zinc/65/57/05/210655705.db2.gz LWNXMOLBNHHUQD-UHFFFAOYSA-N 0 0 338.451 4.718 50 0 EJAARN COc1ccccc1Nc1nnc(SCc2ccccc2)s1 ZINC000006508908 210643802 /nfs/dbraw/zinc/64/38/02/210643802.db2.gz RSQQYQOHTHAVCA-UHFFFAOYSA-N 0 0 329.450 4.583 50 0 EJAARN O=C(CC(c1ccccc1)c1ccccc1)OCC(=O)c1ccccc1 ZINC000006507255 210643576 /nfs/dbraw/zinc/64/35/76/210643576.db2.gz ZQPFUOZRVKFLDT-UHFFFAOYSA-N 0 0 344.410 4.635 50 0 EJAARN CCOc1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000006340927 210621395 /nfs/dbraw/zinc/62/13/95/210621395.db2.gz LTORZFHZBVZYNM-UHFFFAOYSA-N 0 0 331.415 4.934 50 0 EJAARN O=C(NCc1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000006337449 210620582 /nfs/dbraw/zinc/62/05/82/210620582.db2.gz NLISICZHMWHDPP-UHFFFAOYSA-N 0 0 347.258 4.654 50 0 EJAARN Cc1cc(Nc2ncc(Cl)cc2Cl)n(-c2ccccc2C)n1 ZINC000006303098 210614448 /nfs/dbraw/zinc/61/44/48/210614448.db2.gz HRESVQQCQHVPCR-UHFFFAOYSA-N 0 0 333.222 4.935 50 0 EJAARN C[C@@H](OC(=O)c1sc2ccccc2c1Cl)C(=O)c1ccccc1 ZINC000006267234 210609145 /nfs/dbraw/zinc/60/91/45/210609145.db2.gz ZPKPSGZMLZWQJC-LLVKDONJSA-N 0 0 344.819 4.983 50 0 EJAARN O=C(CNc1ccccc1Oc1ccccc1)Nc1ccccc1F ZINC000006250114 210606354 /nfs/dbraw/zinc/60/63/54/210606354.db2.gz MDLDHQHKKNBOBS-UHFFFAOYSA-N 0 0 336.366 4.669 50 0 EJAARN O=c1cc(CNc2ccc(Cl)cc2F)c2cc3c(cc2o1)CCC3 ZINC000006224527 210603743 /nfs/dbraw/zinc/60/37/43/210603743.db2.gz YZTPVIJRUJTSRE-UHFFFAOYSA-N 0 0 343.785 4.686 50 0 EJAARN CCCOc1c(Cl)cc(C(=O)Nc2ccccc2C)cc1OC ZINC000006204575 210600113 /nfs/dbraw/zinc/60/01/13/210600113.db2.gz CFRBAJXVSLOBBN-UHFFFAOYSA-N 0 0 333.815 4.698 50 0 EJAARN Fc1cccc(Cl)c1CSc1nc2cc(Cl)cnc2[nH]1 ZINC000006188131 210599133 /nfs/dbraw/zinc/59/91/33/210599133.db2.gz UKPNMWXDVDBGDA-UHFFFAOYSA-N 0 0 328.199 4.696 50 0 EJAARN CC[C@@H](C)c1ccc(NC(=O)[C@H](C)Oc2ccccc2OC)cc1 ZINC000012922822 207265032 /nfs/dbraw/zinc/26/50/32/207265032.db2.gz KCONPESHZMGZJV-CABCVRRESA-N 0 0 327.424 4.615 50 0 EJAARN CC(C)(C)c1ccc(-c2csc(NC(=O)c3cccnc3)n2)cc1 ZINC000005904498 210558108 /nfs/dbraw/zinc/55/81/08/210558108.db2.gz HTDSZRWJXJHMKD-UHFFFAOYSA-N 0 0 337.448 4.755 50 0 EJAARN CC(C)CC(=O)Nc1ccc(C(=O)COc2cccc(Cl)c2)cc1 ZINC000005869084 210551365 /nfs/dbraw/zinc/55/13/65/210551365.db2.gz IXEXIZGOTQGVHK-UHFFFAOYSA-N 0 0 345.826 4.586 50 0 EJAARN COc1ccc(NC(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1OC ZINC000015012026 207934613 /nfs/dbraw/zinc/93/46/13/207934613.db2.gz DCSKVQIOVBCZDN-DELCKGKKSA-N 0 0 343.467 4.639 50 0 EJAARN O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccncc1 ZINC000005840362 210545608 /nfs/dbraw/zinc/54/56/08/210545608.db2.gz XHERZGRNNGSAKE-UHFFFAOYSA-N 0 0 332.447 4.802 50 0 EJAARN CC(=O)c1cc(C(=O)c2ccc(C)cc2)n2c1ccc1ccccc12 ZINC000005570839 210491499 /nfs/dbraw/zinc/49/14/99/210491499.db2.gz QGJYRMXXETZISZ-UHFFFAOYSA-N 0 0 327.383 4.835 50 0 EJAARN CC[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(OC)cc3)=NN21 ZINC000005554569 210487995 /nfs/dbraw/zinc/48/79/95/210487995.db2.gz YWQCDIMSKAEIPY-HKUYNNGSSA-N 0 0 342.826 4.628 50 0 EJAARN O=C(Nc1nnc(Cc2ccccc2)s1)c1ccc2ccccc2c1 ZINC000005549488 210486775 /nfs/dbraw/zinc/48/67/75/210486775.db2.gz ZEWNCHADQGTFAB-UHFFFAOYSA-N 0 0 345.427 4.534 50 0 EJAARN CC[C@@H]1Oc2c(OC)cccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000005532570 210483023 /nfs/dbraw/zinc/48/30/23/210483023.db2.gz VQRSHEPBZSIBCI-WMZOPIPTSA-N 0 0 342.826 4.628 50 0 EJAARN CC(C)c1ccc(-c2nnc(NC(=O)/C=C\c3ccco3)s2)cc1 ZINC000096861365 218894268 /nfs/dbraw/zinc/89/42/68/218894268.db2.gz WHYGFXJYQGKGOU-KTKRTIGZSA-N 0 0 339.420 4.573 50 0 EJAARN CSc1cccc2sc(NC(=O)c3ccc(Cl)s3)nc21 ZINC000005299236 210435165 /nfs/dbraw/zinc/43/51/65/210435165.db2.gz GRLQXRLRFPBOMM-UHFFFAOYSA-N 0 0 340.882 4.985 50 0 EJAARN CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2)N3)C1 ZINC000005274710 210431371 /nfs/dbraw/zinc/43/13/71/210431371.db2.gz FCPFDXUBFKRDPZ-CXAGYDPISA-N 0 0 340.492 4.753 50 0 EJAARN Cc1ccc(-c2csc(NC(=O)Cc3ccc(F)cc3)n2)c(C)c1 ZINC000005268294 210430279 /nfs/dbraw/zinc/43/02/79/210430279.db2.gz VBUHHZNFJOVBMN-UHFFFAOYSA-N 0 0 340.423 4.747 50 0 EJAARN CCn1cc(NC(=O)NCc2ccc(Cl)cc2)c2ccccc21 ZINC000005266062 210428213 /nfs/dbraw/zinc/42/82/13/210428213.db2.gz PUQDHYFZUHZASW-UHFFFAOYSA-N 0 0 327.815 4.636 50 0 EJAARN CC(=O)Nc1ccccc1OCc1csc(-c2ccc(C)cc2)n1 ZINC000005111850 210391779 /nfs/dbraw/zinc/39/17/79/210391779.db2.gz GPKUDVAHJCNQPX-UHFFFAOYSA-N 0 0 338.432 4.656 50 0 EJAARN O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccccc1N1CCCC1 ZINC000005089920 210386872 /nfs/dbraw/zinc/38/68/72/210386872.db2.gz ZOAQYHQNVPIKDS-UHFFFAOYSA-N 0 0 349.261 4.775 50 0 EJAARN Cc1ccc(CNC(=O)c2cc3c(s2)-c2ccccc2OC3)cc1 ZINC000005050902 210376295 /nfs/dbraw/zinc/37/62/95/210376295.db2.gz ZXMAFMGGFCPFKZ-UHFFFAOYSA-N 0 0 335.428 4.546 50 0 EJAARN CC(=O)c1ccc(NC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000005061043 210380586 /nfs/dbraw/zinc/38/05/86/210380586.db2.gz PBQITBAJSJODAI-HILYYZTDSA-N 0 0 340.467 4.616 50 0 EJAARN Cc1cccc2c1-c1sc(C(=O)N3CCCC[C@@H]3C)cc1CO2 ZINC000005048165 210373950 /nfs/dbraw/zinc/37/39/50/210373950.db2.gz MGDZDDKGOWGCTI-ZDUSSCGKSA-N 0 0 327.449 4.631 50 0 EJAARN O=C(c1ccco1)N1N=C(c2ccco2)C[C@@H]1c1ccc(Cl)cc1 ZINC000005043639 210373557 /nfs/dbraw/zinc/37/35/57/210373557.db2.gz YDJMCAHYHIFANO-OAHLLOKOSA-N 0 0 340.766 4.518 50 0 EJAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nc2ccccc2o1 ZINC000005034212 210370647 /nfs/dbraw/zinc/37/06/47/210370647.db2.gz MDIJMLMDQUJOQP-GFCCVEGCSA-N 0 0 336.416 4.981 50 0 EJAARN O=C(c1cc2c(s1)-c1ccccc1OC2)N1CCc2ccccc21 ZINC000005051054 210375323 /nfs/dbraw/zinc/37/53/23/210375323.db2.gz KMNZSWDJINHVJS-UHFFFAOYSA-N 0 0 333.412 4.510 50 0 EJAARN Cc1cccc(N2C(=O)S/C(=C/c3cn(C)c4ccccc34)C2=O)c1 ZINC000005019166 210364475 /nfs/dbraw/zinc/36/44/75/210364475.db2.gz SOZCANJJKGECCC-WOJGMQOQSA-N 0 0 348.427 4.728 50 0 EJAARN O=C(OCc1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000005019169 210364016 /nfs/dbraw/zinc/36/40/16/210364016.db2.gz KLIIZUFBUNMTJM-UHFFFAOYSA-N 0 0 349.268 4.709 50 0 EJAARN Cc1ccc(N2C(=O)S/C(=C/c3ccccc3Cl)C2=O)cc1 ZINC000005017455 210363824 /nfs/dbraw/zinc/36/38/24/210363824.db2.gz FOJYMYWMWRVCDK-XNTDXEJSSA-N 0 0 329.808 4.889 50 0 EJAARN Cc1ccc(N2C(=O)S/C(=C/c3cn(C)c4ccccc34)C2=O)cc1 ZINC000005018629 210363546 /nfs/dbraw/zinc/36/35/46/210363546.db2.gz VTRNZWNIPWCZGN-WOJGMQOQSA-N 0 0 348.427 4.728 50 0 aggregator EJAARN COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000005014177 210362106 /nfs/dbraw/zinc/36/21/06/210362106.db2.gz NLOCJMUHGNILHT-UHFFFAOYSA-N 0 0 347.370 4.856 50 0 EJAARN COc1ccc([C@@H](CC(=O)Nc2ccc(F)cc2)c2ccccc2)cc1 ZINC000005014074 210361563 /nfs/dbraw/zinc/36/15/63/210361563.db2.gz YQGHYKQSWMLODW-NRFANRHFSA-N 0 0 349.405 4.995 50 0 EJAARN O=C(Nc1ccc(Cl)cc1)c1cccc2c1C(=O)c1ccccc1-2 ZINC000004989754 210350949 /nfs/dbraw/zinc/35/09/49/210350949.db2.gz DMVFIBJLCNHZEW-UHFFFAOYSA-N 0 0 333.774 4.804 50 0 EJAARN CC(=O)O[C@H](c1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl ZINC000000000072 208548210 /nfs/dbraw/zinc/54/82/10/208548210.db2.gz FSGNOVKGEXRRHD-SECBINFHSA-N 0 0 336.429 4.968 50 0 EJAARN Cc1ccc(Nc2c3[nH]cccc-3c(=O)n2Cc2cccs2)cc1C ZINC000004961105 210340551 /nfs/dbraw/zinc/34/05/51/210340551.db2.gz SWOXFGCZVNYYFQ-LJQANCHMSA-N 0 0 349.459 4.527 50 0 EJAARN CC(C)CCNC(=O)c1ccc2c(c1)nc1c(c2Cl)CCCC1 ZINC000004958510 210339218 /nfs/dbraw/zinc/33/92/18/210339218.db2.gz CXFREFBNIXIPTK-UHFFFAOYSA-N 0 0 330.859 4.543 50 0 EJAARN Cc1nn([C@H](C)CC(=O)Nc2cc(Cl)ccc2C)c(C)c1Cl ZINC000004937338 210329886 /nfs/dbraw/zinc/32/98/86/210329886.db2.gz OYRCHBOBELSKNG-SNVBAGLBSA-N 0 0 340.254 4.705 50 0 EJAARN C[C@@H]1CCCN(C(=O)c2cc3c(s2)c2ccccc2nc3Cl)C1 ZINC000004938150 210329728 /nfs/dbraw/zinc/32/97/28/210329728.db2.gz MZNYZHJLXVVJCY-LLVKDONJSA-N 0 0 344.867 4.975 50 0 EJAARN O=C(Nc1cccc(Br)c1)c1cccc2ccccc21 ZINC000000035977 208554339 /nfs/dbraw/zinc/55/43/39/208554339.db2.gz VHRQUMWUSBWASG-UHFFFAOYSA-N 0 0 326.193 4.855 50 0 EJAARN CCOc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 ZINC000003483052 208557768 /nfs/dbraw/zinc/55/77/68/208557768.db2.gz NDLVGJUXMHLIEZ-UHFFFAOYSA-N 0 0 333.815 4.535 50 0 EJAARN COc1cccc(N[C@H]2c3ccccc3C(=O)N2c2ccccc2C)c1 ZINC000004918488 210323764 /nfs/dbraw/zinc/32/37/64/210323764.db2.gz UKGROLIPKJFDJM-OAQYLSRUSA-N 0 0 344.414 4.775 50 0 EJAARN CCSc1nnc(-c2ccccc2Cl)n1-c1ccc(OC)cc1 ZINC000003492332 208558972 /nfs/dbraw/zinc/55/89/72/208558972.db2.gz NEEJSUAWYNLRFZ-UHFFFAOYSA-N 0 0 345.855 4.708 50 0 EJAARN O=C(NC1CCCCC1)c1ccc2c(c1)nc1c(c2Cl)CCCC1 ZINC000004940202 210331572 /nfs/dbraw/zinc/33/15/72/210331572.db2.gz PGUKIEANJKBRFL-UHFFFAOYSA-N 0 0 342.870 4.830 50 0 EJAARN CSc1cccc(N[C@H]2c3ccccc3C(=O)N2c2ccccn2)c1 ZINC000004916154 210322472 /nfs/dbraw/zinc/32/24/72/210322472.db2.gz OFVYMIUHLVGCTP-LJQANCHMSA-N 0 0 347.443 4.575 50 0 EJAARN Cc1ccc(N[C@@H]2c3ccccc3C(=O)N2Cc2ccco2)c(C)c1 ZINC000004914423 210322312 /nfs/dbraw/zinc/32/23/12/210322312.db2.gz HHASCUCIMQVTGQ-FQEVSTJZSA-N 0 0 332.403 4.663 50 0 EJAARN Cc1[nH]c2ccc(C)cc2c1CCNC(=S)Nc1ccccc1C ZINC000004905220 210319207 /nfs/dbraw/zinc/31/92/07/210319207.db2.gz YTAZGZZVJYUTPD-UHFFFAOYSA-N 0 0 337.492 4.622 50 0 EJAARN Cc1cc(Cl)ccc1OCCCC(=O)NCCCc1ccccc1 ZINC000004904805 210318761 /nfs/dbraw/zinc/31/87/61/210318761.db2.gz NABLESREYPSHIG-UHFFFAOYSA-N 0 0 345.870 4.556 50 0 EJAARN Cc1[nH]c2ccccc2c1CCNC(=S)Nc1ccc(C)cc1C ZINC000004904703 210317147 /nfs/dbraw/zinc/31/71/47/210317147.db2.gz MVENGXLHPLIACA-UHFFFAOYSA-N 0 0 337.492 4.622 50 0 EJAARN COc1ccccc1-n1cnnc1SCc1cccc2ccccc21 ZINC000004894933 210314435 /nfs/dbraw/zinc/31/44/35/210314435.db2.gz DEQNQWBVPLZILU-UHFFFAOYSA-N 0 0 347.443 4.721 50 0 EJAARN Cc1cccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(F)cc2)c1 ZINC000004854355 210302180 /nfs/dbraw/zinc/30/21/80/210302180.db2.gz PQENLYCHNJLQTD-FQEVSTJZSA-N 0 0 349.409 4.573 50 0 EJAARN CC[C@@H](C)C(=O)Nc1ccc(-c2nnc(-c3ccccc3C)o2)cc1 ZINC000004869128 210308221 /nfs/dbraw/zinc/30/82/21/210308221.db2.gz OSMDUNUJODNXFZ-CYBMUJFWSA-N 0 0 335.407 4.697 50 0 EJAARN Cc1ccc(NC(=O)C(=O)NC2CCCCCCCCCCC2)cc1 ZINC000004845503 210297299 /nfs/dbraw/zinc/29/72/99/210297299.db2.gz JEBXWMDTTKDHBI-UHFFFAOYSA-N 0 0 344.499 4.723 50 0 EJAARN Cc1cc([C@H]2CCCN2Cc2[nH]c3ccc(Cl)cc3c2C)no1 ZINC000097360051 219014574 /nfs/dbraw/zinc/01/45/74/219014574.db2.gz UZJUFRIKYZQDPY-GOSISDBHSA-N 0 0 329.831 4.763 50 0 EJAARN CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(CC)cc2)c1 ZINC000004841726 210296303 /nfs/dbraw/zinc/29/63/03/210296303.db2.gz GHACVPAUENTQMO-UHFFFAOYSA-N 0 0 330.815 4.503 50 0 EJAARN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccccc1F ZINC000004842161 210295965 /nfs/dbraw/zinc/29/59/65/210295965.db2.gz QOPHTBSXKBPTMN-UHFFFAOYSA-N 0 0 347.349 4.590 50 0 EJAARN COc1ccc(Cl)cc1/C=C/c1nc2cc(Cl)ccc2c(=O)o1 ZINC000004833343 210292326 /nfs/dbraw/zinc/29/23/26/210292326.db2.gz CLMFBJACOPLNLT-FARCUNLSSA-N 0 0 348.185 4.674 50 0 EJAARN Cc1cccc(C(=O)Nc2ccc(-c3nnc(-c4ccco4)o3)cc2)c1 ZINC000004827870 210288935 /nfs/dbraw/zinc/28/89/35/210288935.db2.gz SOKCHIIMJSEYLO-UHFFFAOYSA-N 0 0 345.358 4.557 50 0 EJAARN CCCc1cc(=O)oc2c(C)c(OC(=O)c3ccc(C)cc3)ccc12 ZINC000004820369 210288003 /nfs/dbraw/zinc/28/80/03/210288003.db2.gz LTGGVWMJUSLISH-UHFFFAOYSA-N 0 0 336.387 4.582 50 0 EJAARN Cc1ccc(C(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1Cl ZINC000004817023 210286794 /nfs/dbraw/zinc/28/67/94/210286794.db2.gz NPQDUQXAEMBRPF-UHFFFAOYSA-N 0 0 349.139 4.968 50 0 EJAARN Cc1ccc(NC(=O)C[C@@H](c2ccccc2)c2ccccc2O)cc1 ZINC000004802227 210280474 /nfs/dbraw/zinc/28/04/74/210280474.db2.gz NKSWTNGCXBIWQF-FQEVSTJZSA-N 0 0 331.415 4.861 50 0 EJAARN O=C1CCCCc2ccc(cc2)Cc2ccc(cc2)CCCC[C@@H]1O ZINC000004787954 210278519 /nfs/dbraw/zinc/27/85/19/210278519.db2.gz XQCHFPADVQGJCQ-QFIPXVFZSA-N 0 0 336.475 4.647 50 0 EJAARN O[C@@H](OCc1cccc(Oc2ccccc2)c1)C(Cl)(Cl)Cl ZINC000004753541 210270547 /nfs/dbraw/zinc/27/05/47/210270547.db2.gz OZRHPSZQSYAAAL-AWEZNQCLSA-N 0 0 347.625 4.684 50 0 EJAARN C[C@H](N[C@@H](C)c1cnccn1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000119183510 221261298 /nfs/dbraw/zinc/26/12/98/221261298.db2.gz IHOZGPTZRJMATD-GJZGRUSLSA-N 0 0 337.398 4.820 50 0 EJAARN CCn1c(C)cc2cc(NC(=O)N(Cc3ccncc3)C3CC3)ccc21 ZINC000299787615 258094256 /nfs/dbraw/zinc/09/42/56/258094256.db2.gz ODOVLYFFFLMCOX-UHFFFAOYSA-N 0 0 348.450 4.561 50 0 EJAARN COc1c(Cl)cc(C(=O)Nc2ccccc2Cl)cc1Cl ZINC000000452532 258048129 /nfs/dbraw/zinc/04/81/29/258048129.db2.gz NVGQSIRVONCUEC-UHFFFAOYSA-N 0 0 330.598 4.908 50 0 EJAARN O=C1c2ccccc2C(=O)N1c1ccc(Oc2ccccc2Cl)cc1 ZINC000000465541 258048452 /nfs/dbraw/zinc/04/84/52/258048452.db2.gz SLBWRDDGDODRTC-UHFFFAOYSA-N 0 0 349.773 4.933 50 0 EJAARN CCc1sc(NC(=O)Cc2ccc(C)cc2)nc1-c1ccccc1 ZINC000000465441 258048462 /nfs/dbraw/zinc/04/84/62/258048462.db2.gz LFAVGOCDKUOISZ-UHFFFAOYSA-N 0 0 336.460 4.862 50 0 EJAARN O=C(Cc1ccc(Cl)cc1)Nc1nc(-c2ccccc2)cs1 ZINC000006927876 258052200 /nfs/dbraw/zinc/05/22/00/258052200.db2.gz NUCLDLOABHOOOA-UHFFFAOYSA-N 0 0 328.824 4.645 50 0 EJAARN COc1ccc2nc(/C=C/c3ccc4c(c3)OCO4)cc(Cl)c2c1 ZINC000006928614 258052213 /nfs/dbraw/zinc/05/22/13/258052213.db2.gz IFOBHFQZTPWJOV-DUXPYHPUSA-N 0 0 339.778 4.796 50 0 EJAARN Cc1nc(NC(=O)c2cc(-c3ccco3)nc3ccccc32)sc1C ZINC000031816873 258058229 /nfs/dbraw/zinc/05/82/29/258058229.db2.gz QPPFYYYWUYMJMQ-UHFFFAOYSA-N 0 0 349.415 4.820 50 0 EJAARN Cc1ccc(C)c(C(=O)CCC(=O)NCC2(c3ccccc3)CCC2)c1 ZINC000032882371 258059040 /nfs/dbraw/zinc/05/90/40/258059040.db2.gz AQZXHRUIQBSUQK-UHFFFAOYSA-N 0 0 349.474 4.504 50 0 EJAARN COc1ccc(Cl)cc1NC(=O)N1CCC[C@H]1C1CCCCC1 ZINC000071808120 258063973 /nfs/dbraw/zinc/06/39/73/258063973.db2.gz RHKGMZRWCMIWJO-INIZCTEOSA-N 0 0 336.863 4.925 50 0 EJAARN Cc1ccccc1N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000055543557 132195871 /nfs/dbraw/zinc/19/58/71/132195871.db2.gz AUYJCFQITYROAL-UHFFFAOYSA-N 0 0 335.278 4.624 50 0 EJAARN Cc1ccccc1N1C(=O)c2ccccc2/C(=C\c2cccs2)C1=O ZINC000035584314 132390205 /nfs/dbraw/zinc/39/02/05/132390205.db2.gz WAYYTCNCGCMMPH-QGOAFFKASA-N 0 0 345.423 4.784 50 0 EJAARN CC1CCN(c2nc(C3CC3)nc3sc4c(c32)CCCC4)CC1 ZINC000035848780 132390824 /nfs/dbraw/zinc/39/08/24/132390824.db2.gz BWSFQWMPARBQPG-UHFFFAOYSA-N 0 0 327.497 4.684 50 0 EJAARN c1ccc(CC2CCN(c3cc(Oc4ccccc4)ncn3)CC2)cc1 ZINC000037355763 132393736 /nfs/dbraw/zinc/39/37/36/132393736.db2.gz KEJOXMUCZWKLHQ-UHFFFAOYSA-N 0 0 345.446 4.728 50 0 EJAARN Cc1c(-c2ccc(C)cc2)nn2c1nc(C)cc2N1CCC(C)CC1 ZINC000040216923 132398973 /nfs/dbraw/zinc/39/89/73/132398973.db2.gz 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262531513 /nfs/dbraw/zinc/53/15/13/262531513.db2.gz MZPGPZQKCKZJGS-UHFFFAOYSA-N 0 0 336.416 4.676 50 0 EJAARN Cc1ccc(C(C)C)c(OCCNC(=O)c2ccccc2Cl)c1 ZINC000002870223 518188442 /nfs/dbraw/zinc/18/84/42/518188442.db2.gz GKBMEFDXHPBBNG-UHFFFAOYSA-N 0 0 331.843 4.581 50 0 EJAARN O=C(CCc1cc(F)c(F)c(F)c1)c1cccc(C(F)(F)F)c1 ZINC000002517867 518198448 /nfs/dbraw/zinc/19/84/48/518198448.db2.gz WEFXBLXXAGWBPO-UHFFFAOYSA-N 0 0 332.243 4.938 50 0 EJAARN O=C(Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)C1CC1 ZINC000000180477 519110512 /nfs/dbraw/zinc/11/05/12/519110512.db2.gz BMMUSNYVDOFMLD-UHFFFAOYSA-N 0 0 336.416 4.951 50 0 EJAARN CC(C)c1cc(Br)ccc1OCCCCn1ccnc1 ZINC000004841580 519831030 /nfs/dbraw/zinc/83/10/30/519831030.db2.gz SKDGFGCCDKSYCD-UHFFFAOYSA-N 0 0 337.261 4.628 50 0 EJAARN O=C(Nc1ncccc1-c1ccccc1)c1cccc2ncccc21 ZINC000181418452 534474795 /nfs/dbraw/zinc/47/47/95/534474795.db2.gz OEBKDQGJHJOJDB-UHFFFAOYSA-N 0 0 325.371 4.549 50 0 EJAARN CCC(=O)Nc1ccc2nc(-c3ccc(Cl)cc3)cc(OC)c2c1 ZINC000035536974 521220048 /nfs/dbraw/zinc/22/00/48/521220048.db2.gz FVDXVNOECXLKIR-UHFFFAOYSA-N 0 0 340.810 4.912 50 0 EJAARN CC[C@H](Oc1ccccc1)C(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000004820420 522888800 /nfs/dbraw/zinc/88/88/00/522888800.db2.gz WHOCDNAWWJSQLK-SFTDATJTSA-N 0 0 337.463 4.892 50 0 EJAARN Cc1nc2ccccc2nc1NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000170593761 534693757 /nfs/dbraw/zinc/69/37/57/534693757.db2.gz NAHQSVSQWIZWNM-PXNSSMCTSA-N 0 0 333.435 4.518 50 0 EJAARN CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253498095 534779594 /nfs/dbraw/zinc/77/95/94/534779594.db2.gz ILCTUFVQFCIIDS-KRNGMNHFSA-N 0 0 332.484 4.530 50 0 EJAARN O=C1c2ccccc2N[C@@H](c2ccncc2)N1c1ccccc1Cl ZINC000000034988 527133982 /nfs/dbraw/zinc/13/39/82/527133982.db2.gz WREREZOJTWGLBN-GOSISDBHSA-N 0 0 335.794 4.506 50 0 EJAARN CC(C)(C)c1cnc(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)o1 ZINC000227163827 535138215 /nfs/dbraw/zinc/13/82/15/535138215.db2.gz BWYUBWQGMNPPIX-UHFFFAOYSA-N 0 0 346.858 4.645 50 0 EJAARN CC(C)c1cc([C@@H]2CCCN2Cc2cncn2C2CCCCC2)no1 ZINC000244584336 535370367 /nfs/dbraw/zinc/37/03/67/535370367.db2.gz CXMFVFXMQKAYMR-IBGZPJMESA-N 0 0 342.487 4.837 50 0 EJAARN CCc1ccc(NC(=O)CSc2ncc(-c3ccccc3)o2)cc1 ZINC000226795030 536187327 /nfs/dbraw/zinc/18/73/27/536187327.db2.gz RCRSYLYSTKXOPV-UHFFFAOYSA-N 0 0 338.432 4.635 50 0 EJAARN COc1ccc([C@H]2CCCCN(C(=O)Nc3cccs3)C2)cc1 ZINC000206886762 536938552 /nfs/dbraw/zinc/93/85/52/536938552.db2.gz SJUYVJRVXPKNJW-HNNXBMFYSA-N 0 0 330.453 4.558 50 0 EJAARN Cc1ccc(C)c(NC(=S)Nc2c(F)c(F)cc(F)c2F)c1 ZINC000017067203 563831280 /nfs/dbraw/zinc/83/12/80/563831280.db2.gz BACYOWGUMQIXMI-UHFFFAOYSA-N 0 0 328.334 4.669 50 0 EJAARN S=C1N=C(c2ccc(Br)cc2)NC1c1ccccc1 ZINC000100028663 563982289 /nfs/dbraw/zinc/98/22/89/563982289.db2.gz KXTBMHPSEGUXJA-UHFFFAOYSA-N 0 0 331.238 4.795 50 0 EJAARN Cc1cccc(N2C(=O)CS[C@@H]2c2cccc(Br)c2)c1 ZINC000000431395 563999453 /nfs/dbraw/zinc/99/94/53/563999453.db2.gz XBUYASSCTPRPGO-MRXNPFEDSA-N 0 0 348.265 4.536 50 0 EJAARN O=C(Nc1ccccc1Br)c1cc2ccccc2s1 ZINC000018114077 564018066 /nfs/dbraw/zinc/01/80/66/564018066.db2.gz ODFGUKSWWQPZFB-UHFFFAOYSA-N 0 0 332.222 4.916 50 0 EJAARN O=C(NCc1cccc(C(F)(F)F)c1)Nc1ccccc1Cl ZINC000044845549 564060522 /nfs/dbraw/zinc/06/05/22/564060522.db2.gz POXDBFGCKHCDAU-UHFFFAOYSA-N 0 0 328.721 4.681 50 0 EJAARN Fc1ccc([C@H]2CCCN2Cc2ccc(Br)s2)cc1 ZINC000015837339 564076509 /nfs/dbraw/zinc/07/65/09/564076509.db2.gz VGIDDZCETXDTGM-CQSZACIVSA-N 0 0 340.261 4.987 50 0 EJAARN Cc1ccc([C@H](C)NC(=O)Nc2ccccc2Br)cc1C ZINC000013746031 564111983 /nfs/dbraw/zinc/11/19/83/564111983.db2.gz NUKKKUBDZMOCOH-ZDUSSCGKSA-N 0 0 347.256 4.949 50 0 EJAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1F ZINC000000106554 563227957 /nfs/dbraw/zinc/22/79/57/563227957.db2.gz RZWHHHRYLFLYFT-UHFFFAOYSA-N 0 0 342.197 4.929 50 0 EJAARN CC1(c2ccccc2NC(=O)c2ccccc2Br)CC1 ZINC000000285692 563272715 /nfs/dbraw/zinc/27/27/15/563272715.db2.gz XBNPFXXZZNAWES-UHFFFAOYSA-N 0 0 330.225 4.753 50 0 EJAARN CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1Br ZINC000000859139 563365161 /nfs/dbraw/zinc/36/51/61/563365161.db2.gz PGXHPRYIRPQWFJ-UHFFFAOYSA-N 0 0 348.240 4.717 50 0 EJAARN CC(C)Nc1nc(Oc2ccc(Cl)cc2)cc(C(F)(F)F)n1 ZINC000001396751 563386746 /nfs/dbraw/zinc/38/67/46/563386746.db2.gz KIUYHMLRVMTHPY-UHFFFAOYSA-N 0 0 331.725 4.761 50 0 EJAARN O=C(CCc1cccc(Br)c1)c1ccc(F)cc1F ZINC000002516736 563437703 /nfs/dbraw/zinc/43/77/03/563437703.db2.gz IFVCDBUKMLXYGU-UHFFFAOYSA-N 0 0 325.152 4.543 50 0 EJAARN CSc1ccc(C(=O)CCc2cccc(Br)c2)cc1 ZINC000002516706 563437361 /nfs/dbraw/zinc/43/73/61/563437361.db2.gz UJTCXKMXRNLLTK-UHFFFAOYSA-N 0 0 335.266 4.987 50 0 EJAARN CCCSc1ncc(Cl)c(C(=O)Nc2ccc(C)c(C)c2)n1 ZINC000002886081 563461727 /nfs/dbraw/zinc/46/17/27/563461727.db2.gz NUJQKZZMVVUGEI-UHFFFAOYSA-N 0 0 335.860 4.501 50 0 EJAARN COc1ccccc1OCCCOc1c(Cl)cccc1Cl ZINC000002904273 563462733 /nfs/dbraw/zinc/46/27/33/563462733.db2.gz XQWZYQOMQXNTHR-UHFFFAOYSA-N 0 0 327.207 4.850 50 0 EJAARN COc1ccc(OC)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000000022067 563211445 /nfs/dbraw/zinc/21/14/45/563211445.db2.gz CHMGWUBVANHTDI-UHFFFAOYSA-N 0 0 333.387 4.623 50 0 EJAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCCC(c2ccccc2)=N1 ZINC000000005947 563211461 /nfs/dbraw/zinc/21/14/61/563211461.db2.gz IIURABUWDUCHOI-UHFFFAOYSA-N 0 0 333.218 4.634 50 0 EJAARN CCOc1cc(C=O)cc(Br)c1OCc1ccccc1C ZINC000000037148 563212120 /nfs/dbraw/zinc/21/21/20/563212120.db2.gz FKEXDBYNMWXYFT-UHFFFAOYSA-N 0 0 349.224 4.548 50 0 EJAARN COc1ccc([C@H]2S[C@@H](C)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000000070308 563215121 /nfs/dbraw/zinc/21/51/21/563215121.db2.gz ZZUISRVPMLVLLR-APPDUMDISA-N 0 0 333.840 4.516 50 0 EJAARN COc1ccc([C@@H]2S[C@H](C)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000000070328 563215143 /nfs/dbraw/zinc/21/51/43/563215143.db2.gz ZZUISRVPMLVLLR-DIFFPNOSSA-N 0 0 333.840 4.516 50 0 EJAARN Cc1ccc(CSc2nc3sc4c(c3c(N)n2)CCC4)c(C)c1 ZINC000000073365 563216162 /nfs/dbraw/zinc/21/61/62/563216162.db2.gz OCBGSQZAPPBIGM-UHFFFAOYSA-N 0 0 341.505 4.671 50 0 EJAARN CSc1cc(C(F)(F)F)c(C(=O)Nc2c(C)cccc2C)cn1 ZINC000000077755 563217603 /nfs/dbraw/zinc/21/76/03/563217603.db2.gz NVWNMEKMCNBWLA-UHFFFAOYSA-N 0 0 340.370 4.691 50 0 EJAARN CC[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1ccc(Cl)cc1 ZINC000000083162 563219285 /nfs/dbraw/zinc/21/92/85/563219285.db2.gz KIWOUZPXVHMFBH-SFHVURJKSA-N 0 0 338.838 4.971 50 0 EJAARN Cc1ccccc1N(C(=O)Nc1ccccc1)C1=NC[C@H](C)S1 ZINC000000086436 563220386 /nfs/dbraw/zinc/22/03/86/563220386.db2.gz SZUGYPKWIFIKEC-AWEZNQCLSA-N 0 0 325.437 4.525 50 0 EJAARN O=C(/C=C/c1ccccc1)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000000093379 563223146 /nfs/dbraw/zinc/22/31/46/563223146.db2.gz VSMDAKUBHMZYOK-WUXMJOGZSA-N 0 0 334.350 4.665 50 0 EJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NC1CCCCCC1 ZINC000000094999 563223865 /nfs/dbraw/zinc/22/38/65/563223865.db2.gz KYOGYHKZFXHBHO-UHFFFAOYSA-N 0 0 332.831 4.756 50 0 EJAARN Cc1ccc2[nH]c(SCC(=O)Nc3cccc(Cl)c3C)nc2c1 ZINC000000097942 563224576 /nfs/dbraw/zinc/22/45/76/563224576.db2.gz DDJOWMRBXMMJQT-UHFFFAOYSA-N 0 0 345.855 4.564 50 0 EJAARN Cc1ccc2nsnc2c1NC(=O)c1cc(Cl)ccc1Cl ZINC000000097705 563224625 /nfs/dbraw/zinc/22/46/25/563224625.db2.gz ANOUSJNQRUSJCA-UHFFFAOYSA-N 0 0 338.219 4.559 50 0 EJAARN Clc1cccc(CSc2nnc3sc4ccccc4n23)c1 ZINC000000098934 563225284 /nfs/dbraw/zinc/22/52/84/563225284.db2.gz SDDUHCYWAFDZNV-UHFFFAOYSA-N 0 0 331.853 4.890 50 0 EJAARN C[C@@H]1OCN(c2ccc(Cl)cc2)Cn2c3cc(Cl)ccc3nc21 ZINC000000104395 563226917 /nfs/dbraw/zinc/22/69/17/563226917.db2.gz NHRIHYPRAMUVFB-NSHDSACASA-N 0 0 348.233 4.856 50 0 EJAARN FC(F)(F)c1cccc(OCc2ccc(-c3ncns3)cc2)c1 ZINC000000107905 563228576 /nfs/dbraw/zinc/22/85/76/563228576.db2.gz ZSTGGZZJZMYPPI-UHFFFAOYSA-N 0 0 336.338 4.803 50 0 EJAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccncc1 ZINC000000110844 563229727 /nfs/dbraw/zinc/22/97/27/563229727.db2.gz IAXJMADAYCLYBO-UHFFFAOYSA-N 0 0 348.189 4.604 50 0 EJAARN Brc1c(Oc2ccccc2)ncnc1Oc1ccccc1 ZINC000000115025 563231358 /nfs/dbraw/zinc/23/13/58/563231358.db2.gz DILJHCGZDMTYTP-UHFFFAOYSA-N 0 0 343.180 4.824 50 0 EJAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCC1=CCCCC1 ZINC000000116465 563232116 /nfs/dbraw/zinc/23/21/16/563232116.db2.gz GZKIOEGCTTVCAF-LBPRGKRZSA-N 0 0 342.266 4.767 50 0 EJAARN C[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)nc3ccccc32)C1 ZINC000000117128 563232564 /nfs/dbraw/zinc/23/25/64/563232564.db2.gz BMGZFFBJAXYWAY-INIZCTEOSA-N 0 0 330.431 4.774 50 0 EJAARN C[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)nc3ccccc32)C1 ZINC000000117134 563232585 /nfs/dbraw/zinc/23/25/85/563232585.db2.gz BMGZFFBJAXYWAY-MRXNPFEDSA-N 0 0 330.431 4.774 50 0 EJAARN COc1ccc(NC(=O)COc2ccc(-c3ccc(C)cc3)cc2)cc1 ZINC000000121372 563234400 /nfs/dbraw/zinc/23/44/00/563234400.db2.gz RRCVXBMMNULRAQ-UHFFFAOYSA-N 0 0 347.414 4.688 50 0 EJAARN CCOc1ccc2nc(SCC(=O)c3cccs3)sc2c1 ZINC000000125095 563236560 /nfs/dbraw/zinc/23/65/60/563236560.db2.gz NODFKJQPMQLRSP-UHFFFAOYSA-N 0 0 335.475 4.732 50 0 EJAARN Cc1ccc2cc(NC(=O)c3cccc4c3OC(C)(C)C4)ccc2n1 ZINC000000130010 563238126 /nfs/dbraw/zinc/23/81/26/563238126.db2.gz ILQRTYFXSCOPSV-UHFFFAOYSA-N 0 0 332.403 4.509 50 0 EJAARN COc1ccccc1C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000000135246 563240051 /nfs/dbraw/zinc/24/00/51/563240051.db2.gz JLQZEWNKJQCCMV-UHFFFAOYSA-N 0 0 345.442 4.868 50 0 EJAARN COc1cc(NC(=O)c2ccc(Cl)cc2)cc(C(F)(F)F)c1 ZINC000000142290 563242585 /nfs/dbraw/zinc/24/25/85/563242585.db2.gz ITQFDNCFKJHQSI-UHFFFAOYSA-N 0 0 329.705 4.620 50 0 EJAARN Cc1cc(C)c(NC(=O)COc2c(C)ccc(C)c2C)c(Cl)c1 ZINC000000145292 563244209 /nfs/dbraw/zinc/24/42/09/563244209.db2.gz KWUDFNDALOUDOL-UHFFFAOYSA-N 0 0 331.843 4.900 50 0 EJAARN Cc1sc2ncn(CCc3ccccc3)c(=O)c2c1-c1ccccc1 ZINC000000145966 563244233 /nfs/dbraw/zinc/24/42/33/563244233.db2.gz RLVQHQHBKRYXKJ-UHFFFAOYSA-N 0 0 346.455 4.676 50 0 EJAARN Cc1ccc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2C)cc1 ZINC000000149171 563245429 /nfs/dbraw/zinc/24/54/29/563245429.db2.gz YHBHOSOOUFEPBL-UHFFFAOYSA-N 0 0 330.383 4.754 50 0 EJAARN Cc1cc(O[C@H](C)C(=O)N2CCCc3ccccc32)cc(C)c1Cl ZINC000000150827 563246069 /nfs/dbraw/zinc/24/60/69/563246069.db2.gz QYFNCWNZUWRXKC-OAHLLOKOSA-N 0 0 343.854 4.704 50 0 EJAARN Cc1onc(-c2ccccc2)c1C(=O)N(Cc1ccccc1)C(C)C ZINC000000155765 563247817 /nfs/dbraw/zinc/24/78/17/563247817.db2.gz HFLIAWGRIUPUSS-UHFFFAOYSA-N 0 0 334.419 4.701 50 0 EJAARN O=S(=O)(CCSc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000000165203 563249164 /nfs/dbraw/zinc/24/91/64/563249164.db2.gz SSRMNYNQENIPHU-UHFFFAOYSA-N 0 0 347.288 4.559 50 0 EJAARN Clc1ccc(-c2csc(COc3ccc4nonc4c3)n2)cc1 ZINC000000169203 563250282 /nfs/dbraw/zinc/25/02/82/563250282.db2.gz HPNIZYRJNHLUSL-UHFFFAOYSA-N 0 0 343.795 4.579 50 0 EJAARN Cn1nc(C(C)(C)C)cc1NC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000000170334 563250906 /nfs/dbraw/zinc/25/09/06/563250906.db2.gz PGAOLCBUVAGNHE-UHFFFAOYSA-N 0 0 341.242 4.668 50 0 EJAARN FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc2cc(C3CC3)nn21 ZINC000000171356 563251553 /nfs/dbraw/zinc/25/15/53/563251553.db2.gz SGTUJCBCUJLALA-UHFFFAOYSA-N 0 0 337.732 4.946 50 0 EJAARN CCc1ccc2[nH]c(C(=O)NCc3cc(Cl)ccc3Cl)cc2c1 ZINC000000171556 563251574 /nfs/dbraw/zinc/25/15/74/563251574.db2.gz RHEPZFAYAHRRQZ-UHFFFAOYSA-N 0 0 347.245 4.967 50 0 EJAARN O=C(Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1ccc(F)cc1 ZINC000000176010 563252987 /nfs/dbraw/zinc/25/29/87/563252987.db2.gz YKAGLLQPIHHRDC-UHFFFAOYSA-N 0 0 348.333 4.592 50 0 EJAARN Cc1ccc2oc(-c3cc(NC(=O)c4ccccc4)ccc3O)nc2c1 ZINC000000176016 563253018 /nfs/dbraw/zinc/25/30/18/563253018.db2.gz CNTIFOXLHXESKD-UHFFFAOYSA-N 0 0 344.370 4.761 50 0 biogenic EJAARN O=C1CS[C@H](c2cccc(Cl)c2Cl)N1C1CCCCC1 ZINC000000180037 563253662 /nfs/dbraw/zinc/25/36/62/563253662.db2.gz LWHCGMNAHOBEJN-OAHLLOKOSA-N 0 0 330.280 4.900 50 0 EJAARN c1nnc2c(Oc3ccc(-c4ccccc4)cc3)nc3ccccc3n12 ZINC000000181763 563254511 /nfs/dbraw/zinc/25/45/11/563254511.db2.gz UNRFLDWNYOFCTJ-UHFFFAOYSA-N 0 0 338.370 4.737 50 0 EJAARN Cc1nn(-c2ccccc2)c2sc(C(=O)N(C)c3ccccc3)cc12 ZINC000000193298 563257279 /nfs/dbraw/zinc/25/72/79/563257279.db2.gz XOZACOLLZVWJHN-UHFFFAOYSA-N 0 0 347.443 4.672 50 0 EJAARN Cc1ccc(CSc2nnc(-c3ccncc3)n2CC(C)C)cc1 ZINC000000203515 563259378 /nfs/dbraw/zinc/25/93/78/563259378.db2.gz AFYIGZAAISDEEH-UHFFFAOYSA-N 0 0 338.480 4.597 50 0 EJAARN COc1ccccc1N1C(=S)N=NC1c1ccc(C(C)(C)C)cc1 ZINC000000203427 563259396 /nfs/dbraw/zinc/25/93/96/563259396.db2.gz YNSNGCPFNRJIDL-UHFFFAOYSA-N 0 0 339.464 4.529 50 0 EJAARN Cc1c(C)c(CSc2nccn2C)c(C)c(C)c1Br ZINC000000208694 563260506 /nfs/dbraw/zinc/26/05/06/563260506.db2.gz WPEOOFDFPFSIBK-UHFFFAOYSA-N 0 0 339.302 4.709 50 0 EJAARN COc1ccc(-c2cc(C(=O)NC3CCCC3)c3ccccc3n2)cc1 ZINC000000217181 563261950 /nfs/dbraw/zinc/26/19/50/563261950.db2.gz YNQAOBZONBBSKT-UHFFFAOYSA-N 0 0 346.430 4.583 50 0 EJAARN O=C(Nc1ccc(Nc2ccccc2)cc1)C(Cl)(Cl)Cl ZINC000000224879 563263128 /nfs/dbraw/zinc/26/31/28/563263128.db2.gz DXWLHYHAGCVSIA-UHFFFAOYSA-N 0 0 329.614 4.739 50 0 EJAARN O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccccc1Cl ZINC000000261787 563268073 /nfs/dbraw/zinc/26/80/73/563268073.db2.gz NQHQOPQXNUBILW-UHFFFAOYSA-N 0 0 335.790 4.823 50 0 EJAARN O=C(COc1ccc(Cl)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000000296446 563274675 /nfs/dbraw/zinc/27/46/75/563274675.db2.gz FYSSXFUDGOHDCD-UHFFFAOYSA-N 0 0 330.598 4.664 50 0 EJAARN COc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 ZINC000000294606 563274699 /nfs/dbraw/zinc/27/46/99/563274699.db2.gz ZZJKXUXCVSBTAS-UHFFFAOYSA-N 0 0 333.387 4.527 50 0 EJAARN C[C@@H]1CCc2c(sc3nc(SCc4ccccc4)nc(N)c32)C1 ZINC000000302463 563276346 /nfs/dbraw/zinc/27/63/46/563276346.db2.gz LVJLRIIHIKELQF-LLVKDONJSA-N 0 0 341.505 4.691 50 0 EJAARN O=C(COC(=O)c1cc2c(ccc3ccccc23)o1)c1ccccc1 ZINC000000304572 563277322 /nfs/dbraw/zinc/27/73/22/563277322.db2.gz AEMYUOPAFUHULM-UHFFFAOYSA-N 0 0 330.339 4.626 50 0 EJAARN COc1ccc(Cl)cc1NC(=O)COc1cc(C)ccc1C(C)C ZINC000000310259 563280209 /nfs/dbraw/zinc/28/02/09/563280209.db2.gz FVLHAIBGRYNAKT-UHFFFAOYSA-N 0 0 347.842 4.798 50 0 EJAARN Cc1ccc(NC(=O)CC2c3ccccc3Oc3ccccc32)nc1 ZINC000000311105 563281025 /nfs/dbraw/zinc/28/10/25/563281025.db2.gz NSSKVGDMROHZPP-UHFFFAOYSA-N 0 0 330.387 4.656 50 0 EJAARN CN(C(=O)CSc1nc2cc(Cl)ccc2s1)c1ccccc1 ZINC000000311613 563281374 /nfs/dbraw/zinc/28/13/74/563281374.db2.gz KTTOLWRRMLZASK-UHFFFAOYSA-N 0 0 348.880 4.705 50 0 EJAARN O=C(COc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000000320445 563284399 /nfs/dbraw/zinc/28/43/99/563284399.db2.gz RXAHXBOJWUKKJL-UHFFFAOYSA-N 0 0 330.598 4.664 50 0 EJAARN O=C(Nc1nccs1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000000337692 563285631 /nfs/dbraw/zinc/28/56/31/563285631.db2.gz ZUZOVIWBZLOKNM-OAHLLOKOSA-N 0 0 326.446 4.615 50 0 EJAARN O=C(Nc1ccccc1)N(c1ccccc1)C1=NCCCCS1 ZINC000000336320 563285644 /nfs/dbraw/zinc/28/56/44/563285644.db2.gz GDFHIKDWYBDGOJ-UHFFFAOYSA-N 0 0 325.437 4.608 50 0 EJAARN CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(C)cc2C)c1 ZINC000000342332 563286955 /nfs/dbraw/zinc/28/69/55/563286955.db2.gz WLXZDBZEPWGMTI-UHFFFAOYSA-N 0 0 330.815 4.558 50 0 EJAARN Cc1ccc(O)c(Cc2cc(C)cc(Cc3cc(C)ccc3O)c2O)c1 ZINC000000344612 563287341 /nfs/dbraw/zinc/28/73/41/563287341.db2.gz MAQOZOILPAMFSW-UHFFFAOYSA-N 0 0 348.442 4.910 50 0 EJAARN Cc1cccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)c1 ZINC000000348648 563288637 /nfs/dbraw/zinc/28/86/37/563288637.db2.gz NYMGMWGUBBEZSL-UHFFFAOYSA-N 0 0 335.403 4.638 50 0 EJAARN Cc1noc(C)c1CSc1ncnc2sc3c(c21)CCCCC3 ZINC000000351638 563289697 /nfs/dbraw/zinc/28/96/97/563289697.db2.gz UDZUHRJILUIVED-UHFFFAOYSA-N 0 0 345.493 4.857 50 0 EJAARN CC(C)NC(=O)c1cc(-c2ccc(OC(C)C)cc2)nc2ccccc21 ZINC000000355545 563290873 /nfs/dbraw/zinc/29/08/73/563290873.db2.gz ITUQLTOGQULATF-UHFFFAOYSA-N 0 0 348.446 4.827 50 0 EJAARN Cc1ccc(C(=O)Oc2ccc(Cl)cc2)cc1Br ZINC000000357379 563291584 /nfs/dbraw/zinc/29/15/84/563291584.db2.gz YTTICSSBNPHWSK-UHFFFAOYSA-N 0 0 325.589 4.630 50 0 EJAARN Cc1ccc(NC(=S)NC(=O)Cc2cccc3ccccc32)cc1C ZINC000000358821 563291806 /nfs/dbraw/zinc/29/18/06/563291806.db2.gz NFYSAGLQAYKYBG-UHFFFAOYSA-N 0 0 348.471 4.512 50 0 EJAARN Cc1ccccc1C(=O)Oc1ccc(Br)cc1Cl ZINC000000358973 563291845 /nfs/dbraw/zinc/29/18/45/563291845.db2.gz IMVMECMQHYCFNX-UHFFFAOYSA-N 0 0 325.589 4.630 50 0 EJAARN COc1ccc(CCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000000361028 563293772 /nfs/dbraw/zinc/29/37/72/563293772.db2.gz MICHJIHLLQPKJZ-UHFFFAOYSA-N 0 0 338.234 4.963 50 0 EJAARN O=C(Nc1cccc(Cl)c1Cl)c1ccc(Br)o1 ZINC000000362854 563294460 /nfs/dbraw/zinc/29/44/60/563294460.db2.gz HQSYTRDVQDHEBD-UHFFFAOYSA-N 0 0 334.984 4.601 50 0 EJAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Br)o1 ZINC000000362857 563294502 /nfs/dbraw/zinc/29/45/02/563294502.db2.gz GJSZNMIBJGJSCJ-UHFFFAOYSA-N 0 0 334.984 4.601 50 0 EJAARN COc1ccc(OC)c(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)c1 ZINC000000363599 563294776 /nfs/dbraw/zinc/29/47/76/563294776.db2.gz QKXYCDBYSRBYMQ-OAHLLOKOSA-N 0 0 341.451 4.645 50 0 EJAARN CCOc1ccc2nc(NC(=O)CCCc3ccccc3)sc2c1 ZINC000000364499 563295659 /nfs/dbraw/zinc/29/56/59/563295659.db2.gz CFNBTJUYMDKWCR-UHFFFAOYSA-N 0 0 340.448 4.656 50 0 EJAARN COC(=O)c1cc(C(C)C)sc1NC(=O)c1ccccc1Cl ZINC000000370830 563297412 /nfs/dbraw/zinc/29/74/12/563297412.db2.gz QNMZBHOTXBXYLT-UHFFFAOYSA-N 0 0 337.828 4.564 50 0 EJAARN Cc1ccc(-n2c(-c3ccccc3)cc(-c3ccccc3)nc2=O)cc1 ZINC000000383247 563300706 /nfs/dbraw/zinc/30/07/06/563300706.db2.gz XEIAFVUDGFSBCF-UHFFFAOYSA-N 0 0 338.410 4.875 50 0 EJAARN O=C(Nc1ccc(F)cc1)c1sc(Cl)nc1-c1ccccc1 ZINC000000384913 563301493 /nfs/dbraw/zinc/30/14/93/563301493.db2.gz HXOSVZDZCZPQPV-UHFFFAOYSA-N 0 0 332.787 4.855 50 0 EJAARN FC(F)(F)c1cccc(-c2nnc3sc(-c4ccccc4)nn32)c1 ZINC000000385183 563301577 /nfs/dbraw/zinc/30/15/77/563301577.db2.gz ILFQNGFSZLUJOV-UHFFFAOYSA-N 0 0 346.337 4.539 50 0 EJAARN O=C(Oc1ccc2ccccc2c1)c1cc(F)c(Cl)nc1Cl ZINC000000385093 563301594 /nfs/dbraw/zinc/30/15/94/563301594.db2.gz XATCDTCDMYNHTJ-UHFFFAOYSA-N 0 0 336.149 4.900 50 0 EJAARN O=C(CCSc1nc2ccccc2o1)Nc1ccccc1Cl ZINC000000386107 563302895 /nfs/dbraw/zinc/30/28/95/563302895.db2.gz JNAGOQMOGWXKLL-UHFFFAOYSA-N 0 0 332.812 4.602 50 0 EJAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(OC(F)F)cc1 ZINC000000387711 563303537 /nfs/dbraw/zinc/30/35/37/563303537.db2.gz VAGQCYHJSQYMAP-UHFFFAOYSA-N 0 0 335.281 4.734 50 0 EJAARN Clc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3ncnn32)c(Cl)c1 ZINC000000406784 563306966 /nfs/dbraw/zinc/30/69/66/563306966.db2.gz JONCMRSPKDOGRU-JKSUJKDBSA-N 0 0 345.233 4.731 50 0 EJAARN Clc1ccc([C@@H]2C[C@H](c3ccccc3)Nc3ncnn32)c(Cl)c1 ZINC000000406781 563307031 /nfs/dbraw/zinc/30/70/31/563307031.db2.gz JONCMRSPKDOGRU-CVEARBPZSA-N 0 0 345.233 4.731 50 0 EJAARN COc1ccc(-c2nnc(SCc3ccccc3Cl)o2)cc1 ZINC000000411244 563308006 /nfs/dbraw/zinc/30/80/06/563308006.db2.gz WGAGMRFSWAPMCU-UHFFFAOYSA-N 0 0 332.812 4.691 50 0 EJAARN O=C(c1cc(-c2cccs2)nc2ccccc21)N1CCCCCC1 ZINC000000433626 563311899 /nfs/dbraw/zinc/31/18/99/563311899.db2.gz WUDLTCVNQWCERR-UHFFFAOYSA-N 0 0 336.460 4.980 50 0 EJAARN COc1cccc(NC(=O)c2cc(-c3ccco3)nc3ccccc32)c1 ZINC000000433955 563312138 /nfs/dbraw/zinc/31/21/38/563312138.db2.gz RJUSLWSMPMGVSS-UHFFFAOYSA-N 0 0 344.370 4.756 50 0 EJAARN Cc1cccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)c1 ZINC000000434946 563312581 /nfs/dbraw/zinc/31/25/81/563312581.db2.gz JUWWAUHTWDZAFP-UHFFFAOYSA-N 0 0 343.386 4.759 50 0 EJAARN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc2ccccc2c1 ZINC000000437937 563313327 /nfs/dbraw/zinc/31/33/27/563313327.db2.gz IJJNCTHIOZCUNP-UHFFFAOYSA-N 0 0 325.795 4.819 50 0 EJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000000442340 563314492 /nfs/dbraw/zinc/31/44/92/563314492.db2.gz OVSIHFXJPAGPAX-RYUDHWBXSA-N 0 0 332.831 4.707 50 0 EJAARN O=C(Nc1ccc(Cl)cn1)c1ccc(OCc2ccccc2)cc1 ZINC000000443888 563315706 /nfs/dbraw/zinc/31/57/06/563315706.db2.gz NTOFRIMRSVDNML-UHFFFAOYSA-N 0 0 338.794 4.566 50 0 EJAARN O=C(Cc1ccccc1)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000000444538 563316423 /nfs/dbraw/zinc/31/64/23/563316423.db2.gz LPCKYWHDWOZGSR-UHFFFAOYSA-N 0 0 346.361 4.815 50 0 EJAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000000445217 563316695 /nfs/dbraw/zinc/31/66/95/563316695.db2.gz NGPQIOIQFYXTFJ-UHFFFAOYSA-N 0 0 338.716 4.591 50 0 EJAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C(C)(C)C ZINC000000445695 563317063 /nfs/dbraw/zinc/31/70/63/563317063.db2.gz LPBRUABYDDZGPY-UHFFFAOYSA-N 0 0 345.464 4.885 50 0 EJAARN Cc1ccc(Cl)cc1NC(=O)CSc1cccc2cccnc21 ZINC000000446406 563317336 /nfs/dbraw/zinc/31/73/36/563317336.db2.gz VWTDPMKMEIFSAA-UHFFFAOYSA-N 0 0 342.851 4.927 50 0 EJAARN Cc1ccc(C(=O)c2cccc(NC(=O)/C=C/c3ccco3)c2)cc1C ZINC000000449399 563318634 /nfs/dbraw/zinc/31/86/34/563318634.db2.gz UYZZRDBYGVTVHZ-ZHACJKMWSA-N 0 0 345.398 4.779 50 0 EJAARN CCC[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000000449823 563319118 /nfs/dbraw/zinc/31/91/18/563319118.db2.gz UDAYKGQFPPCRNU-CYBMUJFWSA-N 0 0 329.827 4.946 50 0 EJAARN Cc1cccc(C)c1NC(=S)NC(=O)c1ccc(C(C)C)cc1 ZINC000000450594 563319269 /nfs/dbraw/zinc/31/92/69/563319269.db2.gz RUCUXFVBDABKQN-UHFFFAOYSA-N 0 0 326.465 4.554 50 0 EJAARN COc1ccc([C@@H](NC(=S)Nc2ccccc2)c2ccccc2)cc1 ZINC000000450465 563319271 /nfs/dbraw/zinc/31/92/71/563319271.db2.gz XSRLWYZJWWXFDG-FQEVSTJZSA-N 0 0 348.471 4.771 50 0 EJAARN O=C(NC(=S)Nc1ccc2ccccc2c1)c1cccc(Cl)c1 ZINC000000452366 563321392 /nfs/dbraw/zinc/32/13/92/563321392.db2.gz OTQSUVFKULCRMS-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/43/01/61/563430161.db2.gz JJHBQZSWUFVJEU-HXUWFJFHSA-N 0 0 334.444 4.599 50 0 EJAARN CC(C)CC[C@@]1(CCNC(=O)c2cccs2)CCOC(C)(C)C1 ZINC000002444633 563432512 /nfs/dbraw/zinc/43/25/12/563432512.db2.gz XYFWWPIWCWSQJD-LJQANCHMSA-N 0 0 337.529 4.880 50 0 EJAARN O=C1c2ccccc2N([C@H](c2ccccc2)c2ccc(Cl)cc2)C1=O ZINC000002469655 563433234 /nfs/dbraw/zinc/43/32/34/563433234.db2.gz VTKMMMHPJUAGAE-LJQANCHMSA-N 0 0 347.801 4.659 50 0 EJAARN C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccncc1 ZINC000002497260 563434135 /nfs/dbraw/zinc/43/41/35/563434135.db2.gz PXQFZJJATBETDB-UZLBHIALSA-N 0 0 343.430 4.674 50 0 EJAARN CC1(C)COC(CCCC(=O)c2ccc(Cl)cc2Cl)OC1 ZINC000002518142 563438415 /nfs/dbraw/zinc/43/84/15/563438415.db2.gz RBYVDCVVFGIRHM-UHFFFAOYSA-N 0 0 331.239 4.746 50 0 EJAARN CCOc1ccc(NCCC(=O)c2ccc(Br)cc2)cc1 ZINC000002521009 563438609 /nfs/dbraw/zinc/43/86/09/563438609.db2.gz PBPXIMBNPFLXEM-UHFFFAOYSA-N 0 0 348.240 4.533 50 0 EJAARN Cc1ccc(C)c(COc2ccc3c(c2)oc(=O)c2c3CCCC2)c1 ZINC000002551150 563440906 /nfs/dbraw/zinc/44/09/06/563440906.db2.gz FMNXAUGLRQXWBM-UHFFFAOYSA-N 0 0 334.415 4.868 50 0 EJAARN Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCCCC2 ZINC000002558513 563441217 /nfs/dbraw/zinc/44/12/17/563441217.db2.gz QHOPHYOIARLUHL-UHFFFAOYSA-N 0 0 334.872 4.895 50 0 EJAARN O=C(Nc1ccc(F)c(F)c1F)C(c1ccccc1)c1ccccc1 ZINC000002648251 563445191 /nfs/dbraw/zinc/44/51/91/563445191.db2.gz UKUYKGCDJJPAMW-UHFFFAOYSA-N 0 0 341.332 4.875 50 0 EJAARN Cc1ccccc1OC(=O)c1cccc(C(=O)Oc2ccccc2C)c1 ZINC000002689455 563445885 /nfs/dbraw/zinc/44/58/85/563445885.db2.gz LIBNNSNDAMJTFG-UHFFFAOYSA-N 0 0 346.382 4.742 50 0 EJAARN CCn1c(SC/C=C/c2ccccc2)nnc1-c1cccs1 ZINC000002701960 563446250 /nfs/dbraw/zinc/44/62/50/563446250.db2.gz IZQCUSZHWGJNOQ-UXBLZVDNSA-N 0 0 327.478 4.832 50 0 EJAARN O=C(NCCc1ccccc1)c1ccc(CSc2ccccc2)o1 ZINC000002708442 563446644 /nfs/dbraw/zinc/44/66/44/563446644.db2.gz DMLYDTPMMSYXJX-UHFFFAOYSA-N 0 0 337.444 4.544 50 0 EJAARN Cc1cccc(-c2cc(C(=O)N3CCCCC3)c3ccccc3n2)c1 ZINC000002737649 563447722 /nfs/dbraw/zinc/44/77/22/563447722.db2.gz HOAVZDPUZXYRBM-UHFFFAOYSA-N 0 0 330.431 4.836 50 0 EJAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCc2ccccc2C1 ZINC000002744378 563448376 /nfs/dbraw/zinc/44/83/76/563448376.db2.gz SKBCLLFDNSAZPX-UHFFFAOYSA-N 0 0 341.454 4.794 50 0 EJAARN CC1CCN(C(=O)c2cccc(COc3ccccc3Cl)c2)CC1 ZINC000002750318 563448853 /nfs/dbraw/zinc/44/88/53/563448853.db2.gz LINGWVHDEWGUNC-UHFFFAOYSA-N 0 0 343.854 4.791 50 0 EJAARN O=C(Nc1ccc(F)cc1)c1ccc(COc2cccc(Cl)c2)o1 ZINC000002760058 563449488 /nfs/dbraw/zinc/44/94/88/563449488.db2.gz XEQRQPRXOFKNSN-UHFFFAOYSA-N 0 0 345.757 4.903 50 0 EJAARN Oc1ccc(Nc2nc(-c3ccccc3F)nc3ccccc32)cc1 ZINC000002812806 563451855 /nfs/dbraw/zinc/45/18/55/563451855.db2.gz MLYMYTBJWXGOSC-UHFFFAOYSA-N 0 0 331.350 4.885 50 0 EJAARN CC(=O)c1sc2ccccc2c1OC(=O)c1cccc(Cl)c1 ZINC000002812161 563451880 /nfs/dbraw/zinc/45/18/80/563451880.db2.gz CYJHFXJPIVGZGX-UHFFFAOYSA-N 0 0 330.792 4.977 50 0 EJAARN O=Cc1cn(CCCCn2cc(C=O)c3ccccc32)c2ccccc12 ZINC000002838212 563454304 /nfs/dbraw/zinc/45/43/04/563454304.db2.gz XFEHFUQYNZVPII-UHFFFAOYSA-N 0 0 344.414 4.701 50 0 EJAARN CCCOc1ccccc1NC(=O)c1c(C)onc1-c1ccccc1 ZINC000002842323 563454998 /nfs/dbraw/zinc/45/49/98/563454998.db2.gz ONYNAIARXVJBQI-UHFFFAOYSA-N 0 0 336.391 4.691 50 0 EJAARN CC(=O)c1ccc(OCCOc2ccc(Cl)c3cccnc23)cc1 ZINC000002862799 563457498 /nfs/dbraw/zinc/45/74/98/563457498.db2.gz KEQWKPLFOVANEZ-UHFFFAOYSA-N 0 0 341.794 4.549 50 0 EJAARN Cc1cc(Cl)ccc1OCC(=O)Nc1cccc2c1CCCC2 ZINC000002863138 563457682 /nfs/dbraw/zinc/45/76/82/563457682.db2.gz WDNOBROUHMMGHD-UHFFFAOYSA-N 0 0 329.827 4.545 50 0 EJAARN Cc1ccc2oc(=O)n(CCCOc3cc(C)ccc3C(C)C)c2c1 ZINC000002865575 563458024 /nfs/dbraw/zinc/45/80/24/563458024.db2.gz LCUMYLZFROCOCQ-UHFFFAOYSA-N 0 0 339.435 4.804 50 0 EJAARN O=C(CSCc1c(F)cccc1Cl)NCCC1=CCCCC1 ZINC000002872224 563459044 /nfs/dbraw/zinc/45/90/44/563459044.db2.gz JSNDGELAABSSBS-UHFFFAOYSA-N 0 0 341.879 4.719 50 0 EJAARN CCOc1ccc(NC(=O)c2ccc(-c3ccccc3F)o2)cc1 ZINC000002873244 563459347 /nfs/dbraw/zinc/45/93/47/563459347.db2.gz APYVOXUULXDBQD-UHFFFAOYSA-N 0 0 325.339 4.737 50 0 EJAARN CCCOC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(C)cc21 ZINC000002983430 563465836 /nfs/dbraw/zinc/46/58/36/563465836.db2.gz JIQZFZAOQKTFJF-UHFFFAOYSA-N 0 0 335.403 4.786 50 0 EJAARN COc1ccccc1OCCOc1c(C)cc(Cl)cc1Cl ZINC000002985622 563466892 /nfs/dbraw/zinc/46/68/92/563466892.db2.gz GJSYSKPBYOAGRH-UHFFFAOYSA-N 0 0 327.207 4.768 50 0 EJAARN COc1cc(C=O)ccc1OCCOc1ccc(C)cc1C(C)(C)C ZINC000002994817 563468934 /nfs/dbraw/zinc/46/89/34/563468934.db2.gz QTCJHLNQIHUNLJ-UHFFFAOYSA-N 0 0 342.435 4.571 50 0 EJAARN CN(C)c1sc(C(=O)c2ccc(F)cc2)cc1-c1ccccc1 ZINC000003015899 563469785 /nfs/dbraw/zinc/46/97/85/563469785.db2.gz BDEFBKLOPCIYLJ-UHFFFAOYSA-N 0 0 325.408 4.851 50 0 EJAARN Cc1ccc(C(=O)c2c[nH]cc2-c2ccc(Br)cc2)cc1 ZINC000003105283 563472001 /nfs/dbraw/zinc/47/20/01/563472001.db2.gz AQIRHCPPLDLKEJ-UHFFFAOYSA-N 0 0 340.220 4.984 50 0 EJAARN C/C(=C\c1ccccc1)C(=O)NC(=S)Nc1ccc(Cl)cc1C ZINC000003106156 563472492 /nfs/dbraw/zinc/47/24/92/563472492.db2.gz NVTNKRNENPWVBJ-JLHYYAGUSA-N 0 0 344.867 4.565 50 0 EJAARN CCCCc1ccc(NC(=O)NC(=O)c2ccccc2Cl)c(C)c1 ZINC000003125962 563473262 /nfs/dbraw/zinc/47/32/62/563473262.db2.gz NBIOBPLMDUPDIZ-UHFFFAOYSA-N 0 0 344.842 4.953 50 0 EJAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000003136020 563474116 /nfs/dbraw/zinc/47/41/16/563474116.db2.gz RFNSNGDTUMPPHT-UHFFFAOYSA-N 0 0 330.746 4.695 50 0 EJAARN CCc1[nH]nc(-c2ccc(C(C)(C)C)cc2)c1NC(=O)C1CCC1 ZINC000034795780 563480343 /nfs/dbraw/zinc/48/03/43/563480343.db2.gz RRBOZSCWLLEZCO-UHFFFAOYSA-N 0 0 325.456 4.675 50 0 EJAARN CCNC(=O)N1CCC[C@H]1c1nc2cc(-c3cccc(C)c3)ccc2o1 ZINC000034908593 563482059 /nfs/dbraw/zinc/48/20/59/563482059.db2.gz LQLQWELXLIHXJX-SFHVURJKSA-N 0 0 349.434 4.670 50 0 EJAARN Cc1cccc(NC(=O)c2cc(-c3c(C)cc(C)cc3C)n(C)n2)c1 ZINC000034901521 563483598 /nfs/dbraw/zinc/48/35/98/563483598.db2.gz QDZGWRYHUOGIMQ-UHFFFAOYSA-N 0 0 333.435 4.573 50 0 EJAARN Cc1cccc(NC(=O)c2cc(-c3ccc(C(C)(C)C)cc3)n(C)n2)c1 ZINC000034902102 563483952 /nfs/dbraw/zinc/48/39/52/563483952.db2.gz NCZQNMMTIJSTAW-UHFFFAOYSA-N 0 0 347.462 4.945 50 0 EJAARN CCCCC(=O)Nc1c(-c2cccc(F)c2F)nc2cc(C)ccn21 ZINC000034914982 563484221 /nfs/dbraw/zinc/48/42/21/563484221.db2.gz STAVGFYNBRCMJY-UHFFFAOYSA-N 0 0 343.377 4.717 50 0 EJAARN COc1ccccc1OCCCCOc1cccc2ccc(C)nc21 ZINC000003460688 563485285 /nfs/dbraw/zinc/48/52/85/563485285.db2.gz VRRSXMWNUHJUMG-UHFFFAOYSA-N 0 0 337.419 4.790 50 0 EJAARN CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000003843589 563488207 /nfs/dbraw/zinc/48/82/07/563488207.db2.gz ILCTUFVQFCIIDS-HQVUBJEZSA-N 0 0 332.484 4.530 50 0 EJAARN CC(C)c1ccc(Nc2c(-c3ccc(O)cc3)nc3cnccn32)cc1 ZINC000003896490 563490567 /nfs/dbraw/zinc/49/05/67/563490567.db2.gz AWJSEGACNRFOKC-UHFFFAOYSA-N 0 0 344.418 4.969 50 0 EJAARN C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 ZINC000003897979 563491082 /nfs/dbraw/zinc/49/10/82/563491082.db2.gz ZHERTNHFOYXQJR-BROGYYQTSA-N 0 0 341.539 4.924 50 0 EJAARN CC(C)Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)no1 ZINC000003909121 563491274 /nfs/dbraw/zinc/49/12/74/563491274.db2.gz MBKLQCGRXYBWQE-UHFFFAOYSA-N 0 0 346.736 4.798 50 0 EJAARN O=c1oc2cc(OCc3c(F)cccc3Cl)ccc2c2c1CCC2 ZINC000004038762 563493015 /nfs/dbraw/zinc/49/30/15/563493015.db2.gz LQYBXVQIAAEUFZ-UHFFFAOYSA-N 0 0 344.769 4.653 50 0 EJAARN Cc1nc2ccccc2cc1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000004185954 563497243 /nfs/dbraw/zinc/49/72/43/563497243.db2.gz BJECPPPEOCEPHV-UHFFFAOYSA-N 0 0 330.309 4.814 50 0 EJAARN Cc1ccc(C(=O)NC(=S)Nc2cccc3ccccc32)cc1C ZINC000004310110 563499786 /nfs/dbraw/zinc/49/97/86/563499786.db2.gz USGVWMVHNHMKPV-UHFFFAOYSA-N 0 0 334.444 4.583 50 0 EJAARN CC[C@H](C)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000004320230 563500084 /nfs/dbraw/zinc/50/00/84/563500084.db2.gz DCVJWVCDQNLFAZ-DLBZAZTESA-N 0 0 347.462 4.603 50 0 EJAARN c1ccc(C2=NN(c3ccccc3)[C@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000004336651 563500383 /nfs/dbraw/zinc/50/03/83/563500383.db2.gz OMXGMDCWDJHQIA-FQEVSTJZSA-N 0 0 342.398 4.771 50 0 EJAARN CCOc1cc2c(cc1OCC)[C@@H](c1ccc(Cl)cc1)CC(=O)N2 ZINC000004488943 563503571 /nfs/dbraw/zinc/50/35/71/563503571.db2.gz NIWGDZRRAPLFEG-CQSZACIVSA-N 0 0 345.826 4.612 50 0 EJAARN CC(C)(C)c1cc(OC(=O)Cc2cccc3ccccc32)ccc1O ZINC000004659265 563506880 /nfs/dbraw/zinc/50/68/80/563506880.db2.gz ABQKMDIJZMNCPO-UHFFFAOYSA-N 0 0 334.415 4.991 50 0 EJAARN CCCCc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000004660836 563506932 /nfs/dbraw/zinc/50/69/32/563506932.db2.gz OXGNWEOZOPQNEO-UHFFFAOYSA-N 0 0 339.460 4.983 50 0 EJAARN Cc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1O ZINC000004659744 563506941 /nfs/dbraw/zinc/50/69/41/563506941.db2.gz QSNKJZAMTZLMSA-UHFFFAOYSA-N 0 0 331.415 4.861 50 0 EJAARN Cc1ccccc1C(=O)Nc1ccc(F)cc1C(=O)Cc1ccccc1 ZINC000004761516 563510693 /nfs/dbraw/zinc/51/06/93/563510693.db2.gz KSYMWACPTXXAPL-UHFFFAOYSA-N 0 0 347.389 4.812 50 0 EJAARN c1ccc2c(c1)cccc2OCCOCCN1CCCc2ccccc21 ZINC000004759134 563510737 /nfs/dbraw/zinc/51/07/37/563510737.db2.gz AEWUOYMKJFPKSK-UHFFFAOYSA-N 0 0 347.458 4.688 50 0 EJAARN O=C(CSc1ccc2ccccc2c1)Nc1cc(Cl)ccc1O ZINC000004820597 563511923 /nfs/dbraw/zinc/51/19/23/563511923.db2.gz XEJBYGALVLMDIJ-UHFFFAOYSA-N 0 0 343.835 4.930 50 0 EJAARN CCCOc1ccccc1C(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000004824552 563512309 /nfs/dbraw/zinc/51/23/09/563512309.db2.gz YQHZLRHIRKDUMJ-UHFFFAOYSA-N 0 0 346.839 4.991 50 0 EJAARN Cc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2C)cc1 ZINC000004841641 563513133 /nfs/dbraw/zinc/51/31/33/563513133.db2.gz MUZIRKXEIXWDFS-UHFFFAOYSA-N 0 0 343.386 4.759 50 0 EJAARN O=C1c2ccccc2N[C@H](CCc2ccccc2)N1c1ccccc1 ZINC000004844562 563513635 /nfs/dbraw/zinc/51/36/35/563513635.db2.gz BMQRFOHYPDIMIN-NRFANRHFSA-N 0 0 328.415 4.718 50 0 EJAARN O=C(Nc1ccccc1)c1cccnc1-c1nc2ccccc2s1 ZINC000005353649 563528021 /nfs/dbraw/zinc/52/80/21/563528021.db2.gz SMOSYEZPNOQYRE-UHFFFAOYSA-N 0 0 331.400 4.611 50 0 EJAARN CCc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 ZINC000005471119 563533869 /nfs/dbraw/zinc/53/38/69/563533869.db2.gz HRDSXAOFXUCQAY-NSHDSACASA-N 0 0 338.234 4.962 50 0 EJAARN CCCCOc1ccc(C(=O)Nc2ccc(C(=O)CC)cc2)cc1 ZINC000005590978 563541442 /nfs/dbraw/zinc/54/14/42/563541442.db2.gz NWVFVHCWPNJLQA-UHFFFAOYSA-N 0 0 325.408 4.711 50 0 EJAARN COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)cc1 ZINC000005670614 563544399 /nfs/dbraw/zinc/54/43/99/563544399.db2.gz LLWSLPLDHNDQAO-GHTZIAJQSA-N 0 0 346.386 4.531 50 0 EJAARN Cc1ccc(C(=O)c2ccccc2)c(NC(=O)/C=C/c2ccccc2)c1 ZINC000005681975 563545534 /nfs/dbraw/zinc/54/55/34/563545534.db2.gz RUGIPBKAJYCYGF-FYWRMAATSA-N 0 0 341.410 4.878 50 0 EJAARN CC(=O)c1cnc(SCc2ccc(Cl)c(Cl)c2)nc1C ZINC000006184731 563560530 /nfs/dbraw/zinc/56/05/30/563560530.db2.gz HLBQXFHQDICAHW-UHFFFAOYSA-N 0 0 327.236 4.587 50 0 EJAARN CC(C)(C)C1=CSc2nnc(-c3ccc(Cl)cc3Cl)n2N1 ZINC000006357199 563565821 /nfs/dbraw/zinc/56/58/21/563565821.db2.gz ADZHPLGIUTZFIS-UHFFFAOYSA-N 0 0 341.267 4.608 50 0 EJAARN Cc1ccc(C)c(N2C(=S)N=NC2c2csc3c2CCCC3)c1 ZINC000006533789 563571643 /nfs/dbraw/zinc/57/16/43/563571643.db2.gz AXPBSFVLTXJHSW-UHFFFAOYSA-N 0 0 341.505 4.780 50 0 EJAARN O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccccn1 ZINC000006608174 563574342 /nfs/dbraw/zinc/57/43/42/563574342.db2.gz RAZJUOPQLJCENU-UHFFFAOYSA-N 0 0 331.400 4.611 50 0 EJAARN CC(C)c1cnc(-c2ccc(NC(=O)[C@@H]3C[C@H]3c3cccnc3)cc2)o1 ZINC000071909707 563575517 /nfs/dbraw/zinc/57/55/17/563575517.db2.gz IGBKDDCGSDWKMD-ZWKOTPCHSA-N 0 0 347.418 4.602 50 0 EJAARN CC[C@H](C)c1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000006698270 563578911 /nfs/dbraw/zinc/57/89/11/563578911.db2.gz YELSBTGBKLWILH-KRWDZBQOSA-N 0 0 337.467 4.554 50 0 EJAARN C[C@@H](NC(=O)c1ccccc1)c1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000006701625 563580098 /nfs/dbraw/zinc/58/00/98/563580098.db2.gz AEGVGQYNOULHPX-CQSZACIVSA-N 0 0 349.434 4.525 50 0 EJAARN CCC[C@H]1C[C@@](C)(c2csc(Nc3cccc(C)c3)n2)OC1=O ZINC000006783520 563586080 /nfs/dbraw/zinc/58/60/80/563586080.db2.gz AWWCQCQLZUISCS-UGSOOPFHSA-N 0 0 330.453 4.774 50 0 EJAARN Cc1c(Cl)cccc1NC(=O)[C@H](Cc1ccccc1)n1cccc1 ZINC000006805534 563587206 /nfs/dbraw/zinc/58/72/06/563587206.db2.gz USNXXGNWUDFRGW-IBGZPJMESA-N 0 0 338.838 4.872 50 0 EJAARN Cc1ccc(Cl)cc1NC(=O)[C@H](Cc1ccccc1)n1cccc1 ZINC000006805530 563587221 /nfs/dbraw/zinc/58/72/21/563587221.db2.gz XWYTXUHVHUQNGX-IBGZPJMESA-N 0 0 338.838 4.872 50 0 EJAARN O=C(Nc1ccc(Sc2ccccn2)cc1)c1cccnc1Cl ZINC000002562000 563592301 /nfs/dbraw/zinc/59/23/01/563592301.db2.gz OSCHDMBQZCCNDL-UHFFFAOYSA-N 0 0 341.823 4.534 50 0 EJAARN COc1ccc(Cl)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000002620332 563595766 /nfs/dbraw/zinc/59/57/66/563595766.db2.gz LYNVDEKPIGMCLE-UHFFFAOYSA-N 0 0 329.705 4.620 50 0 EJAARN O=C(CSCc1ccccc1)Nc1nc(-c2cccs2)cs1 ZINC000010591012 563597809 /nfs/dbraw/zinc/59/78/09/563597809.db2.gz SRIUKWLCHUIIFD-UHFFFAOYSA-N 0 0 346.502 4.744 50 0 EJAARN O=C(Nc1cccc(Cl)c1)Nc1ccc(Br)cc1F ZINC000002652791 563600049 /nfs/dbraw/zinc/60/00/49/563600049.db2.gz SLVVATXCONJWRI-UHFFFAOYSA-N 0 0 343.583 4.886 50 0 EJAARN COc1ccccc1-c1cnn2c1nc(C)cc2Nc1ccc(C)cc1 ZINC000007572481 563606409 /nfs/dbraw/zinc/60/64/09/563606409.db2.gz VCHJSNLIZITECI-UHFFFAOYSA-N 0 0 344.418 4.765 50 0 EJAARN Cc1cc(NC(C)C)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 ZINC000007636205 563608357 /nfs/dbraw/zinc/60/83/57/563608357.db2.gz HMRNSRFZVBVOCJ-UHFFFAOYSA-N 0 0 334.345 4.544 50 0 EJAARN CCCC[C@H](CC)CNC(=O)[C@H](C)Oc1ccc(Cl)cc1C ZINC000002741510 563608628 /nfs/dbraw/zinc/60/86/28/563608628.db2.gz ZUHBJWDLYMASGY-GJZGRUSLSA-N 0 0 325.880 4.748 50 0 EJAARN CCc1cc(C(=O)Nc2ccc(Br)c(Cl)c2)cs1 ZINC000002736163 563609785 /nfs/dbraw/zinc/60/97/85/563609785.db2.gz NARIRZZOSIIDLN-UHFFFAOYSA-N 0 0 344.661 4.979 50 0 EJAARN CCCCCC(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](CC)C2 ZINC000002736202 563609790 /nfs/dbraw/zinc/60/97/90/563609790.db2.gz OKQGJIWKKQMGTQ-GFCCVEGCSA-N 0 0 337.485 4.568 50 0 EJAARN Cc1nc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)sc1C ZINC000002753939 563612344 /nfs/dbraw/zinc/61/23/44/563612344.db2.gz VBJRXBHVGRDTLM-GQCTYLIASA-N 0 0 327.236 4.719 50 0 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EJAARN COc1ccccc1-c1nnc(SCc2ccc(Cl)cc2)o1 ZINC000012177309 563655022 /nfs/dbraw/zinc/65/50/22/563655022.db2.gz HBEVOYPDOTYQHI-UHFFFAOYSA-N 0 0 332.812 4.691 50 0 EJAARN O=C1C[C@H](c2ccc(OCCc3ccccc3)cc2)c2sccc2N1 ZINC000012376333 563659117 /nfs/dbraw/zinc/65/91/17/563659117.db2.gz BLMBMTFPBYLALW-GOSISDBHSA-N 0 0 349.455 4.844 50 0 EJAARN CCCC(=O)Nc1cc(C)c(O)c(-c2nc3cc(C)c(C)cc3o2)c1 ZINC000012651611 563666828 /nfs/dbraw/zinc/66/68/28/563666828.db2.gz RIEPKFPOXUGPDP-UHFFFAOYSA-N 0 0 338.407 4.864 50 0 EJAARN CCc1ccccc1NC(=O)c1cc(-c2ccco2)nc2onc(C)c21 ZINC000012746837 563669693 /nfs/dbraw/zinc/66/96/93/563669693.db2.gz LFCZADSAXYKNKJ-UHFFFAOYSA-N 0 0 347.374 4.606 50 0 EJAARN O=C(Cc1ccc(Cl)cc1Cl)Nc1cccc2cccnc21 ZINC000012790059 563671236 /nfs/dbraw/zinc/67/12/36/563671236.db2.gz AGSSYBHFDCXLIR-UHFFFAOYSA-N 0 0 331.202 4.723 50 0 EJAARN Cc1nc(C2CC2)nc(Sc2ccc(Br)cc2)c1F ZINC000012788714 563671242 /nfs/dbraw/zinc/67/12/42/563671242.db2.gz CFBUCIILSAERNR-UHFFFAOYSA-N 0 0 339.233 4.715 50 0 EJAARN O=C(Nc1nc2c(ccc3ccccc23)s1)c1ccnc(Cl)c1 ZINC000012793717 563672324 /nfs/dbraw/zinc/67/23/24/563672324.db2.gz AJWPTFKQHVZVNO-UHFFFAOYSA-N 0 0 339.807 4.750 50 0 EJAARN C[C@H](c1ccccc1)N(C)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000012795221 563672749 /nfs/dbraw/zinc/67/27/49/563672749.db2.gz PVGHQXFGEJOJJV-OAHLLOKOSA-N 0 0 332.447 4.880 50 0 EJAARN C[C@@H](NCc1coc(-c2ccc(Cl)cc2)n1)c1cccc(F)c1 ZINC000012799094 563673393 /nfs/dbraw/zinc/67/33/93/563673393.db2.gz HZBIVEBVXWDBTI-GFCCVEGCSA-N 0 0 330.790 4.985 50 0 EJAARN C[C@H](NCc1coc(-c2ccc(Cl)cc2)n1)c1cccc(F)c1 ZINC000012799101 563673443 /nfs/dbraw/zinc/67/34/43/563673443.db2.gz HZBIVEBVXWDBTI-LBPRGKRZSA-N 0 0 330.790 4.985 50 0 EJAARN C[C@@H](CCc1ccc(O)cc1)NC(=O)Nc1cccc2ccccc21 ZINC000012800890 563673803 /nfs/dbraw/zinc/67/38/03/563673803.db2.gz VHMCSTRKOCJNLK-HNNXBMFYSA-N 0 0 334.419 4.688 50 0 EJAARN Cc1nc(C)c(-c2ccc(SCc3cccc(C)c3)nn2)s1 ZINC000004392153 563677076 /nfs/dbraw/zinc/67/70/76/563677076.db2.gz WMYHKFXKHBQFOX-UHFFFAOYSA-N 0 0 327.478 4.818 50 0 EJAARN O=C(CSc1cccc2cccnc21)Nc1ccccc1Cl ZINC000004393403 563677507 /nfs/dbraw/zinc/67/75/07/563677507.db2.gz XMBFCTNUESMLTO-UHFFFAOYSA-N 0 0 328.824 4.619 50 0 EJAARN Cc1nc(-c2ccsc2)sc1C(=O)N[C@@H](C)c1ccccc1 ZINC000012977323 563680438 /nfs/dbraw/zinc/68/04/38/563680438.db2.gz UFSMXCYBKSTGLA-NSHDSACASA-N 0 0 328.462 4.671 50 0 EJAARN Clc1ccc2[nH]cc(-c3nnnn3-c3ccc4ccccc4c3)c2c1 ZINC000013126781 563689639 /nfs/dbraw/zinc/68/96/39/563689639.db2.gz CREGBRLXPSFGQK-UHFFFAOYSA-N 0 0 345.793 4.617 50 0 aggregator EJAARN CC(C)[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000013304454 563694254 /nfs/dbraw/zinc/69/42/54/563694254.db2.gz ITNCIGYKTVOSNI-MJGOQNOKSA-N 0 0 326.827 4.866 50 0 EJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cc(F)ccc1F ZINC000013325596 563694486 /nfs/dbraw/zinc/69/44/86/563694486.db2.gz HTLJFWIVFJGTBZ-UHFFFAOYSA-N 0 0 348.736 4.834 50 0 EJAARN CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(F)cc1Cl ZINC000013326557 563695361 /nfs/dbraw/zinc/69/53/61/563695361.db2.gz QCCFNESQEBHSHO-LBPRGKRZSA-N 0 0 335.806 4.756 50 0 EJAARN CCCn1c2ccccc2nc1NCc1cccc(Br)c1 ZINC000013361850 563697025 /nfs/dbraw/zinc/69/70/25/563697025.db2.gz YTPSWNXGKQMDLM-UHFFFAOYSA-N 0 0 344.256 4.821 50 0 EJAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000013464191 563698448 /nfs/dbraw/zinc/69/84/48/563698448.db2.gz JZLMMQSLSDGJJE-WQVCFCJDSA-N 0 0 327.390 4.896 50 0 EJAARN Cc1cc(Cl)ccc1NC(=S)NCc1ccc(Cl)cc1 ZINC000013482747 563699560 /nfs/dbraw/zinc/69/95/60/563699560.db2.gz DXFMWFNJBYEBSQ-UHFFFAOYSA-N 0 0 325.264 4.788 50 0 EJAARN Cc1c2cccc(F)c2oc1C(=O)Nc1ccccc1N1CCCC1 ZINC000032718949 563701804 /nfs/dbraw/zinc/70/18/04/563701804.db2.gz ZWEPTYNNCOMTCZ-UHFFFAOYSA-N 0 0 338.382 4.733 50 0 EJAARN O=C(Nc1nnc(-c2ccc(F)cc2)s1)Nc1ccc(Cl)cc1 ZINC000013571055 563702151 /nfs/dbraw/zinc/70/21/51/563702151.db2.gz IZQJWJLRPVJUFC-UHFFFAOYSA-N 0 0 348.790 4.642 50 0 EJAARN C[C@@H](NC(=O)CSc1ccc(F)c(Cl)c1)c1cccs1 ZINC000032719099 563702157 /nfs/dbraw/zinc/70/21/57/563702157.db2.gz CUVKAMYSEBMGJH-SECBINFHSA-N 0 0 329.849 4.510 50 0 EJAARN CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)c1ccco1 ZINC000032719625 563704818 /nfs/dbraw/zinc/70/48/18/563704818.db2.gz LVMZRHVAKQQFDB-UHFFFAOYSA-N 0 0 335.403 4.521 50 0 EJAARN c1ccc(Cc2nn3c(-c4ccccc4)nnc3c3ccccc23)cc1 ZINC000013628201 563704824 /nfs/dbraw/zinc/70/48/24/563704824.db2.gz MXSPLXCTHVYFIB-UHFFFAOYSA-N 0 0 336.398 4.535 50 0 EJAARN O=C(Nc1ccc2ccccc2c1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000013627482 563704832 /nfs/dbraw/zinc/70/48/32/563704832.db2.gz XLRBYPXXOOUSRP-NRFANRHFSA-N 0 0 347.414 4.650 50 0 EJAARN CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1ccccc1Cl ZINC000013709862 563714529 /nfs/dbraw/zinc/71/45/29/563714529.db2.gz YJSRVWZMKWLJDN-ZDUSSCGKSA-N 0 0 331.843 4.871 50 0 EJAARN CCc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)s1 ZINC000032740775 563721633 /nfs/dbraw/zinc/72/16/33/563721633.db2.gz VRZBYSZFIKLMEH-UHFFFAOYSA-N 0 0 329.421 4.604 50 0 EJAARN Cc1cccc(-c2nnc(-c3cccc(NC(=O)C(C)(C)C)c3)o2)c1 ZINC000013843292 563726112 /nfs/dbraw/zinc/72/61/12/563726112.db2.gz MBZCNVCYWABVHD-UHFFFAOYSA-N 0 0 335.407 4.697 50 0 EJAARN CC[C@@H](SC(C)=O)C(=O)N1c2ccccc2Sc2ccccc21 ZINC000013858236 563726895 /nfs/dbraw/zinc/72/68/95/563726895.db2.gz HCUZNGLGQWWSSO-OAHLLOKOSA-N 0 0 343.473 4.874 50 0 EJAARN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Cc1c(F)cccc1Cl ZINC000032753920 563727205 /nfs/dbraw/zinc/72/72/05/563727205.db2.gz MAHALPKIJVPZJG-LBPRGKRZSA-N 0 0 345.801 4.987 50 0 EJAARN CCc1ccc([C@H](C)NC(=S)Nc2cc(C)ccc2OC)cc1 ZINC000013931071 563730333 /nfs/dbraw/zinc/73/03/33/563730333.db2.gz DCHSVQBSGAJFAO-AWEZNQCLSA-N 0 0 328.481 4.614 50 0 EJAARN COc1cccc([C@H](C)NC(=S)Nc2cccc3ccccc32)c1 ZINC000013932529 563730946 /nfs/dbraw/zinc/73/09/46/563730946.db2.gz IHWBLCAILRXXIL-AWEZNQCLSA-N 0 0 336.460 4.896 50 0 EJAARN Cc1ccc(S[C@H](C)C(=O)Nc2cccc(OC(C)C)c2)cc1 ZINC000013942010 563731739 /nfs/dbraw/zinc/73/17/39/563731739.db2.gz JNXAOBDHADIPEG-OAHLLOKOSA-N 0 0 329.465 4.902 50 0 EJAARN c1coc(-c2nnc3sc(-c4ccc(-c5ccccc5)cc4)nn32)c1 ZINC000013957001 563733127 /nfs/dbraw/zinc/73/31/27/563733127.db2.gz OESIHBPYWLASNS-UHFFFAOYSA-N 0 0 344.399 4.780 50 0 EJAARN O=C(CSc1ccc(F)cc1)Nc1ccc2c3c(cccc31)CC2 ZINC000004496766 563734554 /nfs/dbraw/zinc/73/45/54/563734554.db2.gz SQWONJKTDURERZ-UHFFFAOYSA-N 0 0 337.419 4.808 50 0 EJAARN Cc1cc(-c2nnc(SCc3cccc(Cl)c3)n2C)cs1 ZINC000013997598 563735021 /nfs/dbraw/zinc/73/50/21/563735021.db2.gz QFCQYFSLRTXZAT-UHFFFAOYSA-N 0 0 335.885 4.798 50 0 EJAARN O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000014014764 563735762 /nfs/dbraw/zinc/73/57/62/563735762.db2.gz XFMNNLXXZHATIW-QGZVFWFLSA-N 0 0 347.443 4.755 50 0 EJAARN Cc1csc(NC(=O)c2ccccc2SCc2ccco2)n1 ZINC000014021932 563736536 /nfs/dbraw/zinc/73/65/36/563736536.db2.gz JTDDGXFPSFOYHI-UHFFFAOYSA-N 0 0 330.434 4.589 50 0 EJAARN Cc1nc2ccc(NC(=O)CSc3ccc(C)cc3)cc2s1 ZINC000004496435 563736876 /nfs/dbraw/zinc/73/68/76/563736876.db2.gz VMWOHDGKTOHHPL-UHFFFAOYSA-N 0 0 328.462 4.644 50 0 EJAARN COc1cc(CO)ccc1OCc1c(C)cc(C(C)(C)C)cc1C ZINC000014086641 563738779 /nfs/dbraw/zinc/73/87/79/563738779.db2.gz TXMPVHXQGLMRMI-UHFFFAOYSA-N 0 0 328.452 4.681 50 0 EJAARN C[C@H](NC(=O)CCC(=O)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000014118869 563742802 /nfs/dbraw/zinc/74/28/02/563742802.db2.gz WHMAHWMWJJKZDL-ZDUSSCGKSA-N 0 0 349.352 4.546 50 0 EJAARN O=C(Nc1cccc2cccnc21)c1csc(-c2cccs2)n1 ZINC000014139414 563744873 /nfs/dbraw/zinc/74/48/73/563744873.db2.gz GESVPTCLSUGWKY-UHFFFAOYSA-N 0 0 337.429 4.672 50 0 EJAARN FC(F)(F)c1nc2ccccc2c(N[C@@H]2CCOc3ccccc32)n1 ZINC000014169293 563746550 /nfs/dbraw/zinc/74/65/50/563746550.db2.gz YFLZHIQAOWGUOQ-CQSZACIVSA-N 0 0 345.324 4.584 50 0 EJAARN O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1c[nH]c2ccccc12 ZINC000014170600 563747145 /nfs/dbraw/zinc/74/71/45/563747145.db2.gz PMFCZZLBLPKGHU-JOCHJYFZSA-N 0 0 340.426 4.882 50 0 EJAARN COc1ccc2cc([C@H](C)C(=O)N[C@@H](C)c3ccccc3)ccc2c1 ZINC000014171740 563747174 /nfs/dbraw/zinc/74/71/74/563747174.db2.gz KAGMPABCTWFXKG-HOTGVXAUSA-N 0 0 333.431 4.829 50 0 EJAARN COc1ccc(O[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000004517016 563752413 /nfs/dbraw/zinc/75/24/13/563752413.db2.gz YPIDMQYLIAPRSE-LLVKDONJSA-N 0 0 330.771 4.539 50 0 EJAARN Cc1csc(-n2c(C)cc(-c3csc(NC4CC4)n3)c2C)n1 ZINC000014234130 563753168 /nfs/dbraw/zinc/75/31/68/563753168.db2.gz CREAENRFUKJPDP-UHFFFAOYSA-N 0 0 330.482 4.557 50 0 EJAARN Cc1nnc(Sc2nc(-c3cccs3)nc3ccccc32)s1 ZINC000014242552 563754342 /nfs/dbraw/zinc/75/43/42/563754342.db2.gz PCUOJLVIEXPMMM-UHFFFAOYSA-N 0 0 342.474 4.669 50 0 EJAARN Cc1ccc(C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)c(C)c1 ZINC000014349217 563758180 /nfs/dbraw/zinc/75/81/80/563758180.db2.gz YRVTUTXRWRYWME-UHFFFAOYSA-N 0 0 330.431 4.714 50 0 EJAARN C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc4ccccc42)N3)C1 ZINC000004543307 563763120 /nfs/dbraw/zinc/76/31/20/563763120.db2.gz FJCFFPKEYQKCJE-HXPMCKFVSA-N 0 0 348.471 4.880 50 0 EJAARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc4ccccc42)N3)C1 ZINC000004543306 563763160 /nfs/dbraw/zinc/76/31/60/563763160.db2.gz FJCFFPKEYQKCJE-CWTRNNRKSA-N 0 0 348.471 4.880 50 0 EJAARN CC[C@H](C)c1ccc(NC(=O)Cc2cnn(-c3ccccc3)c2)cc1 ZINC000014898934 563766857 /nfs/dbraw/zinc/76/68/57/563766857.db2.gz RCTXZUFDNCHXFZ-INIZCTEOSA-N 0 0 333.435 4.567 50 0 EJAARN COCc1cccc(C(=O)Nc2cccc(-c3csc(C)n3)c2)c1 ZINC000014940519 563767277 /nfs/dbraw/zinc/76/72/77/563767277.db2.gz URNBKAYXLYQSJJ-UHFFFAOYSA-N 0 0 338.432 4.517 50 0 EJAARN Cc1nc2c3ccccc3nc(S[C@H](C)c3ccc(F)cc3)n2n1 ZINC000032871530 563768645 /nfs/dbraw/zinc/76/86/45/563768645.db2.gz ISURWEDSQLOMEI-LLVKDONJSA-N 0 0 338.411 4.578 50 0 EJAARN Cc1oc(-c2cccs2)nc1CN1CCCC[C@H]1c1nccs1 ZINC000014977345 563769995 /nfs/dbraw/zinc/76/99/95/563769995.db2.gz HHTLPNYHOZANOS-AWEZNQCLSA-N 0 0 345.493 4.895 50 0 EJAARN COc1ccccc1[C@@H]1Nc2ccc(Cl)cc2[C@H]2OCCC[C@@H]12 ZINC000015018112 563773373 /nfs/dbraw/zinc/77/33/73/563773373.db2.gz ZTKNUNAHEXHPEO-JVPBZIDWSA-N 0 0 329.827 4.983 50 0 EJAARN Cc1nn(-c2ccc(F)cc2)c2c1[C@@H](c1cccnc1)SC(C)=N2 ZINC000015085602 563777591 /nfs/dbraw/zinc/77/75/91/563777591.db2.gz HKICSGCWTYQILE-QGZVFWFLSA-N 0 0 338.411 4.601 50 0 EJAARN C[C@H](Nc1ncnc2scc(-c3ccccc3)c21)c1ccccn1 ZINC000015171937 563779235 /nfs/dbraw/zinc/77/92/35/563779235.db2.gz FIBZVJIQGIKIRE-ZDUSSCGKSA-N 0 0 332.432 4.926 50 0 EJAARN O=C(Cc1cccc2ccccc21)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000032895209 563780685 /nfs/dbraw/zinc/78/06/85/563780685.db2.gz BNWPFGUDAYPKHR-HOTGVXAUSA-N 0 0 335.369 4.620 50 0 EJAARN ClC1(Cl)C[C@H]1CSc1nnc(-c2c[nH]c3ccccc32)o1 ZINC000015355194 563783517 /nfs/dbraw/zinc/78/35/17/563783517.db2.gz OARDMZDQRLZWPG-QMMMGPOBSA-N 0 0 340.235 4.504 50 0 EJAARN O=C(Nc1ccc(OC(=O)C2CCCC2)cc1)c1ccccc1Cl ZINC000015540171 563786555 /nfs/dbraw/zinc/78/65/55/563786555.db2.gz PXYWWAQVJUEZNF-UHFFFAOYSA-N 0 0 343.810 4.688 50 0 EJAARN CCc1cccc(CC)c1NC(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC000015583821 563787511 /nfs/dbraw/zinc/78/75/11/563787511.db2.gz HZWNPHZFDWRKND-MRXNPFEDSA-N 0 0 343.854 4.655 50 0 EJAARN COc1cccc(NC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)c1 ZINC000015577000 563787519 /nfs/dbraw/zinc/78/75/19/563787519.db2.gz HAKKTPKHPZJMQX-AWEZNQCLSA-N 0 0 335.403 4.599 50 0 EJAARN CCOc1ccc(-c2cc(C(=O)Oc3ccccc3Cl)no2)cc1 ZINC000015669822 563789965 /nfs/dbraw/zinc/78/99/65/563789965.db2.gz URCQHOVWGINNDN-UHFFFAOYSA-N 0 0 343.766 4.613 50 0 EJAARN C[C@@H](NC(=O)CCC(=O)c1ccc(F)cc1)c1cccc2ccccc21 ZINC000015741602 563791422 /nfs/dbraw/zinc/79/14/22/563791422.db2.gz LSMXXQLNSQINNK-OAHLLOKOSA-N 0 0 349.405 4.819 50 0 EJAARN CCc1ccc2oc(C(=O)Nc3ccc4nsnc4c3)c(C)c2c1 ZINC000015841348 563796268 /nfs/dbraw/zinc/79/62/68/563796268.db2.gz RKTBPXQDGVMYHB-UHFFFAOYSA-N 0 0 337.404 4.561 50 0 EJAARN COc1ccc(-c2ccc(CCC(=O)Nc3ccccc3F)o2)cc1 ZINC000015867356 563798955 /nfs/dbraw/zinc/79/89/55/563798955.db2.gz BHHNTLFYELPVNP-UHFFFAOYSA-N 0 0 339.366 4.666 50 0 EJAARN CC1(C)c2cc(Cl)ccc2-n2c1cc(O)c(-c1ccccc1)c2=O ZINC000015923717 563800141 /nfs/dbraw/zinc/80/01/41/563800141.db2.gz FJNADZSPACHLFJ-UHFFFAOYSA-N 0 0 337.806 4.503 50 0 EJAARN CCc1cccc(C)c1Nc1nnc(S[C@@H]2CCCCC2=O)s1 ZINC000016328018 563808799 /nfs/dbraw/zinc/80/87/99/563808799.db2.gz XUHKSKVVQNQPRO-CQSZACIVSA-N 0 0 347.509 4.756 50 0 EJAARN Cc1ccc2cccc(NC(=O)c3cccc(Br)c3)c2n1 ZINC000016348877 563809282 /nfs/dbraw/zinc/80/92/82/563809282.db2.gz QDOPRMNUYOHIGG-UHFFFAOYSA-N 0 0 341.208 4.558 50 0 EJAARN Cc1sc(NC(=O)c2c(F)cccc2F)nc1-c1ccc(C)cc1 ZINC000016603274 563816361 /nfs/dbraw/zinc/81/63/61/563816361.db2.gz QTERVCQQEUIKTF-UHFFFAOYSA-N 0 0 344.386 4.957 50 0 EJAARN CC[C@H](C)Oc1cccc(C(=O)Nc2cccc3ccc(C)nc32)c1 ZINC000016610478 563817689 /nfs/dbraw/zinc/81/76/89/563817689.db2.gz CMHJOUJQXATUJW-HNNXBMFYSA-N 0 0 334.419 4.973 50 0 EJAARN Cc1ccc(NC(=O)Nc2nnc(-c3ccccc3Cl)s2)cc1 ZINC000017044572 563830314 /nfs/dbraw/zinc/83/03/14/563830314.db2.gz XIQNZBXDVFDMGM-UHFFFAOYSA-N 0 0 344.827 4.811 50 0 EJAARN O=C1c2ccccc2C(=O)N1[C@@H](Sc1ccccc1)c1ccccc1 ZINC000145242512 563830613 /nfs/dbraw/zinc/83/06/13/563830613.db2.gz SENNFJRKWDDTQW-NRFANRHFSA-N 0 0 345.423 4.774 50 0 EJAARN CCCn1c(SCc2ccccc2C)nnc1-c1ccoc1C ZINC000017067116 563831340 /nfs/dbraw/zinc/83/13/40/563831340.db2.gz FGHJEFBGRYFCKV-UHFFFAOYSA-N 0 0 327.453 4.857 50 0 EJAARN Cc1cc(OC(F)F)ccc1NC(=O)Nc1ccc(F)cc1F ZINC000017067184 563831354 /nfs/dbraw/zinc/83/13/54/563831354.db2.gz VGBMKYVPIGFMAF-UHFFFAOYSA-N 0 0 328.265 4.519 50 0 EJAARN FC(F)(F)c1cccc(NC(=S)Nc2cccnc2Cl)c1 ZINC000017068157 563831985 /nfs/dbraw/zinc/83/19/85/563831985.db2.gz ALZFUCDUPHAOGX-UHFFFAOYSA-N 0 0 331.750 4.563 50 0 EJAARN Cn1c(CCc2ccccc2)nnc1SCc1ccc(Cl)cc1 ZINC000017071791 563835378 /nfs/dbraw/zinc/83/53/78/563835378.db2.gz SQLZEEMTZRVCLG-UHFFFAOYSA-N 0 0 343.883 4.546 50 0 EJAARN COc1ccccc1-c1cc(C(F)(F)F)c2c(C3CC3)nn(C)c2n1 ZINC000017072229 563835622 /nfs/dbraw/zinc/83/56/22/563835622.db2.gz LROXTEFNJAUBJS-UHFFFAOYSA-N 0 0 347.340 4.540 50 0 EJAARN Cc1ccccc1Nc1ncnc2c1cnn2-c1cc(Cl)ccc1C ZINC000017136038 563838127 /nfs/dbraw/zinc/83/81/27/563838127.db2.gz YPFDRGUECRPHEB-UHFFFAOYSA-N 0 0 349.825 4.829 50 0 EJAARN COC(=O)c1ccc(-c2ccc(/C=C(/c3ccccc3)[N+](=O)[O-])o2)cc1 ZINC000017146104 563838478 /nfs/dbraw/zinc/83/84/78/563838478.db2.gz TYPCDKPAHSDYRZ-AQTBWJFISA-N 0 0 349.342 4.508 50 0 EJAARN c1csc(-c2nnc3sc(-c4cccc5ccccc54)nn32)c1 ZINC000017172982 563839545 /nfs/dbraw/zinc/83/95/45/563839545.db2.gz DARKUHDUZAOCTO-UHFFFAOYSA-N 0 0 334.429 4.735 50 0 EJAARN CCCCc1ccc(N2C(=O)CS[C@H]2c2ccc(F)cc2)cc1 ZINC000017198473 563840298 /nfs/dbraw/zinc/84/02/98/563840298.db2.gz XAXLNZQZFACRHH-IBGZPJMESA-N 0 0 329.440 4.947 50 0 EJAARN Cc1ccc2[nH]c(SCC(=O)Nc3cccc4ccccc43)nc2c1 ZINC000018219793 563851285 /nfs/dbraw/zinc/85/12/85/563851285.db2.gz MTZLJGQYWBFKHH-UHFFFAOYSA-N 0 0 347.443 4.755 50 0 EJAARN Cc1cccc(Oc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2)c1C ZINC000018241432 563851656 /nfs/dbraw/zinc/85/16/56/563851656.db2.gz RZYNNRJDLAHMIO-OALUTQOASA-N 0 0 349.430 4.775 50 0 EJAARN CCCc1nnc(NC(=O)c2ccccc2Oc2ccccc2)s1 ZINC000018889619 563852882 /nfs/dbraw/zinc/85/28/82/563852882.db2.gz ABMDPHMMZGQQEG-UHFFFAOYSA-N 0 0 339.420 4.535 50 0 EJAARN COc1ccc(C(C)(C)C)cc1NC(=O)COc1cccc(Cl)c1 ZINC000032942944 563859013 /nfs/dbraw/zinc/85/90/13/563859013.db2.gz ASRKRIQTVIKMBF-UHFFFAOYSA-N 0 0 347.842 4.664 50 0 EJAARN Cc1ccc2c(c1)CCCN2C(=O)c1ccc(OC2CCCC2)cc1 ZINC000020407559 563859039 /nfs/dbraw/zinc/85/90/39/563859039.db2.gz ZOUZVFNVBFZXSD-UHFFFAOYSA-N 0 0 335.447 4.909 50 0 EJAARN FC(F)(F)c1cc(N2CCC(n3cccc3)CC2)c2ccccc2n1 ZINC000020443745 563859433 /nfs/dbraw/zinc/85/94/33/563859433.db2.gz KRSNSEHDNGRKOV-UHFFFAOYSA-N 0 0 345.368 4.897 50 0 EJAARN CCCC(=O)Nc1ccc(OCc2ccccc2Cl)c(C(C)=O)c1 ZINC000023985896 563867901 /nfs/dbraw/zinc/86/79/01/563867901.db2.gz LBFDDFJSEPLRSP-UHFFFAOYSA-N 0 0 345.826 4.860 50 0 EJAARN COC(=O)c1ccoc1CSc1nc2cc(Cl)ccc2s1 ZINC000024039189 563868435 /nfs/dbraw/zinc/86/84/35/563868435.db2.gz TXUQPMZSVNBXJN-UHFFFAOYSA-N 0 0 339.825 4.622 50 0 EJAARN Cc1noc(C)c1COC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000024282977 563870368 /nfs/dbraw/zinc/87/03/68/563870368.db2.gz MOHFLFORKSFUIV-UHFFFAOYSA-N 0 0 331.368 4.516 50 0 EJAARN CCc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)s1 ZINC000024831529 563876308 /nfs/dbraw/zinc/87/63/08/563876308.db2.gz CXUJRSCVJONWFJ-AWEZNQCLSA-N 0 0 342.489 4.898 50 0 EJAARN CCc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)s1 ZINC000024831526 563876322 /nfs/dbraw/zinc/87/63/22/563876322.db2.gz CXUJRSCVJONWFJ-CQSZACIVSA-N 0 0 342.489 4.898 50 0 EJAARN C[C@@H](c1nc2ccccc2n1C(F)F)N1CCc2ccccc2C1 ZINC000024976566 563878854 /nfs/dbraw/zinc/87/88/54/563878854.db2.gz DZOPFFXKTSJNPC-ZDUSSCGKSA-N 0 0 327.378 4.551 50 0 EJAARN O=C(Nc1cccc(Br)c1)c1sccc1-n1cccc1 ZINC000025153108 563881573 /nfs/dbraw/zinc/88/15/73/563881573.db2.gz ZIFYMNDJJGQAOM-UHFFFAOYSA-N 0 0 347.237 4.554 50 0 EJAARN Cc1cc(CNc2nc(-c3ccncc3)nc3ccccc32)ccc1F ZINC000025165714 563881943 /nfs/dbraw/zinc/88/19/43/563881943.db2.gz HIISNMLKLUPIMO-UHFFFAOYSA-N 0 0 344.393 4.751 50 0 EJAARN O=C(Nc1ccc(Cl)c2ncccc12)c1ccc2ncsc2c1 ZINC000026072859 563889779 /nfs/dbraw/zinc/88/97/79/563889779.db2.gz LTAJKORHYIJZBM-UHFFFAOYSA-N 0 0 339.807 4.750 50 0 EJAARN O=C(Nc1cccc(OCc2ccccn2)c1)c1cccc(Cl)c1 ZINC000026254726 563890462 /nfs/dbraw/zinc/89/04/62/563890462.db2.gz VWSDZSHVPGUPRI-UHFFFAOYSA-N 0 0 338.794 4.566 50 0 EJAARN O=C(Nc1cnc2ccccc2c1)c1cccnc1Oc1ccccc1 ZINC000026747991 563893245 /nfs/dbraw/zinc/89/32/45/563893245.db2.gz ZHUDEDRSZIDYLS-UHFFFAOYSA-N 0 0 341.370 4.674 50 0 EJAARN C[C@H](Sc1ccc(F)c(F)c1)C(=O)Nc1cccc2ncccc21 ZINC000026837988 563893446 /nfs/dbraw/zinc/89/34/46/563893446.db2.gz YPVRZKFYHYUOHF-NSHDSACASA-N 0 0 344.386 4.632 50 0 EJAARN O=C(Cc1cccs1)Nc1cccc(OCc2ccc(F)cc2)c1 ZINC000027279923 563894975 /nfs/dbraw/zinc/89/49/75/563894975.db2.gz MGRSDOQBCSZSQI-UHFFFAOYSA-N 0 0 341.407 4.647 50 0 EJAARN O=C(c1cccc(Cl)c1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000027386412 563895694 /nfs/dbraw/zinc/89/56/94/563895694.db2.gz RKQWXDMEEFEXIA-AWEZNQCLSA-N 0 0 340.810 4.501 50 0 EJAARN COc1ccc(C(=O)N(Cc2cccs2)c2ccc(C)cc2)cc1 ZINC000027581931 563897196 /nfs/dbraw/zinc/89/71/96/563897196.db2.gz DPSVMPIWVCNRDK-UHFFFAOYSA-N 0 0 337.444 4.912 50 0 EJAARN O=C(Nc1cc(-c2ccc(Cl)cc2)no1)c1ccccc1Cl ZINC000027662950 563898388 /nfs/dbraw/zinc/89/83/88/563898388.db2.gz USBKVKFQZWNGIV-UHFFFAOYSA-N 0 0 333.174 4.901 50 0 EJAARN COc1cccc(N(Cc2cccs2)C(=O)c2cccs2)c1 ZINC000027664304 563898529 /nfs/dbraw/zinc/89/85/29/563898529.db2.gz IEPKBMLUVASWRI-UHFFFAOYSA-N 0 0 329.446 4.665 50 0 EJAARN Cc1cc2oc(C(=O)Nc3ccc4ccccc4c3)cc(=O)c2cc1C ZINC000027664617 563898784 /nfs/dbraw/zinc/89/87/84/563898784.db2.gz NFIYFKKCYPBQDV-UHFFFAOYSA-N 0 0 343.382 4.815 50 0 EJAARN c1coc(-c2n[nH]c(-c3ccccc3)c2-c2nc3ccccc3[nH]2)c1 ZINC000027788988 563899552 /nfs/dbraw/zinc/89/95/52/563899552.db2.gz KBOLTIVCYMXDOH-UHFFFAOYSA-N 0 0 326.359 4.880 50 0 EJAARN Nc1c(Cl)cc(NC(=O)Cc2ccc3c(c2)CCCC3)cc1Cl ZINC000027994803 563901096 /nfs/dbraw/zinc/90/10/96/563901096.db2.gz UKEYGLOHDPCMCQ-UHFFFAOYSA-N 0 0 349.261 4.636 50 0 EJAARN CC(=O)Nc1ccc(NC(=O)c2oc3c(ccc(C)c3C)c2C)cc1 ZINC000027995099 563901117 /nfs/dbraw/zinc/90/11/17/563901117.db2.gz HMUUHYVXKWEYBX-UHFFFAOYSA-N 0 0 336.391 4.569 50 0 EJAARN O=C(c1ccc(F)c(F)c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000028210423 563901716 /nfs/dbraw/zinc/90/17/16/563901716.db2.gz QXJYWKXNVPMJAO-UHFFFAOYSA-N 0 0 337.369 4.807 50 0 EJAARN Cc1cc(C)c(S(=O)(=O)Nc2cccc3ccccc32)cc1C ZINC000028463434 563903146 /nfs/dbraw/zinc/90/31/46/563903146.db2.gz OBPRJQHUWPCFJE-UHFFFAOYSA-N 0 0 325.433 4.566 50 0 EJAARN O=C(c1sc2ccccc2c1Cl)N(Cc1cccnc1)C1CC1 ZINC000028515633 563903251 /nfs/dbraw/zinc/90/32/51/563903251.db2.gz ZUBLECQKLKHETG-UHFFFAOYSA-N 0 0 342.851 4.755 50 0 EJAARN Cc1ccc(OCCSc2n[nH]c(-c3ccc(Cl)cc3)n2)cc1 ZINC000028807317 563904101 /nfs/dbraw/zinc/90/41/01/563904101.db2.gz DOEXERZZSDMMRT-UHFFFAOYSA-N 0 0 345.855 4.605 50 0 EJAARN Fc1cccc(-c2nc(CN3CCC[C@H]3c3cccs3)co2)c1 ZINC000028962561 563904687 /nfs/dbraw/zinc/90/46/87/563904687.db2.gz GDLCKFXNVQKBBM-INIZCTEOSA-N 0 0 328.412 4.879 50 0 EJAARN CSc1ccc(C)c(C(=O)NCc2ccccc2COC(C)C)c1 ZINC000030367997 563909719 /nfs/dbraw/zinc/90/97/19/563909719.db2.gz YJIARRKUMUTTIT-UHFFFAOYSA-N 0 0 343.492 4.572 50 0 EJAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCO[C@@H](c2ccccc2)C1 ZINC000030765244 563910702 /nfs/dbraw/zinc/91/07/02/563910702.db2.gz AUTKZEJTPGSHBN-JOCHJYFZSA-N 0 0 343.426 4.567 50 0 EJAARN Cc1ccc2cccc(SCC(=O)Nc3cccc(C)c3C)c2n1 ZINC000030835556 563910821 /nfs/dbraw/zinc/91/08/21/563910821.db2.gz UECFOUHNLORDHY-UHFFFAOYSA-N 0 0 336.460 4.891 50 0 EJAARN O=C(c1cc(-c2ccc(F)cc2)on1)N1CCC[C@H]1c1cccs1 ZINC000033012285 563914779 /nfs/dbraw/zinc/91/47/79/563914779.db2.gz GUIGLHBPCMIOSH-HNNXBMFYSA-N 0 0 342.395 4.520 50 0 EJAARN CCc1onc(C)c1[C@@H]1CCCN1C(=O)Nc1cccc(Cl)c1 ZINC000033270597 563915614 /nfs/dbraw/zinc/91/56/14/563915614.db2.gz LCZOKRHRPDQVAE-AWEZNQCLSA-N 0 0 333.819 4.568 50 0 EJAARN CCc1onc(C)c1[C@H]1CCCN1C(=O)Nc1cc(Cl)ccc1C ZINC000033270620 563915641 /nfs/dbraw/zinc/91/56/41/563915641.db2.gz LSWGHYRZBWFKHV-OAHLLOKOSA-N 0 0 347.846 4.876 50 0 EJAARN CCC(CC)C(=O)Nc1ccc(CCc2nc3ccccc3[nH]2)cc1 ZINC000032960655 563916725 /nfs/dbraw/zinc/91/67/25/563916725.db2.gz BAGKFXWRFLQCQX-UHFFFAOYSA-N 0 0 335.451 4.723 50 0 EJAARN O=C(NCc1cccc2ccccc21)c1ccccc1C(F)(F)F ZINC000000443629 563917412 /nfs/dbraw/zinc/91/74/12/563917412.db2.gz HFJJGLJPYFMMRJ-UHFFFAOYSA-N 0 0 329.321 4.789 50 0 EJAARN CCSc1nc2ccccc2n1C(=O)c1cccc2ccccc21 ZINC000000450473 563917511 /nfs/dbraw/zinc/91/75/11/563917511.db2.gz RVIKOGBPNQGQAH-UHFFFAOYSA-N 0 0 332.428 4.990 50 0 EJAARN Cc1ccc(OCCCC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000001773416 563917931 /nfs/dbraw/zinc/91/79/31/563917931.db2.gz LCDHNNJJZLCNQF-UHFFFAOYSA-N 0 0 337.341 4.812 50 0 EJAARN Cc1nn(-c2nc3ccccc3s2)c(C)c1Oc1ccccc1O ZINC000003177516 563918843 /nfs/dbraw/zinc/91/88/43/563918843.db2.gz RCROWWJZFXZSGB-UHFFFAOYSA-N 0 0 337.404 4.597 50 0 EJAARN O=C(Oc1ccc2ccccc2c1Br)N1CCCCCC1 ZINC000004522636 563918899 /nfs/dbraw/zinc/91/88/99/563918899.db2.gz ATJBOBIRZRRFER-UHFFFAOYSA-N 0 0 348.240 4.977 50 0 EJAARN Cc1ccc(S(=O)(=O)[C@H]2c3ccccc3N=C2c2ccccc2)cc1 ZINC000005009737 563919184 /nfs/dbraw/zinc/91/91/84/563919184.db2.gz SLVIAVIKIFHJFC-NRFANRHFSA-N 0 0 347.439 4.644 50 0 EJAARN CCOC(=O)/C=C/c1ccc(-c2ccc(Br)cc2)cc1 ZINC000039005823 563922452 /nfs/dbraw/zinc/92/24/52/563922452.db2.gz IKSZMNAOKDIORP-LFYBBSHMSA-N 0 0 331.209 4.692 50 0 EJAARN CC(=O)Nc1ccc([C@@H]2O[C@H]3CCCC[C@H]3c3sccc32)cc1 ZINC000041107743 563924336 /nfs/dbraw/zinc/92/43/36/563924336.db2.gz PZBHSMRWTXJCIK-NJAFHUGGSA-N 0 0 327.449 4.852 50 0 EJAARN O=C(Nc1ccc(Oc2ccc3c(c2)OCO3)cc1)Oc1ccccc1 ZINC000041107702 563924350 /nfs/dbraw/zinc/92/43/50/563924350.db2.gz OGCXRMWKDMOXJI-UHFFFAOYSA-N 0 0 349.342 4.819 50 0 EJAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc(C)nc1C ZINC000119337970 563925240 /nfs/dbraw/zinc/92/52/40/563925240.db2.gz SPRBOWZSQOVYHL-UHFFFAOYSA-N 0 0 341.411 4.522 50 0 EJAARN COc1cccc([C@H]2CCCN2C(=O)Nc2ccccc2SC)c1 ZINC000043318752 563925628 /nfs/dbraw/zinc/92/56/28/563925628.db2.gz XAMRAHZDVBGASF-QGZVFWFLSA-N 0 0 342.464 4.786 50 0 EJAARN C[C@H](CCC(C)(C)C(=O)OC[C@@H]1CO1)c1c(Cl)cccc1Cl ZINC000043681897 563925907 /nfs/dbraw/zinc/92/59/07/563925907.db2.gz VALBCASDXQVOLS-NEPJUHHUSA-N 0 0 345.266 4.845 50 0 EJAARN CCCCOc1ccc(NC(=S)Nc2ccc(C(C)=O)cc2)cc1 ZINC000071766959 563929583 /nfs/dbraw/zinc/92/95/83/563929583.db2.gz REPUZYQSYUNBIQ-UHFFFAOYSA-N 0 0 342.464 4.877 50 0 EJAARN O=C(Nc1cccc(C[NH+]2CCCCC2)c1)N1CC[C@H]1c1ccccc1 ZINC000047852311 563929817 /nfs/dbraw/zinc/92/98/17/563929817.db2.gz HHLCHWCEVUYATN-NRFANRHFSA-N 0 0 349.478 4.651 50 0 EJAARN Cc1ccc(Cl)cc1NC(=S)N1CC[C@@H](c2ccccc2)C1 ZINC000013543292 563929852 /nfs/dbraw/zinc/92/98/52/563929852.db2.gz IVKKTHHOCWGGHX-OAHLLOKOSA-N 0 0 330.884 4.835 50 0 EJAARN Cc1cc(C(=O)NCCC(C)C)c2cccc(-c3ccccc3)c2n1 ZINC000033036673 563932324 /nfs/dbraw/zinc/93/23/24/563932324.db2.gz BIFBLOIAWLAYCA-UHFFFAOYSA-N 0 0 332.447 4.986 50 0 EJAARN CCc1cccc(NC(=S)N2c3ccc(F)cc3CC[C@H]2C)c1 ZINC000072332214 563933361 /nfs/dbraw/zinc/93/33/61/563933361.db2.gz PYLIPUIFSUMZTJ-CYBMUJFWSA-N 0 0 328.456 4.926 50 0 EJAARN CC(C)c1noc([C@@H](C)N2Cc3ccccc3-c3ccccc3C2)n1 ZINC000060361404 563935420 /nfs/dbraw/zinc/93/54/20/563935420.db2.gz WXWXZRROWURZIM-OAHLLOKOSA-N 0 0 333.435 4.937 50 0 EJAARN O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1cc(Cl)ccc1F ZINC000057993649 563936266 /nfs/dbraw/zinc/93/62/66/563936266.db2.gz VATJFYDMIBCYFP-UHFFFAOYSA-N 0 0 347.802 4.580 50 0 EJAARN Cc1cc2[nH]c(C(=O)N(C)Cc3ccc([C@H]4C[C@H]4C)o3)cc2c(C)c1 ZINC000058006581 563936498 /nfs/dbraw/zinc/93/64/98/563936498.db2.gz TVAXNUDGNPOJMF-PBHICJAKSA-N 0 0 336.435 4.773 50 0 EJAARN O=C([C@@H]1CCCc2ccccc21)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000058101909 563937405 /nfs/dbraw/zinc/93/74/05/563937405.db2.gz AJDKPIAOUZKFQR-FGZHOGPDSA-N 0 0 331.459 4.785 50 0 EJAARN O=C([C@@H]1CCCc2ccccc21)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000058101918 563937423 /nfs/dbraw/zinc/93/74/23/563937423.db2.gz AJDKPIAOUZKFQR-YADHBBJMSA-N 0 0 331.459 4.785 50 0 EJAARN Cc1cccc(NC(=O)c2ccnc(OCc3ccccc3)c2)c1C ZINC000058102654 563937446 /nfs/dbraw/zinc/93/74/46/563937446.db2.gz ZWBOTEALIOHPJA-UHFFFAOYSA-N 0 0 332.403 4.530 50 0 EJAARN O=C([C@H]1CCCc2ccccc21)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000058101905 563937472 /nfs/dbraw/zinc/93/74/72/563937472.db2.gz AJDKPIAOUZKFQR-FCHUYYIVSA-N 0 0 331.459 4.785 50 0 EJAARN CC(C)=C[C@H]1[C@H](C(=O)Nc2ccccc2OC(F)(F)F)C1(C)C ZINC000058166914 563938754 /nfs/dbraw/zinc/93/87/54/563938754.db2.gz HNEGKRNQEYRTHI-SMDDNHRTSA-N 0 0 327.346 4.762 50 0 EJAARN CCn1ccc2cc(NC(=O)Nc3cccc4cccnc43)ccc21 ZINC000058212322 563939965 /nfs/dbraw/zinc/93/99/65/563939965.db2.gz SNHFOKOFRJECCQ-UHFFFAOYSA-N 0 0 330.391 4.853 50 0 EJAARN Cc1sc2ncnc(N[C@H](c3ccccc3)[C@@H]3CCCO3)c2c1C ZINC000058217474 563940052 /nfs/dbraw/zinc/94/00/52/563940052.db2.gz YKHPUICBGUCOMG-DOTOQJQBSA-N 0 0 339.464 4.640 50 0 EJAARN Cc1ccc(OCc2nnc(SC/C=C/c3ccccc3)o2)cc1 ZINC000058217962 563940055 /nfs/dbraw/zinc/94/00/55/563940055.db2.gz ITWGZHXNQMIHMY-VMPITWQZSA-N 0 0 338.432 4.763 50 0 EJAARN O=C(Nc1ccc(NC2CCOCC2)cc1)Nc1ccccc1Cl ZINC000058245656 563940801 /nfs/dbraw/zinc/94/08/01/563940801.db2.gz LFKRRMIRKDAWSG-UHFFFAOYSA-N 0 0 345.830 4.575 50 0 EJAARN O=C(Cc1ccc2ccccc2c1)NCC1(c2ccccc2)CCC1 ZINC000011177606 563941852 /nfs/dbraw/zinc/94/18/52/563941852.db2.gz YIFHQRNNBYUVLV-UHFFFAOYSA-N 0 0 329.443 4.620 50 0 EJAARN C[C@H]1c2ccsc2CCN1C(=O)c1c(Cl)c2ccccc2n1C ZINC000058345185 563943229 /nfs/dbraw/zinc/94/32/29/563943229.db2.gz JKKIMGOZXOBEOU-NSHDSACASA-N 0 0 344.867 4.653 50 0 EJAARN Cc1ccccc1N(C(=O)c1ccccn1)c1nc2ccccc2s1 ZINC000058377735 563944214 /nfs/dbraw/zinc/94/42/14/563944214.db2.gz ROEQXGXCJAJNKV-UHFFFAOYSA-N 0 0 345.427 4.978 50 0 EJAARN Cc1cn2nc(NCCC(c3ccccc3)c3ccccc3)sc2n1 ZINC000058380469 563944344 /nfs/dbraw/zinc/94/43/44/563944344.db2.gz KKPXYOFXNGIOGW-UHFFFAOYSA-N 0 0 348.475 4.733 50 0 EJAARN CN(CC1CCCC1)C(=O)c1cc2ccccc2n1Cc1ccccc1 ZINC000058416028 563945414 /nfs/dbraw/zinc/94/54/14/563945414.db2.gz DQKJAWCRABMQGE-UHFFFAOYSA-N 0 0 346.474 4.952 50 0 EJAARN FC(F)(F)c1nc2ccccc2c(NCc2cc3ccccc3[nH]2)n1 ZINC000058544105 563946837 /nfs/dbraw/zinc/94/68/37/563946837.db2.gz QFOUEQALNOFVLR-UHFFFAOYSA-N 0 0 342.324 4.742 50 0 EJAARN CC(C)Oc1ccc(CNC(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000058702414 563947124 /nfs/dbraw/zinc/94/71/24/563947124.db2.gz KFSXPUAFTLGCMN-UHFFFAOYSA-N 0 0 338.234 4.711 50 0 EJAARN O=C(NCc1cc2ccccc2[nH]1)c1sccc1-c1ccccc1 ZINC000058901272 563947337 /nfs/dbraw/zinc/94/73/37/563947337.db2.gz SCEDUYYSYVCXQY-UHFFFAOYSA-N 0 0 332.428 4.826 50 0 EJAARN Cc1ccc([C@@H](C)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000059038181 563947607 /nfs/dbraw/zinc/94/76/07/563947607.db2.gz HATFCELUHLUFQL-CQSZACIVSA-N 0 0 341.842 4.891 50 0 EJAARN C[C@@H](c1ccccc1Cl)N(CC(=O)Nc1ccccc1)C1CC1 ZINC000059334061 563947967 /nfs/dbraw/zinc/94/79/67/563947967.db2.gz MUIJJAQNBWDMNX-AWEZNQCLSA-N 0 0 328.843 4.504 50 0 EJAARN COCc1ccc2c(c1)c1c3n2CCN(Cc2ccccc2)[C@@H]3CCC1 ZINC000060050168 563949518 /nfs/dbraw/zinc/94/95/18/563949518.db2.gz XXNVNCLJWPPPSH-JOCHJYFZSA-N 0 0 346.474 4.681 50 0 EJAARN O=C(NCC1CCCC1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000033054664 563949751 /nfs/dbraw/zinc/94/97/51/563949751.db2.gz QMMYKZLBCLCBHE-UHFFFAOYSA-N 0 0 346.430 4.929 50 0 EJAARN CO[C@@H](C)c1cccc(NC(=O)N(CCC(F)(F)F)C2CCC2)c1 ZINC000096460873 563953980 /nfs/dbraw/zinc/95/39/80/563953980.db2.gz LGRSXJKTDAIWIX-LBPRGKRZSA-N 0 0 344.377 4.733 50 0 EJAARN Cc1coc(-c2ccc(C)c(NC(=O)N3C[C@H]4CCCC[C@@H]4C3)c2)n1 ZINC000096471094 563954577 /nfs/dbraw/zinc/95/45/77/563954577.db2.gz HYUYUXJUGHEQGV-IAGOWNOFSA-N 0 0 339.439 4.612 50 0 EJAARN COc1ccccc1[C@@H](C)N[C@H](c1ccncc1)c1ccc(F)cc1 ZINC000096477234 563955077 /nfs/dbraw/zinc/95/50/77/563955077.db2.gz KQRAZMLBPRLNLZ-VFNWGFHPSA-N 0 0 336.410 4.670 50 0 EJAARN COc1ccccc1[C@@H](C)N[C@@H](c1ccncc1)c1ccc(F)cc1 ZINC000096477237 563955083 /nfs/dbraw/zinc/95/50/83/563955083.db2.gz KQRAZMLBPRLNLZ-QVKFZJNVSA-N 0 0 336.410 4.670 50 0 EJAARN Cc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000064983853 563957277 /nfs/dbraw/zinc/95/72/77/563957277.db2.gz ZTFDMLZODWEQRV-HXUWFJFHSA-N 0 0 343.492 4.609 50 0 EJAARN COc1cccc(NC(=O)N2CCCCC[C@H]2c2cccc(F)c2)c1 ZINC000064984534 563957680 /nfs/dbraw/zinc/95/76/80/563957680.db2.gz DMHUVKXKRIOYLJ-IBGZPJMESA-N 0 0 342.414 4.984 50 0 EJAARN CCCc1cc([C@@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)no1 ZINC000064984587 563957684 /nfs/dbraw/zinc/95/76/84/563957684.db2.gz DGTOGQMGBSXJRP-INIZCTEOSA-N 0 0 333.819 4.650 50 0 EJAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2cc(C(C)C)on2)cc1C ZINC000064984629 563957699 /nfs/dbraw/zinc/95/76/99/563957699.db2.gz AGCGVIDERZASLB-KRWDZBQOSA-N 0 0 327.428 4.784 50 0 EJAARN CCCc1cc([C@H]2CCCN2C(=O)Nc2ccc(C)cc2Cl)no1 ZINC000064984667 563957723 /nfs/dbraw/zinc/95/77/23/563957723.db2.gz GULFKXYZDVFSMW-QGZVFWFLSA-N 0 0 347.846 4.958 50 0 EJAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2cc(C(C)C)no2)cc1C ZINC000064985020 563957890 /nfs/dbraw/zinc/95/78/90/563957890.db2.gz XRKLJKUPPSSVIF-QGZVFWFLSA-N 0 0 327.428 4.784 50 0 EJAARN COc1ccc(-c2c(-c3ccccc3)ncn2Cc2ccon2)c(C)c1 ZINC000065504928 563961704 /nfs/dbraw/zinc/96/17/04/563961704.db2.gz OGYNQELNMYXDHN-UHFFFAOYSA-N 0 0 345.402 4.570 50 0 EJAARN CC(C)c1ccc(NCc2cccnc2Oc2ccccc2F)nn1 ZINC000067774231 563962711 /nfs/dbraw/zinc/96/27/11/563962711.db2.gz SZPGVQNTAJOJKW-UHFFFAOYSA-N 0 0 338.386 4.539 50 0 EJAARN CCn1ccnc1-c1cccc(NC(=O)c2ccc(Cl)s2)c1 ZINC000157107188 563963214 /nfs/dbraw/zinc/96/32/14/563963214.db2.gz GZRIWSXWCIDHOP-UHFFFAOYSA-N 0 0 331.828 4.537 50 0 EJAARN CCCCC(=O)Nc1ccc2nc(N3CCCCC3)cc(C)c2c1 ZINC000033084557 563963450 /nfs/dbraw/zinc/96/34/50/563963450.db2.gz RIPUERYPSYTAHP-UHFFFAOYSA-N 0 0 325.456 4.662 50 0 EJAARN CCCNC(=O)Cc1c2ccccc2[nH]c1Sc1cccc(F)c1 ZINC000033116329 563963574 /nfs/dbraw/zinc/96/35/74/563963574.db2.gz GSSCKYBMTNZKAF-UHFFFAOYSA-N 0 0 342.439 4.527 50 0 EJAARN O=C(CSCc1ccccc1)Nc1nc(-c2ccccc2)cs1 ZINC000004672882 563963638 /nfs/dbraw/zinc/96/36/38/563963638.db2.gz XGSYGSDDPYBJIQ-UHFFFAOYSA-N 0 0 340.473 4.682 50 0 EJAARN COc1cccc(-c2cn3cc(-c4ccc(Cl)cc4)nc3n2C)c1 ZINC000004678487 563963869 /nfs/dbraw/zinc/96/38/69/563963869.db2.gz LDJSBZUYQGMWRA-UHFFFAOYSA-N 0 0 337.810 4.669 50 0 EJAARN O[C@H](COC[C@@H]1CC=CCC1)Cn1c2ccccc2c2ccccc21 ZINC000000036214 563964109 /nfs/dbraw/zinc/96/41/09/563964109.db2.gz JCAQBGZQFFLPRA-MSOLQXFVSA-N 0 0 335.447 4.528 50 0 EJAARN Cc1c2cc(CNc3ccc(C)nn3)ccc2[nH]c1-c1ccc(F)cc1 ZINC000071757140 563965291 /nfs/dbraw/zinc/96/52/91/563965291.db2.gz DMQOVIVKUZEAGB-UHFFFAOYSA-N 0 0 346.409 4.993 50 0 EJAARN CC(C)(C)n1ccc(C(=O)N2CCC[C@@H](CCc3ccccc3)C2)c1 ZINC000071759482 563965333 /nfs/dbraw/zinc/96/53/33/563965333.db2.gz KHXCJWZSFPNABW-IBGZPJMESA-N 0 0 338.495 4.728 50 0 EJAARN COc1cc(/C=C(\C)[N+](=O)[O-])ccc1OCc1ccccc1Cl ZINC000033247326 563965943 /nfs/dbraw/zinc/96/59/43/563965943.db2.gz FYIWPEZHWMFQFF-FMIVXFBMSA-N 0 0 333.771 4.565 50 0 EJAARN CCc1nc(-c2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)no1 ZINC000033254222 563966107 /nfs/dbraw/zinc/96/61/07/563966107.db2.gz BYNXFZGGYQQDGK-UHFFFAOYSA-N 0 0 341.798 4.513 50 0 EJAARN Cc1cc(C)c2nc(C)cc(C(=O)NCc3ccccc3Cl)c2c1 ZINC000033252850 563966112 /nfs/dbraw/zinc/96/61/12/563966112.db2.gz PHAVVVFKFYHAHO-UHFFFAOYSA-N 0 0 338.838 4.743 50 0 EJAARN Cc1ccc(-c2nc3c(s2)CN(C(=O)c2cccc(C)c2)CC3)cc1 ZINC000033255887 563966144 /nfs/dbraw/zinc/96/61/44/563966144.db2.gz JGAFIWIPGJVYSD-UHFFFAOYSA-N 0 0 348.471 4.625 50 0 EJAARN Cc1nc(-c2cccc(NC(=O)Nc3cccc4c3CCCC4)c2)no1 ZINC000033257608 563966212 /nfs/dbraw/zinc/96/62/12/563966212.db2.gz BGVBUXBAORZYFE-UHFFFAOYSA-N 0 0 348.406 4.568 50 0 EJAARN CC[C@H](Nc1ccc2c(c1)CC(=O)N2)c1ccc(Br)cc1 ZINC000097014934 563966682 /nfs/dbraw/zinc/96/66/82/563966682.db2.gz HWEHKYQOJQONKP-HNNXBMFYSA-N 0 0 345.240 4.507 50 0 EJAARN Fc1ccc(Nc2ccccc2NCc2nnc(C3CC3)o2)c(F)c1 ZINC000097048101 563967061 /nfs/dbraw/zinc/96/70/61/563967061.db2.gz UOYQNYUROPUVQG-UHFFFAOYSA-N 0 0 342.349 4.581 50 0 EJAARN CCOc1ccc(NC(=O)C[C@H](C)Cc2cc(C)cc(C)c2)cc1 ZINC000000035494 563968031 /nfs/dbraw/zinc/96/80/31/563968031.db2.gz SOTXQAFVNRHFML-QGZVFWFLSA-N 0 0 325.452 4.910 50 0 EJAARN Clc1ccccc1-c1ccc(Cn2ccnc2-c2cccnc2)o1 ZINC000077358666 563969175 /nfs/dbraw/zinc/96/91/75/563969175.db2.gz BIUCEAQNFDPJKE-UHFFFAOYSA-N 0 0 335.794 4.907 50 0 EJAARN Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)c3coc4ccccc34)nc2c1 ZINC000077564231 563970318 /nfs/dbraw/zinc/97/03/18/563970318.db2.gz KTZZBRNMQKQKRA-SFHVURJKSA-N 0 0 345.402 4.595 50 0 EJAARN CCn1ccc2ccc(CN3CCC[C@H]3c3nc(C(C)C)no3)cc21 ZINC000077566422 563970366 /nfs/dbraw/zinc/97/03/66/563970366.db2.gz HTMZAANFDWISAU-KRWDZBQOSA-N 0 0 338.455 4.505 50 0 EJAARN CCOC(=O)c1c(C)[nH]c(-c2csc(-c3ccccc3)n2)c1C ZINC000000063778 563971644 /nfs/dbraw/zinc/97/16/44/563971644.db2.gz WOJWASBHBOQWLC-UHFFFAOYSA-N 0 0 326.421 4.599 50 0 EJAARN COc1ccccc1[C@H]1Nc2ccc(Cl)cc2[C@H]2OCCC[C@@H]12 ZINC000033271097 563971769 /nfs/dbraw/zinc/97/17/69/563971769.db2.gz ZTKNUNAHEXHPEO-KYNGSXCRSA-N 0 0 329.827 4.983 50 0 EJAARN Cc1ccc(C)c(NC(=S)Nc2cccc(Br)c2)c1 ZINC000008104046 563971976 /nfs/dbraw/zinc/97/19/76/563971976.db2.gz CBBIUCZIESDQFF-UHFFFAOYSA-N 0 0 335.270 4.875 50 0 EJAARN CCn1ncc(/C=C\C(=O)Nc2ccc(Oc3ccccc3)cc2)c1C ZINC000033291216 563973015 /nfs/dbraw/zinc/97/30/15/563973015.db2.gz SFXZZXUCLVRQQA-ZROIWOOFSA-N 0 0 347.418 4.656 50 0 EJAARN CC(=O)c1cccc(NC(=O)C=Cc2c(Cl)cccc2Cl)c1 ZINC000033289645 563973059 /nfs/dbraw/zinc/97/30/59/563973059.db2.gz LFOMTLITDFZUTI-HJWRWDBZSA-N 0 0 334.202 4.848 50 0 EJAARN Cc1cc(OCc2cccc(Cl)c2)c2c3c(c(=O)oc2c1)CCC3 ZINC000004746071 563973076 /nfs/dbraw/zinc/97/30/76/563973076.db2.gz DWTHRNFMUYOVTI-UHFFFAOYSA-N 0 0 340.806 4.823 50 0 EJAARN CCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)cc1 ZINC000033292581 563973112 /nfs/dbraw/zinc/97/31/12/563973112.db2.gz VOQGAGKSEDAWQQ-UHFFFAOYSA-N 0 0 335.407 4.557 50 0 EJAARN COc1ccc(NC(=O)[C@H](Sc2ccc(F)cc2)C(C)C)cc1 ZINC000011321742 563973443 /nfs/dbraw/zinc/97/34/43/563973443.db2.gz OTDKHYLROKJRCD-QGZVFWFLSA-N 0 0 333.428 4.590 50 0 EJAARN CC(=O)c1cccc(NC(=O)C=Cc2ccc(Cl)cc2Cl)c1 ZINC000033315413 563973622 /nfs/dbraw/zinc/97/36/22/563973622.db2.gz NXHVYTUYRAEIHT-VURMDHGXSA-N 0 0 334.202 4.848 50 0 EJAARN CCC[C@H](O)c1nc2ccccc2n1CCOc1cc(C)cc(C)c1 ZINC000033317738 563973653 /nfs/dbraw/zinc/97/36/53/563973653.db2.gz GIHIGCYBERPHIU-FQEVSTJZSA-N 0 0 338.451 4.566 50 0 EJAARN CCC[C@@H](O)c1nc2ccccc2n1CCOc1cc(C)ccc1C ZINC000033317730 563973692 /nfs/dbraw/zinc/97/36/92/563973692.db2.gz WTBSHCXVRLRMEW-LJQANCHMSA-N 0 0 338.451 4.566 50 0 EJAARN FC(F)Oc1ccc(COc2ccc(Br)cc2)cc1 ZINC000086005588 563974034 /nfs/dbraw/zinc/97/40/34/563974034.db2.gz HBWCYVXARHOQKC-UHFFFAOYSA-N 0 0 329.140 4.630 50 0 EJAARN Cc1nc(-c2cc3cc(C)ccc3nc2NCc2cccc(C)c2)no1 ZINC000033331374 563974456 /nfs/dbraw/zinc/97/44/56/563974456.db2.gz HOXXDLFIZFVIKN-UHFFFAOYSA-N 0 0 344.418 4.822 50 0 EJAARN Cc1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1C ZINC000000084111 563975029 /nfs/dbraw/zinc/97/50/29/563975029.db2.gz UMRLQYPEOXHHNW-UHFFFAOYSA-N 0 0 326.399 4.670 50 0 EJAARN COc1cccc([C@@H]2CCN2C(=O)c2[nH]c3c(c2C)c(C)ccc3C)c1 ZINC000091892994 563975833 /nfs/dbraw/zinc/97/58/33/563975833.db2.gz HPMCFJSDHNFOTH-SFHVURJKSA-N 0 0 348.446 4.689 50 0 EJAARN Cc1sc2ncnc(Oc3ccccc3Br)c2c1C ZINC000000087740 563976235 /nfs/dbraw/zinc/97/62/35/563976235.db2.gz PAIYCFBMTZJLIQ-UHFFFAOYSA-N 0 0 335.226 4.863 50 0 EJAARN O=C(CSc1ccccc1Cl)N1CCSc2ccccc21 ZINC000011481349 563976402 /nfs/dbraw/zinc/97/64/02/563976402.db2.gz VUAPWCDVCVLTCS-UHFFFAOYSA-N 0 0 335.881 4.571 50 0 EJAARN Cc1noc(C)c1CSc1nc(C)nc2sc3c(c21)CCCC3 ZINC000000090005 563976446 /nfs/dbraw/zinc/97/64/46/563976446.db2.gz IPFOWQKYVIMQJK-UHFFFAOYSA-N 0 0 345.493 4.776 50 0 EJAARN COc1ccc(-c2nc3sc(-c4ccccc4)cc3c(=O)o2)cc1 ZINC000000090193 563976503 /nfs/dbraw/zinc/97/65/03/563976503.db2.gz ZUUSTUSLPZXHAN-UHFFFAOYSA-N 0 0 335.384 4.592 50 0 EJAARN Cc1cc(N)n(-c2ncnc3scc(-c4ccc(C(C)C)cc4)c32)n1 ZINC000000090140 563976536 /nfs/dbraw/zinc/97/65/36/563976536.db2.gz DBWYTAXMSPQBGX-UHFFFAOYSA-N 0 0 349.463 4.558 50 0 EJAARN CCCCn1ccnc1C1CCN(c2ccc3ccccc3n2)CC1 ZINC000095500809 563977056 /nfs/dbraw/zinc/97/70/56/563977056.db2.gz PIUVFMTUFMUYNM-UHFFFAOYSA-N 0 0 334.467 4.615 50 0 EJAARN C[C@@H](c1ccon1)N(C)C(=O)Nc1ccc(C2CCCCC2)cc1 ZINC000096166970 563979974 /nfs/dbraw/zinc/97/99/74/563979974.db2.gz BOCJEOOVZPTOGM-AWEZNQCLSA-N 0 0 327.428 4.947 50 0 EJAARN O=C(NCc1ccccc1F)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000096171207 563979989 /nfs/dbraw/zinc/97/99/89/563979989.db2.gz ZHQOFDDEXCIARL-UHFFFAOYSA-N 0 0 346.711 4.820 50 0 EJAARN Cc1ccc(F)c(NC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000096170871 563980023 /nfs/dbraw/zinc/98/00/23/563980023.db2.gz ATBGGITYAXNBDV-UHFFFAOYSA-N 0 0 328.265 4.677 50 0 EJAARN CCOC(=O)c1cnc2c(C)cc(C)cc2c1N(C)Cc1ccccc1 ZINC000000097630 563980790 /nfs/dbraw/zinc/98/07/90/563980790.db2.gz KNDXPJAXXIUULF-UHFFFAOYSA-N 0 0 348.446 4.665 50 0 EJAARN Cc1ccc(NC(=O)NCCc2cccc3cccnc32)cc1Cl ZINC000011563329 563980806 /nfs/dbraw/zinc/98/08/06/563980806.db2.gz WRIOHAHZXHPXJI-UHFFFAOYSA-N 0 0 339.826 4.561 50 0 EJAARN Oc1cccc(NC(=S)Nc2ccc(SC(F)F)cc2)c1 ZINC000008687858 563981110 /nfs/dbraw/zinc/98/11/10/563981110.db2.gz NYSYECYLTXHVHE-UHFFFAOYSA-N 0 0 326.393 4.516 50 0 EJAARN Cc1ccc(NC(=O)CNc2ccccc2-c2ccccc2)c(F)c1 ZINC000011619040 563981348 /nfs/dbraw/zinc/98/13/48/563981348.db2.gz VHBZNTLWLKZEBZ-UHFFFAOYSA-N 0 0 334.394 4.852 50 0 EJAARN Cc1ccc(Nc2nc(Cl)nc(Nc3ccccc3)n2)c(C)c1 ZINC000006275882 563981449 /nfs/dbraw/zinc/98/14/49/563981449.db2.gz ZZRLHYMAVDDURA-UHFFFAOYSA-N 0 0 325.803 4.629 50 0 EJAARN Fc1ccc(-c2cn3nc(-c4ccccc4)n4c3c2CCCC4)cc1 ZINC000000099479 563981653 /nfs/dbraw/zinc/98/16/53/563981653.db2.gz WRKGODAXVHPNDB-UHFFFAOYSA-N 0 0 331.394 4.945 50 0 EJAARN O=C(Nc1c(Cl)cc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000071767025 563983075 /nfs/dbraw/zinc/98/30/75/563983075.db2.gz YIQRIFVBNHMJCA-UHFFFAOYSA-N 0 0 341.836 4.956 50 0 EJAARN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccccc1 ZINC000014257890 563983797 /nfs/dbraw/zinc/98/37/97/563983797.db2.gz RYIQCWQVGFNISA-UHFFFAOYSA-N 0 0 327.387 4.791 50 0 EJAARN Cc1ccc(-c2ccc(C(=O)N(C)Cc3cccs3)c(C)n2)cc1 ZINC000257173564 563984246 /nfs/dbraw/zinc/98/42/46/563984246.db2.gz QVIMHQAJIQGVLO-UHFFFAOYSA-N 0 0 336.460 4.699 50 0 EJAARN COc1cccc(COC(=O)CSc2ccc3ccccc3c2)c1 ZINC000014674486 563986369 /nfs/dbraw/zinc/98/63/69/563986369.db2.gz XKIWBSSCCUIJCO-UHFFFAOYSA-N 0 0 338.428 4.684 50 0 EJAARN O=C1C[C@H](c2ccc(Cl)c(Cl)c2)c2cc3c(cc2N1)CCC3 ZINC000000104580 563986405 /nfs/dbraw/zinc/98/64/05/563986405.db2.gz QWBFZWVEOLRQMX-CYBMUJFWSA-N 0 0 332.230 4.956 50 0 EJAARN O=C1c2cccc3cccc(c32)C(=O)N1c1ccc2c3c(cccc31)CC2 ZINC000000111271 563986666 /nfs/dbraw/zinc/98/66/66/563986666.db2.gz XPTJTXGDAYKTLZ-UHFFFAOYSA-N 0 0 349.389 4.892 50 0 EJAARN O=C(Nc1ccccc1)c1ccc(COc2ccccc2Cl)o1 ZINC000000115586 563986695 /nfs/dbraw/zinc/98/66/95/563986695.db2.gz MHJPLELLNYZWSZ-UHFFFAOYSA-N 0 0 327.767 4.764 50 0 EJAARN Cc1cc(C)c(NC(=O)COc2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000000121223 563986758 /nfs/dbraw/zinc/98/67/58/563986758.db2.gz ITVRMNHIWRBUBW-UHFFFAOYSA-N 0 0 325.452 4.927 50 0 EJAARN O=C(c1cccc2ccccc21)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000000135227 563987006 /nfs/dbraw/zinc/98/70/06/563987006.db2.gz WSZUGTWOLPBDQI-UHFFFAOYSA-N 0 0 344.389 4.659 50 0 EJAARN CC(=O)c1ccc(OC(=O)C=Cc2c(Cl)cccc2Cl)cc1 ZINC000000147141 563987155 /nfs/dbraw/zinc/98/71/55/563987155.db2.gz DCFRAUOOLKTDOV-MDZDMXLPSA-N 0 0 335.186 4.815 50 0 EJAARN O=C(Oc1cccc(Nc2ncnc3ccccc32)c1)c1cccs1 ZINC000000144165 563987190 /nfs/dbraw/zinc/98/71/90/563987190.db2.gz DJGZEJHCLVHBOA-UHFFFAOYSA-N 0 0 347.399 4.654 50 0 EJAARN COc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000000151970 563987416 /nfs/dbraw/zinc/98/74/16/563987416.db2.gz ZCHDTHLQGLTWKM-UHFFFAOYSA-N 0 0 344.823 4.724 50 0 EJAARN Cc1ccc(N(C(=O)Nc2ccccc2)C2=NC[C@H](C)S2)cc1 ZINC000000161702 563987480 /nfs/dbraw/zinc/98/74/80/563987480.db2.gz LNSBBWVXFHWVKN-AWEZNQCLSA-N 0 0 325.437 4.525 50 0 EJAARN Cc1ccccc1C1=N/C(=C\c2cccc(Cl)c2Cl)C(=O)O1 ZINC000000178001 563987742 /nfs/dbraw/zinc/98/77/42/563987742.db2.gz HOMIECRRSWIZNT-ZROIWOOFSA-N 0 0 332.186 4.646 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50 0 EJAARN Cc1ccccc1[C@@H](C)NC(=O)c1cc(F)c(Cl)cc1Cl ZINC000017365720 564011826 /nfs/dbraw/zinc/01/18/26/564011826.db2.gz AYTUGNLQIZMIBN-SNVBAGLBSA-N 0 0 326.198 4.932 50 0 EJAARN Cc1ccc(NC(=O)c2sc3nc4ccccc4cc3c2N)cc1 ZINC000000384003 564012414 /nfs/dbraw/zinc/01/24/14/564012414.db2.gz DNLMABHUVDNCFP-UHFFFAOYSA-N 0 0 333.416 4.592 50 0 EJAARN CCCOC(=O)c1ccc(NC(=O)c2csc3ccccc23)cc1 ZINC000002103274 564013257 /nfs/dbraw/zinc/01/32/57/564013257.db2.gz GVIFPUMWNHDBSU-UHFFFAOYSA-N 0 0 339.416 4.720 50 0 EJAARN c1c(-c2ccccc2)nn2c1nccc2-c1nc2ccccc2s1 ZINC000000481531 564016467 /nfs/dbraw/zinc/01/64/67/564016467.db2.gz XFPZVJRCPZTETE-UHFFFAOYSA-N 0 0 328.400 4.673 50 0 EJAARN COc1cc2c(cc1OC)[C@@H]1CCCC[C@@H]1O[C@@H]2c1ccc(F)cc1 ZINC000169678484 564017168 /nfs/dbraw/zinc/01/71/68/564017168.db2.gz YCLLGORVUPSCES-UQASEVPWSA-N 0 0 342.410 4.989 50 0 EJAARN COc1ccc(NC(=O)C[C@@H](C(C)C)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000000491178 564017617 /nfs/dbraw/zinc/01/76/17/564017617.db2.gz HKQAZWUSSIHYBS-QAPCUYQASA-N 0 0 333.472 4.501 50 0 biogenic EJAARN Cc1c2cccc(Cl)c2oc1C(=O)N(C)CCOc1ccccc1 ZINC000018072701 564017884 /nfs/dbraw/zinc/01/78/84/564017884.db2.gz VOIIZJLIIAFKAP-UHFFFAOYSA-N 0 0 343.810 4.546 50 0 EJAARN COc1nc(-c2ccccc2)ccc1-c1noc(-c2ccccc2F)n1 ZINC000000498658 564018255 /nfs/dbraw/zinc/01/82/55/564018255.db2.gz QJACGJYHYRJJBM-UHFFFAOYSA-N 0 0 347.349 4.613 50 0 EJAARN COc1ccc([C@H]2CCCN2C(=O)Nc2cccc(Cl)c2)cc1 ZINC000018175826 564018534 /nfs/dbraw/zinc/01/85/34/564018534.db2.gz BUPVXYDWKRDUTE-QGZVFWFLSA-N 0 0 330.815 4.718 50 0 EJAARN CCOc1cc2c(cc1/C=C/c1ccc3cccc(O)c3n1)O[C@@H](C)C2 ZINC000012549219 564018606 /nfs/dbraw/zinc/01/86/06/564018606.db2.gz WYEUIHYRRUSHTG-PLWJUESGSA-N 0 0 347.414 4.833 50 0 EJAARN CSc1cccc(N[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)c1 ZINC000005689604 564018902 /nfs/dbraw/zinc/01/89/02/564018902.db2.gz XFUUUSJNNFXPLS-JTQLQIEISA-N 0 0 338.835 4.640 50 0 EJAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc(C)cc2)cs1 ZINC000018235528 564018947 /nfs/dbraw/zinc/01/89/47/564018947.db2.gz YHYKINIKPQIANJ-UHFFFAOYSA-N 0 0 334.444 4.630 50 0 EJAARN Cc1cc(C(F)(F)F)n2nc(-c3sccc3-n3cccc3)cc2n1 ZINC000005697926 564019279 /nfs/dbraw/zinc/01/92/79/564019279.db2.gz WIUITDRRMMWTAN-UHFFFAOYSA-N 0 0 348.353 4.576 50 0 EJAARN Fc1ccc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)cc1 ZINC000000509988 564019944 /nfs/dbraw/zinc/01/99/44/564019944.db2.gz MXTYYTLZHIQKPB-UHFFFAOYSA-N 0 0 340.361 4.775 50 0 EJAARN Fc1ccc(-n2c(-c3cccs3)nc3nc4ccccc4nc32)cc1 ZINC000000510365 564020071 /nfs/dbraw/zinc/02/00/71/564020071.db2.gz IYFONSIQLKIAMP-UHFFFAOYSA-N 0 0 346.390 4.836 50 0 EJAARN COc1ccc(/C=C/C(=O)Nc2ccccc2C(C)(C)C)cc1OC ZINC000000514678 564020434 /nfs/dbraw/zinc/02/04/34/564020434.db2.gz SUVBXDJKGYZETJ-ACCUITESSA-N 0 0 339.435 4.653 50 0 EJAARN C[C@@H]1CCc2c(C(=O)Nc3nc4ccccc4s3)csc2C1 ZINC000000539098 564022317 /nfs/dbraw/zinc/02/23/17/564022317.db2.gz WKDZWCKZAMBSOJ-SNVBAGLBSA-N 0 0 328.462 4.735 50 0 EJAARN COc1cccc([C@]2(C)Nc3ccccc3-c3nc4ccccc4n32)c1 ZINC000000543613 564022540 /nfs/dbraw/zinc/02/25/40/564022540.db2.gz GOFKBYMLZNXKGI-JOCHJYFZSA-N 0 0 341.414 4.858 50 0 EJAARN Cc1ccc(-n2ncc3c2ncnc3NC2CCCCCC2)c(C)c1 ZINC000000544597 564022625 /nfs/dbraw/zinc/02/26/25/564022625.db2.gz HJUMZAJGMPVWCW-UHFFFAOYSA-N 0 0 335.455 4.567 50 0 EJAARN O=C1N2CCCN2[C@@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000000547610 564022813 /nfs/dbraw/zinc/02/28/13/564022813.db2.gz UZCHRESNJPUUIR-MRXNPFEDSA-N 0 0 348.233 4.555 50 0 EJAARN O=C1N2CCCN2[C@@H](c2ccc(F)cc2)N1c1cccc2ccccc21 ZINC000000550510 564022898 /nfs/dbraw/zinc/02/28/98/564022898.db2.gz STOSUHLPHVQXGC-HXUWFJFHSA-N 0 0 347.393 4.540 50 0 EJAARN CC(C)(C)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000000549793 564022937 /nfs/dbraw/zinc/02/29/37/564022937.db2.gz QRJLZVDWLBECPU-OAHLLOKOSA-N 0 0 330.815 4.657 50 0 EJAARN CN(Cc1ccccc1F)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000024535468 564023093 /nfs/dbraw/zinc/02/30/93/564023093.db2.gz KNZNAHPUDWWQQJ-UHFFFAOYSA-N 0 0 327.186 4.796 50 0 EJAARN Clc1ccccc1-n1c(-c2ccco2)nc2nc3ccccc3nc21 ZINC000000553532 564023097 /nfs/dbraw/zinc/02/30/97/564023097.db2.gz RUXISBCXBLTYQF-UHFFFAOYSA-N 0 0 346.777 4.882 50 0 EJAARN CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000017112753 564023125 /nfs/dbraw/zinc/02/31/25/564023125.db2.gz ILCTUFVQFCIIDS-XRIPXXCGSA-N 0 0 332.484 4.530 50 0 EJAARN CCC(=O)c1cn(CC(=O)Nc2ccccc2Cl)c2ccccc12 ZINC000000560777 564023272 /nfs/dbraw/zinc/02/32/72/564023272.db2.gz HLUWQMJKTDWNMW-UHFFFAOYSA-N 0 0 340.810 4.526 50 0 EJAARN COc1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)c(OC)c1 ZINC000000561706 564023281 /nfs/dbraw/zinc/02/32/81/564023281.db2.gz LKIFLWKLOKZSQE-UHFFFAOYSA-N 0 0 345.483 4.811 50 0 EJAARN COc1ccc(C(=O)Nc2nc3c(ccc4ccccc34)s2)cc1 ZINC000000567783 564023404 /nfs/dbraw/zinc/02/34/04/564023404.db2.gz LGFROTWCOXJACX-UHFFFAOYSA-N 0 0 334.400 4.710 50 0 EJAARN CCOc1cccc2sc(NC(=O)c3cccc(Cl)c3)nc21 ZINC000000567745 564023422 /nfs/dbraw/zinc/02/34/22/564023422.db2.gz ZUDVCAGVOKOSBA-UHFFFAOYSA-N 0 0 332.812 4.601 50 0 EJAARN COc1ccc(-c2nc3ccccc3c(N3CCC[C@H](C)C3)n2)cc1 ZINC000005748546 564024990 /nfs/dbraw/zinc/02/49/90/564024990.db2.gz WQJICBFJIWOZSB-HNNXBMFYSA-N 0 0 333.435 4.542 50 0 EJAARN Cc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(Br)c1 ZINC000005750280 564025110 /nfs/dbraw/zinc/02/51/10/564025110.db2.gz SJDZXNXTRVMOSL-UHFFFAOYSA-N 0 0 348.284 4.912 50 0 EJAARN O=c1nc(CSCc2cccc3ccccc32)[n-]c2ccsc21 ZINC000046806597 564025400 /nfs/dbraw/zinc/02/54/00/564025400.db2.gz PJGLXVDJKWFRJU-UHFFFAOYSA-N 0 0 338.457 4.571 50 0 EJAARN COC(=O)c1c(Nc2ccc(F)cc2)onc1-c1cccc(Cl)c1 ZINC000046914637 564025596 /nfs/dbraw/zinc/02/55/96/564025596.db2.gz PTOKPIAJWWXULH-UHFFFAOYSA-N 0 0 346.745 4.664 50 0 EJAARN CCc1ccc(NC(=O)/C=C/c2ccc(OC(F)F)c(OC)c2)cc1 ZINC000002655232 564025939 /nfs/dbraw/zinc/02/59/39/564025939.db2.gz ALGGDCCBILTXQJ-YRNVUSSQSA-N 0 0 347.361 4.511 50 0 EJAARN Cc1cccc(-c2nc3ccccc3c(=O)n2-c2ccccc2C)c1 ZINC000044928721 564027761 /nfs/dbraw/zinc/02/77/61/564027761.db2.gz IMMXHYWCTOLUJE-UHFFFAOYSA-N 0 0 326.399 4.670 50 0 EJAARN CSc1cccc(NC(=O)Nc2cccc(Br)c2)c1 ZINC000051354334 564028764 /nfs/dbraw/zinc/02/87/64/564028764.db2.gz APGGUCQFFHMLIA-UHFFFAOYSA-N 0 0 337.242 4.815 50 0 EJAARN Cc1ccc(C)c(Nc2nc3ccccc3nc2C(=O)OCC(C)C)c1 ZINC000045901675 564028835 /nfs/dbraw/zinc/02/88/35/564028835.db2.gz GXZDMALJOCLWMK-UHFFFAOYSA-N 0 0 349.434 4.803 50 0 EJAARN Fc1cccc(CSc2nccn3nc(-c4cccs4)cc23)c1 ZINC000045925294 564028894 /nfs/dbraw/zinc/02/88/94/564028894.db2.gz NNLFJNCAGQIORE-UHFFFAOYSA-N 0 0 341.436 4.889 50 0 EJAARN CC(NC1CCCCCCC1)=C1N=C(c2ccc(Cl)cc2)OC1=O ZINC000109346264 564028931 /nfs/dbraw/zinc/02/89/31/564028931.db2.gz QRAULUXWFRAXIH-GHRIWEEISA-N 0 0 346.858 4.577 50 0 EJAARN O=C(Nc1cccc(OC(F)(F)F)c1)Nc1cc(F)ccc1F ZINC000051354434 564029051 /nfs/dbraw/zinc/02/90/51/564029051.db2.gz SMLDSZRCGMSYHK-UHFFFAOYSA-N 0 0 332.228 4.507 50 0 EJAARN O=C(c1cc2c(ccc(Cl)c2Cl)[nH]1)N(Cc1ccco1)C1CC1 ZINC000047927154 564029794 /nfs/dbraw/zinc/02/97/94/564029794.db2.gz XJFKZGRAZKNQQG-UHFFFAOYSA-N 0 0 349.217 4.873 50 0 EJAARN COc1ccccc1-c1cccc(NC(=O)N[C@H](C)c2cccnc2)c1 ZINC000111774716 564030043 /nfs/dbraw/zinc/03/00/43/564030043.db2.gz ILDOYXRTTSASOT-OAHLLOKOSA-N 0 0 347.418 4.640 50 0 EJAARN O=C(COc1ccc2ccccc2c1)Nc1cccc(-c2cnco2)c1 ZINC000048205323 564030075 /nfs/dbraw/zinc/03/00/75/564030075.db2.gz KVGKWWGIIHIZHZ-UHFFFAOYSA-N 0 0 344.370 4.512 50 0 EJAARN Cc1cc([C@H]2CCCN2Cc2csc(Nc3ccccc3)n2)on1 ZINC000048251686 564030438 /nfs/dbraw/zinc/03/04/38/564030438.db2.gz DCUYNJLMPBIEQO-MRXNPFEDSA-N 0 0 340.452 4.520 50 0 EJAARN Cc1cc([C@@H]2CCCN2Cc2csc(Nc3ccccc3)n2)on1 ZINC000048251684 564030459 /nfs/dbraw/zinc/03/04/59/564030459.db2.gz DCUYNJLMPBIEQO-INIZCTEOSA-N 0 0 340.452 4.520 50 0 EJAARN CC(C)(C)c1cc(CCC(=O)Nc2ccc(Cl)cc2Cl)[nH]n1 ZINC000019863969 564030683 /nfs/dbraw/zinc/03/06/83/564030683.db2.gz NANWVELONOCQRB-UHFFFAOYSA-N 0 0 340.254 4.585 50 0 EJAARN O=C1OC(C23CC4CC(CC(C4)C2)C3)=N/C1=C\c1ccccc1Cl ZINC000005869225 564033033 /nfs/dbraw/zinc/03/30/33/564033033.db2.gz DJXMVDRQNLKEAF-IUXPMGMMSA-N 0 0 341.838 4.853 50 0 EJAARN O=C(C[C@@H]1C=CCC1)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000024709380 564033336 /nfs/dbraw/zinc/03/33/36/564033336.db2.gz FAIYFVMRIUTUHO-OPAMFIHVSA-N 0 0 331.415 4.995 50 0 EJAARN Cc1[nH]c2ccc(C(=O)OCc3nc4ccccc4s3)cc2c1C ZINC000006943144 564033851 /nfs/dbraw/zinc/03/38/51/564033851.db2.gz IHQSFHNOEKKMRK-UHFFFAOYSA-N 0 0 336.416 4.751 50 0 EJAARN Cc1ncc(-c2ccc(NC(=O)Cc3c(C)[nH]c4ccccc43)cc2)o1 ZINC000024901812 564034377 /nfs/dbraw/zinc/03/43/77/564034377.db2.gz KXDGUOSYQIYMLO-UHFFFAOYSA-N 0 0 345.402 4.621 50 0 EJAARN O=C(CCc1cccc(Cl)c1)NCCCc1cc2ccccc2o1 ZINC000390828626 564034804 /nfs/dbraw/zinc/03/48/04/564034804.db2.gz BMHYAGKOEGEEJN-UHFFFAOYSA-N 0 0 341.838 4.768 50 0 EJAARN CSc1cccc(C(=O)N2CCCC[C@H]2CSC(C)(C)C)c1 ZINC000390832494 564034977 /nfs/dbraw/zinc/03/49/77/564034977.db2.gz ZSAVPDPFEQULRN-HNNXBMFYSA-N 0 0 337.554 4.935 50 0 EJAARN COc1cccc(/C=C/C(=O)Nc2c(C)cc(C)cc2Cl)c1OC ZINC000008316573 564035333 /nfs/dbraw/zinc/03/53/33/564035333.db2.gz MVEIGPZDIZOUPK-CMDGGOBGSA-N 0 0 345.826 4.626 50 0 EJAARN O=[S@](CCc1ccccc1)Cc1ccccc1Oc1ccccc1 ZINC000220130353 564035846 /nfs/dbraw/zinc/03/58/46/564035846.db2.gz MHZSCYJFQNNHSR-XMMPIXPASA-N 0 0 336.456 4.970 50 0 EJAARN CC(C)(C)C(=O)Nc1ccc(-c2csc(-c3ccncc3)n2)cc1 ZINC000023623472 564036184 /nfs/dbraw/zinc/03/61/84/564036184.db2.gz SMWBVKAFNABSBI-UHFFFAOYSA-N 0 0 337.448 4.857 50 0 EJAARN Cc1cccc2nc(CSc3ccccc3Br)cn21 ZINC000032778952 564036194 /nfs/dbraw/zinc/03/61/94/564036194.db2.gz TXAKFYSRNCXXLQ-UHFFFAOYSA-N 0 0 333.254 4.698 50 0 EJAARN Cc1ccccc1NC(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000033267202 564036582 /nfs/dbraw/zinc/03/65/82/564036582.db2.gz FYSXAQNULWOREG-UHFFFAOYSA-N 0 0 339.398 4.858 50 0 EJAARN COc1ccc(C(=O)C[C@H](c2ccccc2)[C@H]2CCCCC2=O)cc1 ZINC000000432114 564036747 /nfs/dbraw/zinc/03/67/47/564036747.db2.gz AEPJJSIKAPYQBL-WOJBJXKFSA-N 0 0 336.431 4.811 50 0 EJAARN COc1ccc(CSc2nnc(-c3ccc(C)c(C)c3)o2)cc1F ZINC000005779098 564036793 /nfs/dbraw/zinc/03/67/93/564036793.db2.gz FGRIQVRJKAPGRW-UHFFFAOYSA-N 0 0 344.411 4.793 50 0 EJAARN CCCO[C@H]1CCCN(C(=O)c2ccc(-c3cccc(F)c3)cc2)C1 ZINC000222656375 564037321 /nfs/dbraw/zinc/03/73/21/564037321.db2.gz CEBMZIARJQIPGJ-FQEVSTJZSA-N 0 0 341.426 4.524 50 0 EJAARN CC(C)n1ccc2ccc(C(=O)N[C@H](C)c3nc4ccccc4[nH]3)cc21 ZINC000223223500 564039277 /nfs/dbraw/zinc/03/92/77/564039277.db2.gz ULWPZCHWXJZVFJ-CQSZACIVSA-N 0 0 346.434 4.590 50 0 EJAARN CC(C)(C)C[C@H](NC(=O)Cc1c(F)cccc1Cl)c1cccnc1 ZINC000223568871 564040363 /nfs/dbraw/zinc/04/03/63/564040363.db2.gz ARBROZOSVQWWLI-KRWDZBQOSA-N 0 0 348.849 4.710 50 0 EJAARN CCOC(=O)c1sc(Nc2ccc(Cl)cc2Cl)nc1C ZINC000000552254 564043638 /nfs/dbraw/zinc/04/36/38/564043638.db2.gz VLRQPIOQXKNABY-UHFFFAOYSA-N 0 0 331.224 4.679 50 0 EJAARN Cc1ccc(OC(F)F)c(CNc2nnc(C3CCCCC3)o2)c1 ZINC000225553970 564047785 /nfs/dbraw/zinc/04/77/85/564047785.db2.gz YNHHSETZHJKKNX-UHFFFAOYSA-N 0 0 337.370 4.639 50 0 EJAARN CC(C)[C@H](NCc1nnc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000040466363 564048221 /nfs/dbraw/zinc/04/82/21/564048221.db2.gz SHWWQBLVGRQFTH-SFHVURJKSA-N 0 0 341.842 4.877 50 0 EJAARN Cc1ccc(C)c(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)c1 ZINC000040478253 564048550 /nfs/dbraw/zinc/04/85/50/564048550.db2.gz JGRYRGDEVYERGJ-UHFFFAOYSA-N 0 0 325.799 4.599 50 0 EJAARN Cc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000040478281 564048575 /nfs/dbraw/zinc/04/85/75/564048575.db2.gz LESLCQQEFGLUCJ-UHFFFAOYSA-N 0 0 346.217 4.944 50 0 EJAARN CCc1onc(C)c1NC(=O)N1c2ccccc2CC[C@@H]1C(C)C ZINC000225647096 564048967 /nfs/dbraw/zinc/04/89/67/564048967.db2.gz WXSGQVLOXARBTB-OAHLLOKOSA-N 0 0 327.428 4.555 50 0 EJAARN CCc1onc(C)c1NC(=O)N1c2ccccc2CC[C@H]1C(C)C ZINC000225647076 564048973 /nfs/dbraw/zinc/04/89/73/564048973.db2.gz WXSGQVLOXARBTB-HNNXBMFYSA-N 0 0 327.428 4.555 50 0 EJAARN Cc1[nH]c2ccc(C(=O)N(C)Cc3ccc(Cl)cc3)cc2c1C ZINC000030844529 564049843 /nfs/dbraw/zinc/04/98/43/564049843.db2.gz WKXDXEGZGVXHRW-UHFFFAOYSA-N 0 0 326.827 4.710 50 0 EJAARN CCCc1cc(=O)oc2c(C)c(OC(=O)C3CCCCC3)ccc12 ZINC000000858875 564051038 /nfs/dbraw/zinc/05/10/38/564051038.db2.gz MVELUOGASWHXLX-UHFFFAOYSA-N 0 0 328.408 4.540 50 0 EJAARN Cc1ccc(C(=O)CN(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000063598674 564051067 /nfs/dbraw/zinc/05/10/67/564051067.db2.gz MTOCNFXSNMRTRH-UHFFFAOYSA-N 0 0 329.443 4.880 50 0 EJAARN Cc1nc([C@H]2CCCN2C(=O)Nc2nc(C3CCC3)cs2)cs1 ZINC000239591430 564051663 /nfs/dbraw/zinc/05/16/63/564051663.db2.gz BBJJWHCKYMKHLX-CQSZACIVSA-N 0 0 348.497 4.545 50 0 EJAARN Cc1nc(C(F)(F)F)c(CN2CC(C)(C)[C@@H]2c2cccs2)s1 ZINC000241139449 564051870 /nfs/dbraw/zinc/05/18/70/564051870.db2.gz JQZZMPLYMIKOFY-ZDUSSCGKSA-N 0 0 346.443 5.115 50 0 EJAARN Cc1cc2c(s1)[C@@H]1CCCC[C@H]1O[C@H]2c1ccc2c(c1)OCO2 ZINC000245377367 564052396 /nfs/dbraw/zinc/05/23/96/564052396.db2.gz KCUMDOBAIIFHQY-SIIHOXLZSA-N 0 0 328.433 4.931 50 0 EJAARN CC(=O)Nc1ccc([C@@H]2O[C@@H]3CCCC[C@H]3c3sccc32)cc1 ZINC000253388903 564053619 /nfs/dbraw/zinc/05/36/19/564053619.db2.gz PZBHSMRWTXJCIK-NXHRZFHOSA-N 0 0 327.449 4.852 50 0 EJAARN C[C@H]1CCc2nc(NC(=O)c3occc3-c3ccccc3)sc2C1 ZINC000025280192 564053984 /nfs/dbraw/zinc/05/39/84/564053984.db2.gz JBFRACXQDWWNTE-LBPRGKRZSA-N 0 0 338.432 4.780 50 0 EJAARN COc1cc2nc(-c3ccccc3)c(-c3ccccc3)nc2cc1OC ZINC000001019773 564054068 /nfs/dbraw/zinc/05/40/68/564054068.db2.gz JJQCPAHABVYWCE-UHFFFAOYSA-N 0 0 342.398 4.981 50 0 EJAARN Cc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1 ZINC000001061362 564054292 /nfs/dbraw/zinc/05/42/92/564054292.db2.gz RGBIEZDHXWWMHW-VKXNWWILSA-N 0 0 332.447 4.863 50 0 EJAARN CCOc1cc(-c2c[nH]c3ccccc32)cc(=O)c2c(C)oc(C)c21 ZINC000001094555 564054373 /nfs/dbraw/zinc/05/43/73/564054373.db2.gz DXSHHUXZWNUZML-UHFFFAOYSA-N 0 0 333.387 4.957 50 0 biogenic EJAARN O=C(CCSc1ccc(Cl)cc1)NCc1ccc(Cl)cc1 ZINC000001096211 564054431 /nfs/dbraw/zinc/05/44/31/564054431.db2.gz CSSHYKXIDMLLKR-UHFFFAOYSA-N 0 0 340.275 4.792 50 0 EJAARN C[C@@]12CC[C@H]3[C@@H](CC=C4C(C)(C)C(=O)CC[C@]43C)[C@@H]1CC[C@]2(C)O ZINC000257358833 564055989 /nfs/dbraw/zinc/05/59/89/564055989.db2.gz WSGNVOUHNLZNHQ-GCMNKYKISA-N 0 0 330.512 4.905 50 0 EJAARN CCOC(=O)c1sc2ncnc(Oc3cccc(C)c3C)c2c1C ZINC000015163669 564056038 /nfs/dbraw/zinc/05/60/38/564056038.db2.gz JTWKTEJDRIHFBF-UHFFFAOYSA-N 0 0 342.420 4.586 50 0 EJAARN CCC(=O)c1cccc(NC(=O)c2oc3ccc(F)cc3c2C)c1 ZINC000082087361 564056209 /nfs/dbraw/zinc/05/62/09/564056209.db2.gz SCPOUVFOBUXLMZ-UHFFFAOYSA-N 0 0 325.339 4.725 50 0 EJAARN FC(F)(F)c1cnc(-c2csc(-c3ccccn3)n2)c(Cl)c1 ZINC000263639651 564056486 /nfs/dbraw/zinc/05/64/86/564056486.db2.gz CBOODZLZYUZNDQ-UHFFFAOYSA-N 0 0 341.745 4.939 50 0 EJAARN CCn1c(S[C@H](C)c2ccccc2)nnc1-c1ccc(OC)cc1 ZINC000005850604 564056647 /nfs/dbraw/zinc/05/66/47/564056647.db2.gz AKEBFMIERSJXNT-CQSZACIVSA-N 0 0 339.464 4.827 50 0 EJAARN Cc1ccc(C(=O)Nc2c(-c3ccc(F)cc3)nc3ccccn32)cc1 ZINC000005888165 564056802 /nfs/dbraw/zinc/05/68/02/564056802.db2.gz AGVZKUQRZHCIKH-UHFFFAOYSA-N 0 0 345.377 4.701 50 0 EJAARN FC(F)(F)c1nc2ccccc2c(N[C@@H]2C[C@H]2c2ccccc2)n1 ZINC000063248795 564056832 /nfs/dbraw/zinc/05/68/32/564056832.db2.gz BUWRPUDKFVOJAV-DZGCQCFKSA-N 0 0 329.325 4.617 50 0 EJAARN O=C(O[C@@H](c1ccccc1)c1nncc2ccccc21)c1ccccc1 ZINC000005947654 564057236 /nfs/dbraw/zinc/05/72/36/564057236.db2.gz DIUYQPYSSUYGDZ-NRFANRHFSA-N 0 0 340.382 4.576 50 0 EJAARN Cc1cc(C)nc(NC(=O)N2c3ccccc3Sc3ccccc32)n1 ZINC000005960965 564057341 /nfs/dbraw/zinc/05/73/41/564057341.db2.gz NDIUYTAJYPYQSH-UHFFFAOYSA-N 0 0 348.431 4.928 50 0 EJAARN Cc1ccccc1NC(=O)CSc1nc(-c2ccccc2)cs1 ZINC000005971957 564057357 /nfs/dbraw/zinc/05/73/57/564057357.db2.gz ZLMJYTAQDMAYKU-UHFFFAOYSA-N 0 0 340.473 4.849 50 0 EJAARN Cc1ccc(NC(=O)c2ccccc2-c2nc3ccccc3[nH]2)cc1 ZINC000003901905 564057895 /nfs/dbraw/zinc/05/78/95/564057895.db2.gz WGMONLLQCULUJQ-UHFFFAOYSA-N 0 0 327.387 4.791 50 0 EJAARN O=C(CCCc1ncc(-c2ccccc2)o1)NC1CCCCCCC1 ZINC000031675077 564057921 /nfs/dbraw/zinc/05/79/21/564057921.db2.gz SQSKADBBKKFOGE-UHFFFAOYSA-N 0 0 340.467 4.893 50 0 EJAARN CCc1nc(COc2ccccc2C(=O)Nc2ccccc2)cs1 ZINC000031679172 564057925 /nfs/dbraw/zinc/05/79/25/564057925.db2.gz KNPOBHAHJJDSQW-UHFFFAOYSA-N 0 0 338.432 4.537 50 0 EJAARN Cc1cc(Br)c(-n2cccc2)c(Br)c1Cl ZINC000000167261 564058043 /nfs/dbraw/zinc/05/80/43/564058043.db2.gz SGVZLZBCXVJEMG-UHFFFAOYSA-N 0 0 349.453 4.964 50 0 EJAARN Cc1c2ccc3ccccc3c2oc1C(=O)N[C@H](C)c1cccnc1 ZINC000012534025 564058391 /nfs/dbraw/zinc/05/83/91/564058391.db2.gz ZFMYYWAXXAFVJD-CQSZACIVSA-N 0 0 330.387 4.780 50 0 EJAARN O=C(CCCc1ccccc1)N(Cc1ccsc1)CC(F)(F)F ZINC000044447495 564060108 /nfs/dbraw/zinc/06/01/08/564060108.db2.gz BHNRIYABJXWRKM-UHFFFAOYSA-N 0 0 341.398 4.662 50 0 EJAARN O=C(Nc1cccc(C(F)(F)F)c1)N(Cc1ccsc1)C1CC1 ZINC000044446778 564060133 /nfs/dbraw/zinc/06/01/33/564060133.db2.gz FBPBPSCTPWPQFM-UHFFFAOYSA-N 0 0 340.370 4.963 50 0 EJAARN CCc1ccc(NC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1 ZINC000003893660 564060311 /nfs/dbraw/zinc/06/03/11/564060311.db2.gz MMSZWAJLOIMQBF-LJQANCHMSA-N 0 0 344.458 4.830 50 0 EJAARN Cc1ccc2nc(-c3cccs3)c(Nc3ccc4c(c3)OCO4)n2c1 ZINC000003911512 564060364 /nfs/dbraw/zinc/06/03/64/564060364.db2.gz QOMMRDJSPNCRHA-UHFFFAOYSA-N 0 0 349.415 4.844 50 0 EJAARN CC(=O)[C@H]1[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004024148 564061066 /nfs/dbraw/zinc/06/10/66/564061066.db2.gz JYYRDDFNMDZIIP-JAACQLHSSA-N 0 0 328.496 4.970 50 0 biogenic EJAARN CCOc1ccccc1CN(C(=O)N[C@@H](C)c1ccsc1)C1CC1 ZINC000534666122 564061550 /nfs/dbraw/zinc/06/15/50/564061550.db2.gz XIMPSBHBJJQILY-AWEZNQCLSA-N 0 0 344.480 4.582 50 0 EJAARN O=C(C[C@@H](c1ccsc1)n1cccc1)Nc1cccc2[nH]ccc21 ZINC000263588592 564061930 /nfs/dbraw/zinc/06/19/30/564061930.db2.gz WBBVCDHFTCPJNX-SFHVURJKSA-N 0 0 335.432 4.649 50 0 EJAARN CC(=O)c1sc(NC(=O)c2sccc2C)nc1-c1ccccc1 ZINC000012685091 564062668 /nfs/dbraw/zinc/06/26/68/564062668.db2.gz UTVOKDHVYBBUBR-UHFFFAOYSA-N 0 0 342.445 4.635 50 0 EJAARN Cc1cccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000001326680 564063177 /nfs/dbraw/zinc/06/31/77/564063177.db2.gz JPTUQZVXKYYIMM-UHFFFAOYSA-N 0 0 336.460 4.625 50 0 EJAARN Cc1ccc(-c2csc(NC(=O)c3nc4ccccc4s3)n2)o1 ZINC000004134626 564063342 /nfs/dbraw/zinc/06/33/42/564063342.db2.gz ATKCNDQURCVVHA-UHFFFAOYSA-N 0 0 341.417 4.574 50 0 EJAARN COc1ccc(Cn2c3ccccc3nc2-c2ccc(Cl)nc2)cc1 ZINC000001383351 564064106 /nfs/dbraw/zinc/06/41/06/564064106.db2.gz BWOXNKLOXSNRQF-UHFFFAOYSA-N 0 0 349.821 4.809 50 0 EJAARN Cc1cccc(SCC(=O)Nc2nc(-c3ccccc3)cs2)c1 ZINC000001392124 564064534 /nfs/dbraw/zinc/06/45/34/564064534.db2.gz ZXAXVIKLTDYYIH-UHFFFAOYSA-N 0 0 340.473 4.849 50 0 EJAARN Clc1ccc(CSc2nc(Cl)c3c(n2)CCCC3)cc1 ZINC000001393104 564064598 /nfs/dbraw/zinc/06/45/98/564064598.db2.gz GNEMJRQFZPEJDL-UHFFFAOYSA-N 0 0 325.264 4.955 50 0 EJAARN COC(=O)[C@H](CC(=O)c1ccccc1)c1c(Cl)cccc1Cl ZINC000001397632 564064779 /nfs/dbraw/zinc/06/47/79/564064779.db2.gz FQQJZEKLZCFKTL-GFCCVEGCSA-N 0 0 337.202 4.523 50 0 EJAARN Cc1ccc(Oc2cc(N3CCCC3)nc(-c3ccccc3)n2)cc1 ZINC000001398438 564064794 /nfs/dbraw/zinc/06/47/94/564064794.db2.gz SNFJEDFWUSLEFY-UHFFFAOYSA-N 0 0 331.419 4.845 50 0 EJAARN Cc1cccc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)c1 ZINC000001404158 564065131 /nfs/dbraw/zinc/06/51/31/564065131.db2.gz FGZZNJFVDJJUFH-UHFFFAOYSA-N 0 0 328.843 4.891 50 0 EJAARN Cc1oc(-c2cccs2)nc1C[S@@](=O)[C@H](C)c1ccc(F)cc1 ZINC000084056809 564065889 /nfs/dbraw/zinc/06/58/89/564065889.db2.gz GCEIQOIHQCWCHU-SPSFWMDKSA-N 0 0 349.452 4.861 50 0 EJAARN c1csc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCO3)c1 ZINC000001414416 564065921 /nfs/dbraw/zinc/06/59/21/564065921.db2.gz ATDFDSWLTHMUAB-UHFFFAOYSA-N 0 0 335.388 4.535 50 0 EJAARN Cc1oc(-c2cccs2)nc1C[S@](=O)[C@@H](C)c1ccc(F)cc1 ZINC000084056803 564065923 /nfs/dbraw/zinc/06/59/23/564065923.db2.gz GCEIQOIHQCWCHU-DAOPMYJZSA-N 0 0 349.452 4.861 50 0 EJAARN Cc1sc(-n2cccc2)c(C(=O)Nc2cccc3[nH]ccc32)c1C ZINC000084061974 564066016 /nfs/dbraw/zinc/06/60/16/564066016.db2.gz COAGMZVYIXJSRR-UHFFFAOYSA-N 0 0 335.432 4.889 50 0 EJAARN Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccco2)ccc1Oc1cccnc1 ZINC000084093754 564066469 /nfs/dbraw/zinc/06/64/69/564066469.db2.gz ANDYBGMUYRVSHD-IRXDYDNUSA-N 0 0 334.375 4.518 50 0 EJAARN Cc1c2cccc(F)c2oc1C(=O)Nc1nc2c(s1)CCCCC2 ZINC000012749814 564066509 /nfs/dbraw/zinc/06/65/09/564066509.db2.gz ASJUFMSWJNZPPT-UHFFFAOYSA-N 0 0 344.411 4.858 50 0 EJAARN COc1ccc(C(=O)Nc2ccccc2[C@H]2CC2(Cl)Cl)cc1 ZINC000001424765 564066739 /nfs/dbraw/zinc/06/67/39/564066739.db2.gz YNHIDRXDQADZHF-CQSZACIVSA-N 0 0 336.218 4.609 50 0 EJAARN Cc1cc(C)n(-c2nc3ccccc3nc2Nc2ccc(C)c(F)c2)n1 ZINC000001431861 564066980 /nfs/dbraw/zinc/06/69/80/564066980.db2.gz QLVUDYRHFAUCGY-UHFFFAOYSA-N 0 0 347.397 4.623 50 0 EJAARN Cc1ccc(NC(=O)N2CCC(C)CC2)c(OCc2ccccc2)c1 ZINC000084146350 564066987 /nfs/dbraw/zinc/06/69/87/564066987.db2.gz JEMQBYOJLKIMML-UHFFFAOYSA-N 0 0 338.451 4.838 50 0 EJAARN Cc1c(C(=O)Nc2cccc(-n3cccn3)c2)oc2c1c(C)ccc2C ZINC000084147919 564066995 /nfs/dbraw/zinc/06/69/95/564066995.db2.gz YGXANTRSCYIWHZ-UHFFFAOYSA-N 0 0 345.402 4.796 50 0 EJAARN O=C(c1csc(-c2ccsc2)n1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000012751899 564067047 /nfs/dbraw/zinc/06/70/47/564067047.db2.gz LXTOMDZFDXCGNQ-STQMWFEESA-N 0 0 332.494 4.524 50 0 EJAARN Cc1cccc(C2(CNC(=O)[C@@H]3C[C@@H]3c3cccnc3)CCCCC2)c1 ZINC000084210682 564067443 /nfs/dbraw/zinc/06/74/43/564067443.db2.gz POUOZMVNVPUUIS-NHCUHLMSSA-N 0 0 348.490 4.512 50 0 EJAARN Cc1nc(C(=O)Nc2cccc(CO[C@H]3CCC[C@H](C)C3)c2)cs1 ZINC000084272001 564067632 /nfs/dbraw/zinc/06/76/32/564067632.db2.gz UNAYUGMZJJQLJR-GUYCJALGSA-N 0 0 344.480 4.799 50 0 EJAARN Cc1cccc(COc2ccccc2C(=O)Nc2ccccc2O)c1 ZINC000012765420 564067949 /nfs/dbraw/zinc/06/79/49/564067949.db2.gz TZMITNKHCKEVNL-UHFFFAOYSA-N 0 0 333.387 4.532 50 0 EJAARN O=C(Nc1ccc(F)cc1F)N[C@H](c1cccs1)c1ccccc1 ZINC000012767924 564068271 /nfs/dbraw/zinc/06/82/71/564068271.db2.gz GABAPMQETJBDGD-KRWDZBQOSA-N 0 0 344.386 4.937 50 0 EJAARN O=C(Cc1ccccc1Cl)N1CCC[C@@H]1CCc1ccccc1 ZINC000084528436 564068551 /nfs/dbraw/zinc/06/85/51/564068551.db2.gz LCUQBLBUISZBCR-GOSISDBHSA-N 0 0 327.855 4.506 50 0 EJAARN O=C(Cc1ccccc1Cl)N1CCC[C@H]1CCc1ccccc1 ZINC000084528432 564068572 /nfs/dbraw/zinc/06/85/72/564068572.db2.gz LCUQBLBUISZBCR-SFHVURJKSA-N 0 0 327.855 4.506 50 0 EJAARN COc1ccc(C2=CCN([C@H](C)c3c(F)cccc3F)CC2)cc1 ZINC000084647283 564069358 /nfs/dbraw/zinc/06/93/58/564069358.db2.gz MBNYBFQUHOCONE-CQSZACIVSA-N 0 0 329.390 4.824 50 0 EJAARN CCn1c(S[C@@H](C)c2nc3ccccc3s2)nnc1C1CC1 ZINC000012779170 564069734 /nfs/dbraw/zinc/06/97/34/564069734.db2.gz GSXHNDJOEBCGQM-JTQLQIEISA-N 0 0 330.482 4.638 50 0 EJAARN CCCCN(C)C(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 ZINC000012780012 564069771 /nfs/dbraw/zinc/06/97/71/564069771.db2.gz UZJVYJRJWQACTE-UHFFFAOYSA-N 0 0 349.434 4.584 50 0 EJAARN CCC[C@@H](C)C(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000084740081 564069990 /nfs/dbraw/zinc/06/99/90/564069990.db2.gz YSKNAWICIPWTSH-KILAXVPQSA-N 0 0 333.475 4.836 50 0 EJAARN CCCc1noc([C@H](C)OC(=O)c2ccc3c(c2)Cc2ccccc2-3)n1 ZINC000084759046 564070074 /nfs/dbraw/zinc/07/00/74/564070074.db2.gz PNSYVVGUWCURAR-ZDUSSCGKSA-N 0 0 348.402 4.511 50 0 EJAARN O=C(CCCc1cccs1)Nc1nc(-c2cccs2)cs1 ZINC000012783850 564070135 /nfs/dbraw/zinc/07/01/35/564070135.db2.gz XHFYXULTVURJIG-UHFFFAOYSA-N 0 0 334.491 4.895 50 0 EJAARN CCc1cccc(CC)c1NC(=O)c1cc(C2CC2)nc2onc(C)c21 ZINC000012785336 564070280 /nfs/dbraw/zinc/07/02/80/564070280.db2.gz ZCCKKMIWYYWALY-UHFFFAOYSA-N 0 0 349.434 4.786 50 0 EJAARN O=C(Nc1cccc(-c2nc(-c3ccccc3)no2)c1)c1ccccc1 ZINC000015671099 564070432 /nfs/dbraw/zinc/07/04/32/564070432.db2.gz DBEPJCPWMDYHSN-UHFFFAOYSA-N 0 0 341.370 4.656 50 0 EJAARN COc1cccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)c1 ZINC000012806329 564072504 /nfs/dbraw/zinc/07/25/04/564072504.db2.gz UVEOTUXWCJWIGR-ZDUSSCGKSA-N 0 0 334.419 4.554 50 0 EJAARN Cc1cccc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)c1 ZINC000012808847 564072576 /nfs/dbraw/zinc/07/25/76/564072576.db2.gz ZTRQRAYXJIHCFH-GOSISDBHSA-N 0 0 339.485 4.906 50 0 EJAARN CC1=Nc2c(c(=O)[nH]n2C2CCCCC2)[C@H](c2ccsc2)S1 ZINC000085411939 564072889 /nfs/dbraw/zinc/07/28/89/564072889.db2.gz HWQVBVGIOGOJBD-AWEZNQCLSA-N 0 0 333.482 4.629 50 0 EJAARN CN(C(=O)c1ccc(Cl)cc1Cl)c1nc2ccccc2s1 ZINC000012812524 564072926 /nfs/dbraw/zinc/07/29/26/564072926.db2.gz CDUBTFODGMLJKW-UHFFFAOYSA-N 0 0 337.231 4.880 50 0 EJAARN CCCc1sc(C(=O)N2CCCC[C@H]2CC)cc1Br ZINC000001459125 564072992 /nfs/dbraw/zinc/07/29/92/564072992.db2.gz ITDKTTNXTJFENI-LLVKDONJSA-N 0 0 344.318 4.868 50 0 EJAARN Cc1ccc2c(c1)CCCN2C(=O)c1csc2c1CC[C@@H](C)C2 ZINC000001460321 564073043 /nfs/dbraw/zinc/07/30/43/564073043.db2.gz VVKPTLHCNAWMNH-CQSZACIVSA-N 0 0 325.477 4.774 50 0 EJAARN C[C@@H]1CCc2c(C(=O)N[C@H]3CCCc4ccccc43)csc2C1 ZINC000001460317 564073072 /nfs/dbraw/zinc/07/30/72/564073072.db2.gz WJGVSNBXPNQRGK-ACJLOTCBSA-N 0 0 325.477 4.680 50 0 EJAARN O=C(Nc1nc2c(cccc2C(F)(F)F)s1)[C@@H]1CC=CCC1 ZINC000012816379 564073157 /nfs/dbraw/zinc/07/31/57/564073157.db2.gz DHKMJKLWPGYORS-SECBINFHSA-N 0 0 326.343 4.610 50 0 EJAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)c1cccs1 ZINC000012816769 564073211 /nfs/dbraw/zinc/07/32/11/564073211.db2.gz SKIQSLQVLOJNQJ-VHSXEESVSA-N 0 0 344.263 4.700 50 0 EJAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1cc(Cl)ccc1F ZINC000012818568 564073237 /nfs/dbraw/zinc/07/32/37/564073237.db2.gz COPHXBZZVDCFGM-UHFFFAOYSA-N 0 0 347.802 4.558 50 0 EJAARN CC(=O)c1ccc(NC(=O)C[C@@H](c2ccc(C)cc2)n2cccc2)cc1 ZINC000015771138 564073721 /nfs/dbraw/zinc/07/37/21/564073721.db2.gz QWLFWPLLNJKAAA-NRFANRHFSA-N 0 0 346.430 4.617 50 0 EJAARN Cc1cc(C)n(-c2nnc(Nc3ccc(Cl)cc3)c3ccccc32)n1 ZINC000015777650 564074074 /nfs/dbraw/zinc/07/40/74/564074074.db2.gz GGCKIEPXDGIVTI-UHFFFAOYSA-N 0 0 349.825 4.829 50 0 EJAARN CC1(C)Cc2cccc(OCC(=O)C34CC5CC(CC(C5)C3)C4)c2O1 ZINC000006110594 564074193 /nfs/dbraw/zinc/07/41/93/564074193.db2.gz BCKWRNJTRIGOPP-UHFFFAOYSA-N 0 0 340.463 4.564 50 0 EJAARN O=C(/C=C\c1ccc(Cl)cc1Cl)N1CCCc2ccccc21 ZINC000006112452 564074321 /nfs/dbraw/zinc/07/43/21/564074321.db2.gz NICHOBRVVYVDRT-NTMALXAHSA-N 0 0 332.230 4.986 50 0 EJAARN Cc1ccc(-c2nc3nc(C)cc(N[C@@H](C)c4ccccc4)n3n2)cc1 ZINC000015785030 564074449 /nfs/dbraw/zinc/07/44/49/564074449.db2.gz RXGSPCVXEOBGCS-INIZCTEOSA-N 0 0 343.434 4.581 50 0 EJAARN Cc1cc(C)nc(SCC(=O)N(c2ccccc2)c2ccccc2)n1 ZINC000000273580 564074961 /nfs/dbraw/zinc/07/49/61/564074961.db2.gz PCKNTISFYJSVFD-UHFFFAOYSA-N 0 0 349.459 4.550 50 0 EJAARN Cc1ccc(C)c(-c2csc(NC(=O)c3ccc(F)c(F)c3)n2)c1 ZINC000001514262 564075200 /nfs/dbraw/zinc/07/52/00/564075200.db2.gz LGZSCLMNXOGJGW-UHFFFAOYSA-N 0 0 344.386 4.957 50 0 EJAARN CCO[C@@H](C)c1nc(CNc2c(F)cccc2N2CCCC2)cs1 ZINC000086207636 564075350 /nfs/dbraw/zinc/07/53/50/564075350.db2.gz AIJHMWNKSXNIMY-ZDUSSCGKSA-N 0 0 349.475 4.592 50 0 EJAARN Fc1ccc(-c2cc(F)ccc2NCc2nnc(C3CC3)o2)cc1 ZINC000086206169 564075363 /nfs/dbraw/zinc/07/53/63/564075363.db2.gz ZRABWSHDGWZSQH-UHFFFAOYSA-N 0 0 327.334 4.504 50 0 EJAARN CC(C)(C)c1csc(NC(=O)c2csc(-c3ccsc3)n2)n1 ZINC000012856179 564075499 /nfs/dbraw/zinc/07/54/99/564075499.db2.gz PCXFLQVZZDSWQN-UHFFFAOYSA-N 0 0 349.506 4.878 50 0 EJAARN Cc1cc(CNC(=O)N([C@@H](C)c2ccc3ccccc3c2)C2CC2)no1 ZINC000086371625 564075568 /nfs/dbraw/zinc/07/55/68/564075568.db2.gz QISKSDQUGQKHBK-HNNXBMFYSA-N 0 0 349.434 4.571 50 0 EJAARN COC(=O)c1cc(OCc2ccc(Cl)cc2)c2cc(C)ccc2n1 ZINC000015828991 564075768 /nfs/dbraw/zinc/07/57/68/564075768.db2.gz IGKGFMIKKCRJJJ-UHFFFAOYSA-N 0 0 341.794 4.562 50 0 EJAARN CCOC(=O)c1ccc2nc(-c3ccc(C)cc3)cc(OCC)c2c1 ZINC000015828906 564075773 /nfs/dbraw/zinc/07/57/73/564075773.db2.gz YZMHAUFAECZTPB-UHFFFAOYSA-N 0 0 335.403 4.786 50 0 EJAARN COc1ccc(NCc2ccc(CNc3ccc(OC)cc3)cc2)cc1 ZINC000000396400 564075917 /nfs/dbraw/zinc/07/59/17/564075917.db2.gz WCCHVYYZOCJPRL-UHFFFAOYSA-N 0 0 348.446 4.928 50 0 EJAARN CC(C)OC(=O)Nc1cccc2c(NC(=O)OC(C)C)cccc12 ZINC000000398027 564075939 /nfs/dbraw/zinc/07/59/39/564075939.db2.gz IUPGZCDQCTYKAZ-UHFFFAOYSA-N 0 0 330.384 4.754 50 0 EJAARN O=C(Nc1ccc(Cl)cc1Cl)OCC(Cl)(Cl)Cl ZINC000002141459 564076042 /nfs/dbraw/zinc/07/60/42/564076042.db2.gz GWUXDMAHPWNJMV-UHFFFAOYSA-N 0 0 337.417 4.912 50 0 EJAARN C[C@](O)(c1ccccc1)c1cc2ccc1CCc1ccc(cc1)CC2 ZINC000003124726 564076103 /nfs/dbraw/zinc/07/61/03/564076103.db2.gz QGFOPLXFCMRMBI-DEOSSOPVSA-N 0 0 328.455 4.826 50 0 EJAARN Fc1cccc(OC2CN(C(c3ccccc3)c3ccccc3)C2)c1 ZINC000096347569 564076272 /nfs/dbraw/zinc/07/62/72/564076272.db2.gz BHELLAOXDCZWRB-UHFFFAOYSA-N 0 0 333.406 4.678 50 0 EJAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccccc1C(C)C ZINC000012877064 564076638 /nfs/dbraw/zinc/07/66/38/564076638.db2.gz OXINFVVEAHCWEP-UHFFFAOYSA-N 0 0 337.448 4.889 50 0 EJAARN Cc1nc(-c2cccs2)c(CC(=O)N[C@H](C)c2ccccc2)s1 ZINC000015840071 564076640 /nfs/dbraw/zinc/07/66/40/564076640.db2.gz OHTKTFCUHFJIKH-GFCCVEGCSA-N 0 0 342.489 4.600 50 0 EJAARN CCc1ccc(NC(=O)Cc2sc(C)nc2-c2cccs2)cc1 ZINC000015840150 564076646 /nfs/dbraw/zinc/07/66/46/564076646.db2.gz HQGJHRFJXZZHRW-UHFFFAOYSA-N 0 0 342.489 4.924 50 0 EJAARN CC(C)(C)C(=O)COC(=O)c1ccccc1SCc1ccsc1 ZINC000012892520 564077609 /nfs/dbraw/zinc/07/76/09/564077609.db2.gz ZSMMQGMJNYYSHR-UHFFFAOYSA-N 0 0 348.489 4.812 50 0 EJAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1c(C)cc(C)cc1C ZINC000012895867 564077633 /nfs/dbraw/zinc/07/76/33/564077633.db2.gz ZINYKOQXURXJQD-UHFFFAOYSA-N 0 0 337.448 4.691 50 0 EJAARN c1ccc2c(c1)nc(-c1ccncc1)nc2Oc1ccc2c(c1)CCC2 ZINC000012901056 564077700 /nfs/dbraw/zinc/07/77/00/564077700.db2.gz VMGSTBVWTGEYSF-UHFFFAOYSA-N 0 0 339.398 4.973 50 0 EJAARN Cc1nc(COc2ccc(C)cc2)sc1C(=O)Nc1ccccc1 ZINC000012902544 564077725 /nfs/dbraw/zinc/07/77/25/564077725.db2.gz ACQATZYHKGLOPV-UHFFFAOYSA-N 0 0 338.432 4.591 50 0 EJAARN CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccccc1OC(C)C ZINC000005546958 564077850 /nfs/dbraw/zinc/07/78/50/564077850.db2.gz GMTOEOFJKUXUPT-MOSHPQCFSA-N 0 0 348.446 4.897 50 0 EJAARN Nc1cc(C(=O)OCc2ccc(Cl)c(Cl)c2)ccc1Cl ZINC000012912140 564077945 /nfs/dbraw/zinc/07/79/45/564077945.db2.gz WHYVZUVAUJRHCG-UHFFFAOYSA-N 0 0 330.598 4.586 50 0 EJAARN O=C(c1ccccc1C(F)(F)F)N1CCCSc2ccccc21 ZINC000012915292 564078032 /nfs/dbraw/zinc/07/80/32/564078032.db2.gz WRVUTSWPXKJVJO-UHFFFAOYSA-N 0 0 337.366 4.848 50 0 EJAARN Cc1ccc(C)c([C@H](C)NC(=O)C2(c3ccc(Cl)cc3)CC2)c1 ZINC000012924776 564078491 /nfs/dbraw/zinc/07/84/91/564078491.db2.gz RSBUXBMOQBJSFG-HNNXBMFYSA-N 0 0 327.855 4.866 50 0 EJAARN O=C1N/C(=N/c2ccccc2)S/C1=C\c1ccccc1C(F)(F)F ZINC000005785684 564078879 /nfs/dbraw/zinc/07/88/79/564078879.db2.gz CKIHVOWBCYUVFQ-UVTDQMKNSA-N 0 0 348.349 4.597 50 0 EJAARN Cc1nc(-c2ccsc2)sc1C(=O)Nc1cc(C)ccc1F ZINC000012943262 564079668 /nfs/dbraw/zinc/07/96/68/564079668.db2.gz WPRWBEGIKWZXPB-UHFFFAOYSA-N 0 0 332.425 4.880 50 0 EJAARN CCc1ccc(-c2ccc(C(=O)N(C)c3ccc(Cl)cn3)o2)cc1 ZINC000074950250 564079685 /nfs/dbraw/zinc/07/96/85/564079685.db2.gz NTWGODOHAGLWFY-UHFFFAOYSA-N 0 0 340.810 4.834 50 0 EJAARN CCSc1ccccc1C(=O)N1CCC(c2ccsc2)CC1 ZINC000075157131 564080892 /nfs/dbraw/zinc/08/08/92/564080892.db2.gz PDEXKGALFLMRFN-UHFFFAOYSA-N 0 0 331.506 4.880 50 0 EJAARN Cc1cc2c(cc1-c1ccnc(N3CCCC3)n1)NC(C)(C)C[C@H]2C ZINC000575473072 564080984 /nfs/dbraw/zinc/08/09/84/564080984.db2.gz CHMPGHKWRXJIJY-OAHLLOKOSA-N 0 0 336.483 4.750 50 0 EJAARN O=C(NC1CCCCCC1)N(CCc1cccs1)Cc1ccco1 ZINC000075170185 564081021 /nfs/dbraw/zinc/08/10/21/564081021.db2.gz CGDKROZDIQVTCV-UHFFFAOYSA-N 0 0 346.496 4.818 50 0 EJAARN Cc1cc(C)n(C(=O)[C@@H]2CC=C(C)C[C@H]2c2ccc(Cl)cc2)n1 ZINC000075273251 564081377 /nfs/dbraw/zinc/08/13/77/564081377.db2.gz VFKCAZZEXJVLOT-MSOLQXFVSA-N 0 0 328.843 4.934 50 0 EJAARN O=C1c2ccccc2[C@@H]2C[C@@H](SCc3ccccc3)c3cccn3N12 ZINC000075278994 564081416 /nfs/dbraw/zinc/08/14/16/564081416.db2.gz ZZHRXUVMOKNSDH-VQTJNVASSA-N 0 0 346.455 4.699 50 0 EJAARN O=C1c2ccccc2[C@H]2C[C@@H](SCc3ccccc3)c3cccn3N12 ZINC000075278991 564081418 /nfs/dbraw/zinc/08/14/18/564081418.db2.gz ZZHRXUVMOKNSDH-WOJBJXKFSA-N 0 0 346.455 4.699 50 0 EJAARN Cc1oc(=S)n2c1C[C@H](c1ccccc1)N(Cc1ccccc1)C2 ZINC000075278788 564081424 /nfs/dbraw/zinc/08/14/24/564081424.db2.gz YEKDBPQAJIFQOC-LJQANCHMSA-N 0 0 336.460 4.876 50 0 EJAARN CC[C@H](C(=O)NCc1ccc(-c2cccs2)o1)c1ccccc1 ZINC000575607964 564082419 /nfs/dbraw/zinc/08/24/19/564082419.db2.gz GDCSMGRMPDTGDD-INIZCTEOSA-N 0 0 325.433 4.818 50 0 EJAARN O=C(CCCc1ccccc1)NCc1ccc(-c2ccsc2)o1 ZINC000575610957 564082587 /nfs/dbraw/zinc/08/25/87/564082587.db2.gz RORVTBSEHRFKLY-UHFFFAOYSA-N 0 0 325.433 4.647 50 0 EJAARN O=C(NCc1ccc(-c2ccsc2)o1)c1c(F)cccc1Cl ZINC000575611534 564082671 /nfs/dbraw/zinc/08/26/71/564082671.db2.gz WCAJXQMCSKJFIE-UHFFFAOYSA-N 0 0 335.787 4.731 50 0 EJAARN Cc1ccc(NC(=O)CSc2nc3ccccc3s2)c(Cl)c1 ZINC000006203742 564082794 /nfs/dbraw/zinc/08/27/94/564082794.db2.gz JLZJGCRCTPHTPH-UHFFFAOYSA-N 0 0 348.880 4.989 50 0 EJAARN Cc1nc2ccc(NC(=O)C3(c4ccc(Cl)cc4)CC3)cc2s1 ZINC000006216001 564082990 /nfs/dbraw/zinc/08/29/90/564082990.db2.gz RNLZVXWCXDSORQ-UHFFFAOYSA-N 0 0 342.851 4.928 50 0 EJAARN Cc1ccc(Oc2nc(-c3ccccc3)nnc2C(F)(F)F)cc1 ZINC000006213587 564082991 /nfs/dbraw/zinc/08/29/91/564082991.db2.gz HBAKOTPLBDCMON-UHFFFAOYSA-N 0 0 331.297 4.658 50 0 EJAARN Cc1cc(C)c(-c2csc(NC(=O)Cc3cccs3)n2)c(C)c1 ZINC000006221275 564083051 /nfs/dbraw/zinc/08/30/51/564083051.db2.gz RXZDLRYJDZLRRB-UHFFFAOYSA-N 0 0 342.489 4.978 50 0 EJAARN COc1ccc(Cl)cc1NC(=O)/C=C/c1c(F)cccc1Cl ZINC000006245748 564083192 /nfs/dbraw/zinc/08/31/92/564083192.db2.gz SKCDPUYFMDCHEP-SOFGYWHQSA-N 0 0 340.181 4.793 50 0 EJAARN CCOc1ccc(NC(=O)c2cc3c(s2)CCCC3)cc1OCC ZINC000006259589 564083306 /nfs/dbraw/zinc/08/33/06/564083306.db2.gz RXLVBWAHYRSUNZ-UHFFFAOYSA-N 0 0 345.464 4.677 50 0 EJAARN Cc1ccc(-c2cc(C(=O)Nc3nccs3)c3ccccc3n2)cc1 ZINC000006277674 564083508 /nfs/dbraw/zinc/08/35/08/564083508.db2.gz MKRFIPBQOYXIKH-UHFFFAOYSA-N 0 0 345.427 4.919 50 0 EJAARN C[C@@H](Cc1csc2ccccc12)NC(=O)c1ccc(Cl)s1 ZINC000575621689 564083915 /nfs/dbraw/zinc/08/39/15/564083915.db2.gz RBJZJFSXZNADCD-JTQLQIEISA-N 0 0 335.881 4.977 50 0 EJAARN C[C@@H](Cc1csc2ccccc12)NC(=O)/C=C/c1ccsc1 ZINC000575621688 564083933 /nfs/dbraw/zinc/08/39/33/564083933.db2.gz RATNPUGDKRBCQM-YBJDMEARSA-N 0 0 327.474 4.723 50 0 EJAARN O=C1[C@@H]2CCCN2[C@@H](c2ccccc2)N1c1ccc(Cl)c(Cl)c1 ZINC000075402922 564083999 /nfs/dbraw/zinc/08/39/99/564083999.db2.gz SWPBDDIECRPFFK-DLBZAZTESA-N 0 0 347.245 4.503 50 0 EJAARN CC(C)c1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000006315926 564084523 /nfs/dbraw/zinc/08/45/23/564084523.db2.gz MLFHTJUZAOUVPK-UHFFFAOYSA-N 0 0 325.433 4.764 50 0 EJAARN O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1cccc2ccccc12 ZINC000001735807 564084726 /nfs/dbraw/zinc/08/47/26/564084726.db2.gz HRMHSJNEYQJBOF-PDGQHHTCSA-N 0 0 333.774 4.838 50 0 EJAARN Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccc(OC(F)F)cc1 ZINC000006328909 564085118 /nfs/dbraw/zinc/08/51/18/564085118.db2.gz KRHVHLKQHCNLLS-UHFFFAOYSA-N 0 0 349.377 4.737 50 0 EJAARN O=C(Nc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1Cl ZINC000006329202 564085177 /nfs/dbraw/zinc/08/51/77/564085177.db2.gz FIYCACINOWETSO-UHFFFAOYSA-N 0 0 332.133 4.847 50 0 EJAARN CCc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)cc1 ZINC000006359251 564085312 /nfs/dbraw/zinc/08/53/12/564085312.db2.gz YRBOYBLPQXOTJM-PIGZYNQJSA-N 0 0 326.465 4.864 50 0 EJAARN Cc1ccc(-c2noc(Cc3nc(-c4cccs4)cs3)n2)cc1 ZINC000035592657 564085331 /nfs/dbraw/zinc/08/53/31/564085331.db2.gz FUFSLDSCVXYZHK-UHFFFAOYSA-N 0 0 339.445 4.821 50 0 EJAARN Clc1cccc(CSc2nncn3c4ccsc4cc23)c1 ZINC000006893797 564086160 /nfs/dbraw/zinc/08/61/60/564086160.db2.gz ATFXASPBOYBFQO-UHFFFAOYSA-N 0 0 331.853 4.890 50 0 EJAARN O=C(Cc1cccc2ccccc21)Nc1ccccc1OC(F)(F)F ZINC000013020576 564086904 /nfs/dbraw/zinc/08/69/04/564086904.db2.gz YQNTUQIWMJSNDX-UHFFFAOYSA-N 0 0 345.320 4.920 50 0 EJAARN CC(C)C[C@H](C(=O)Nc1ccc2[nH]c(C(C)C)nc2c1)n1cccc1 ZINC000253406987 564087022 /nfs/dbraw/zinc/08/70/22/564087022.db2.gz JKXPWDWUHQNTSR-GOSISDBHSA-N 0 0 338.455 4.714 50 0 EJAARN O=[S@](Cc1cc(-c2ccccc2)on1)Cc1cccc2ccccc21 ZINC000075495506 564087043 /nfs/dbraw/zinc/08/70/43/564087043.db2.gz VDMRCRXYGZFBOD-RUZDIDTESA-N 0 0 347.439 4.944 50 0 EJAARN CCc1nc2cc(-c3noc(-c4ccc5cc[nH]c5c4)n3)ccc2o1 ZINC000075488075 564087061 /nfs/dbraw/zinc/08/70/61/564087061.db2.gz VBNSNFSVMCARLK-UHFFFAOYSA-N 0 0 330.347 4.589 50 0 EJAARN CC[C@@H](C(=O)NCc1ccnc(-c2cccs2)c1)c1ccccc1 ZINC000225650267 564087270 /nfs/dbraw/zinc/08/72/70/564087270.db2.gz WFEJUGOJOWVZKW-QGZVFWFLSA-N 0 0 336.460 4.620 50 0 EJAARN Cc1cc(NC(=O)c2ccc3ncsc3c2)ccc1Br ZINC000002630690 564087669 /nfs/dbraw/zinc/08/76/69/564087669.db2.gz KMJGCCGLMSBARS-UHFFFAOYSA-N 0 0 347.237 4.620 50 0 EJAARN CCCCC[C@@H]1CC[C@@H](c2ccc(-c3ccc(CC)cn3)cc2)C[C@H]1C ZINC000239231170 564088020 /nfs/dbraw/zinc/08/80/20/564088020.db2.gz VBMOEUZKBIQGME-ZILOHOTNSA-N 0 0 349.562 7.411 50 0 EJAARN C[C@@H]1C[C@H]1c1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)o1 ZINC000239667374 564088208 /nfs/dbraw/zinc/08/82/08/564088208.db2.gz BPTPWNQCCVWLBB-AUJRIZCKSA-N 0 0 348.402 4.763 50 0 EJAARN Cc1nc(CC(=O)N[C@H](c2ccc(C(C)(C)C)cc2)C(C)C)cs1 ZINC000026795362 564088958 /nfs/dbraw/zinc/08/89/58/564088958.db2.gz HDZTXODGMWGNFJ-IBGZPJMESA-N 0 0 344.524 4.805 50 0 EJAARN Cc1ccsc1C(=O)N(CC(C)C)c1nc2ccccc2s1 ZINC000002648750 564089136 /nfs/dbraw/zinc/08/91/36/564089136.db2.gz MYZLLWVIOSDYBI-UHFFFAOYSA-N 0 0 330.478 4.969 50 0 EJAARN CC(=O)c1ccc(C(=O)Nc2ccccc2CCC(F)(F)F)cc1 ZINC000089292189 564089471 /nfs/dbraw/zinc/08/94/71/564089471.db2.gz MGJVDVYRCDMJNW-UHFFFAOYSA-N 0 0 335.325 4.636 50 0 EJAARN Cc1cc2cc[nH]c2cc1NC(=O)c1c(F)cccc1Br ZINC000547725801 564089671 /nfs/dbraw/zinc/08/96/71/564089671.db2.gz RZQSITZWZNBVBO-UHFFFAOYSA-N 0 0 347.187 4.630 50 0 EJAARN CCCOC(=O)c1ccc(NC(=O)/C=C/c2cccc(Cl)c2)cc1 ZINC000001952287 564090341 /nfs/dbraw/zinc/09/03/41/564090341.db2.gz HMHXRQMTPKDYRL-IZZDOVSWSA-N 0 0 343.810 4.559 50 0 EJAARN O=C(Nc1nc(-c2ccccc2Cl)cs1)c1cccc(F)c1 ZINC000006507790 564091158 /nfs/dbraw/zinc/09/11/58/564091158.db2.gz PRIAHBLUMLHVFI-UHFFFAOYSA-N 0 0 332.787 4.855 50 0 EJAARN Cc1ccc(-c2c3c(nc(C)c2C(N)=O)sc2c3CCCC2)cc1 ZINC000006507876 564091195 /nfs/dbraw/zinc/09/11/95/564091195.db2.gz HHUTZBQPVWWDHO-UHFFFAOYSA-N 0 0 336.460 4.558 50 0 EJAARN COc1ccccc1CSc1nnc(-c2c[nH]c3ccccc32)o1 ZINC000006510098 564091252 /nfs/dbraw/zinc/09/12/52/564091252.db2.gz NDLMHADRVALVGA-UHFFFAOYSA-N 0 0 337.404 4.519 50 0 EJAARN CCNC(=O)c1scc(-c2ccc(Cl)cc2)c1-n1cccc1 ZINC000064472758 564091479 /nfs/dbraw/zinc/09/14/79/564091479.db2.gz HWXLBEHDFQLEKE-UHFFFAOYSA-N 0 0 330.840 4.609 50 0 EJAARN CCCSc1nc2cc(Cl)ccc2c(=O)n1-c1ccccc1 ZINC000006559874 564092077 /nfs/dbraw/zinc/09/20/77/564092077.db2.gz KFFRZMPSHUKVQE-UHFFFAOYSA-N 0 0 330.840 4.541 50 0 EJAARN Cc1ccc(NC(=O)CSC2=Nc3ccccc3CS2)cc1C ZINC000006590192 564092391 /nfs/dbraw/zinc/09/23/91/564092391.db2.gz HGQJJGHKDMPXJV-UHFFFAOYSA-N 0 0 342.489 4.910 50 0 EJAARN Cc1cc(Cl)cc(C)c1OCC(=O)N[C@H]1CCCc2ccccc21 ZINC000006602578 564092709 /nfs/dbraw/zinc/09/27/09/564092709.db2.gz MRNBNPDCDBSQKU-SFHVURJKSA-N 0 0 343.854 4.529 50 0 EJAARN Cc1nc(Cl)ccc1COC(=O)CCCc1c[nH]c2ccccc12 ZINC000089536933 564092751 /nfs/dbraw/zinc/09/27/51/564092751.db2.gz 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/nfs/dbraw/zinc/09/40/81/564094081.db2.gz ZLDABIHDKOEMMY-INIZCTEOSA-N 0 0 343.492 4.694 50 0 EJAARN COCC1(N(C)C(=O)c2cccc(-c3ccc(C(C)C)cc3)c2)CC1 ZINC000426662423 564094293 /nfs/dbraw/zinc/09/42/93/564094293.db2.gz ZIABDYKGRSNVHC-UHFFFAOYSA-N 0 0 337.463 4.728 50 0 EJAARN Cc1[nH]nc(C2CC2)c1-c1ccccc1C(=O)N(C(C)C)C(C)C ZINC000426701446 564094434 /nfs/dbraw/zinc/09/44/34/564094434.db2.gz PHYJHFNLQBEBDU-UHFFFAOYSA-N 0 0 325.456 4.522 50 0 EJAARN O=C(Cn1c(-c2cccs2)cc2cc(Cl)ccc21)N1CCCC1 ZINC000064657616 564094780 /nfs/dbraw/zinc/09/47/80/564094780.db2.gz HWGIUOFEQJZBKB-UHFFFAOYSA-N 0 0 344.867 4.646 50 0 EJAARN CC[C@H](C)[C@H](N)c1nnc(SCc2c(Cl)cccc2Cl)o1 ZINC000006934304 564101837 /nfs/dbraw/zinc/10/18/37/564101837.db2.gz RKOXCMNGTUCVHV-UFBFGSQYSA-N 0 0 346.283 4.715 50 0 EJAARN c1sc(C2CC2)nc1-c1ccc(-c2noc(-c3ccccn3)n2)cc1 ZINC000064669204 564095039 /nfs/dbraw/zinc/09/50/39/564095039.db2.gz CCIPFRKDIIBTOO-UHFFFAOYSA-N 0 0 346.415 4.800 50 0 EJAARN Cc1ccc(-c2nc(C(=O)NCc3ccc(Cl)cc3)cs2)s1 ZINC000064676426 564095160 /nfs/dbraw/zinc/09/51/60/564095160.db2.gz QVJOXBGKTKBVNW-UHFFFAOYSA-N 0 0 348.880 4.763 50 0 EJAARN COc1ccc2oc(-c3noc(-c4sccc4C)n3)c(C)c2c1 ZINC000064676729 564095234 /nfs/dbraw/zinc/09/52/34/564095234.db2.gz NBTBXIGUWWRKEY-UHFFFAOYSA-N 0 0 326.377 4.837 50 0 EJAARN Fc1cccc(-c2noc(-c3ccc(NCc4ccccc4)nc3)n2)c1 ZINC000064676913 564095244 /nfs/dbraw/zinc/09/52/44/564095244.db2.gz NRPBEBDVGRWRGK-UHFFFAOYSA-N 0 0 346.365 4.550 50 0 EJAARN CCCCN(CC)c1ccc(-c2nc(-c3cccc(F)c3)no2)cn1 ZINC000064676892 564095264 /nfs/dbraw/zinc/09/52/64/564095264.db2.gz VFJKLSWAIBUPNS-UHFFFAOYSA-N 0 0 340.402 4.564 50 0 EJAARN Cc1nc(-c2ccc(C(=O)NCc3ccccc3Cl)cc2)cs1 ZINC000064677339 564095352 /nfs/dbraw/zinc/09/53/52/564095352.db2.gz VGSSBYHKSKTHHC-UHFFFAOYSA-N 0 0 342.851 4.702 50 0 EJAARN Cc1ccccc1SCC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000006654418 564095491 /nfs/dbraw/zinc/09/54/91/564095491.db2.gz MGSWKYAQLFZFBA-UHFFFAOYSA-N 0 0 340.492 4.716 50 0 EJAARN C[C@@H](NC(=O)COc1ccccc1Cl)c1ccc2ccccc2c1 ZINC000006654243 564095506 /nfs/dbraw/zinc/09/55/06/564095506.db2.gz VSVHSRRVBIRCFW-CQSZACIVSA-N 0 0 339.822 4.749 50 0 EJAARN CCc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccccc3)o2)cc1 ZINC000006654278 564095512 /nfs/dbraw/zinc/09/55/12/564095512.db2.gz UKUBQJLJVGQTBS-ZDUSSCGKSA-N 0 0 338.432 4.663 50 0 EJAARN COc1c2cc(F)ccc2sc1C(=O)Nc1ccc(C)c(F)c1 ZINC000064756439 564095914 /nfs/dbraw/zinc/09/59/14/564095914.db2.gz FIYFSDKMPUXTRR-UHFFFAOYSA-N 0 0 333.359 4.749 50 0 EJAARN COc1c(C(=O)Nc2cc(F)cc(F)c2)sc2cccc(F)c21 ZINC000064756325 564095915 /nfs/dbraw/zinc/09/59/15/564095915.db2.gz KQNDXUJVOHXKFA-UHFFFAOYSA-N 0 0 337.322 4.580 50 0 EJAARN CCc1ccc(CNC(=O)c2sc3ccc(F)cc3c2OC)cc1 ZINC000064756511 564095939 /nfs/dbraw/zinc/09/59/39/564095939.db2.gz AEDGQIFMLXVZIR-UHFFFAOYSA-N 0 0 343.423 4.541 50 0 EJAARN COc1c2cc(Cl)ccc2sc1C(=O)NCc1ccccc1F ZINC000064756595 564095961 /nfs/dbraw/zinc/09/59/61/564095961.db2.gz SHOCJSDBYNSTFQ-UHFFFAOYSA-N 0 0 349.814 4.632 50 0 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ZINC000006940785 564101934 /nfs/dbraw/zinc/10/19/34/564101934.db2.gz WBFQVKKQTIUYPW-UHFFFAOYSA-N 0 0 331.419 4.798 50 0 EJAARN O=C(c1ccc(COc2ccccc2)cc1)N1CCCc2ccccc21 ZINC000006941545 564101953 /nfs/dbraw/zinc/10/19/53/564101953.db2.gz ALCIIKAKCZGVJM-UHFFFAOYSA-N 0 0 343.426 4.859 50 0 EJAARN O=C(Nc1ccccc1F)N1CCC(CCOc2ccccc2)CC1 ZINC000065181372 564102384 /nfs/dbraw/zinc/10/23/84/564102384.db2.gz ZPHVQQRUEFKNST-UHFFFAOYSA-N 0 0 342.414 4.539 50 0 EJAARN c1sc(Cc2ccccc2)nc1COc1ccc2ncccc2c1 ZINC000065205825 564102657 /nfs/dbraw/zinc/10/26/57/564102657.db2.gz RCPYULOZTVXUHJ-UHFFFAOYSA-N 0 0 332.428 4.861 50 0 EJAARN Cc1c2ccccc2oc1C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000006995132 564102744 /nfs/dbraw/zinc/10/27/44/564102744.db2.gz UWJOETCVJHFHAI-JTQLQIEISA-N 0 0 326.421 4.575 50 0 EJAARN COc1ccc([C@H](NC(=O)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000006995307 564102747 /nfs/dbraw/zinc/10/27/47/564102747.db2.gz ONLMGCAZSHYWLE-OAQYLSRUSA-N 0 0 331.415 4.523 50 0 EJAARN COc1ccc(-c2nc(-c3ccc4ncn(C(C)C)c4c3)no2)c(C)c1 ZINC000065240637 564103314 /nfs/dbraw/zinc/10/33/14/564103314.db2.gz LOMDXUWUWRWGJD-UHFFFAOYSA-N 0 0 348.406 4.651 50 0 EJAARN O=C1CC2(CCCCC2)C(=O)N1Cc1ccc(-c2ccccc2)cc1 ZINC000007046908 564103626 /nfs/dbraw/zinc/10/36/26/564103626.db2.gz WQVDFALGOBDYMA-UHFFFAOYSA-N 0 0 333.431 4.563 50 0 EJAARN Cc1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)c(C)[nH]1 ZINC000007087967 564104662 /nfs/dbraw/zinc/10/46/62/564104662.db2.gz OHZQLFLBTDVESQ-NRFANRHFSA-N 0 0 345.446 4.707 50 0 EJAARN Cc1c(-c2ccccc2)sc2ncnc(Nc3cccc(CO)c3)c12 ZINC000007186837 564105614 /nfs/dbraw/zinc/10/56/14/564105614.db2.gz KVINSSIOSLFSMC-UHFFFAOYSA-N 0 0 347.443 4.903 50 0 EJAARN Cc1ccc(N[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1C ZINC000007222964 564105890 /nfs/dbraw/zinc/10/58/90/564105890.db2.gz VZHJAOOBPVNIOH-CYBMUJFWSA-N 0 0 336.357 4.761 50 0 EJAARN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N[C@@H]1CCc2ccccc21 ZINC000065474404 564106208 /nfs/dbraw/zinc/10/62/08/564106208.db2.gz ZEOJTQRXOLIDOR-QZTJIDSGSA-N 0 0 338.451 4.588 50 0 EJAARN CC(=O)Nc1ccc(C)c(NC(=O)N(CC2CC2)C2CCCCC2)c1 ZINC000065490383 564106399 /nfs/dbraw/zinc/10/63/99/564106399.db2.gz MPIHYPLVTFQBGL-UHFFFAOYSA-N 0 0 343.471 4.530 50 0 EJAARN Cc1[nH]c2c(cccc2C(=O)NCc2ccccc2OC(C)C)c1C ZINC000065500102 564106565 /nfs/dbraw/zinc/10/65/65/564106565.db2.gz HFTYJRKJGRGJIB-UHFFFAOYSA-N 0 0 336.435 4.502 50 0 EJAARN C[C@]1(c2ccccc2)OC(=O)[C@H]2[C@H]1[C@@H]1CCCCC1=C1CCCC[C@H]12 ZINC000239347373 564106596 /nfs/dbraw/zinc/10/65/96/564106596.db2.gz MULDAFDMOJEJEP-XARADAHVSA-N 0 0 336.475 5.382 50 0 biogenic EJAARN C[C@@H](c1cc2ccccc2o1)N(C)Cc1noc(-c2cccs2)n1 ZINC000065538530 564107233 /nfs/dbraw/zinc/10/72/33/564107233.db2.gz RQXPLQABOWAKOL-LBPRGKRZSA-N 0 0 339.420 4.737 50 0 EJAARN C[C@H](Nc1ccc2oc(C3CC3)nc2c1)c1nnc(-c2ccccc2)o1 ZINC000065593079 564108028 /nfs/dbraw/zinc/10/80/28/564108028.db2.gz WTHUSQVFNVZQQV-LBPRGKRZSA-N 0 0 346.390 4.928 50 0 EJAARN Cc1ccc(Cl)cc1NC(=O)c1cc(Br)ccc1F ZINC000007406800 564108044 /nfs/dbraw/zinc/10/80/44/564108044.db2.gz LSLHAAKELLCGIL-UHFFFAOYSA-N 0 0 342.595 4.802 50 0 EJAARN CCc1cccc(NC(=O)c2sc(-c3ccsc3)nc2C)c1 ZINC000007435602 564108475 /nfs/dbraw/zinc/10/84/75/564108475.db2.gz HZJKAABMMJAGQJ-UHFFFAOYSA-N 0 0 328.462 4.995 50 0 EJAARN Cc1nc(-c2ccc(NC(=O)c3c(C)noc3C(C)C)cc2)cs1 ZINC000007438211 564108492 /nfs/dbraw/zinc/10/84/92/564108492.db2.gz QHXVQNRPDAESHF-UHFFFAOYSA-N 0 0 341.436 4.791 50 0 EJAARN Cc1c2cc(Cl)c(C)cc2oc1C(=O)NCCOc1ccccc1 ZINC000526052207 564108628 /nfs/dbraw/zinc/10/86/28/564108628.db2.gz FGZNOCJYLPAFJY-UHFFFAOYSA-N 0 0 343.810 4.512 50 0 EJAARN COc1ccc([C@@H](Nc2ncnc3ccccc32)c2ccccc2)cc1 ZINC000170591712 564108827 /nfs/dbraw/zinc/10/88/27/564108827.db2.gz WZTTYVCMGOLYLG-NRFANRHFSA-N 0 0 341.414 4.840 50 0 EJAARN Cc1ccc(CN(Cc2ccn(-c3ccccc3)n2)C(C)C)s1 ZINC000170605794 564109545 /nfs/dbraw/zinc/10/95/45/564109545.db2.gz BULGFRHKXLDZJE-UHFFFAOYSA-N 0 0 325.481 4.653 50 0 EJAARN CC[C@@H](c1nc(-c2ccc(N3CCCCC3)cc2)no1)[NH+](CC)CC ZINC000170606784 564109637 /nfs/dbraw/zinc/10/96/37/564109637.db2.gz PLIUMSYUMWDKLM-SFHVURJKSA-N 0 0 342.487 4.520 50 0 EJAARN CCn1c(SCc2cccnc2Cl)nnc1-c1cccc(C)c1 ZINC000170620490 564110244 /nfs/dbraw/zinc/11/02/44/564110244.db2.gz COEFMGACDKOTER-UHFFFAOYSA-N 0 0 344.871 4.614 50 0 EJAARN CCOc1ccc(NC(=S)N[C@H](CC)c2ccc(C)cc2)cc1 ZINC000007559111 564110333 /nfs/dbraw/zinc/11/03/33/564110333.db2.gz MICJZVNMCIDTGP-GOSISDBHSA-N 0 0 328.481 4.831 50 0 EJAARN CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(-c3nccc(C)n3)cc2)C1(C)C ZINC000170627097 564110479 /nfs/dbraw/zinc/11/04/79/564110479.db2.gz SIWHGUZOEXLWNQ-ROUUACIJSA-N 0 0 335.451 4.629 50 0 EJAARN Cc1ccc2cc(C(=O)N3CCC[C@@H]3c3cccc(N(C)C)c3)[nH]c2c1 ZINC000170630458 564110619 /nfs/dbraw/zinc/11/06/19/564110619.db2.gz ZKSDOAODLOEQBN-OAQYLSRUSA-N 0 0 347.462 4.520 50 0 EJAARN CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1nc(C(F)F)nc2ccccc21 ZINC000170631094 564110665 /nfs/dbraw/zinc/11/06/65/564110665.db2.gz HTDTWJIGOROLGT-IUODEOHRSA-N 0 0 349.425 4.821 50 0 EJAARN CC(C)(C)[C@H]1OCCC[C@@H]1CNc1nc(C(F)F)nc2ccccc21 ZINC000170631093 564110668 /nfs/dbraw/zinc/11/06/68/564110668.db2.gz HTDTWJIGOROLGT-DOMZBBRYSA-N 0 0 349.425 4.821 50 0 EJAARN CN(C(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C)C1CCCCCCC1 ZINC000170631351 564110693 /nfs/dbraw/zinc/11/06/93/564110693.db2.gz UYMUQBOQYKCYGM-WMZOPIPTSA-N 0 0 338.536 4.582 50 0 EJAARN COc1ccc([C@@H]2CC(=O)Nc3c2cnn3C(C)C)c2ccccc12 ZINC000071283721 564110852 /nfs/dbraw/zinc/11/08/52/564110852.db2.gz SNNYYBWEHWZCKC-INIZCTEOSA-N 0 0 335.407 4.749 50 0 EJAARN CC1=Nc2c(c(=O)[nH]n2C2CCCCC2)[C@@H](c2ccc(O)cc2)S1 ZINC000071285090 564110892 /nfs/dbraw/zinc/11/08/92/564110892.db2.gz PQDVMMYRHNANKD-MRXNPFEDSA-N 0 0 343.452 4.686 50 0 EJAARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@H](c2ccc3ncccc3c2)S1 ZINC000071285862 564110934 /nfs/dbraw/zinc/11/09/34/564110934.db2.gz VNCOPXDNIAOVPB-INIZCTEOSA-N 0 0 338.436 4.604 50 0 EJAARN CC1=Nc2c(c(=O)[nH]n2C2CCCCC2)[C@@H](c2cccc(O)c2)S1 ZINC000071287912 564110958 /nfs/dbraw/zinc/11/09/58/564110958.db2.gz WVYGOUCWRPWFIK-MRXNPFEDSA-N 0 0 343.452 4.686 50 0 EJAARN COc1ccc(SCCCC(=O)Nc2cccc(C)c2C)cc1 ZINC000010218027 564111048 /nfs/dbraw/zinc/11/10/48/564111048.db2.gz OJOWTAHDXZDNRE-UHFFFAOYSA-N 0 0 329.465 4.823 50 0 EJAARN C[C@H](OC(=O)Cc1noc2ccccc12)c1ccc2ccccc2c1 ZINC000071818663 564111201 /nfs/dbraw/zinc/11/12/01/564111201.db2.gz OBMRFPNXTKRASV-AWEZNQCLSA-N 0 0 331.371 4.828 50 0 EJAARN COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CCC[C@@H]1C1CCCC1 ZINC000071823943 564111353 /nfs/dbraw/zinc/11/13/53/564111353.db2.gz ATEFWHOCVBTOLP-WIYYLYMNSA-N 0 0 341.495 4.686 50 0 EJAARN Cc1ccc(NC(=O)NCCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000013320293 564111413 /nfs/dbraw/zinc/11/14/13/564111413.db2.gz TZKMLWGQEKPVTE-UHFFFAOYSA-N 0 0 330.447 4.862 50 0 EJAARN CC[C@@H](NC(=O)Nc1ccc(OC)cc1OC)c1ccc(Cl)cc1 ZINC000013329043 564111551 /nfs/dbraw/zinc/11/15/51/564111551.db2.gz MKGJYHWCAWRTRV-OAHLLOKOSA-N 0 0 348.830 4.630 50 0 EJAARN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)Nc1ccc(C)cc1 ZINC000013331665 564111632 /nfs/dbraw/zinc/11/16/32/564111632.db2.gz POXMSBUZMDLNRJ-UHFFFAOYSA-N 0 0 348.450 4.809 50 0 EJAARN O=C(Nc1ccccc1SCC(F)(F)F)c1cccc(F)c1 ZINC000014184374 564112297 /nfs/dbraw/zinc/11/22/97/564112297.db2.gz AKFQVUJBXJMWJU-UHFFFAOYSA-N 0 0 329.318 4.732 50 0 EJAARN O=C1c2cccc3cccc(c23)N1Cc1cc(-c2cccs2)on1 ZINC000014214556 564112345 /nfs/dbraw/zinc/11/23/45/564112345.db2.gz RMFPPOWFQMDNCH-UHFFFAOYSA-N 0 0 332.384 4.717 50 0 EJAARN Cc1cc(C(=O)COc2cccc3ccc(C)nc32)c(C)n1C(C)C ZINC000014339460 564112442 /nfs/dbraw/zinc/11/24/42/564112442.db2.gz UQHTWCZCQBLCKI-UHFFFAOYSA-N 0 0 336.435 4.804 50 0 EJAARN Cc1cc2nc(N[C@@H]3CCC[C@H](C(F)(F)F)C3)c3ccccc3n2n1 ZINC000089610778 564112717 /nfs/dbraw/zinc/11/27/17/564112717.db2.gz XUQDFFJVAWXULZ-QWHCGFSZSA-N 0 0 348.372 4.724 50 0 EJAARN Cc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccncc4)=NN32)c1 ZINC000089669439 564113030 /nfs/dbraw/zinc/11/30/30/564113030.db2.gz HEGDFDINZGQFOO-RBBKRZOGSA-N 0 0 341.414 4.632 50 0 EJAARN Cc1coc(-c2cccc(NC(=O)c3c(F)cccc3Cl)c2)n1 ZINC000089702571 564113311 /nfs/dbraw/zinc/11/33/11/564113311.db2.gz RSBOIQFUQBBYOP-UHFFFAOYSA-N 0 0 330.746 4.695 50 0 EJAARN O=C(N[C@@H]1C[C@H]1c1ccccc1)C1(c2cccc(F)c2)CCCCC1 ZINC000089828043 564114140 /nfs/dbraw/zinc/11/41/40/564114140.db2.gz NSOCRLVIKLHWEK-VQTJNVASSA-N 0 0 337.438 4.700 50 0 EJAARN O=C(Oc1ccccc1-c1ccccc1)[C@@H]1Cc2ccccc2S1 ZINC000089851215 564114371 /nfs/dbraw/zinc/11/43/71/564114371.db2.gz QJNZUZUMMPKFBL-FQEVSTJZSA-N 0 0 332.424 4.976 50 0 EJAARN O=C(CCOc1ccc2ccccc2c1)Nc1cnc2ccccc2c1 ZINC000089878776 564114653 /nfs/dbraw/zinc/11/46/53/564114653.db2.gz RXGSUYNZNSZTOC-UHFFFAOYSA-N 0 0 342.398 4.796 50 0 EJAARN c1cn(C2CCCC2)nc1CSc1nnc(C2CCCCC2)o1 ZINC000089884714 564114685 /nfs/dbraw/zinc/11/46/85/564114685.db2.gz TVORRKBMZGOTQH-UHFFFAOYSA-N 0 0 332.473 4.721 50 0 EJAARN CC(C)c1ccc([C@@H]2CCCCN2c2cc(-n3ccnc3)ncn2)cc1 ZINC000089893393 564114831 /nfs/dbraw/zinc/11/48/31/564114831.db2.gz VSSUDDKRJJNTHV-IBGZPJMESA-N 0 0 347.466 4.517 50 0 EJAARN Cc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)c(C)c2)cc1C ZINC000017053000 564116276 /nfs/dbraw/zinc/11/62/76/564116276.db2.gz MQMIMMDYIKIZJA-UHFFFAOYSA-N 0 0 343.434 4.793 50 0 EJAARN Cc1cccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)no2)c1C ZINC000017072344 564116390 /nfs/dbraw/zinc/11/63/90/564116390.db2.gz DLOZKLHRDBHWJI-UHFFFAOYSA-N 0 0 348.324 4.951 50 0 EJAARN COc1cc(CNc2ncnc3ccccc32)ccc1OC1CCCC1 ZINC000170633439 564116418 /nfs/dbraw/zinc/11/64/18/564116418.db2.gz CICSUEXWKLWALU-UHFFFAOYSA-N 0 0 349.434 4.572 50 0 EJAARN CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)C1CC1 ZINC000000151403 564116646 /nfs/dbraw/zinc/11/66/46/564116646.db2.gz SHXLQWFLNMWEBC-UHFFFAOYSA-N 0 0 343.448 4.557 50 0 EJAARN Cc1cc(NC(=O)c2cccs2)ccc1NC(=O)c1cccs1 ZINC000000476303 564116712 /nfs/dbraw/zinc/11/67/12/564116712.db2.gz BPRHQNWGBPOKOP-UHFFFAOYSA-N 0 0 342.445 4.623 50 0 EJAARN COC(=O)c1c(C)n(Cc2cccc3ccccc32)c2ccc(O)cc21 ZINC000002874831 564117065 /nfs/dbraw/zinc/11/70/65/564117065.db2.gz JIVQINAHQYFPFX-UHFFFAOYSA-N 0 0 345.398 4.643 50 0 EJAARN CCOc1cc(C=O)ccc1OCCOc1ccc([C@@H](C)CC)cc1 ZINC000002877563 564117081 /nfs/dbraw/zinc/11/70/81/564117081.db2.gz XNZVBGVDTXIRJE-INIZCTEOSA-N 0 0 342.435 4.869 50 0 EJAARN CCCCOc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2O)cc1 ZINC000002877129 564117095 /nfs/dbraw/zinc/11/70/95/564117095.db2.gz KKEXUJHSIFQRLW-UHFFFAOYSA-N 0 0 344.794 4.998 50 0 EJAARN COc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1Cl ZINC000007310081 564117516 /nfs/dbraw/zinc/11/75/16/564117516.db2.gz GYUXMTPFNZDDDA-UHFFFAOYSA-N 0 0 329.705 4.620 50 0 EJAARN CCOc1ccc(NC(=O)c2c3ccccc3nc3c2CCCC3)cc1 ZINC000000264471 564117874 /nfs/dbraw/zinc/11/78/74/564117874.db2.gz CZGWJMMZHASIDD-UHFFFAOYSA-N 0 0 346.430 4.765 50 0 EJAARN CN(CC(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1 ZINC000007589565 564117985 /nfs/dbraw/zinc/11/79/85/564117985.db2.gz ICJXIJNABIZYJH-UHFFFAOYSA-N 0 0 332.403 4.554 50 0 EJAARN CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(C)cc1C)CO3 ZINC000002118287 564118214 /nfs/dbraw/zinc/11/82/14/564118214.db2.gz GOIJVXFTSNHPEC-UHFFFAOYSA-N 0 0 349.430 4.637 50 0 biogenic EJAARN Cc1cc(C)c(N2COc3ccc4c(C)c(C)c(=O)oc4c3C2)c(C)c1 ZINC000002123408 564118422 /nfs/dbraw/zinc/11/84/22/564118422.db2.gz DGUUFNGRUNGREJ-UHFFFAOYSA-N 0 0 349.430 4.692 50 0 biogenic EJAARN CCCCc1cc(=O)oc2c1ccc1c2CN(c2cccc(C)c2)CO1 ZINC000002126003 564118495 /nfs/dbraw/zinc/11/84/95/564118495.db2.gz HKFSDTFONDSOOV-UHFFFAOYSA-N 0 0 349.430 4.801 50 0 biogenic EJAARN CC(C)[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3cccs3)=NN21 ZINC000000115097 564118826 /nfs/dbraw/zinc/11/88/26/564118826.db2.gz DTKVSVBSSIOTDD-WMLDXEAASA-N 0 0 332.856 4.927 50 0 EJAARN CCc1ccc(NC(=O)c2c3ccccc3nc3c2CCCC3)cc1 ZINC000002383713 564119028 /nfs/dbraw/zinc/11/90/28/564119028.db2.gz VYNIHIICUDRYSV-UHFFFAOYSA-N 0 0 330.431 4.928 50 0 EJAARN CCOc1ccc(C(=O)OCc2ccc(Cl)cc2Cl)cc1 ZINC000002544848 564119072 /nfs/dbraw/zinc/11/90/72/564119072.db2.gz JEMJGNPGJJRDRN-UHFFFAOYSA-N 0 0 325.191 4.749 50 0 EJAARN O=C(c1ccc(CNc2ccc(C3CC3)c(F)c2)cc1)N1CCCC1 ZINC000252480181 564119140 /nfs/dbraw/zinc/11/91/40/564119140.db2.gz BXNFCFBFDCTPJB-UHFFFAOYSA-N 0 0 338.426 4.551 50 0 EJAARN CC(C)(C)CC(=O)N1CCC(Nc2ccc(C3CC3)c(F)c2)CC1 ZINC000252482138 564119214 /nfs/dbraw/zinc/11/92/14/564119214.db2.gz CZNIINVYSKJTCR-UHFFFAOYSA-N 0 0 332.463 4.542 50 0 EJAARN CCc1nnc([C@@H](C)Nc2ccc3c(c2)c2ccccc2n3CC)o1 ZINC000170644313 564120068 /nfs/dbraw/zinc/12/00/68/564120068.db2.gz XEULMWADCDKIIN-CYBMUJFWSA-N 0 0 334.423 4.933 50 0 EJAARN O=C(Nc1ccccc1)Nc1cc(C(F)(F)F)ccc1-n1ccnc1 ZINC000012558920 564120076 /nfs/dbraw/zinc/12/00/76/564120076.db2.gz QNPUMWWXYCKFCX-UHFFFAOYSA-N 0 0 346.312 4.535 50 0 EJAARN CCN(Cc1ccc2[nH]ccc2c1)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000252536636 564120543 /nfs/dbraw/zinc/12/05/43/564120543.db2.gz JAMIYKSFRNWANZ-MRXNPFEDSA-N 0 0 335.451 4.769 50 0 EJAARN CCCCCN=C1NC(=Cc2ccccc2)C(=O)N1c1ccc(C)cc1 ZINC000002179731 564120657 /nfs/dbraw/zinc/12/06/57/564120657.db2.gz JTTAVTJCUPGWJT-CAPFRKAQSA-N 0 0 347.462 4.519 50 0 EJAARN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1ccc(F)cn1 ZINC000170676731 564121358 /nfs/dbraw/zinc/12/13/58/564121358.db2.gz UYTLADMCXFACPJ-UHFFFAOYSA-N 0 0 347.802 4.558 50 0 EJAARN c1csc(-c2cc(CSc3ncnc4ccccc43)no2)c1 ZINC000007637130 564121364 /nfs/dbraw/zinc/12/13/64/564121364.db2.gz HDJJLISSALRFBJ-UHFFFAOYSA-N 0 0 325.418 4.639 50 0 EJAARN O=C(CN1CC=C(c2ccccc2)CC1)Nc1ccc2ccccc2c1 ZINC000007651200 564121496 /nfs/dbraw/zinc/12/14/96/564121496.db2.gz ADQQWFYXVPNYEE-UHFFFAOYSA-N 0 0 342.442 4.568 50 0 EJAARN Cc1cc(C)cc(C2(C(=O)N(C)c3ccc(F)c(F)c3)CCC2)c1 ZINC000065846729 564121668 /nfs/dbraw/zinc/12/16/68/564121668.db2.gz WTIDZKCVVORBGI-UHFFFAOYSA-N 0 0 329.390 4.666 50 0 EJAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc(-c2nccs2)cc1 ZINC000007684180 564121862 /nfs/dbraw/zinc/12/18/62/564121862.db2.gz VZDQTOQKDLWKLF-UHFFFAOYSA-N 0 0 328.824 4.645 50 0 EJAARN Cc1ccc([C@@H](NC(=O)Cc2ccccc2F)c2ccccc2)cc1 ZINC000007686116 564121939 /nfs/dbraw/zinc/12/19/39/564121939.db2.gz TYWYBXQZKJFFRS-QFIPXVFZSA-N 0 0 333.406 4.582 50 0 EJAARN O=C(COC(=O)c1cc(Cl)cc(Cl)c1)c1c[nH]c2ccccc21 ZINC000007698905 564121986 /nfs/dbraw/zinc/12/19/86/564121986.db2.gz GPRQKWKTEOKGOO-UHFFFAOYSA-N 0 0 348.185 4.514 50 0 EJAARN O=C(CSc1ccccn1)Nc1ccccc1Oc1ccccc1 ZINC000007699767 564122022 /nfs/dbraw/zinc/12/20/22/564122022.db2.gz AZQSWRQJTFZHPY-UHFFFAOYSA-N 0 0 336.416 4.605 50 0 EJAARN CC(C)NC(=O)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000007700935 564122069 /nfs/dbraw/zinc/12/20/69/564122069.db2.gz ROYDUJIHTOKBCL-UHFFFAOYSA-N 0 0 338.234 4.711 50 0 EJAARN Cc1cccnc1NC(=O)CSc1cccc2cccc(Cl)c21 ZINC000007735022 564122400 /nfs/dbraw/zinc/12/24/00/564122400.db2.gz WCBYSEWAKRPCDS-UHFFFAOYSA-N 0 0 342.851 4.927 50 0 EJAARN O=C(OCc1csc(Nc2ccccc2)n1)c1c(F)cccc1F ZINC000007734839 564122406 /nfs/dbraw/zinc/12/24/06/564122406.db2.gz UCXYCCWAYSRMCC-UHFFFAOYSA-N 0 0 346.358 4.522 50 0 EJAARN O=C(Nc1ccnn1C1CCCC1)c1sccc1-c1ccccc1 ZINC000007777807 564123040 /nfs/dbraw/zinc/12/30/40/564123040.db2.gz QBUQLBLDUWJELQ-UHFFFAOYSA-N 0 0 337.448 4.979 50 0 EJAARN CCCCn1nc(C)c(C(=O)N2CCCc3cc(C)ccc32)c1Cl ZINC000007778857 564123064 /nfs/dbraw/zinc/12/30/64/564123064.db2.gz PGABCEXOYPMPPA-UHFFFAOYSA-N 0 0 345.874 4.546 50 0 EJAARN FC(F)(F)c1ccccc1CSc1nncn1-c1ccccc1 ZINC000007782137 564123230 /nfs/dbraw/zinc/12/32/30/564123230.db2.gz CFUMAYNYNCWCKZ-UHFFFAOYSA-N 0 0 335.354 4.578 50 0 EJAARN COc1ccc(SCC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000007790020 564123353 /nfs/dbraw/zinc/12/33/53/564123353.db2.gz UBOGNAUWWGOQCQ-UHFFFAOYSA-N 0 0 342.247 4.733 50 0 EJAARN O=C(Nc1cccc(C(F)F)c1)c1sccc1Br ZINC000195421873 564123426 /nfs/dbraw/zinc/12/34/26/564123426.db2.gz FWYQYOYIZQVHNZ-UHFFFAOYSA-N 0 0 332.169 4.701 50 0 EJAARN COc1cccc(C(=O)N(C)C(c2ccccc2)c2ccccc2)c1 ZINC000007800352 564123464 /nfs/dbraw/zinc/12/34/64/564123464.db2.gz JXELLGXXXMFUQX-UHFFFAOYSA-N 0 0 331.415 4.557 50 0 EJAARN O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(Cl)c1Cl ZINC000007804667 564123598 /nfs/dbraw/zinc/12/35/98/564123598.db2.gz OFGFKUJAQALHEW-UHFFFAOYSA-N 0 0 338.278 4.940 50 0 EJAARN Cc1ccc(OCCCC(=O)N[C@@H]2CCSc3ccccc32)cc1 ZINC000007814071 564123980 /nfs/dbraw/zinc/12/39/80/564123980.db2.gz VBITULJGVZYMAI-GOSISDBHSA-N 0 0 341.476 4.507 50 0 EJAARN Clc1ccc(OCCCSc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000007833373 564124139 /nfs/dbraw/zinc/12/41/39/564124139.db2.gz PDGQKJVTDMVMRO-UHFFFAOYSA-N 0 0 345.855 4.686 50 0 EJAARN O=C1c2ccccc2N[C@H](c2ccsc2)N1CCc1ccccc1 ZINC000007884595 564124378 /nfs/dbraw/zinc/12/43/78/564124378.db2.gz DLQAJYWOUIONRG-IBGZPJMESA-N 0 0 334.444 4.557 50 0 EJAARN COc1ccc(Cl)cc1NC(=O)CCC(=O)c1ccc(C)c(C)c1 ZINC000027400965 564124575 /nfs/dbraw/zinc/12/45/75/564124575.db2.gz QVSSLCGOTWBSLE-UHFFFAOYSA-N 0 0 345.826 4.567 50 0 EJAARN CC(=O)c1c(C)[nH]c(C(=O)COc2ccc(-c3ccccc3)cc2)c1C ZINC000007896815 564124746 /nfs/dbraw/zinc/12/47/46/564124746.db2.gz NYOKQBLAHWWVKR-UHFFFAOYSA-N 0 0 347.414 4.763 50 0 EJAARN CCn1c(-c2ccc(Cl)cc2)csc1=Nc1ccc(O)cc1 ZINC000252666264 564124772 /nfs/dbraw/zinc/12/47/72/564124772.db2.gz AXLXCETVFZNQRI-UHFFFAOYSA-N 0 0 330.840 4.828 50 0 EJAARN C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)[C@@H](c2ccco2)C1 ZINC000252668258 564124777 /nfs/dbraw/zinc/12/47/77/564124777.db2.gz FBAOEFHWAHGXKN-VMUDFCTBSA-N 0 0 345.389 4.661 50 0 EJAARN NC(=O)c1cc2cc(Cl)ccc2oc1=Nc1cccc2ccccc21 ZINC000252673645 564124844 /nfs/dbraw/zinc/12/48/44/564124844.db2.gz RHCHXVVQJIYBMQ-UHFFFAOYSA-N 0 0 348.789 4.571 50 0 EJAARN C[C@H](c1nnc(-c2cccs2)o1)N1CC=C(c2ccccc2)CC1 ZINC000007913196 564125122 /nfs/dbraw/zinc/12/51/22/564125122.db2.gz GQIOHWNVNOLQET-CQSZACIVSA-N 0 0 337.448 4.648 50 0 EJAARN c1ccc2c(c1)sc1sc3c(c21)-c1ccccc1-n1nnnc1-3 ZINC000034059271 564129192 /nfs/dbraw/zinc/12/91/92/564129192.db2.gz PHNUEICPXRVIQT-UHFFFAOYSA-N 0 0 332.413 4.739 50 0 EJAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccccc2)o1 ZINC000036352213 564129193 /nfs/dbraw/zinc/12/91/93/564129193.db2.gz RTUWINGCZGTOEZ-NQIIRXRSSA-N 0 0 330.387 4.830 50 0 EJAARN COc1cc(C)c(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)c(C)c1C ZINC000253420108 564131032 /nfs/dbraw/zinc/13/10/32/564131032.db2.gz LYBLSVDSRNHLDD-JKSUJKDBSA-N 0 0 345.389 4.641 50 0 EJAARN CCCCCCSc1nnc2c3c4c(sc3ncn12)CCCC4 ZINC000002296250 564131735 /nfs/dbraw/zinc/13/17/35/564131735.db2.gz XPYPTCJCVUHITB-UHFFFAOYSA-N 0 0 346.525 4.890 50 0 EJAARN CC(=O)C1=NN(c2ccc(C)cc2)[C@H](c2cccs2)N1C(C)(C)C ZINC000002298875 564131759 /nfs/dbraw/zinc/13/17/59/564131759.db2.gz NPPSJUDUDJNUJJ-GOSISDBHSA-N 0 0 341.480 4.578 50 0 EJAARN CCOc1ccc(N[C@H](c2ccccc2)P(=O)(OC)OC)cc1 ZINC000002300527 564132079 /nfs/dbraw/zinc/13/20/79/564132079.db2.gz WDOZYHBHNBHCQY-KRWDZBQOSA-N 0 0 335.340 4.682 50 0 EJAARN CCOC(=O)[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC[C@@H]4O)[C@H]3CC[C@H]2C1 ZINC000253531424 564133035 /nfs/dbraw/zinc/13/30/35/564133035.db2.gz KTWYNZKAJLJVPO-TXAVSELJSA-N 0 0 348.527 4.569 50 0 EJAARN Cc1nc(-c2ccccc2)oc1C(=O)N(c1ccccn1)C1CCCC1 ZINC000154478894 564133318 /nfs/dbraw/zinc/13/33/18/564133318.db2.gz ZISFGUVFKGYSHM-UHFFFAOYSA-N 0 0 347.418 4.634 50 0 EJAARN C[C@H](O)CCn1cc(C(=O)c2cccc3ccccc32)c2ccccc21 ZINC000064859583 564134100 /nfs/dbraw/zinc/13/41/00/564134100.db2.gz YPRJGJFJMZOUSH-INIZCTEOSA-N 0 0 343.426 4.796 50 0 in-vitro EJAARN C[C@@H]1CCCc2sc3nc(NC4CCCCC4)n4ncnc4c3c21 ZINC000002402492 564134598 /nfs/dbraw/zinc/13/45/98/564134598.db2.gz UAEISVMSOXYGFO-LLVKDONJSA-N 0 0 341.484 4.523 50 0 EJAARN Cc1nc(/C=C/C(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)cs1 ZINC000010857966 564134783 /nfs/dbraw/zinc/13/47/83/564134783.db2.gz KKBYNZACGAFXBC-IJDCCNJMSA-N 0 0 334.872 4.632 50 0 EJAARN C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C(Cl)C(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000012656794 564135457 /nfs/dbraw/zinc/13/54/57/564135457.db2.gz AGUNEISBPXQOPA-JCKPQHEUSA-N 0 0 334.887 4.612 50 0 biogenic EJAARN O=C(c1ccc(F)cc1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000007946933 564135489 /nfs/dbraw/zinc/13/54/89/564135489.db2.gz ZPOSJTCMYFFCFI-KRWDZBQOSA-N 0 0 343.448 4.737 50 0 EJAARN Cc1ccc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1 ZINC000007947042 564135493 /nfs/dbraw/zinc/13/54/93/564135493.db2.gz GLWCBQUXXACFSB-SFHVURJKSA-N 0 0 339.485 4.906 50 0 EJAARN COc1cccc(CO[C@@H]2C[C@H](C)S[C@H]3C=CC(Cl)=C[C@H]23)c1 ZINC000012857639 564135672 /nfs/dbraw/zinc/13/56/72/564135672.db2.gz TUBWQLBEFSFOMZ-XKDXWZMYSA-N 0 0 336.884 4.783 50 0 EJAARN CC(C)c1ccc(CN(C)CC(=O)Nc2cccc(Cl)c2)cc1 ZINC000013097177 564136000 /nfs/dbraw/zinc/13/60/00/564136000.db2.gz YENBSEJFQMSPJL-UHFFFAOYSA-N 0 0 330.859 4.534 50 0 EJAARN Cc1csc(=Nc2ccccc2)n1CC(=O)c1ccc(Cl)cc1 ZINC000013301265 564136176 /nfs/dbraw/zinc/13/61/76/564136176.db2.gz LMBBJDOHLODFSC-ZZEZOPTASA-N 0 0 342.851 4.627 50 0 EJAARN Cc1cc(C(=O)NCc2ccco2)c2cccc(-c3cccs3)c2n1 ZINC000013349780 564136236 /nfs/dbraw/zinc/13/62/36/564136236.db2.gz WTGCVVJEMPSTAX-UHFFFAOYSA-N 0 0 348.427 4.795 50 0 EJAARN COc1cccc(NCc2cc3ccccc3nc2N2CCCCC2)c1 ZINC000078728258 564137033 /nfs/dbraw/zinc/13/70/33/564137033.db2.gz XOXFNXXUFMTMSU-UHFFFAOYSA-N 0 0 347.462 4.846 50 0 EJAARN Cc1nnc([C@@H](C)N[C@@H](C)c2ccc(Oc3ccccc3)c(F)c2)o1 ZINC000079029692 564137686 /nfs/dbraw/zinc/13/76/86/564137686.db2.gz YTXZRSFELDYRJF-QWHCGFSZSA-N 0 0 341.386 4.721 50 0 EJAARN O=C(CCc1ccccc1F)N[C@@H](c1ccsc1)c1cccs1 ZINC000390826521 564138467 /nfs/dbraw/zinc/13/84/67/564138467.db2.gz NGPGSVOZDHJAHM-SFHVURJKSA-N 0 0 345.464 4.787 50 0 EJAARN CCOc1ccccc1C(=O)N[C@H](c1ccsc1)c1cccs1 ZINC000390827063 564138486 /nfs/dbraw/zinc/13/84/86/564138486.db2.gz SUXPPXLJFMZZPT-QGZVFWFLSA-N 0 0 343.473 4.728 50 0 EJAARN CCOc1ccc(NC(=O)N[C@H](C)Cc2cc3ccccc3o2)cc1 ZINC000390830909 564138641 /nfs/dbraw/zinc/13/86/41/564138641.db2.gz OGVHVXCOFYQPOF-CQSZACIVSA-N 0 0 338.407 4.584 50 0 EJAARN O=C(Nc1ccccc1C(F)(F)F)c1ccc([C@H]2CCCOC2)cc1 ZINC000390834251 564138954 /nfs/dbraw/zinc/13/89/54/564138954.db2.gz VDZATHJNMAXOOS-HNNXBMFYSA-N 0 0 349.352 4.852 50 0 EJAARN COc1cccc(NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c1 ZINC000080344195 564139310 /nfs/dbraw/zinc/13/93/10/564139310.db2.gz FIUJWLSCJVWIRW-CVEARBPZSA-N 0 0 336.218 4.744 50 0 EJAARN O=C(Nc1cccc(C2SCCCS2)c1)[C@H]1C[C@@H]1c1ccco1 ZINC000095381714 564139344 /nfs/dbraw/zinc/13/93/44/564139344.db2.gz JIUZKCXZMLZPBV-GJZGRUSLSA-N 0 0 345.489 4.891 50 0 EJAARN CC(=O)Nc1ccc(NC(=O)CCCSC(C)(C)C)c(Cl)c1 ZINC000095435937 564140386 /nfs/dbraw/zinc/14/03/86/564140386.db2.gz KTGGYWBRXQHJII-UHFFFAOYSA-N 0 0 342.892 4.549 50 0 EJAARN C[C@@H](NCc1ccc(OC(F)F)c(F)c1)c1csc(C2CC2)n1 ZINC000095437373 564140409 /nfs/dbraw/zinc/14/04/09/564140409.db2.gz JCFBFZQAUJDKHM-SECBINFHSA-N 0 0 342.386 4.612 50 0 EJAARN Cc1ccc([C@H](C)NC(=O)[C@@H](C)Sc2nc3ccccc3s2)o1 ZINC000095447714 564140586 /nfs/dbraw/zinc/14/05/86/564140586.db2.gz YQYHITCCIHLCCY-NWDGAFQWSA-N 0 0 346.477 4.556 50 0 EJAARN C[C@@H]1CCCN(c2ccccc2OCc2nc3cccnc3s2)C1 ZINC000095458368 564140696 /nfs/dbraw/zinc/14/06/96/564140696.db2.gz MISHLUNNKBAPCF-CQSZACIVSA-N 0 0 339.464 4.507 50 0 EJAARN CC(C)n1ncc2c1NC(=O)CS[C@@H]2c1c(F)cccc1Cl ZINC000095475050 564141404 /nfs/dbraw/zinc/14/14/04/564141404.db2.gz MQVGXHDJZJSPOO-AWEZNQCLSA-N 0 0 339.823 4.681 50 0 EJAARN CC(C)Cn1ccnc1CN[C@@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000095943441 564142092 /nfs/dbraw/zinc/14/20/92/564142092.db2.gz BWKVSXJAFUBJRM-INIZCTEOSA-N 0 0 329.488 4.567 50 0 EJAARN Cc1ccc(C(=O)N2N=C(c3ccco3)C[C@H]2c2cccc(C)c2)cc1 ZINC000095946127 564142237 /nfs/dbraw/zinc/14/22/37/564142237.db2.gz CMYQDDVQFJQWJW-FQEVSTJZSA-N 0 0 344.414 4.888 50 0 EJAARN CC(C)(C)c1cn2nc(N[C@H]3CCC[C@@H](C(F)(F)F)C3)sc2n1 ZINC000095947949 564142292 /nfs/dbraw/zinc/14/22/92/564142292.db2.gz PPRCQJVLJIJRLE-ZJUUUORDSA-N 0 0 346.422 4.621 50 0 EJAARN Cc1cccc(N(C)C(=O)c2cnc(-c3ccsc3)s2)c1C ZINC000095958519 564142613 /nfs/dbraw/zinc/14/26/13/564142613.db2.gz PBWBFPWJQAREPK-UHFFFAOYSA-N 0 0 328.462 4.765 50 0 EJAARN COC(=O)N(C)c1ccc(N[C@H](C)c2ccc(F)c(Cl)c2)cc1 ZINC000095958787 564142620 /nfs/dbraw/zinc/14/26/20/564142620.db2.gz NNKKPCZBVGFGOG-LLVKDONJSA-N 0 0 336.794 4.855 50 0 EJAARN COc1ccccc1CN(Cc1cccs1)C(=O)c1occc1C ZINC000095959094 564142633 /nfs/dbraw/zinc/14/26/33/564142633.db2.gz HWIPVFJZFFJEGG-UHFFFAOYSA-N 0 0 341.432 4.501 50 0 EJAARN Cc1cccc([C@H](C)SCc2csc(-c3ncccn3)n2)c1 ZINC000095962202 564142782 /nfs/dbraw/zinc/14/27/82/564142782.db2.gz MOALKWDYIOMPIO-ZDUSSCGKSA-N 0 0 327.478 4.903 50 0 EJAARN Cc1cnc([C@H](C)N[C@@H](C)c2ccc(F)cc2OC(F)F)s1 ZINC000095969008 564143314 /nfs/dbraw/zinc/14/33/14/564143314.db2.gz VULRKBJRUJEOHP-UWVGGRQHSA-N 0 0 330.375 4.604 50 0 EJAARN CCOC(=O)[C@@H](NCC[C@H](C)CC(C)(C)C)c1ccccc1Cl ZINC000096026428 564144930 /nfs/dbraw/zinc/14/49/30/564144930.db2.gz ALRYVEUWOHBWSB-YOEHRIQHSA-N 0 0 339.907 4.996 50 0 EJAARN CO[C@H](CNC(=O)c1ccc(-c2ccccc2)cc1)c1ccsc1 ZINC000096103335 564145260 /nfs/dbraw/zinc/14/52/60/564145260.db2.gz KVHKNYBRRMSFGH-LJQANCHMSA-N 0 0 337.444 4.533 50 0 EJAARN Cc1cccc([C@@H]2CC(c3ccco3)=NN2C(=O)c2ccccc2)c1 ZINC000096118928 564145478 /nfs/dbraw/zinc/14/54/78/564145478.db2.gz VFZDFDNHJSJFCY-IBGZPJMESA-N 0 0 330.387 4.580 50 0 EJAARN CSc1ccc(/C=C/C(=O)N(CCc2cccs2)C2CC2)cc1 ZINC000096120312 564145550 /nfs/dbraw/zinc/14/55/50/564145550.db2.gz OLLUVMYBVMBHPC-IZZDOVSWSA-N 0 0 343.517 4.717 50 0 EJAARN O=C(c1ccco1)c1coc2ccc(OCc3ccc(F)cc3)cc12 ZINC000096184084 564145910 /nfs/dbraw/zinc/14/59/10/564145910.db2.gz ISDFRIZGQVZPHG-UHFFFAOYSA-N 0 0 336.318 4.975 50 0 EJAARN O=C(/C=C\c1ccccc1)O[C@H](c1cccc(F)c1)c1ccccn1 ZINC000096188231 564145915 /nfs/dbraw/zinc/14/59/15/564145915.db2.gz OXWZMDKRYMSTPH-BIGNBACZSA-N 0 0 333.362 4.567 50 0 EJAARN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)c1nc(-c2ccc(C)cc2)no1 ZINC000096279008 564146332 /nfs/dbraw/zinc/14/63/32/564146332.db2.gz QIBBYOKJMCLEHY-QAPCUYQASA-N 0 0 349.434 4.562 50 0 EJAARN Cc1ccc(/C=C\C(=O)N2CCC[C@@H]2CCc2ccccc2)s1 ZINC000096291548 564146435 /nfs/dbraw/zinc/14/64/35/564146435.db2.gz PAOSNSYGOLBGJS-SWNWVQGVSA-N 0 0 325.477 4.694 50 0 EJAARN Cc1ccc(/C=C\C(=O)N2CCC[C@H]2CCc2ccccc2)s1 ZINC000096291549 564146437 /nfs/dbraw/zinc/14/64/37/564146437.db2.gz PAOSNSYGOLBGJS-HWOXTHGCSA-N 0 0 325.477 4.694 50 0 EJAARN CCN(C(=O)c1csc(-c2ccsc2)n1)c1ccc(F)cc1 ZINC000021599134 564146644 /nfs/dbraw/zinc/14/66/44/564146644.db2.gz QKRJXURMUGKHGY-UHFFFAOYSA-N 0 0 332.425 4.677 50 0 EJAARN Cc1cc(C(=O)NCc2sc(-c3ccccc3C)nc2C)c(C)o1 ZINC000096342868 564146813 /nfs/dbraw/zinc/14/68/13/564146813.db2.gz QKSKEZPQFIKEJR-UHFFFAOYSA-N 0 0 340.448 4.567 50 0 EJAARN CO[C@](C)(CNC(=O)Nc1ccc(C)c(C)c1)c1cccc(Cl)c1 ZINC000096393247 564147040 /nfs/dbraw/zinc/14/70/40/564147040.db2.gz KSTZKQMVUZCEDM-LJQANCHMSA-N 0 0 346.858 4.640 50 0 EJAARN O=C(/C=C\c1ccccn1)N(Cc1cccs1)c1ccc(F)cc1 ZINC000096401804 564147114 /nfs/dbraw/zinc/14/71/14/564147114.db2.gz HQZXGBNAZTYMTD-FLIBITNWSA-N 0 0 338.407 4.529 50 0 EJAARN CC(=O)Nc1ccc(CNc2cccc(C3SCCS3)c2)cc1 ZINC000096482761 564148610 /nfs/dbraw/zinc/14/86/10/564148610.db2.gz KOJRSXJHQJYEJQ-UHFFFAOYSA-N 0 0 344.505 4.736 50 0 EJAARN Cn1c(S[C@@H]2CCc3c2cccc3Cl)nnc1-c1ccco1 ZINC000161763378 564150047 /nfs/dbraw/zinc/15/00/47/564150047.db2.gz BRXBKKRGAYQFDT-CQSZACIVSA-N 0 0 331.828 4.508 50 0 EJAARN COc1cc(CNc2ccc(-c3cnc(C4CC4)o3)cc2)ccc1O ZINC000225669343 564150208 /nfs/dbraw/zinc/15/02/08/564150208.db2.gz PVJCZIXUWYZFTD-UHFFFAOYSA-N 0 0 336.391 4.545 50 0 EJAARN CCCCCCOc1ccc(OC(=O)c2ccc(OC)cc2)cc1 ZINC000002565334 564150937 /nfs/dbraw/zinc/15/09/37/564150937.db2.gz JJYZUJHGWKCHBQ-UHFFFAOYSA-N 0 0 328.408 4.874 50 0 EJAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(F)cc(F)c1 ZINC000002622574 564151237 /nfs/dbraw/zinc/15/12/37/564151237.db2.gz DHKHHYHZCMFCLM-UHFFFAOYSA-N 0 0 335.659 4.889 50 0 EJAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(F)c1F ZINC000002632003 564151513 /nfs/dbraw/zinc/15/15/13/564151513.db2.gz XCIPLXVZCWLBKA-UHFFFAOYSA-N 0 0 343.732 4.553 50 0 EJAARN O=C(Nc1cccnc1)c1ccccc1OCc1ccc(Cl)cc1 ZINC000002635911 564151554 /nfs/dbraw/zinc/15/15/54/564151554.db2.gz VUUNWTYWKRGPDC-UHFFFAOYSA-N 0 0 338.794 4.566 50 0 EJAARN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2F)cc1OCC ZINC000002642963 564151746 /nfs/dbraw/zinc/15/17/46/564151746.db2.gz FSOHUBNEFMTHTL-UHFFFAOYSA-N 0 0 337.778 4.529 50 0 EJAARN Cc1ccc(-c2nn(-c3ccccc3)cc2NC(=O)c2ccco2)cc1 ZINC000002647751 564151845 /nfs/dbraw/zinc/15/18/45/564151845.db2.gz DYJSRJQIKXOZHU-UHFFFAOYSA-N 0 0 343.386 4.693 50 0 EJAARN CN(C(=S)NCc1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000002647098 564151854 /nfs/dbraw/zinc/15/18/54/564151854.db2.gz JGIZYPPVJBAFCQ-UHFFFAOYSA-N 0 0 346.499 4.783 50 0 EJAARN CCC(C)(C)c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000002648823 564151868 /nfs/dbraw/zinc/15/18/68/564151868.db2.gz IMOWDTMKANPATL-MRXNPFEDSA-N 0 0 325.452 4.630 50 0 EJAARN COc1ccc(-c2csc3ncnc(NCCC(C)C)c23)cc1 ZINC000002653788 564151940 /nfs/dbraw/zinc/15/19/40/564151940.db2.gz LUFNFJCHFAJQOD-UHFFFAOYSA-N 0 0 327.453 4.825 50 0 EJAARN COc1ccccc1OCCC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000002655797 564151955 /nfs/dbraw/zinc/15/19/55/564151955.db2.gz FYMPMOQIHLSENK-UHFFFAOYSA-N 0 0 347.414 4.770 50 0 EJAARN CCC(=O)NCCSc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000002721161 564152249 /nfs/dbraw/zinc/15/22/49/564152249.db2.gz OQWXXBITUFHANS-UHFFFAOYSA-N 0 0 342.439 4.592 50 0 EJAARN CCC(C)(C)C1CCC(NC(=S)Nc2ccccc2OC)CC1 ZINC000002782092 564152596 /nfs/dbraw/zinc/15/25/96/564152596.db2.gz LRGLZOWWWIEYHI-UHFFFAOYSA-N 0 0 334.529 4.977 50 0 EJAARN CCc1ccc(NC(=O)Cn2c3ccccc3c3c2CCCC3)cc1 ZINC000002887308 564152901 /nfs/dbraw/zinc/15/29/01/564152901.db2.gz QWMVNEQOZMQOIE-UHFFFAOYSA-N 0 0 332.447 4.721 50 0 EJAARN Cc1ccc(C2(c3ccc(C)cc3)C[C@H]2C(=O)NCc2ccco2)cc1 ZINC000002906754 564152970 /nfs/dbraw/zinc/15/29/70/564152970.db2.gz VVXKOPDSSHSZJY-NRFANRHFSA-N 0 0 345.442 4.519 50 0 EJAARN O=C(CCCC(=O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000002910417 564153034 /nfs/dbraw/zinc/15/30/34/564153034.db2.gz VQASSYUZQGQGMN-UHFFFAOYSA-N 0 0 336.218 4.985 50 0 EJAARN O=C(NCCCSC1CCCCC1)Nc1ccc(Cl)cc1 ZINC000002933354 564153128 /nfs/dbraw/zinc/15/31/28/564153128.db2.gz UVSKEFKTMVDVSS-UHFFFAOYSA-N 0 0 326.893 4.918 50 0 EJAARN O=C1OC(c2cccc(Cl)c2Cl)=N/C1=C/C=C/c1ccccc1 ZINC000002941973 564153135 /nfs/dbraw/zinc/15/31/35/564153135.db2.gz HOBPHSZCJHENGL-SDKHONQPSA-N 0 0 344.197 4.894 50 0 EJAARN O=C(CCSCc1ccc(Cl)cc1)NCCC1=CCCCC1 ZINC000002944156 564153170 /nfs/dbraw/zinc/15/31/70/564153170.db2.gz KRXCLBGYOFTENG-UHFFFAOYSA-N 0 0 337.916 4.970 50 0 EJAARN O=C(CCSCc1ccc(Cl)cc1)NC1CCCCCC1 ZINC000002944160 564153172 /nfs/dbraw/zinc/15/31/72/564153172.db2.gz OJDNNHXPKHTNSA-UHFFFAOYSA-N 0 0 325.905 4.802 50 0 EJAARN Cc1ccc(-c2nc(COc3ccc(-c4nnco4)cc3)co2)c(C)c1 ZINC000029375061 564153401 /nfs/dbraw/zinc/15/34/01/564153401.db2.gz WNNBLFUEWVTSOA-UHFFFAOYSA-N 0 0 347.374 4.587 50 0 EJAARN O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000057412302 564154046 /nfs/dbraw/zinc/15/40/46/564154046.db2.gz NBLYEVRLYMWBOO-UHFFFAOYSA-N 0 0 332.190 4.636 50 0 EJAARN Cc1ccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1Cl ZINC000057412370 564154076 /nfs/dbraw/zinc/15/40/76/564154076.db2.gz GJAGPOLBYLEZBW-UHFFFAOYSA-N 0 0 346.217 4.944 50 0 EJAARN Brc1ccc(CCc2ccc(Br)cc2)cc1 ZINC000057429442 564154297 /nfs/dbraw/zinc/15/42/97/564154297.db2.gz XDRPVMCAFPGETC-UHFFFAOYSA-N 0 0 340.058 4.997 50 0 EJAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000057477045 564154427 /nfs/dbraw/zinc/15/44/27/564154427.db2.gz BKGQNKTUAXGDDO-UHFFFAOYSA-N 0 0 346.217 4.944 50 0 EJAARN CCCCCCNC(=O)c1ccc2c(c1)ncn2-c1cc(C)cc(C)c1 ZINC000003025781 564154464 /nfs/dbraw/zinc/15/44/64/564154464.db2.gz LUGXWYVNGDPCHG-UHFFFAOYSA-N 0 0 349.478 4.952 50 0 EJAARN FC(F)(F)c1cnc(Oc2ccccc2-c2nnco2)c(Cl)c1 ZINC000003063683 564154908 /nfs/dbraw/zinc/15/49/08/564154908.db2.gz HMLGPPFHLHTEFP-UHFFFAOYSA-N 0 0 341.676 4.596 50 0 EJAARN C[C@H](c1cc2ccccc2o1)N(C)Cc1nc(-c2ccccc2)no1 ZINC000030006550 564155158 /nfs/dbraw/zinc/15/51/58/564155158.db2.gz YZSLAXTUIMTADG-CQSZACIVSA-N 0 0 333.391 4.676 50 0 EJAARN COc1cnc(-c2ccccn2)nc1Oc1ccc(C(C)(C)C)cc1 ZINC000003128553 564155340 /nfs/dbraw/zinc/15/53/40/564155340.db2.gz VNLWZRKMSPUMKX-UHFFFAOYSA-N 0 0 335.407 4.637 50 0 EJAARN O=C(Nc1nccs1)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000003194106 564155843 /nfs/dbraw/zinc/15/58/43/564155843.db2.gz AFQCBYGLKOCGAH-UHFFFAOYSA-N 0 0 349.390 4.750 50 0 EJAARN C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc(C2CC2)on1 ZINC000030316514 564155874 /nfs/dbraw/zinc/15/58/74/564155874.db2.gz SHOAYVMXWVJLTO-SECBINFHSA-N 0 0 339.222 4.692 50 0 EJAARN O=C(OCC(F)(F)F)c1ccc(-c2nc3ccccc3s2)s1 ZINC000003221585 564156212 /nfs/dbraw/zinc/15/62/12/564156212.db2.gz ATHZECJMGULSSX-UHFFFAOYSA-N 0 0 343.351 4.744 50 0 EJAARN Cc1n[nH]c(C)c1Sc1ccccc1NC(=O)c1ccc(F)cc1 ZINC000003222736 564156220 /nfs/dbraw/zinc/15/62/20/564156220.db2.gz CQKJXNHAHDDPAI-UHFFFAOYSA-N 0 0 341.411 4.569 50 0 EJAARN CCOC(=O)c1sc(NC(=O)c2ccc(C(C)C)cc2)cc1C ZINC000003236023 564156404 /nfs/dbraw/zinc/15/64/04/564156404.db2.gz HCWVUFBTCNOAKX-UHFFFAOYSA-N 0 0 331.437 4.609 50 0 EJAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(C)cc3Cl)cc2)n1 ZINC000003236390 564156415 /nfs/dbraw/zinc/15/64/15/564156415.db2.gz ZYEOXDYBVYXHOB-UHFFFAOYSA-N 0 0 339.826 4.703 50 0 EJAARN CCCCc1ccc(NC(=O)c2c(Cl)nc3sccn32)cc1 ZINC000003241432 564156465 /nfs/dbraw/zinc/15/64/65/564156465.db2.gz HAQZXMSXRDUWNG-UHFFFAOYSA-N 0 0 333.844 4.644 50 0 EJAARN O=C(CSc1nc2ccccc2s1)c1ccc(Cl)s1 ZINC000003240791 564156478 /nfs/dbraw/zinc/15/64/78/564156478.db2.gz RFJBLNJCDCSDPD-UHFFFAOYSA-N 0 0 325.867 4.986 50 0 EJAARN COc1ccc(C(C)=O)c(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000003256637 564156647 /nfs/dbraw/zinc/15/66/47/564156647.db2.gz BQRNRKJJQBQDPM-UHFFFAOYSA-N 0 0 325.191 4.784 50 0 EJAARN Oc1ccccc1-c1cc(-c2ccccc2)nn1Cc1ccccc1 ZINC000003263663 564156760 /nfs/dbraw/zinc/15/67/60/564156760.db2.gz OQEZXEZQIHOSJE-UHFFFAOYSA-N 0 0 326.399 4.971 50 0 EJAARN CN(C)[C@H](Cc1ccccc1)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000003282717 564156947 /nfs/dbraw/zinc/15/69/47/564156947.db2.gz PGBOSHGQRMJEAQ-JOCHJYFZSA-N 0 0 329.443 4.709 50 0 EJAARN CCOc1ccccc1OCCC(=O)Nc1ccc2ccccc2c1 ZINC000003293741 564157113 /nfs/dbraw/zinc/15/71/13/564157113.db2.gz XLNOHVBSEZPXIM-UHFFFAOYSA-N 0 0 335.403 4.646 50 0 EJAARN CC(C)CCC[C@H](C)NC(=O)c1ccc(C(=O)c2ccccc2)cc1 ZINC000003338495 564157444 /nfs/dbraw/zinc/15/74/44/564157444.db2.gz DHFOGKCDRDIVRL-KRWDZBQOSA-N 0 0 337.463 4.862 50 0 EJAARN CCc1cccc(CC)c1NC(=S)N(C)Cc1ccccc1OC ZINC000003344335 564157521 /nfs/dbraw/zinc/15/75/21/564157521.db2.gz HJSJPWMCFGFJLW-UHFFFAOYSA-N 0 0 342.508 4.649 50 0 EJAARN CCc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](c1cc(OC)ccc1OC)N2 ZINC000030781555 564157746 /nfs/dbraw/zinc/15/77/46/564157746.db2.gz YBGRKMIQIUDPGD-JHVJFLLYSA-N 0 0 339.435 4.511 50 0 EJAARN C[C@@H](OC(=O)c1cccc(OC(F)F)c1)c1cnc2ccccc2c1 ZINC000058142704 564157790 /nfs/dbraw/zinc/15/77/90/564157790.db2.gz JOZMOXQVBKVBCO-GFCCVEGCSA-N 0 0 343.329 4.754 50 0 EJAARN CCC[C@H](C)NC(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000058167843 564157941 /nfs/dbraw/zinc/15/79/41/564157941.db2.gz ONXAMPKUDNKDRI-ZDUSSCGKSA-N 0 0 349.450 4.655 50 0 EJAARN CCc1sc(C(=O)OCC(=O)c2c(C)c(C)cc(C)c2C)cc1C ZINC000003429995 564158087 /nfs/dbraw/zinc/15/80/87/564158087.db2.gz PRSDHIYDBMJQNH-UHFFFAOYSA-N 0 0 344.476 4.892 50 0 EJAARN O=C(Cc1c(F)cccc1Cl)Nc1ccccc1N1CCCCC1 ZINC000003428284 564158117 /nfs/dbraw/zinc/15/81/17/564158117.db2.gz OYZJLCWNBCGNBL-UHFFFAOYSA-N 0 0 346.833 4.651 50 0 EJAARN C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)c1ccccc1 ZINC000003431757 564158120 /nfs/dbraw/zinc/15/81/20/564158120.db2.gz VKPCZXLXVLSNPC-GFCCVEGCSA-N 0 0 329.856 4.989 50 0 EJAARN COc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)ccc1OC(F)F ZINC000003448973 564158210 /nfs/dbraw/zinc/15/82/10/564158210.db2.gz WQQXDWZZVJXTPX-UHFFFAOYSA-N 0 0 349.377 4.846 50 0 EJAARN CCOCc1c2ccccc2oc1C(=O)Nc1ccc(OCC)cc1 ZINC000003547306 564158870 /nfs/dbraw/zinc/15/88/70/564158870.db2.gz UJPSHULHNZYSOL-UHFFFAOYSA-N 0 0 339.391 4.620 50 0 EJAARN COc1ccc(-c2cn3cc(C(F)(F)F)cc(Cl)c3n2)cc1 ZINC000004002657 564159966 /nfs/dbraw/zinc/15/99/66/564159966.db2.gz MAXAHMDQWGZENU-UHFFFAOYSA-N 0 0 326.705 4.682 50 0 EJAARN FC(F)(F)c1cnc2c(c1)n[nH]c2-c1ccc(Cl)cc1Cl ZINC000004002806 564159971 /nfs/dbraw/zinc/15/99/71/564159971.db2.gz BBEYYMUOXVADDH-UHFFFAOYSA-N 0 0 332.112 4.951 50 0 EJAARN CCC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C ZINC000004023364 564160072 /nfs/dbraw/zinc/16/00/72/564160072.db2.gz ULJOJMSGJSWPSE-GLRKZIRRSA-N 0 0 342.479 4.616 50 0 biogenic EJAARN COc1ccc(C(=O)Nc2nc(C)c(-c3ccccc3)s2)cc1F ZINC000031968004 564160329 /nfs/dbraw/zinc/16/03/29/564160329.db2.gz BNHUNKCHMFHPER-UHFFFAOYSA-N 0 0 342.395 4.519 50 0 EJAARN O=C(Nc1nc2ccc(F)cc2s1)c1cccc(C(F)(F)F)c1 ZINC000004077598 564160346 /nfs/dbraw/zinc/16/03/46/564160346.db2.gz IZGIOHMVGNKLPB-UHFFFAOYSA-N 0 0 340.301 4.707 50 0 EJAARN CC(=O)C1=C(C)C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004082194 564160434 /nfs/dbraw/zinc/16/04/34/564160434.db2.gz WYOKDIKHIXWWOC-RVEDGADZSA-N 0 0 328.496 4.826 50 0 biogenic EJAARN CCCCC(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1 ZINC000004141749 564160931 /nfs/dbraw/zinc/16/09/31/564160931.db2.gz GGTWTETWUVVTCU-UHFFFAOYSA-N 0 0 344.798 4.983 50 0 EJAARN Cc1ccc(NC(=O)c2ccc(-c3cccs3)nc2C)cc1F ZINC000032197322 564161024 /nfs/dbraw/zinc/16/10/24/564161024.db2.gz KQELXPUBFPIGJL-UHFFFAOYSA-N 0 0 326.396 4.818 50 0 EJAARN Cc1c2ccccc2oc1[C@H]([NH2+]C1CCC(C(=O)[O-])CC1)C(C)C ZINC000263376789 564161258 /nfs/dbraw/zinc/16/12/58/564161258.db2.gz ASEPKAMMJONXGY-JTTJXQCZSA-N 0 0 329.440 4.671 50 0 EJAARN C[C@@H](NC(=O)c1cc2c(s1)CCC2)c1cccc(C(F)(F)F)c1 ZINC000007986914 564161868 /nfs/dbraw/zinc/16/18/68/564161868.db2.gz IQQWTIFLZGTJPP-SNVBAGLBSA-N 0 0 339.382 4.747 50 0 EJAARN CC[C@H](NC(=O)c1cc2ccccc2cc1OC)c1ccc(OC)cc1 ZINC000007986702 564161876 /nfs/dbraw/zinc/16/18/76/564161876.db2.gz DCYYSKPEMQJAMV-FQEVSTJZSA-N 0 0 349.430 4.738 50 0 EJAARN COc1ccc(C)cc1NC(=O)c1sc(-c2ccccc2)nc1C ZINC000007996033 564162062 /nfs/dbraw/zinc/16/20/62/564162062.db2.gz LDPRLVFTIVWQNH-UHFFFAOYSA-N 0 0 338.432 4.688 50 0 EJAARN Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)NC2CC2)cc1 ZINC000008035037 564162292 /nfs/dbraw/zinc/16/22/92/564162292.db2.gz KRMOZLMDOGXXJO-UHFFFAOYSA-N 0 0 348.471 4.607 50 0 EJAARN Cc1cccc(Oc2ccc(Cl)cc2NC(=O)[C@@H]2CCCO2)c1 ZINC000008040007 564162347 /nfs/dbraw/zinc/16/23/47/564162347.db2.gz MHLCWROIGNHZLO-KRWDZBQOSA-N 0 0 331.799 4.558 50 0 EJAARN CN(C(=O)c1cccc(C(F)(F)F)c1)[C@H]1CCCc2ccccc21 ZINC000008039714 564162357 /nfs/dbraw/zinc/16/23/57/564162357.db2.gz NYHZDENUODFVKL-KRWDZBQOSA-N 0 0 333.353 4.855 50 0 EJAARN Cc1cc(C(=O)CSc2cccc(C(F)(F)F)c2)c(C)n1C ZINC000008073604 564162525 /nfs/dbraw/zinc/16/25/25/564162525.db2.gz MEXQEHNPFWUWAT-UHFFFAOYSA-N 0 0 327.371 4.636 50 0 EJAARN Cc1ccc2c(CC(=O)N[C@H](C)c3ccc(F)cc3F)coc2c1C ZINC000008073782 564162533 /nfs/dbraw/zinc/16/25/33/564162533.db2.gz CMJMRJIGTWDVGV-CYBMUJFWSA-N 0 0 343.373 4.748 50 0 EJAARN O=C(CC1CCCC1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008104835 564162724 /nfs/dbraw/zinc/16/27/24/564162724.db2.gz KUOOJUFDPCZDRI-OAHLLOKOSA-N 0 0 328.481 4.583 50 0 EJAARN Cc1ccc(F)cc1NC(=O)Cc1csc(-c2ccsc2)n1 ZINC000008122910 564162880 /nfs/dbraw/zinc/16/28/80/564162880.db2.gz QLJLORVZLWGUEC-UHFFFAOYSA-N 0 0 332.425 4.500 50 0 EJAARN O=C(CCc1nc(-c2ccsc2)no1)Nc1cccc2ccccc21 ZINC000008156302 564163209 /nfs/dbraw/zinc/16/32/09/564163209.db2.gz AOSALRPTKQZUHC-UHFFFAOYSA-N 0 0 349.415 4.523 50 0 EJAARN Fc1cccc(-c2nc(-c3ccc4c(c3)OCCCO4)cs2)c1 ZINC000008156722 564163244 /nfs/dbraw/zinc/16/32/44/564163244.db2.gz VGBPYUDFVFENIS-UHFFFAOYSA-N 0 0 327.380 4.778 50 0 EJAARN Cc1csc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)n1 ZINC000008193885 564163487 /nfs/dbraw/zinc/16/34/87/564163487.db2.gz VBKSMZHWPZQJIE-UHFFFAOYSA-N 0 0 341.417 4.574 50 0 EJAARN O=C(CCc1ccccc1Cl)Nc1nc2ccc(F)cc2s1 ZINC000008231351 564163724 /nfs/dbraw/zinc/16/37/24/564163724.db2.gz OLVBGGGOGXMWJN-UHFFFAOYSA-N 0 0 334.803 4.660 50 0 EJAARN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cc2c(s1)CCC2 ZINC000008270137 564163906 /nfs/dbraw/zinc/16/39/06/564163906.db2.gz GCQRKFAPXLENOZ-UHFFFAOYSA-N 0 0 341.432 4.531 50 0 EJAARN O=C(OCc1nc2ccccc2o1)C1(c2ccccc2F)CCCC1 ZINC000008278196 564163969 /nfs/dbraw/zinc/16/39/69/564163969.db2.gz KAOGQEZRQDQGTC-UHFFFAOYSA-N 0 0 339.366 4.522 50 0 EJAARN O=C1CCCN1c1ccc(-c2csc(-c3cccc(F)c3)n2)cc1 ZINC000008296702 564164063 /nfs/dbraw/zinc/16/40/63/564164063.db2.gz YAZIAXDCNSMMGB-UHFFFAOYSA-N 0 0 338.407 4.743 50 0 EJAARN O=C(c1ccc(-c2ccccc2F)o1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000008306007 564164185 /nfs/dbraw/zinc/16/41/85/564164185.db2.gz CLWDBNQVMZEEMR-CABCVRRESA-N 0 0 327.399 4.738 50 0 EJAARN Cc1cc(CSc2ccccc2C(=O)NC2CCCCCC2)no1 ZINC000008312470 564164193 /nfs/dbraw/zinc/16/41/93/564164193.db2.gz IIQXGWHUDDWMSU-UHFFFAOYSA-N 0 0 344.480 4.728 50 0 EJAARN C[C@H]1CCc2sc(-c3nnc(SCc4cscn4)o3)cc2C1 ZINC000008325355 564164404 /nfs/dbraw/zinc/16/44/04/564164404.db2.gz FYQPPHWZMAKGAO-VIFPVBQESA-N 0 0 349.506 4.672 50 0 EJAARN COc1ccc(-c2nc(-c3ccccc3OC)cs2)cc1OC ZINC000008327593 564164469 /nfs/dbraw/zinc/16/44/69/564164469.db2.gz CUWNNXCQMNACPM-UHFFFAOYSA-N 0 0 327.405 4.503 50 0 EJAARN CC(C)N(Cc1ccccc1)C(=O)COc1cccc2ccccc21 ZINC000008328603 564164490 /nfs/dbraw/zinc/16/44/90/564164490.db2.gz VOYQMTZVAMHRGD-UHFFFAOYSA-N 0 0 333.431 4.656 50 0 EJAARN O=C(CCCc1cccs1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000008394703 564165064 /nfs/dbraw/zinc/16/50/64/564165064.db2.gz KDCVMZAJKCCANC-UHFFFAOYSA-N 0 0 343.448 4.751 50 0 EJAARN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cc2ccccc2o1 ZINC000008405048 564165156 /nfs/dbraw/zinc/16/51/56/564165156.db2.gz VMPFUWGTLZCDOO-UHFFFAOYSA-N 0 0 335.359 4.727 50 0 EJAARN Cc1cc(CSc2ncnc3scc(-c4ccccc4)c32)no1 ZINC000008707675 564166547 /nfs/dbraw/zinc/16/65/47/564166547.db2.gz LTDIBDZZGOYPAT-UHFFFAOYSA-N 0 0 339.445 4.947 50 0 EJAARN O=C(Nc1c(-c2ccccc2)nc2ccccn21)c1ccc(F)cc1F ZINC000008709950 564166592 /nfs/dbraw/zinc/16/65/92/564166592.db2.gz VROHYRKYYVHBFJ-UHFFFAOYSA-N 0 0 349.340 4.532 50 0 EJAARN Clc1ccc(OCCCCSc2ncccn2)cc1Cl ZINC000008749863 564167255 /nfs/dbraw/zinc/16/72/55/564167255.db2.gz NWAFPTXYMYZFJQ-UHFFFAOYSA-N 0 0 329.252 4.735 50 0 EJAARN C[C@H](c1ccccc1)N1C(=O)c2ccccc2N[C@H]1c1cccc(O)c1 ZINC000008719564 564166922 /nfs/dbraw/zinc/16/69/22/564166922.db2.gz OUIGPQRSUZBJQS-QVKFZJNVSA-N 0 0 344.414 4.720 50 0 EJAARN COc1ccccc1NC(=O)Cc1coc2cc(C)c(Cl)c(C)c12 ZINC000039892981 564167672 /nfs/dbraw/zinc/16/76/72/564167672.db2.gz JNODDCJPXRNSDH-UHFFFAOYSA-N 0 0 343.810 4.893 50 0 EJAARN CCCN1C(=O)c2ccccc2[C@]1(Nc1ccccc1)c1ccccc1 ZINC000039932519 564167690 /nfs/dbraw/zinc/16/76/90/564167690.db2.gz RMCUPXFGTMDJOY-QHCPKHFHSA-N 0 0 342.442 4.866 50 0 EJAARN O=C(Nc1nc(C2CC2)cs1)c1cc(-c2cccc(Cl)c2)on1 ZINC000040087421 564167930 /nfs/dbraw/zinc/16/79/30/564167930.db2.gz VGIXNEWWEZZZTH-UHFFFAOYSA-N 0 0 345.811 4.581 50 0 EJAARN O=C(Nc1ccc(-c2nccs2)cc1)c1ccccc1OC(F)F ZINC000008988308 564168466 /nfs/dbraw/zinc/16/84/66/564168466.db2.gz RDYNUXFYBQWCOY-UHFFFAOYSA-N 0 0 346.358 4.664 50 0 EJAARN Cc1c(C)n(Cc2ccc(C)cc2)c(N)c1-c1nc2ccccc2[nH]1 ZINC000008991565 564168505 /nfs/dbraw/zinc/16/85/05/564168505.db2.gz ZWAZTEOPQVVCLJ-UHFFFAOYSA-N 0 0 330.435 4.587 50 0 EJAARN C[C@@H]1CCC[C@@H](NC(=O)c2cccc(OCc3ccccc3)c2)[C@H]1C ZINC000245228105 564168754 /nfs/dbraw/zinc/16/87/54/564168754.db2.gz DJXJETVHGPUZGE-LLGFUMIMSA-N 0 0 337.463 4.820 50 0 EJAARN CCOc1ccccc1NC(=O)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000245236961 564168764 /nfs/dbraw/zinc/16/87/64/564168764.db2.gz AECQSHHHODSJDE-JTDSTZFVSA-N 0 0 333.472 4.501 50 0 EJAARN O=C(Nc1ccnn1C1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000069632907 564171116 /nfs/dbraw/zinc/17/11/16/564171116.db2.gz COGQUBYYEJWCBM-UHFFFAOYSA-N 0 0 337.345 4.659 50 0 EJAARN Cc1nc(CNCc2ccc(Oc3ccccc3F)c(F)c2)oc1C ZINC000069950146 564172881 /nfs/dbraw/zinc/17/28/81/564172881.db2.gz BCYBFHDZNWXSMS-UHFFFAOYSA-N 0 0 344.361 4.652 50 0 EJAARN Cc1ccc(CNc2nc3ccccc3c(N3CCCCCC3)n2)cc1 ZINC000041149434 564173514 /nfs/dbraw/zinc/17/35/14/564173514.db2.gz MHPKEBJDZGALRN-UHFFFAOYSA-N 0 0 346.478 4.931 50 0 EJAARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(C)c3ncccc23)cc1C ZINC000041157009 564173631 /nfs/dbraw/zinc/17/36/31/564173631.db2.gz UFUPHJYGUOSOIA-INIZCTEOSA-N 0 0 334.419 4.566 50 0 EJAARN CCC[C@@H]1c2cccn2CCN1C(=O)Nc1cc(Cl)ccc1C ZINC000009528144 564174046 /nfs/dbraw/zinc/17/40/46/564174046.db2.gz FJDDYRCXICCRDO-QGZVFWFLSA-N 0 0 331.847 4.839 50 0 EJAARN CC(=O)N1N=C(c2cccc(Cl)c2Cl)O[C@@H]1c1cccc(C)c1 ZINC000009586986 564174254 /nfs/dbraw/zinc/17/42/54/564174254.db2.gz ADXHYXAJDYAKQX-QGZVFWFLSA-N 0 0 349.217 4.541 50 0 EJAARN CC(C)n1ccc2c1cccc2NC(=O)c1ccc2c(ccn2C)c1 ZINC000070666537 564174283 /nfs/dbraw/zinc/17/42/83/564174283.db2.gz FBLOHGGSWVDVKU-UHFFFAOYSA-N 0 0 331.419 4.966 50 0 biogenic EJAARN CC(C)n1ccc2c1cccc2NC(=O)Cn1ccc2ccccc21 ZINC000070666438 564174293 /nfs/dbraw/zinc/17/42/93/564174293.db2.gz PUCKZJIVKLQTST-UHFFFAOYSA-N 0 0 331.419 4.816 50 0 biogenic EJAARN Cc1cccc(C(=O)Nc2ccc3c(c2)C(=O)Nc2ccccc2O3)c1 ZINC000009827866 564174643 /nfs/dbraw/zinc/17/46/43/564174643.db2.gz VDFSNYUSOYLKMM-UHFFFAOYSA-N 0 0 344.370 4.605 50 0 EJAARN Cc1[nH]c2ccc(C(=O)N[C@@H]3CCSc4ccccc43)cc2c1C ZINC000009866004 564174744 /nfs/dbraw/zinc/17/47/44/564174744.db2.gz MSGADYBAEWEVRA-GOSISDBHSA-N 0 0 336.460 4.752 50 0 EJAARN O=C(c1ccc(F)cc1Cl)N(Cc1ccsc1)Cc1ccco1 ZINC000042382018 564174955 /nfs/dbraw/zinc/17/49/55/564174955.db2.gz OFPZCGPNXDCLIQ-UHFFFAOYSA-N 0 0 349.814 4.976 50 0 EJAARN Cc1ccc(CNC(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1F ZINC000010206308 564175122 /nfs/dbraw/zinc/17/51/22/564175122.db2.gz ONBFMVWXLFPZIU-GOSISDBHSA-N 0 0 346.833 4.738 50 0 EJAARN Cc1cccc([C@H]2CCCN2C(=O)Cc2ccc(-n3cccc3)cc2)c1 ZINC000071818530 564175642 /nfs/dbraw/zinc/17/56/42/564175642.db2.gz GBXOSMFYXMQBLA-JOCHJYFZSA-N 0 0 344.458 4.692 50 0 EJAARN CC(C)[C@@H]1CCCN1C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000071829978 564175708 /nfs/dbraw/zinc/17/57/08/564175708.db2.gz JWMHKBPXMCJJIH-INIZCTEOSA-N 0 0 346.858 4.575 50 0 EJAARN CC[C@H](C(=O)NCC[C@@H](O)c1cccc2ccccc21)c1ccccc1 ZINC000077116624 564176604 /nfs/dbraw/zinc/17/66/04/564176604.db2.gz YJWRDUPEYXBPPB-SIKLNZKXSA-N 0 0 347.458 4.573 50 0 EJAARN O=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccccc1-c1cccs1 ZINC000078276241 564176950 /nfs/dbraw/zinc/17/69/50/564176950.db2.gz RHWUKUXEMCRWRZ-QGZVFWFLSA-N 0 0 349.411 4.655 50 0 EJAARN Cc1ccc(NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)cc1 ZINC000007003027 568418255 /nfs/dbraw/zinc/41/82/55/568418255.db2.gz KHSLPYDSQGGTBK-UHFFFAOYSA-N 0 0 326.396 4.594 50 0 EJAARN c1c2ccccc2oc1C1=Nn2cc(-c3ccccc3)nc2SC1 ZINC000006567061 568420906 /nfs/dbraw/zinc/42/09/06/568420906.db2.gz PSYWOKLDOUYVBW-UHFFFAOYSA-N 0 0 331.400 4.654 50 0 EJAARN Cc1nc(-c2ccc(CNC(=O)Nc3ccc(C)cc3)cc2)cs1 ZINC000009114017 568423244 /nfs/dbraw/zinc/42/32/44/568423244.db2.gz RIFGNYVTGRFEHN-UHFFFAOYSA-N 0 0 337.448 4.749 50 0 EJAARN CC(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1 ZINC000050510532 214058259 /nfs/dbraw/zinc/05/82/59/214058259.db2.gz KNCOHJILPUFHOC-UHFFFAOYSA-N 0 0 342.782 4.532 50 0 EJAARN COc1cc(NC(=O)c2ccc3ccccc3c2)c(OC)cc1Cl ZINC000004740793 210266413 /nfs/dbraw/zinc/26/64/13/210266413.db2.gz ZSIBOFQOAWYEPS-UHFFFAOYSA-N 0 0 341.794 4.763 50 0 EJAARN Cc1ccc(/C=C\C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)o1 ZINC000050998018 214074793 /nfs/dbraw/zinc/07/47/93/214074793.db2.gz FFQQRPXNEXJAAG-SEYXRHQNSA-N 0 0 343.386 4.783 50 0 EJAARN COc1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)c(C)c1 ZINC000051355889 214089810 /nfs/dbraw/zinc/08/98/10/214089810.db2.gz VVSGEBCRDGKXHA-UHFFFAOYSA-N 0 0 325.195 4.954 50 0 EJAARN COc1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)c(C)c1 ZINC000051355915 214089876 /nfs/dbraw/zinc/08/98/76/214089876.db2.gz JUNFLHAMJIBUDI-UHFFFAOYSA-N 0 0 340.301 4.546 50 0 EJAARN Cc1cc(NC(=O)Nc2cccc(F)c2C)ccc1Br ZINC000051354555 214090083 /nfs/dbraw/zinc/09/00/83/214090083.db2.gz CSUJGLRRKMPZLM-UHFFFAOYSA-N 0 0 337.192 4.849 50 0 EJAARN Cc1ccn2c(c1)nc(-c1ccccc1)c2Nc1ccc2c(c1)OCO2 ZINC000004735069 210264224 /nfs/dbraw/zinc/26/42/24/210264224.db2.gz ODBHVJFEEMXWJD-UHFFFAOYSA-N 0 0 343.386 4.782 50 0 EJAARN Cc1ccc(N2C(=O)c3ccccc3[C@@H]2Nc2c(C)cccc2C)nc1 ZINC000006745418 201694361 /nfs/dbraw/zinc/69/43/61/201694361.db2.gz OBJSQOJYADLRBE-OAQYLSRUSA-N 0 0 343.430 4.778 50 0 EJAARN Cc1c([C@@H](C)Nc2nc3ccccc3o2)cnn1-c1ccc(F)cc1 ZINC000051824357 214105700 /nfs/dbraw/zinc/10/57/00/214105700.db2.gz LEJURLLPFFUNJL-GFCCVEGCSA-N 0 0 336.370 4.634 50 0 EJAARN CCOc1ccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1 ZINC000004724954 210261543 /nfs/dbraw/zinc/26/15/43/210261543.db2.gz KGDRQCNRWGSAJE-UHFFFAOYSA-N 0 0 345.398 4.569 50 0 EJAARN Cc1nc(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)no1 ZINC000053223375 214170823 /nfs/dbraw/zinc/17/08/23/214170823.db2.gz RNUPLBPQUKEOPF-UHFFFAOYSA-N 0 0 348.431 4.727 50 0 EJAARN C[C@H](Sc1nncs1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000053452338 214183817 /nfs/dbraw/zinc/18/38/17/214183817.db2.gz DYDAIHGCHWGLTF-LBPRGKRZSA-N 0 0 341.461 4.644 50 0 EJAARN C[C@H](Sc1nccn1C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000053352546 214177258 /nfs/dbraw/zinc/17/72/58/214177258.db2.gz UELFDLHUNFPYDT-AWEZNQCLSA-N 0 0 337.448 4.526 50 0 EJAARN C[C@H](Sc1ncccn1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000053336845 214177607 /nfs/dbraw/zinc/17/76/07/214177607.db2.gz AWYJQGPTOCKSAV-AWEZNQCLSA-N 0 0 335.432 4.582 50 0 EJAARN CCOc1cc(C(=O)Nc2ccccc2CC)cc(Cl)c1OC ZINC000004705234 210254501 /nfs/dbraw/zinc/25/45/01/210254501.db2.gz ZUTQDWRDCVUXFA-UHFFFAOYSA-N 0 0 333.815 4.562 50 0 EJAARN Clc1cc2c(c3ncccc13)OCN(CCC1=CCCCC1)C2 ZINC000054387963 214235134 /nfs/dbraw/zinc/23/51/34/214235134.db2.gz JILMNXAWBYDPHB-UHFFFAOYSA-N 0 0 328.843 4.931 50 0 EJAARN Cc1ncc(-c2ccc(NC(=O)c3ccc(-c4cnco4)cc3)cc2)o1 ZINC000054710578 214253162 /nfs/dbraw/zinc/25/31/62/214253162.db2.gz PDCSQSMTGXPPRA-UHFFFAOYSA-N 0 0 345.358 4.557 50 0 EJAARN C[C@@H](c1ccco1)N(C)C(=O)c1ccccc1NCc1cccs1 ZINC000055226000 214290924 /nfs/dbraw/zinc/29/09/24/214290924.db2.gz XWVPSTGWJRMJIO-AWEZNQCLSA-N 0 0 340.448 4.786 50 0 EJAARN CC[C@H](C)N(Cc1ccsc1)Cc1c(Cl)nc2sccn12 ZINC000055308119 214303562 /nfs/dbraw/zinc/30/35/62/214303562.db2.gz TXWCROCSESTBCB-NSHDSACASA-N 0 0 339.917 4.911 50 0 EJAARN Cc1cccc(-c2ncc(CN[C@@H](C)c3ccccc3Cl)cn2)c1 ZINC000055371213 214313808 /nfs/dbraw/zinc/31/38/08/214313808.db2.gz MQGARODGEBRFJU-HNNXBMFYSA-N 0 0 337.854 4.956 50 0 EJAARN CCOc1cc(CN(C)[C@H](C)c2ccccn2)cc(Cl)c1OCC ZINC000055393387 214317348 /nfs/dbraw/zinc/31/73/48/214317348.db2.gz WGLOZRXPLGZCCD-CQSZACIVSA-N 0 0 348.874 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CCOC(=O)/C(=C\c1cccc(OC)c1)c1nc(C(C)C)c(C)s1 ZINC000098053105 219074429 /nfs/dbraw/zinc/07/44/29/219074429.db2.gz CTUSGVUCFGPUAE-WJDWOHSUSA-N 0 0 345.464 4.687 50 0 EJAARN C/C(=C\C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1)C1CC1 ZINC000098055042 219074454 /nfs/dbraw/zinc/07/44/54/219074454.db2.gz SVCJJUZEVLZKCP-YRNVUSSQSA-N 0 0 332.856 4.682 50 0 EJAARN Cc1cc(OCC(=O)N[C@@H](c2cccs2)C(C)C)ccc1Cl ZINC000007078621 201712327 /nfs/dbraw/zinc/71/23/27/201712327.db2.gz VQPTWBPCFHFPAV-QGZVFWFLSA-N 0 0 337.872 4.602 50 0 EJAARN Cc1cc(OCC(=O)N[C@H](c2cccs2)C(C)C)ccc1Cl ZINC000007078626 201712258 /nfs/dbraw/zinc/71/22/58/201712258.db2.gz VQPTWBPCFHFPAV-KRWDZBQOSA-N 0 0 337.872 4.602 50 0 EJAARN CCSc1ccccc1C(=O)Nc1nc2c(cccc2F)s1 ZINC000004585712 210228159 /nfs/dbraw/zinc/22/81/59/210228159.db2.gz PXGOSXFBFXENPY-UHFFFAOYSA-N 0 0 332.425 4.800 50 0 EJAARN CCSc1ccccc1C(=O)Nc1nc2ccc(F)cc2s1 ZINC000004585697 210227192 /nfs/dbraw/zinc/22/71/92/210227192.db2.gz LOWRMHKQMYFZOY-UHFFFAOYSA-N 0 0 332.425 4.800 50 0 EJAARN C[C@H](C(=O)Nc1cccc(F)c1)c1cccc(C(=O)c2ccccc2)c1 ZINC000098073287 219078917 /nfs/dbraw/zinc/07/89/17/219078917.db2.gz LZLMLHPTWOVKMX-HNNXBMFYSA-N 0 0 347.389 4.799 50 0 EJAARN COc1ccc(C2(C(=O)Nc3ccc(C)cc3F)CCCCC2)cc1 ZINC000060163220 214629392 /nfs/dbraw/zinc/62/93/92/214629392.db2.gz VFQKZFPZKLEIRO-UHFFFAOYSA-N 0 0 341.426 4.983 50 0 EJAARN CC(C)(C)C[C@H]1CCCN1C(=O)c1csc(-c2ccccc2)n1 ZINC000060239536 214630453 /nfs/dbraw/zinc/63/04/53/214630453.db2.gz AMGHRYIENPFSJG-OAHLLOKOSA-N 0 0 328.481 4.851 50 0 EJAARN CCOc1ccccc1[C@H]1Nc2sc3c(c2C(=O)N1)CC[C@@H](C)C3 ZINC000004571624 210225274 /nfs/dbraw/zinc/22/52/74/210225274.db2.gz OJHIAYJMXSPZDW-PIGZYNQJSA-N 0 0 342.464 4.701 50 0 EJAARN CCOc1ccccc1[C@H]1Nc2sc3c(c2C(=O)N1)CC[C@H](C)C3 ZINC000004571629 210225374 /nfs/dbraw/zinc/22/53/74/210225374.db2.gz OJHIAYJMXSPZDW-APPDUMDISA-N 0 0 342.464 4.701 50 0 EJAARN O=C(Cc1nc(-c2ccc3c(c2)CCCC3)cs1)Nc1ccccc1 ZINC000060943038 214651682 /nfs/dbraw/zinc/65/16/82/214651682.db2.gz 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214820640 /nfs/dbraw/zinc/82/06/40/214820640.db2.gz QYHAEQYQYKQDRF-QGZVFWFLSA-N 0 0 327.428 4.729 50 0 EJAARN Cc1nnc(S[C@H](C(=O)c2ccccc2)c2ccccc2)n1C1CC1 ZINC000007617360 201724111 /nfs/dbraw/zinc/72/41/11/201724111.db2.gz KJGMITYIPFWJMZ-IBGZPJMESA-N 0 0 349.459 4.638 50 0 EJAARN CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NC(=O)c1c(Cl)cccc1Cl ZINC000004343340 210175678 /nfs/dbraw/zinc/17/56/78/210175678.db2.gz UJEZDQXZFCYVMC-UDTVLSCZSA-N 0 0 326.267 4.938 50 0 EJAARN CC[C@H](C)Nc1cc(C)nc2c(-c3ccccc3Cl)c(C)nn21 ZINC000007636189 201724352 /nfs/dbraw/zinc/72/43/52/201724352.db2.gz CWCMZOFKEPVIHM-NSHDSACASA-N 0 0 328.847 4.877 50 0 EJAARN COC(=O)c1cc(OCc2ccc(C)cc2)c2cc(Cl)ccc2n1 ZINC000065033426 214824205 /nfs/dbraw/zinc/82/42/05/214824205.db2.gz LHZBRUZULSGLTI-UHFFFAOYSA-N 0 0 341.794 4.562 50 0 EJAARN CCc1ccc2nc(C(=O)OC)cc(Nc3cccc(Cl)c3)c2c1 ZINC000065033744 214824828 /nfs/dbraw/zinc/82/48/28/214824828.db2.gz MAUBGDCBMIGHGY-UHFFFAOYSA-N 0 0 340.810 4.981 50 0 EJAARN CC[C@@H](C)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000004320231 210170067 /nfs/dbraw/zinc/17/00/67/210170067.db2.gz DCVJWVCDQNLFAZ-SJORKVTESA-N 0 0 347.462 4.603 50 0 EJAARN CC(C)[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000004309631 210166592 /nfs/dbraw/zinc/16/65/92/210166592.db2.gz NPPONDPRBOWTBX-PKOBYXMFSA-N 0 0 326.827 4.866 50 0 EJAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000004300880 210163454 /nfs/dbraw/zinc/16/34/54/210163454.db2.gz JZLMMQSLSDGJJE-DAXOMENPSA-N 0 0 327.390 4.896 50 0 EJAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000004300882 210164077 /nfs/dbraw/zinc/16/40/77/210164077.db2.gz JZLMMQSLSDGJJE-UHOFOFEASA-N 0 0 327.390 4.896 50 0 EJAARN COc1cc(C=O)ccc1OC(=O)N(c1ccccc1)c1ccccc1 ZINC000004294172 210162673 /nfs/dbraw/zinc/16/26/73/210162673.db2.gz WGIOJTZTNRCUDV-UHFFFAOYSA-N 0 0 347.370 4.845 50 0 EJAARN C[C@H]1c2cccn2CCN1Cc1csc(-c2ccccc2Cl)n1 ZINC000048345394 213926652 /nfs/dbraw/zinc/92/66/52/213926652.db2.gz 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CC(C)Sc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 ZINC000003432845 210037669 /nfs/dbraw/zinc/03/76/69/210037669.db2.gz DJKNGAIIYCVSMM-UHFFFAOYSA-N 0 0 330.840 4.540 50 0 EJAARN c1cc2c(ncnc2SCc2ncc(-c3ccccc3)o2)s1 ZINC000003444942 210042079 /nfs/dbraw/zinc/04/20/79/210042079.db2.gz IAAOEYCSJTZNIK-UHFFFAOYSA-N 0 0 325.418 4.639 50 0 EJAARN Cc1ccc(NC(=S)Nc2ccc(F)c(F)c2F)cc1Cl ZINC000003444539 210041803 /nfs/dbraw/zinc/04/18/03/210041803.db2.gz YKAMXFNJKWCCHV-UHFFFAOYSA-N 0 0 330.762 4.875 50 0 EJAARN C[C@H](OC(=O)c1cc(F)cc(F)c1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000003422259 210034213 /nfs/dbraw/zinc/03/42/13/210034213.db2.gz LSYSKSDFGIUWOW-LBPRGKRZSA-N 0 0 346.373 4.691 50 0 EJAARN Cc1nc(C(F)(F)F)ccc1NC(=O)Nc1ccc(Cl)cc1 ZINC000044676307 213640666 /nfs/dbraw/zinc/64/06/66/213640666.db2.gz SCGIYLHCNCYNMT-UHFFFAOYSA-N 0 0 329.709 4.706 50 0 EJAARN O=C(CSc1nc2ccc(Cl)cc2o1)c1c[nH]c2ccccc21 ZINC000003407156 210030169 /nfs/dbraw/zinc/03/01/69/210030169.db2.gz KNQBODVKAALICO-UHFFFAOYSA-N 0 0 342.807 4.938 50 0 EJAARN COc1ccccc1-c1nnc(SCC(C)C)n1-c1ccccc1 ZINC000003401627 210028848 /nfs/dbraw/zinc/02/88/48/210028848.db2.gz XXDXPCNTPNFHSA-UHFFFAOYSA-N 0 0 339.464 4.691 50 0 EJAARN CC(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)c(C)c2)cc1 ZINC000003402910 210028196 /nfs/dbraw/zinc/02/81/96/210028196.db2.gz NGMUVTZANMFZTA-UHFFFAOYSA-N 0 0 345.826 4.649 50 0 EJAARN c1ccc(CC2CCN(c3ncnc4c5ccccc5oc43)CC2)cc1 ZINC000003378858 210023022 /nfs/dbraw/zinc/02/30/22/210023022.db2.gz MKIMINMDDGHNRI-UHFFFAOYSA-N 0 0 343.430 4.835 50 0 EJAARN CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(NC(C)=O)cc1 ZINC000003378861 210022293 /nfs/dbraw/zinc/02/22/93/210022293.db2.gz GUAWEUCXGIZLFH-UHFFFAOYSA-N 0 0 344.842 4.676 50 0 EJAARN O=C(CSc1ccc2ccccc2c1)Nc1c(F)cccc1F ZINC000003382564 210023729 /nfs/dbraw/zinc/02/37/29/210023729.db2.gz GHDKUGWVDJBUKD-UHFFFAOYSA-N 0 0 329.371 4.849 50 0 EJAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3CC(C)C)cc1 ZINC000102754887 219227102 /nfs/dbraw/zinc/22/71/02/219227102.db2.gz PBZXUXBYDBXDLZ-TZIWHRDSSA-N 0 0 336.435 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337.322 4.822 50 0 EJAARN Cc1nc(CNC(=O)c2sc3cc(C)ccc3c2Cl)cs1 ZINC000015832302 201965510 /nfs/dbraw/zinc/96/55/10/201965510.db2.gz KHTITMDVEZUZPI-UHFFFAOYSA-N 0 0 336.869 4.558 50 0 EJAARN CCCCCCN(C(=O)Nc1ccc(Cl)cc1)C1=NCCS1 ZINC000003227240 209982648 /nfs/dbraw/zinc/98/26/48/209982648.db2.gz QVAYGNZVBOAZNQ-UHFFFAOYSA-N 0 0 339.892 4.857 50 0 EJAARN O=C(Nc1ccc(SC(F)F)cc1)N1CCC[C@H]1c1ccncc1 ZINC000043118813 213561330 /nfs/dbraw/zinc/56/13/30/213561330.db2.gz PJYXCTYKZHXQRL-HNNXBMFYSA-N 0 0 349.406 4.765 50 0 EJAARN CCCCOc1ccc(NC(=O)c2cccc(C)c2)c2cccnc12 ZINC000015841054 201966452 /nfs/dbraw/zinc/96/64/52/201966452.db2.gz AXPQEKJQCSFFLC-UHFFFAOYSA-N 0 0 334.419 4.974 50 0 EJAARN COc1ccc(NC(=O)c2cccc3ccccc32)c2cccnc12 ZINC000015840643 201966534 /nfs/dbraw/zinc/96/65/34/201966534.db2.gz NUFXPVDPVZVPFU-UHFFFAOYSA-N 0 0 328.371 4.649 50 0 EJAARN Cc1ccccc1OCC(=O)Nc1ccccc1Nc1ccccc1 ZINC000003190357 209974654 /nfs/dbraw/zinc/97/46/54/209974654.db2.gz NCZIFMISEHHNFE-UHFFFAOYSA-N 0 0 332.403 4.756 50 0 EJAARN Cc1ccccc1NC(=O)COc1ccc(Oc2ccccc2)cc1 ZINC000003189481 209974452 /nfs/dbraw/zinc/97/44/52/209974452.db2.gz TXHIGDPENROFDV-UHFFFAOYSA-N 0 0 333.387 4.805 50 0 EJAARN COc1cccc2sc(NC(=O)c3ccc(C(C)(C)C)cc3)nc21 ZINC000003176837 209973369 /nfs/dbraw/zinc/97/33/69/209973369.db2.gz UZBXUIAVRWHMEQ-UHFFFAOYSA-N 0 0 340.448 4.855 50 0 EJAARN O=C(c1cc2ccccc2[nH]1)N1CCCC[C@@H]1CCc1ccc(O)cc1 ZINC000067674904 215181679 /nfs/dbraw/zinc/18/16/79/215181679.db2.gz YIAPODMEXATZOP-GOSISDBHSA-N 0 0 348.446 4.501 50 0 EJAARN CCCCNC(=O)c1cc(-c2ccc(OCC)cc2)nc2ccccc21 ZINC000003045015 209957546 /nfs/dbraw/zinc/95/75/46/209957546.db2.gz HHWAPDVUDYJICZ-UHFFFAOYSA-N 0 0 348.446 4.830 50 0 EJAARN O=C(Nc1c(F)cccc1F)N(Cc1ccsc1)Cc1ccco1 ZINC000042382105 213500122 /nfs/dbraw/zinc/50/01/22/213500122.db2.gz DMTQMNPKZZVNRP-UHFFFAOYSA-N 0 0 348.374 4.854 50 0 EJAARN O=C(CCSc1ccccc1)Nc1nc(-c2ccccc2)cs1 ZINC000002877416 209934694 /nfs/dbraw/zinc/93/46/94/209934694.db2.gz IOPWHJYLSFHLKH-UHFFFAOYSA-N 0 0 340.473 4.931 50 0 EJAARN Cc1cccc(-c2noc(COc3ccc(Cl)cc3Cl)n2)c1 ZINC000002834202 209924963 /nfs/dbraw/zinc/92/49/63/209924963.db2.gz GDXMJLNGSNKLLE-UHFFFAOYSA-N 0 0 335.190 4.931 50 0 EJAARN O=C(NCc1ccccc1C(F)(F)F)Nc1cccc(Cl)c1 ZINC000002761547 209905065 /nfs/dbraw/zinc/90/50/65/209905065.db2.gz LQXVSXBSKDOJCR-UHFFFAOYSA-N 0 0 328.721 4.681 50 0 EJAARN O=C(c1ccc(COc2cccc3ccccc32)cc1)N1CCCC1 ZINC000002750672 209901849 /nfs/dbraw/zinc/90/18/49/209901849.db2.gz NTUXGYBAEZZFPM-UHFFFAOYSA-N 0 0 331.415 4.655 50 0 EJAARN CC[C@@H](Oc1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000002749188 209902103 /nfs/dbraw/zinc/90/21/03/209902103.db2.gz GFFLPXHEKKSOEU-OAQYLSRUSA-N 0 0 345.442 4.750 50 0 EJAARN CC[C@@H](C)c1ccc([C@H](CC)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1 ZINC000002733153 209898178 /nfs/dbraw/zinc/89/81/78/209898178.db2.gz WKKACERQTVEMHY-OAOYMFHYSA-N 0 0 327.468 4.826 50 0 EJAARN CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(C)c3ncccc23)cc1 ZINC000041157625 213427974 /nfs/dbraw/zinc/42/79/74/213427974.db2.gz SEWSMGAYZHEIMZ-HNNXBMFYSA-N 0 0 334.419 4.512 50 0 EJAARN O=C(/C=C/c1cccs1)Nc1ccccc1C(=O)c1ccccc1 ZINC000002708285 209892729 /nfs/dbraw/zinc/89/27/29/209892729.db2.gz SDRZLFWHMBZDMC-OUKQBFOZSA-N 0 0 333.412 4.631 50 0 EJAARN CCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000002666383 209888366 /nfs/dbraw/zinc/88/83/66/209888366.db2.gz VIANCYOJQZIWAX-QGZVFWFLSA-N 0 0 347.462 4.747 50 0 EJAARN CC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2-c2ccccc2)c1C ZINC000002657593 209887160 /nfs/dbraw/zinc/88/71/60/209887160.db2.gz QKDQYZBXSFOKKH-UHFFFAOYSA-N 0 0 332.403 4.753 50 0 EJAARN C[C@@H]1CCc2c(sc3ncnc(OCc4ccccc4F)c32)C1 ZINC000002640078 209881353 /nfs/dbraw/zinc/88/13/53/209881353.db2.gz OMWXUUIDICARNA-LLVKDONJSA-N 0 0 328.412 4.534 50 0 EJAARN c1ccc(-c2noc(COc3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000002631284 209878597 /nfs/dbraw/zinc/87/85/97/209878597.db2.gz BROFAXNNXDKMAE-UHFFFAOYSA-N 0 0 328.371 4.983 50 0 EJAARN Nc1nc(-c2ccc(-c3ccc(Br)cc3)cc2)cs1 ZINC000002574050 209869746 /nfs/dbraw/zinc/86/97/46/209869746.db2.gz LOWLBQYVCRNFPN-UHFFFAOYSA-N 0 0 331.238 4.822 50 0 EJAARN CC1(C)COC(CCCCC(=O)c2cccc(C(F)(F)F)c2)OC1 ZINC000002518073 209861839 /nfs/dbraw/zinc/86/18/39/209861839.db2.gz QKVDLOTUTSFJSW-UHFFFAOYSA-N 0 0 344.373 4.848 50 0 EJAARN CCN(CC)c1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1 ZINC000002510885 209860641 /nfs/dbraw/zinc/86/06/41/209860641.db2.gz SDKNOCWKOGQYBO-UHFFFAOYSA-N 0 0 327.811 4.960 50 0 EJAARN O=C(CCNc1ccc2c(c1)OCO2)c1ccc(-c2ccccc2)cc1 ZINC000002522044 209864212 /nfs/dbraw/zinc/86/42/12/209864212.db2.gz KOGYDZOKSCKNCX-UHFFFAOYSA-N 0 0 345.398 4.767 50 0 EJAARN Cc1cc(C)cc(Nc2ncc3c(n2)C[C@H](c2cccs2)CC3=O)c1 ZINC000002429889 209848689 /nfs/dbraw/zinc/84/86/89/209848689.db2.gz KWCPACIPDLOVAU-AWEZNQCLSA-N 0 0 349.459 4.811 50 0 EJAARN Cc1cccc(-n2ncc3c2ncnc3Nc2ccc(Cl)cc2)c1 ZINC000002310410 209839803 /nfs/dbraw/zinc/83/98/03/209839803.db2.gz ZVXAXIZRXDEXBB-UHFFFAOYSA-N 0 0 335.798 4.521 50 0 EJAARN CC1C(=O)C2=CCC=C[C@@H]2[C@](O)(c2ccccc2)[C@@H]1c1ccccc1 ZINC000104252650 219365639 /nfs/dbraw/zinc/36/56/39/219365639.db2.gz ZCHJZBGEFBTBLF-BESBDSHLSA-N 0 0 330.427 4.862 50 0 EJAARN Cn1c(SCc2cccc(F)c2)nnc1-c1cccc(Cl)c1 ZINC000002239587 209833942 /nfs/dbraw/zinc/83/39/42/209833942.db2.gz BVVKRXYFQPEMLI-UHFFFAOYSA-N 0 0 333.819 4.567 50 0 EJAARN O=C(Nc1cccc(C(F)(F)F)c1)Oc1cccc2cccnc21 ZINC000002164680 209826263 /nfs/dbraw/zinc/82/62/63/209826263.db2.gz FNCZRSHUQASZJD-UHFFFAOYSA-N 0 0 332.281 4.865 50 0 EJAARN Cc1cccc(NC(=O)COc2ccc(-c3ccccc3)cc2)c1C ZINC000002131911 209822332 /nfs/dbraw/zinc/82/23/32/209822332.db2.gz DMFVUWURXHRNST-UHFFFAOYSA-N 0 0 331.415 4.988 50 0 EJAARN CCCCc1cc(=O)oc2c1ccc1c2CN(c2ccccc2C)CO1 ZINC000002113128 209820572 /nfs/dbraw/zinc/82/05/72/209820572.db2.gz JSFDMVJXWWTAQF-UHFFFAOYSA-N 0 0 349.430 4.801 50 0 biogenic EJAARN CCCCCCc1c(C)c2ccc(O[C@@H](C)C(C)=O)c(C)c2oc1=O ZINC000002119170 209820287 /nfs/dbraw/zinc/82/02/87/209820287.db2.gz ZFDUTRJBZBAOEO-INIZCTEOSA-N 0 0 344.451 4.889 50 0 biogenic EJAARN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N(C)[C@H](C)c1ccco1 ZINC000069103838 215359998 /nfs/dbraw/zinc/35/99/98/215359998.db2.gz BCGFFWGPJJKDSV-UKRRQHHQSA-N 0 0 330.428 4.597 50 0 EJAARN CCCOc1ccc(-c2nc3ccccc3c(N(CC)CC)n2)cc1 ZINC000001822356 209797272 /nfs/dbraw/zinc/79/72/72/209797272.db2.gz TYAMZBWDFBINGV-UHFFFAOYSA-N 0 0 335.451 4.932 50 0 EJAARN Cc1cccc(C)c1NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000040478254 213314469 /nfs/dbraw/zinc/31/44/69/213314469.db2.gz GPEMVHZNQCUPJS-UHFFFAOYSA-N 0 0 325.799 4.599 50 0 EJAARN CCCCc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1 ZINC000040478320 213313999 /nfs/dbraw/zinc/31/39/99/213313999.db2.gz AKYGWWUHBQRTHT-UHFFFAOYSA-N 0 0 337.398 4.811 50 0 EJAARN CSc1ccc(CN(C)C(=O)c2cc(C)nc3ccccc32)cc1 ZINC000017972279 201992689 /nfs/dbraw/zinc/99/26/89/201992689.db2.gz IAPSVHSYXHQXRD-UHFFFAOYSA-N 0 0 336.460 4.537 50 0 EJAARN COc1cccc([C@H]2CC(=O)Nc3c(-c4ccccc4)nsc32)c1 ZINC000040266814 213285806 /nfs/dbraw/zinc/28/58/06/213285806.db2.gz KSZMBDAXVJRCIC-OAHLLOKOSA-N 0 0 336.416 4.942 50 0 EJAARN CCOc1ccc(C(=O)Nc2nc3c(cc(C)cc3C)s2)cc1 ZINC000001516440 209756571 /nfs/dbraw/zinc/75/65/71/209756571.db2.gz PKTWKLAGDIQNFZ-UHFFFAOYSA-N 0 0 326.421 4.564 50 0 EJAARN Cc1cc2nc(NC(=S)NCc3ccc(F)cc3)sc2cc1C ZINC000018198391 201994126 /nfs/dbraw/zinc/99/41/26/201994126.db2.gz RWXKJWWVVPXWEQ-UHFFFAOYSA-N 0 0 345.468 4.539 50 0 EJAARN COc1cc(C)c(NC(=O)N[C@H](C)c2cccc(Cl)c2)cc1OC ZINC000040103462 213265107 /nfs/dbraw/zinc/26/51/07/213265107.db2.gz WQOWIULAJKXRGQ-GFCCVEGCSA-N 0 0 348.830 4.548 50 0 EJAARN Cc1cc(Br)ccc1NC(=O)N(C)C1CCCCC1 ZINC000040103646 213264604 /nfs/dbraw/zinc/26/46/04/213264604.db2.gz LRBVBEVGUREJFQ-UHFFFAOYSA-N 0 0 325.250 4.554 50 0 EJAARN COCc1cccc(NC(=O)N[C@H](c2cccs2)C2CCCC2)c1 ZINC000040104951 213264473 /nfs/dbraw/zinc/26/44/73/213264473.db2.gz LLUKEBFHTSTJID-SFHVURJKSA-N 0 0 344.480 4.948 50 0 EJAARN O=C(Nc1cccc(Cl)c1Cl)N1CCC[C@H](C(F)(F)F)C1 ZINC000040097560 213263422 /nfs/dbraw/zinc/26/34/22/213263422.db2.gz HEVCLSUROIJJRA-QMMMGPOBSA-N 0 0 341.160 4.800 50 0 EJAARN C[C@H]1Cc2ccccc2N1C(=O)c1cc(-c2ccccc2Cl)on1 ZINC000040086719 213260629 /nfs/dbraw/zinc/26/06/29/213260629.db2.gz HDFXLTHKUAMFBG-LBPRGKRZSA-N 0 0 338.794 4.586 50 0 EJAARN O=C(Nc1ncc(-c2ccccc2)s1)c1cc(Cl)ccc1F ZINC000040087536 213260413 /nfs/dbraw/zinc/26/04/13/213260413.db2.gz ZKLOOTBSZFONFY-UHFFFAOYSA-N 0 0 332.787 4.855 50 0 EJAARN Cc1cc(C(=O)N(C)c2nccs2)sc1-c1ccc(F)cc1 ZINC000069582271 215483693 /nfs/dbraw/zinc/48/36/93/215483693.db2.gz QHXOFQMVVSDXPT-UHFFFAOYSA-N 0 0 332.425 4.596 50 0 EJAARN Cc1cc2cc(NC(=O)COc3ccccc3C(F)(F)F)ccc2[nH]1 ZINC000040081348 213259110 /nfs/dbraw/zinc/25/91/10/213259110.db2.gz KZIQKFUIDWNXPE-UHFFFAOYSA-N 0 0 348.324 4.513 50 0 EJAARN Clc1ccccc1Cn1ccc(-c2cccc(-c3cncnc3)c2)n1 ZINC000019227517 202001672 /nfs/dbraw/zinc/00/16/72/202001672.db2.gz KJESVKQXHCLHKO-UHFFFAOYSA-N 0 0 346.821 4.709 50 0 EJAARN C/C=C/c1ccc(OCc2noc(-c3ccc(C)cc3)n2)c(OC)c1 ZINC000040051532 213255833 /nfs/dbraw/zinc/25/58/33/213255833.db2.gz ONPHZEHLYVFXHX-SNAWJCMRSA-N 0 0 336.391 4.666 50 0 EJAARN FC(F)(F)c1ccccc1CN1CCc2c3ccccc3[nH]c2C1 ZINC000019595083 202015337 /nfs/dbraw/zinc/01/53/37/202015337.db2.gz NDKFQDKVPSXHNT-UHFFFAOYSA-N 0 0 330.353 4.745 50 0 EJAARN COc1ccc([C@@H]2CCCN2C(=O)CCC2CCCCC2)cc1OC ZINC000040042748 213253765 /nfs/dbraw/zinc/25/37/65/213253765.db2.gz YFAHCGADUMCRCK-SFHVURJKSA-N 0 0 345.483 4.728 50 0 EJAARN COc1ccc([C@@H]2CCCN2C(=O)CCC2CCCCC2)c(OC)c1 ZINC000040009664 213250126 /nfs/dbraw/zinc/25/01/26/213250126.db2.gz NPCIPMATLJCZIS-IBGZPJMESA-N 0 0 345.483 4.728 50 0 EJAARN COc1ccc2occ(CC(=O)Nc3ccc4ccccc4c3)c2c1 ZINC000039882416 213244088 /nfs/dbraw/zinc/24/40/88/213244088.db2.gz XZNXUXJIKBAAMG-UHFFFAOYSA-N 0 0 331.371 4.776 50 0 EJAARN Cc1cc2occ(CC(=O)NCc3ccccc3)c2c(C)c1Cl ZINC000039892948 213244161 /nfs/dbraw/zinc/24/41/61/213244161.db2.gz BHEGCGMYDUXLEL-UHFFFAOYSA-N 0 0 327.811 4.562 50 0 EJAARN O=C(NCc1ccc(-n2cccc2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000001426635 209746286 /nfs/dbraw/zinc/74/62/86/209746286.db2.gz ASVQMGONRMMRFO-UHFFFAOYSA-N 0 0 345.229 4.714 50 0 EJAARN Cc1ccc2c(c1)-c1nc(SCC(=O)C(C)(C)C)ncc1CS2 ZINC000001403616 209741391 /nfs/dbraw/zinc/74/13/91/209741391.db2.gz MLGPYZSMZXUHQZ-UHFFFAOYSA-N 0 0 344.505 4.765 50 0 EJAARN Cc1ccc(/C=C/C2=NN(Cc3ccccc3Cl)C(=O)CC2)cc1 ZINC000001383020 209732406 /nfs/dbraw/zinc/73/24/06/209732406.db2.gz ZFEZVADMEJNJRQ-ZHACJKMWSA-N 0 0 338.838 4.840 50 0 EJAARN Cc1cccc(N(O)[C@]2(C)CC(C)(C)N(c3cccc(C)c3)O2)c1 ZINC000001138324 209713272 /nfs/dbraw/zinc/71/32/72/209713272.db2.gz UIMJCFNSSCXJGT-FQEVSTJZSA-N 0 0 326.440 4.836 50 0 EJAARN COc1ccc([C@H](CC(C)C)NC(=O)c2ccccc2Cl)cc1 ZINC000038756414 213224629 /nfs/dbraw/zinc/22/46/29/213224629.db2.gz QBNWWNYKVSEWEQ-SFHVURJKSA-N 0 0 331.843 4.866 50 0 EJAARN CCOc1cc([C@H]2Nc3ccccc3C(CC)(CC)O2)ccc1O ZINC000001070436 209706934 /nfs/dbraw/zinc/70/69/34/209706934.db2.gz PEZZIPUWNQQLKD-IBGZPJMESA-N 0 0 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IKUBGVRRSNYTNS-UHFFFAOYSA-N 0 0 348.859 4.596 50 0 EJAARN CCn1c(SCc2ccccc2)nnc1-c1cccc(Cl)c1 ZINC000000574185 209670233 /nfs/dbraw/zinc/67/02/33/209670233.db2.gz NRIHZVFNOAMYFY-UHFFFAOYSA-N 0 0 329.856 4.911 50 0 EJAARN CCCCOc1ccc(-c2cc3c(SCC)nccn3n2)cc1 ZINC000038486618 213210501 /nfs/dbraw/zinc/21/05/01/213210501.db2.gz RGDFTKYMCPTUTG-UHFFFAOYSA-N 0 0 327.453 4.687 50 0 EJAARN Cc1ccc([C@H](CC(=O)N2CCCCC2)c2ccccc2)c(O)c1C ZINC000000527970 209649011 /nfs/dbraw/zinc/64/90/11/209649011.db2.gz ULGZKYACZNIZIH-HXUWFJFHSA-N 0 0 337.463 4.544 50 0 EJAARN Fc1ccc(-c2csc(NC(=S)Nc3ccccc3)n2)cc1 ZINC000000521848 209644332 /nfs/dbraw/zinc/64/43/32/209644332.db2.gz PLIZLGBKUVWUEA-UHFFFAOYSA-N 0 0 329.425 4.758 50 0 EJAARN COC(=O)c1cnc(Nc2ccc(C)cc2Cl)c2ccccc12 ZINC000021650066 202067092 /nfs/dbraw/zinc/06/70/92/202067092.db2.gz HFCZAOOYEPHXNF-UHFFFAOYSA-N 0 0 326.783 4.727 50 0 EJAARN CC[C@H]1c2ccc(C)n2CCN1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000020900301 202056988 /nfs/dbraw/zinc/05/69/88/202056988.db2.gz 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/nfs/dbraw/zinc/19/69/88/216196988.db2.gz HJJGDINZESMMKU-UHFFFAOYSA-N 0 0 327.453 4.640 50 0 EJAARN Clc1ccc(-c2csc3ncnc(NC[C@@H]4CCCO4)c23)cc1 ZINC000000145092 209449623 /nfs/dbraw/zinc/44/96/23/209449623.db2.gz CUEDGOGQJKBMNF-ZDUSSCGKSA-N 0 0 345.855 4.603 50 0 EJAARN CC(=O)NCc1c(Cl)cccc1Sc1ccc(Cl)cc1 ZINC000000142967 209448085 /nfs/dbraw/zinc/44/80/85/209448085.db2.gz BXDQTJOOVZLECZ-UHFFFAOYSA-N 0 0 326.248 4.781 50 0 EJAARN CCOC(=O)[C@@H](c1ccccc1)[C@@H](Nc1ccccc1)c1ccccn1 ZINC000000138259 209444849 /nfs/dbraw/zinc/44/48/49/209444849.db2.gz IONRWHILWJCPNA-SFTDATJTSA-N 0 0 346.430 4.582 50 0 EJAARN Cc1nn(C(=O)c2cccs2)c(C)c1Cc1c(F)cccc1Cl ZINC000000139994 209444512 /nfs/dbraw/zinc/44/45/12/209444512.db2.gz JFEUAVGYUNAVNW-UHFFFAOYSA-N 0 0 348.830 4.633 50 0 EJAARN Cc1c2ccccc2oc1C(=O)Nc1ccccc1Br ZINC000000136454 209443111 /nfs/dbraw/zinc/44/31/11/209443111.db2.gz ROXINEAIVFXGKE-UHFFFAOYSA-N 0 0 330.181 4.756 50 0 EJAARN O=C(O[C@H](c1ccccc1)c1nccc2ccccc21)c1ccco1 ZINC000000135035 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ZINC000000116530 209431883 /nfs/dbraw/zinc/43/18/83/209431883.db2.gz PGYPNBFPZZMWEQ-UHFFFAOYSA-N 0 0 331.415 4.988 50 0 EJAARN CCCc1ccc(OCc2ccc(C(=O)NC3CCCCC3)o2)cc1 ZINC000000115520 209430509 /nfs/dbraw/zinc/43/05/09/209430509.db2.gz NQZGZNZJODNLND-UHFFFAOYSA-N 0 0 341.451 4.874 50 0 EJAARN O=C(c1cc(-c2ccccc2)c(C(F)(F)F)s1)N1CCCC1 ZINC000000108688 209426864 /nfs/dbraw/zinc/42/68/64/209426864.db2.gz ISYCGCNWSRFJKQ-UHFFFAOYSA-N 0 0 325.355 4.670 50 0 EJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(F)c(F)c1 ZINC000000079202 209405572 /nfs/dbraw/zinc/40/55/72/209405572.db2.gz GVBXRAKCHUOZPT-UHFFFAOYSA-N 0 0 348.736 4.834 50 0 EJAARN CN(Cc1csc(-c2cccs2)n1)C(=O)CCc1ccsc1 ZINC000072419263 216207510 /nfs/dbraw/zinc/20/75/10/216207510.db2.gz WXYOMGWFTIODTK-UHFFFAOYSA-N 0 0 348.518 4.524 50 0 EJAARN COc1ccc(C(=O)CSc2cc(C)c3ccccc3n2)cc1C ZINC000000076442 209403725 /nfs/dbraw/zinc/40/37/25/209403725.db2.gz IZFKJWAFMXDBFR-UHFFFAOYSA-N 0 0 337.444 4.835 50 0 EJAARN O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccc(Cl)cc1 ZINC000000090410 209413722 /nfs/dbraw/zinc/41/37/22/209413722.db2.gz NLEXBLJPTZVTNN-UHFFFAOYSA-N 0 0 349.777 4.796 50 0 EJAARN COc1ccc(Oc2ncccc2NC(=O)c2cccc(C)c2C)cc1 ZINC000000083892 209408053 /nfs/dbraw/zinc/40/80/53/209408053.db2.gz PNVXRXBEFATAQV-UHFFFAOYSA-N 0 0 348.402 4.752 50 0 EJAARN Fc1ccc(-c2csc3ncnc(NCc4cccnc4)c23)cc1 ZINC000000083797 209407879 /nfs/dbraw/zinc/40/78/79/209407879.db2.gz ZOZYMGVYOPMWAF-UHFFFAOYSA-N 0 0 336.395 4.505 50 0 EJAARN CC(=O)Nc1cc(-c2ccc(C)cc2)nn1Cc1cccc(Cl)c1 ZINC000000063527 209396122 /nfs/dbraw/zinc/39/61/22/209396122.db2.gz QNVALTVPXNPQFK-UHFFFAOYSA-N 0 0 339.826 4.519 50 0 EJAARN COc1ccc2oc(=O)c(-c3ccc(Br)cc3)c(C)c2c1 ZINC000000057780 209393520 /nfs/dbraw/zinc/39/35/20/209393520.db2.gz PIQLFKYAXQZJLI-UHFFFAOYSA-N 0 0 345.192 4.540 50 0 EJAARN COc1ccc(-c2c(C)c3cc(Cl)c(C)cc3oc2=O)cc1OC ZINC000000057778 209392823 /nfs/dbraw/zinc/39/28/23/209392823.db2.gz MKCZKPFUWWZDMG-UHFFFAOYSA-N 0 0 344.794 4.747 50 0 EJAARN Cc1cccc(OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 ZINC000000054638 209392828 /nfs/dbraw/zinc/39/28/28/209392828.db2.gz BOOIWXQTFCJOSH-UHFFFAOYSA-N 0 0 344.625 4.973 50 0 EJAARN Clc1ccc([C@@H](OCC[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000000057251 209392901 /nfs/dbraw/zinc/39/29/01/209392901.db2.gz FLNXBVJLPJNOSI-FQEVSTJZSA-N 0 0 329.871 4.932 50 0 world EJAARN CCOC(=O)c1c2cc(OC(=O)CC)ccc2oc1-c1ccccc1 ZINC000000044945 209388525 /nfs/dbraw/zinc/38/85/25/209388525.db2.gz MNOMTXPHLCDQCV-UHFFFAOYSA-N 0 0 338.359 4.592 50 0 biogenic EJAARN CC(C)c1ccccc1NC(=O)COc1ccc(Br)cc1 ZINC000000043955 209386564 /nfs/dbraw/zinc/38/65/64/209386564.db2.gz GHKWFHXEZAWWQO-UHFFFAOYSA-N 0 0 348.240 4.590 50 0 EJAARN CCn1c2ccccc2c2cc(NC(=O)c3cc(C(C)=O)c[nH]3)ccc21 ZINC000028197141 212603350 /nfs/dbraw/zinc/60/33/50/212603350.db2.gz FOYNDILBXPWKJL-UHFFFAOYSA-N 0 0 345.402 4.597 50 0 EJAARN O=C(Nc1cc(-c2ccccc2)no1)c1ccc(Cl)cc1Cl ZINC000027664398 212571800 /nfs/dbraw/zinc/57/18/00/212571800.db2.gz CIPNTJOFFQSPQZ-UHFFFAOYSA-N 0 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JZJILOQWCMFREO-IBGZPJMESA-N 0 0 336.822 4.563 50 0 EJAARN O=c1cc(-c2ccc(Cl)cc2)oc2ccc(Br)cc12 ZINC000000058084 201358214 /nfs/dbraw/zinc/35/82/14/201358214.db2.gz UWEJUZJFROHCGO-UHFFFAOYSA-N 0 0 335.584 4.876 50 0 EJAARN Cc1nc2cc(N[C@@H](C)C(=O)Nc3ccccc3C(C)C)ccc2o1 ZINC000024927616 212447983 /nfs/dbraw/zinc/44/79/83/212447983.db2.gz QFGIXBHNQMHFNL-ZDUSSCGKSA-N 0 0 337.423 4.699 50 0 EJAARN Cc1cccc(-c2csc3c2ncn(Cc2ccccc2C)c3=O)c1 ZINC000044166750 202518760 /nfs/dbraw/zinc/51/87/60/202518760.db2.gz KMKUOASIGWLRIX-UHFFFAOYSA-N 0 0 346.455 4.790 50 0 EJAARN Cc1nc2cc(Cl)ccc2cc1C(=O)N1c2ccccc2C[C@H]1C ZINC000024860612 212444548 /nfs/dbraw/zinc/44/45/48/212444548.db2.gz OHYLBHMGEIDACF-GFCCVEGCSA-N 0 0 336.822 4.788 50 0 EJAARN Fc1ccc(OCc2coc(-c3ccccc3)n2)c(Br)c1 ZINC000024725414 212435930 /nfs/dbraw/zinc/43/59/30/212435930.db2.gz JHGYVWNDLWVZLL-UHFFFAOYSA-N 0 0 348.171 4.822 50 0 EJAARN Cc1cc(C(=O)N2CCCSc3ccccc32)c2ccccc2n1 ZINC000024049974 212405865 /nfs/dbraw/zinc/40/58/65/212405865.db2.gz MOUNBSAPBHMNSH-UHFFFAOYSA-N 0 0 334.444 4.686 50 0 EJAARN C[C@@H](NC(=O)CCc1ccccc1O)c1ccc(Cl)cc1Cl ZINC000023555685 212383416 /nfs/dbraw/zinc/38/34/16/212383416.db2.gz ZIRDYTBQWRYTMP-LLVKDONJSA-N 0 0 338.234 4.509 50 0 EJAARN C[C@H](NC(=O)CCc1ccccc1O)c1ccc(Cl)cc1Cl ZINC000023555689 212383496 /nfs/dbraw/zinc/38/34/96/212383496.db2.gz ZIRDYTBQWRYTMP-NSHDSACASA-N 0 0 338.234 4.509 50 0 EJAARN Brc1ccccc1-c1csc(Nc2ccccn2)n1 ZINC000023625465 212385811 /nfs/dbraw/zinc/38/58/11/212385811.db2.gz UCIPIQNTDZCSHY-UHFFFAOYSA-N 0 0 332.226 4.711 50 0 EJAARN CN(Cc1cccc(Cl)c1Cl)C(=O)c1cccc2cccnc21 ZINC000023490056 212379590 /nfs/dbraw/zinc/37/95/90/212379590.db2.gz WXBPSIOWHFBKAZ-UHFFFAOYSA-N 0 0 345.229 4.814 50 0 EJAARN COc1cccc(-c2nc3ccc(-c4ccc5c(c4)OCO5)cc3o2)c1 ZINC000023335840 212369462 /nfs/dbraw/zinc/36/94/62/212369462.db2.gz DCRWIWJCSPMFHU-UHFFFAOYSA-N 0 0 345.354 4.899 50 0 EJAARN O=C(N[C@@H]1CCc2ccccc21)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000058426713 202767582 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50 0 EJAARN Cc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2cccc(Cl)c2)cc1 ZINC000021107776 212208371 /nfs/dbraw/zinc/20/83/71/212208371.db2.gz WXOOTFXBERLLEK-LJQANCHMSA-N 0 0 349.821 4.815 50 0 EJAARN Cc1ccc(NC(=O)c2cccc3c2SCCC3=O)c(Cl)c1 ZINC000021103040 212207832 /nfs/dbraw/zinc/20/78/32/212207832.db2.gz VAVGEPWNRYOJMV-UHFFFAOYSA-N 0 0 331.824 4.579 50 0 EJAARN O=C(CSc1ccc2ccccc2c1)Nc1cc(F)ccc1F ZINC000003382352 201568705 /nfs/dbraw/zinc/56/87/05/201568705.db2.gz PUXAWFXJEWTMIB-UHFFFAOYSA-N 0 0 329.371 4.849 50 0 EJAARN CC(=O)c1cccc(NC(=O)COc2ccccc2-c2ccccc2)c1 ZINC000003451569 201572928 /nfs/dbraw/zinc/57/29/28/201572928.db2.gz IQSGMCOURSMTDE-UHFFFAOYSA-N 0 0 345.398 4.574 50 0 EJAARN c1ccc(-c2nnc(CSc3nc4ccccc4s3)o2)cc1 ZINC000003532083 201575335 /nfs/dbraw/zinc/57/53/35/201575335.db2.gz XNTTZQAMWLLAPZ-UHFFFAOYSA-N 0 0 325.418 4.639 50 0 EJAARN C[C@@H](O)c1nc2ccccc2n1CCCOc1cccc2ccccc21 ZINC000004385603 201599691 /nfs/dbraw/zinc/59/96/91/201599691.db2.gz MSOCFSWYWMAJSM-MRXNPFEDSA-N 0 0 346.430 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CCC[C@H]1c2ccc(C)n2CCN1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000020900405 212184193 /nfs/dbraw/zinc/18/41/93/212184193.db2.gz UBROAUXCSSETNU-INIZCTEOSA-N 0 0 349.837 4.978 50 0 EJAARN Cc1cccc(-c2noc(-c3cccnc3NC3CCCCC3)n2)c1 ZINC000020898159 212183421 /nfs/dbraw/zinc/18/34/21/212183421.db2.gz VEZDXQOBINBCTE-UHFFFAOYSA-N 0 0 334.423 4.852 50 0 EJAARN CCOc1ccc(-c2cc(C(=O)Oc3cccc(C)c3C)no2)cc1 ZINC000020896780 212183521 /nfs/dbraw/zinc/18/35/21/212183521.db2.gz BQPVNYOHGBLCDV-UHFFFAOYSA-N 0 0 337.375 4.576 50 0 EJAARN FC(F)(F)c1cc(-c2ccccc2)nc2nc(N3CCCC3)sc21 ZINC000006258025 201677647 /nfs/dbraw/zinc/67/76/47/201677647.db2.gz IWVSOPDOAPVOMV-UHFFFAOYSA-N 0 0 349.381 4.977 50 0 EJAARN Fc1ccc(-c2nc3c(c(=S)[nH]2)Cc2cc(F)ccc2O3)cc1 ZINC000020861707 212178584 /nfs/dbraw/zinc/17/85/84/212178584.db2.gz XBRGVALBAAZSTK-UHFFFAOYSA-N 0 0 328.343 4.781 50 0 EJAARN COc1ccccc1-c1nc2c(c(=S)[nH]1)Cc1cc(F)ccc1O2 ZINC000020861686 212179214 /nfs/dbraw/zinc/17/92/14/212179214.db2.gz ACNZJORNABJAHN-UHFFFAOYSA-N 0 0 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ZINC000089941440 203605623 /nfs/dbraw/zinc/60/56/23/203605623.db2.gz ZRDWDQRFABINIW-MRXNPFEDSA-N 0 0 344.414 4.713 50 0 EJAARN C[C@H]1Cc2ccccc2N(C(=O)c2ccc(Oc3cccnc3)cc2)C1 ZINC000089941441 203605835 /nfs/dbraw/zinc/60/58/35/203605835.db2.gz ZRDWDQRFABINIW-INIZCTEOSA-N 0 0 344.414 4.713 50 0 EJAARN Cc1cc(-c2cccc(-c3cc(C(F)(F)F)cc(N(C)C)n3)c2)n[nH]1 ZINC000091695748 203647570 /nfs/dbraw/zinc/64/75/70/203647570.db2.gz SXNBYBZJLPWJFI-UHFFFAOYSA-N 0 0 346.356 4.532 50 0 EJAARN CC(=O)N(c1nc(CS[C@@H](C)c2cccs2)cs1)C1CC1 ZINC000077962332 217006487 /nfs/dbraw/zinc/00/64/87/217006487.db2.gz JRWYKJCOFHOEGI-JTQLQIEISA-N 0 0 338.523 4.714 50 0 EJAARN CCOc1ccccc1/C=C\C(=O)N1CCc2sccc2[C@H]1CC ZINC000096920643 203900428 /nfs/dbraw/zinc/90/04/28/203900428.db2.gz QMNVQURUARVYKV-DOOKAGJSSA-N 0 0 341.476 4.696 50 0 EJAARN c1ccc(CNc2nc(N3CCCCCC3)nc3ccccc32)cc1 ZINC000041151144 204007501 /nfs/dbraw/zinc/00/75/01/204007501.db2.gz LSLOKWKXYUWKBR-UHFFFAOYSA-N 0 0 332.451 4.622 50 0 EJAARN Cc1ccc(C2=Nc3ncnn3[C@H](c3cccc(Cl)c3)C2)cc1C ZINC000102047864 204030348 /nfs/dbraw/zinc/03/03/48/204030348.db2.gz XBCIYAWXZBYXSS-SFHVURJKSA-N 0 0 336.826 4.604 50 0 EJAARN CCCc1cc(SCc2csc(-c3ccccc3)n2)ncn1 ZINC000044225111 204297905 /nfs/dbraw/zinc/29/79/05/204297905.db2.gz JLHDFZDNKVBKKG-UHFFFAOYSA-N 0 0 327.478 4.845 50 0 EJAARN Cc1ccc(-c2csc(Cc3nc(-c4cccs4)no3)n2)cc1 ZINC000049006145 204361869 /nfs/dbraw/zinc/36/18/69/204361869.db2.gz KHUGHLYCTBWXBP-UHFFFAOYSA-N 0 0 339.445 4.821 50 0 EJAARN O=C(Nc1cccc2ccc(-n3cccc3)nc21)c1ccc(F)c(F)c1 ZINC000049027986 204364033 /nfs/dbraw/zinc/36/40/33/204364033.db2.gz XWNKFPHVDLQMOO-UHFFFAOYSA-N 0 0 349.340 4.556 50 0 EJAARN Cc1ccc2nc(C(=O)N3CCCC3)cc(Nc3ccc(F)cc3)c2c1 ZINC000049002997 213976770 /nfs/dbraw/zinc/97/67/70/213976770.db2.gz HPLGNUPFLMFXOV-UHFFFAOYSA-N 0 0 349.409 4.662 50 0 EJAARN COc1ccc(CC(=O)N(Cc2ccccc2)c2ccccc2)cc1F ZINC000019310542 212014071 /nfs/dbraw/zinc/01/40/71/212014071.db2.gz FOXVXYSAFMKJQI-UHFFFAOYSA-N 0 0 349.405 4.610 50 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0 EJAARN CCCCC(=O)Nc1nn(CCCC)c2nc3ccc(C)cc3cc12 ZINC000016974186 211943940 /nfs/dbraw/zinc/94/39/40/211943940.db2.gz WQLIZOORNROTEQ-UHFFFAOYSA-N 0 0 338.455 4.822 50 0 EJAARN Cc1cc(-c2nnc(SCc3ccc(Cl)cc3)n2C)cs1 ZINC000017070675 211950979 /nfs/dbraw/zinc/95/09/79/211950979.db2.gz QQFBYKSNSXBMTO-UHFFFAOYSA-N 0 0 335.885 4.798 50 0 EJAARN Cc1ccc(C)c(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)c1 ZINC000017026455 211947037 /nfs/dbraw/zinc/94/70/37/211947037.db2.gz YCWAYUCLPRMIGU-UHFFFAOYSA-N 0 0 349.825 4.829 50 0 EJAARN Cc1ccc(NC(=O)Cc2csc(Nc3ccccc3)n2)cc1F ZINC000016850091 211937945 /nfs/dbraw/zinc/93/79/45/211937945.db2.gz ZSLRDZYXZZQYRI-UHFFFAOYSA-N 0 0 341.411 4.515 50 0 EJAARN Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(Cl)cc1F ZINC000078899686 217143872 /nfs/dbraw/zinc/14/38/72/217143872.db2.gz GCWJUSFSHMTVHI-UHFFFAOYSA-N 0 0 330.746 4.695 50 0 EJAARN Cc1cc2occ(CC(=O)Nc3ccc(OC(F)F)cc3)c2c(C)c1 ZINC000016753676 211933479 /nfs/dbraw/zinc/93/34/79/211933479.db2.gz BBTZQARRCJEKDV-UHFFFAOYSA-N 0 0 345.345 4.832 50 0 EJAARN Cc1c(C(=O)Nc2cccc(C)c2)sc2nc(-c3ccccc3)cn12 ZINC000016740407 211931766 /nfs/dbraw/zinc/93/17/66/211931766.db2.gz STIOIJBQHYRXQR-UHFFFAOYSA-N 0 0 347.443 4.932 50 0 EJAARN Cc1ccc(C(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)o1 ZINC000016579939 211914529 /nfs/dbraw/zinc/91/45/29/211914529.db2.gz KJECJGKOZCBUCI-UHFFFAOYSA-N 0 0 332.812 4.926 50 0 EJAARN CC[C@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)c1ccc(Cl)cc1 ZINC000078972549 217160999 /nfs/dbraw/zinc/16/09/99/217160999.db2.gz ONGNSVCFVFAFRC-ABAIWWIYSA-N 0 0 330.815 4.623 50 0 EJAARN Cc1ccc(SCCNC(=O)[C@H](C)Sc2ccc(C)cc2)cc1 ZINC000016310969 211895201 /nfs/dbraw/zinc/89/52/01/211895201.db2.gz QRKAACYXMTXZEL-INIZCTEOSA-N 0 0 345.533 4.693 50 0 EJAARN Cc1cc(C)c(NC(=O)NC(C)(C)CCC(=O)OC(C)(C)C)c(C)c1 ZINC000079104158 217193903 /nfs/dbraw/zinc/19/39/03/217193903.db2.gz QLVPJZQWIRZJBY-UHFFFAOYSA-N 0 0 348.487 4.634 50 0 EJAARN Cc1ccc([C@H]2CCCCCN2S(=O)(=O)Cc2ccccc2)s1 ZINC000015866780 211864608 /nfs/dbraw/zinc/86/46/08/211864608.db2.gz RHBCGBPQDCBUHW-QGZVFWFLSA-N 0 0 349.521 4.504 50 0 EJAARN CCc1ccc(Nc2onc(-c3ccc(F)cc3)c2C(=O)OC)cc1 ZINC000015821794 211856735 /nfs/dbraw/zinc/85/67/35/211856735.db2.gz KLFDGEJTSNLELI-UHFFFAOYSA-N 0 0 340.354 4.573 50 0 EJAARN COc1cc(C(=O)Nc2ccc(C)c(C)c2)nc2ccc(Cl)cc21 ZINC000015829252 211856082 /nfs/dbraw/zinc/85/60/82/211856082.db2.gz YUOHOKOBXZKLFW-UHFFFAOYSA-N 0 0 340.810 4.766 50 0 EJAARN CCCCOc1ccc(NC(=O)c2cccs2)c2cccnc12 ZINC000015841083 211860691 /nfs/dbraw/zinc/86/06/91/211860691.db2.gz XVTGGOZRLOBFJC-UHFFFAOYSA-N 0 0 326.421 4.728 50 0 EJAARN Cc1cc(F)ccc1NC(=O)C[C@@H](c1cccs1)n1cccc1 ZINC000015771020 211850213 /nfs/dbraw/zinc/85/02/13/211850213.db2.gz ZTQXMWIATIYPOA-INIZCTEOSA-N 0 0 328.412 4.615 50 0 EJAARN COc1ccc(C)cc1-c1csc(NC(=O)c2ccc(C)cc2)n1 ZINC000015637334 211837315 /nfs/dbraw/zinc/83/73/15/211837315.db2.gz BCYVRLWJRWLVCG-UHFFFAOYSA-N 0 0 338.432 4.688 50 0 EJAARN CC[C@H](COc1cccc(C)c1)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000080344811 217298852 /nfs/dbraw/zinc/29/88/52/217298852.db2.gz JPPAOZCTZLTMBD-LJQANCHMSA-N 0 0 339.479 4.880 50 0 EJAARN Cc1ccc2cc(COC(=O)CCc3ccccc3)c(Cl)nc2c1 ZINC000015152695 211805891 /nfs/dbraw/zinc/80/58/91/211805891.db2.gz HTWYLACXWKOZMJ-UHFFFAOYSA-N 0 0 339.822 4.873 50 0 EJAARN O=C(Nc1ccc(F)c(F)c1)c1ccc(COc2ccc(F)cc2)o1 ZINC000015011725 211788952 /nfs/dbraw/zinc/78/89/52/211788952.db2.gz GFPZJDSZBXKRON-UHFFFAOYSA-N 0 0 347.292 4.528 50 0 EJAARN COc1ccc(NC(=O)c2ccccc2Cc2ccccc2)cc1OC ZINC000015012351 211788131 /nfs/dbraw/zinc/78/81/31/211788131.db2.gz AEXDOENHKJTXQN-UHFFFAOYSA-N 0 0 347.414 4.547 50 0 EJAARN CCCc1cc2c(cc1OC=O)occ(-c1cc3ccccc3o1)c2=O ZINC000000518120 205479546 /nfs/dbraw/zinc/47/95/46/205479546.db2.gz JQTJWKMBXJUVPL-UHFFFAOYSA-N 0 0 348.354 4.694 50 0 biogenic EJAARN CCC(=O)N(CC[C@@H](c1ccc(OC)cc1)C(C)C)Cc1ccco1 ZINC000001772049 205598243 /nfs/dbraw/zinc/59/82/43/205598243.db2.gz YOUTXFCSFJUFOY-HXUWFJFHSA-N 0 0 343.467 4.857 50 0 biogenic EJAARN Cc1cccc(C(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)c1 ZINC000004317986 205700263 /nfs/dbraw/zinc/70/02/63/205700263.db2.gz XAWRCBBJFDLMNV-INIZCTEOSA-N 0 0 336.416 4.641 50 0 EJAARN CC(=O)c1cccc(NC(=O)c2ccc(Oc3ccccc3)cc2)c1 ZINC000006376984 205802214 /nfs/dbraw/zinc/80/22/14/205802214.db2.gz KPNQJXZUJFBYHK-UHFFFAOYSA-N 0 0 331.371 4.934 50 0 EJAARN CCCCc1ccc2nc(NC(=O)c3ccc(OC)cc3)sc2c1 ZINC000006398122 205805403 /nfs/dbraw/zinc/80/54/03/205805403.db2.gz QZILKPZOMTVENM-UHFFFAOYSA-N 0 0 340.448 4.900 50 0 EJAARN COc1ccc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)c(OC)c1 ZINC000006946824 205827688 /nfs/dbraw/zinc/82/76/88/205827688.db2.gz WZECDUCNRLQLAP-GOSISDBHSA-N 0 0 347.842 4.736 50 0 EJAARN CCCSC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(F)cc1 ZINC000007432850 205835225 /nfs/dbraw/zinc/83/52/25/205835225.db2.gz MKBVAAXBWUPFRN-LGMDPLHJSA-N 0 0 340.423 4.713 50 0 EJAARN COc1ccc(C)cc1[C@H](C)NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000007922760 205840004 /nfs/dbraw/zinc/84/00/04/205840004.db2.gz REUOPLZAMWCMRB-LBPRGKRZSA-N 0 0 337.341 4.513 50 0 EJAARN O=C(CCSc1ccccc1)Nc1cccc(Br)c1 ZINC000008206267 205845562 /nfs/dbraw/zinc/84/55/62/205845562.db2.gz NTZFTHXVQPCTBY-UHFFFAOYSA-N 0 0 336.254 4.570 50 0 EJAARN Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc(F)cc1F ZINC000014160468 211696800 /nfs/dbraw/zinc/69/68/00/211696800.db2.gz BBVNLUJDHDUEMN-UHFFFAOYSA-N 0 0 336.388 4.711 50 0 EJAARN CCn1ccnc1-c1cccc(NC(=O)c2ccc(SC)cc2)c1 ZINC000157184735 206122023 /nfs/dbraw/zinc/12/20/23/206122023.db2.gz CDPNZLBEVVPQIZ-UHFFFAOYSA-N 0 0 337.448 4.544 50 0 EJAARN CC(=O)N1CCc2cc(-c3nc(Cc4ccccc4)sc3C)ccc21 ZINC000014103626 211682756 /nfs/dbraw/zinc/68/27/56/211682756.db2.gz GZYZSOGKULRKGC-UHFFFAOYSA-N 0 0 348.471 4.618 50 0 EJAARN CCc1cccc(CC)c1NC(=O)[C@@H]1Cc2ccc(C)cc2S1 ZINC000014093209 211679819 /nfs/dbraw/zinc/67/98/19/211679819.db2.gz LIOVEEJXEBGSIU-SFHVURJKSA-N 0 0 325.477 4.775 50 0 EJAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc2c1CCCC2 ZINC000014075335 211677373 /nfs/dbraw/zinc/67/73/73/211677373.db2.gz ZKVDDVUTWMXUCL-UHFFFAOYSA-N 0 0 332.403 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MTCUDPYYBNBFIJ-ZDUSSCGKSA-N 0 0 346.402 4.506 50 0 EJAARN COC(=O)c1ccccc1SC(=O)c1ccc(Cl)c(Cl)c1 ZINC000000171716 258047649 /nfs/dbraw/zinc/04/76/49/258047649.db2.gz KTKZHSLFMWDRES-UHFFFAOYSA-N 0 0 341.215 4.713 50 0 EJAARN CCOC(=O)c1sc(NC(=O)Nc2ccc(Cl)cc2)cc1C ZINC000000307820 257976926 /nfs/dbraw/zinc/97/69/26/257976926.db2.gz RGUGPYBGFLDYNY-UHFFFAOYSA-N 0 0 338.816 4.531 50 0 EJAARN Cc1c2cc(C)cc(C)c2oc1C(=O)Nc1ccc2oc(=O)ccc2c1 ZINC000334162437 258016018 /nfs/dbraw/zinc/01/60/18/258016018.db2.gz NVRPHHCRJZNEKG-UHFFFAOYSA-N 0 0 347.370 4.717 50 0 EJAARN CCC[C@H]1COCCN1C(=O)c1cccc(-c2ccc(Cl)cc2)c1 ZINC000299773367 258085421 /nfs/dbraw/zinc/08/54/21/258085421.db2.gz GBSBCOFRTKCIFY-IBGZPJMESA-N 0 0 343.854 4.648 50 0 EJAARN Cc1cc2cc(NC(=O)N3CCCC[C@@H]3c3ccccn3)ccc2o1 ZINC000299776843 258087116 /nfs/dbraw/zinc/08/71/16/258087116.db2.gz DNGBZLUQCBJUJE-GOSISDBHSA-N 0 0 335.407 4.895 50 0 EJAARN O=C(Nc1cccc2c1CCCC2)N1CCCC[C@H]1c1cccnc1 ZINC000299794973 258099655 /nfs/dbraw/zinc/09/96/55/258099655.db2.gz KVBDMTGYQSFECB-FQEVSTJZSA-N 0 0 335.451 4.720 50 0 EJAARN Cc1ccc(O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1C ZINC000000464910 258048478 /nfs/dbraw/zinc/04/84/78/258048478.db2.gz WARVYRGAKZOFIT-CYBMUJFWSA-N 0 0 337.341 4.728 50 0 EJAARN O=C(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)N1CCCCC1 ZINC000000465946 258048577 /nfs/dbraw/zinc/04/85/77/258048577.db2.gz VRBOKCBQDBUCLV-UHFFFAOYSA-N 0 0 343.810 4.556 50 0 EJAARN CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccccc1C ZINC000000465131 258048590 /nfs/dbraw/zinc/04/85/90/258048590.db2.gz XNIJWGTXRSRXBA-ZDUSSCGKSA-N 0 0 326.465 4.635 50 0 EJAARN CC[C@@H](NCc1nc(-c2cccs2)no1)c1ccc(Cl)cc1 ZINC000012876327 258055443 /nfs/dbraw/zinc/05/54/43/258055443.db2.gz MMGDBNQCXNYFHT-CYBMUJFWSA-N 0 0 333.844 4.692 50 0 EJAARN CCCCn1c(C)c(C)nc1S[C@H](C)c1nc(-c2ccco2)no1 ZINC000032809272 258058254 /nfs/dbraw/zinc/05/82/54/258058254.db2.gz HHDWVDXKMFMTIR-CYBMUJFWSA-N 0 0 346.456 4.796 50 0 EJAARN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C1=CCCC1 ZINC000095414596 258066840 /nfs/dbraw/zinc/06/68/40/258066840.db2.gz RXZPWCUINJJIQI-INIZCTEOSA-N 0 0 348.446 4.569 50 0 EJAARN Cc1cccc(NC(=O)C2[C@@H]3CC[C@@H]4[C@@H](CC[C@@H]23)C4(Cl)Cl)c1 ZINC000101512788 258069121 /nfs/dbraw/zinc/06/91/21/258069121.db2.gz ILZRVBWTTJKFOR-KBUPBQIOSA-N 0 0 338.278 4.790 50 0 aggregator EJAARN Cc1ccc(C)c(N2CCN(Cc3cccc(Cl)c3Cl)CC2)c1 ZINC000055292417 132194778 /nfs/dbraw/zinc/19/47/78/132194778.db2.gz YSXZDJBOXFSNGJ-UHFFFAOYSA-N 0 0 349.305 4.932 50 0 EJAARN Cc1c(-c2cccc(C)c2)nn2c1nc(C)cc2N1CCC(C)CC1 ZINC000040216787 132399171 /nfs/dbraw/zinc/39/91/71/132399171.db2.gz DOJHVFPCKANTCT-UHFFFAOYSA-N 0 0 334.467 4.558 50 0 EJAARN O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(-c2cnco2)cc1 ZINC000040150751 132399320 /nfs/dbraw/zinc/39/93/20/132399320.db2.gz MIXYXEYRLJXPOP-UHFFFAOYSA-N 0 0 347.418 4.584 50 0 EJAARN FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(N2CCCCC2)n1 ZINC000000213218 135647075 /nfs/dbraw/zinc/64/70/75/135647075.db2.gz PVLSOPDUNIWDOM-UHFFFAOYSA-N 0 0 341.764 4.806 50 0 EJAARN Cc1ccc2c(c1)CCCN2C(=O)c1csc2c1CC[C@H](C)C2 ZINC000001460322 135655499 /nfs/dbraw/zinc/65/54/99/135655499.db2.gz VVKPTLHCNAWMNH-AWEZNQCLSA-N 0 0 325.477 4.774 50 0 EJAARN Cc1ccc(Cl)c(OC(C)(C)C(=O)N2CCCc3ccccc32)c1 ZINC000006844514 135677930 /nfs/dbraw/zinc/67/79/30/135677930.db2.gz KPQDVRVIISRAGC-UHFFFAOYSA-N 0 0 343.854 4.785 50 0 EJAARN CC[C@@H]1CN(C(=O)Nc2cccc(Cl)c2C)c2ccccc2O1 ZINC000006844740 135677951 /nfs/dbraw/zinc/67/79/51/135677951.db2.gz OPPBCBUCFMZDEI-CYBMUJFWSA-N 0 0 330.815 4.858 50 0 EJAARN Cc1ccc(C)c(CN2c3ccccc3S(=O)(=O)c3ccccc32)c1 ZINC000009683243 135687583 /nfs/dbraw/zinc/68/75/83/135687583.db2.gz FTDLEIJGJRRLNT-UHFFFAOYSA-N 0 0 349.455 4.788 50 0 EJAARN Cc1coc(-c2cccc(NC(=O)N3CCC[C@H]3c3ccco3)c2)n1 ZINC000158603998 225052640 /nfs/dbraw/zinc/05/26/40/225052640.db2.gz AVXVBZNJYAEJAL-INIZCTEOSA-N 0 0 337.379 4.612 50 0 EJAARN Cc1sc(C(=O)N(C)c2cccnc2)cc1-c1ccc(F)cc1 ZINC000170029153 226599029 /nfs/dbraw/zinc/59/90/29/226599029.db2.gz JOCGZJIEDIGWAQ-UHFFFAOYSA-N 0 0 326.396 4.534 50 0 EJAARN CC(=O)c1ccccc1C(=O)Nc1nc(-c2ccccc2C)cs1 ZINC000120646014 221636303 /nfs/dbraw/zinc/63/63/03/221636303.db2.gz NOPFQWUEGRBADG-UHFFFAOYSA-N 0 0 336.416 4.573 50 0 EJAARN CCOCc1ccccc1NC(=O)c1cncc(-c2cccc(C)c2)c1 ZINC000122092885 222013471 /nfs/dbraw/zinc/01/34/71/222013471.db2.gz CBLGKOHAXGTJEH-UHFFFAOYSA-N 0 0 346.430 4.846 50 0 EJAARN COCc1ccccc1N[C@@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 ZINC000123542167 222294028 /nfs/dbraw/zinc/29/40/28/222294028.db2.gz LKIXYQFHMDIAPF-HNNXBMFYSA-N 0 0 337.423 4.673 50 0 EJAARN Cc1cc(C)cc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)c1 ZINC000409415662 262504417 /nfs/dbraw/zinc/50/44/17/262504417.db2.gz VYWQFVBRWPOMDX-UHFFFAOYSA-N 0 0 335.432 4.659 50 0 EJAARN O=C(Cc1c(Cl)cccc1Cl)N[C@@H]1CCCc2ccccc21 ZINC000003360843 262506155 /nfs/dbraw/zinc/50/61/55/262506155.db2.gz QYHGGSJKFNEWLV-QGZVFWFLSA-N 0 0 334.246 4.730 50 0 EJAARN CN(Cc1cccc(Cl)c1)C(=O)Nc1cccc(OC(F)F)c1 ZINC000040120501 262526416 /nfs/dbraw/zinc/52/64/16/262526416.db2.gz LOJIBPBYEYVHGX-UHFFFAOYSA-N 0 0 340.757 4.605 50 0 EJAARN Cc1ccc2c(CC(=O)Nc3ccccc3C(F)(F)F)coc2c1 ZINC000016750811 518189869 /nfs/dbraw/zinc/18/98/69/518189869.db2.gz LZZYGCQFNWDORG-UHFFFAOYSA-N 0 0 333.309 4.941 50 0 EJAARN O=c1nc(-c2cc(F)cc(F)c2)[nH]c2sc(-c3ccccc3)cc21 ZINC000032924307 518203173 /nfs/dbraw/zinc/20/31/73/518203173.db2.gz BYNHDTZDFYUQCP-UHFFFAOYSA-N 0 0 340.354 4.597 50 0 EJAARN Cc1noc(C2CC2)c1NC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000130109678 534390302 /nfs/dbraw/zinc/39/03/02/534390302.db2.gz XTNHJZHVJURGLA-MEDUHNTESA-N 0 0 343.402 4.615 50 0 EJAARN CCCCC(=O)Nc1ccccc1NC(=O)Cc1ccc(Cl)cc1 ZINC000004841405 519915540 /nfs/dbraw/zinc/91/55/40/519915540.db2.gz UJAKDBJFCHIYCT-UHFFFAOYSA-N 0 0 344.842 4.650 50 0 EJAARN CCCCNC(=O)OC[C@@]12CO[C@@H](CCC)[C@@H](C(C)=C[C@H]1C)[C@H]2C ZINC000252693609 520646287 /nfs/dbraw/zinc/64/62/87/520646287.db2.gz FGCOUMUUNRBVMZ-JGLNRKDHSA-N 0 0 337.504 4.546 50 0 biogenic EJAARN CCCC[C@H](CC)C(=O)Nc1ccc2c(c1)c(OC(C)C)nn2C ZINC000257173660 521162474 /nfs/dbraw/zinc/16/24/74/521162474.db2.gz UMHHEEROCGMRPI-AWEZNQCLSA-N 0 0 331.460 4.515 50 0 EJAARN CCCCc1ccc(C2=N/C(=C\c3ccccc3OCC)C(=O)O2)cc1 ZINC000004589453 521270970 /nfs/dbraw/zinc/27/09/70/521270970.db2.gz GAIOZKYESAXMON-CYVLTUHYSA-N 0 0 349.430 4.772 50 0 EJAARN CCOc1ccccc1NC(=O)CCCc1nc2ccccc2s1 ZINC000003472909 521524151 /nfs/dbraw/zinc/52/41/51/521524151.db2.gz URADWTCALYDCHF-UHFFFAOYSA-N 0 0 340.448 4.656 50 0 EJAARN CC[C@@H](Oc1ccccc1)C(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000004820421 523055220 /nfs/dbraw/zinc/05/52/20/523055220.db2.gz WHOCDNAWWJSQLK-RTWAWAEBSA-N 0 0 337.463 4.892 50 0 EJAARN COc1ccc(CCCC(=O)Nc2cccc(SC)c2)c(C)c1 ZINC000003002744 523930648 /nfs/dbraw/zinc/93/06/48/523930648.db2.gz DWYXZROQCQHKRK-UHFFFAOYSA-N 0 0 329.465 4.687 50 0 EJAARN COc1ccc(NC(=O)CSc2ccc(C)c(C)c2)cc1Cl ZINC000003473302 524506452 /nfs/dbraw/zinc/50/64/52/524506452.db2.gz FFNYLUFHZUNHJG-UHFFFAOYSA-N 0 0 335.856 4.696 50 0 EJAARN C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccco1 ZINC000000027292 524815057 /nfs/dbraw/zinc/81/50/57/524815057.db2.gz YGELMAGAUGHTDT-MAUKXSAKSA-N 0 0 332.403 4.872 50 0 EJAARN Cc1ccc([C@@H]2CCCN2C(=O)CO[C@@H]2CCCC[C@H]2C)cc1C ZINC000252516924 525809840 /nfs/dbraw/zinc/80/98/40/525809840.db2.gz XXMMUDTYLUWUJX-LSTHTHJFSA-N 0 0 329.484 4.562 50 0 EJAARN c1ccc(N=c2nc(-c3ccccc3)n(-c3ccccc3)s2)cc1 ZINC000252486751 526481123 /nfs/dbraw/zinc/48/11/23/526481123.db2.gz MWKGMZRDURKJEZ-UHFFFAOYSA-N 0 0 329.428 4.833 50 0 EJAARN O=C(CCc1ccccc1F)N(Cc1ccoc1)Cc1cccs1 ZINC000096120656 526612245 /nfs/dbraw/zinc/61/22/45/526612245.db2.gz KGXHFOOFUDIWOQ-UHFFFAOYSA-N 0 0 343.423 4.642 50 0 EJAARN Cc1onc(-c2cccc(Cl)c2)c1C(=O)NCCC1=CCCCC1 ZINC000035536314 526843968 /nfs/dbraw/zinc/84/39/68/526843968.db2.gz VPLSBINAICHGRN-UHFFFAOYSA-N 0 0 344.842 4.924 50 0 EJAARN O=C(Nc1ccccc1NC(=O)c1ccccc1)c1ccoc1C1CC1 ZINC000390833939 527426895 /nfs/dbraw/zinc/42/68/95/527426895.db2.gz PEKPHDURHYRKOQ-UHFFFAOYSA-N 0 0 346.386 4.662 50 0 EJAARN CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)[C@@H]1CCCO1 ZINC000000315055 534935376 /nfs/dbraw/zinc/93/53/76/534935376.db2.gz MWUQJNWOZSVCLP-NZQKXSOJSA-N 0 0 349.474 4.687 50 0 EJAARN CC(C)N[P@](=O)(O[C@H]1C[C@H](C)CC[C@@H]1C(C)C)c1ccccc1 ZINC000263621491 535291035 /nfs/dbraw/zinc/29/10/35/535291035.db2.gz ADULCGJWFWMRGU-YQYRJILISA-N 0 0 337.444 4.980 50 0 biogenic EJAARN CC[C@@H](C(=O)NCc1cccnc1-c1cccs1)c1ccccc1 ZINC000225759307 535420671 /nfs/dbraw/zinc/42/06/71/535420671.db2.gz MPQYXIUCAGPRRB-QGZVFWFLSA-N 0 0 336.460 4.620 50 0 EJAARN CCOc1ccccc1NC(=O)N1C[C@H](CC)Oc2ccc(C)cc21 ZINC000006843240 535528011 /nfs/dbraw/zinc/52/80/11/535528011.db2.gz NELJGOVQPXYIQC-HNNXBMFYSA-N 0 0 340.423 4.603 50 0 EJAARN CCc1c(C)nc2c(-c3ccccc3)c(C)nn2c1N1CCCCC1 ZINC000002323533 536070512 /nfs/dbraw/zinc/07/05/12/536070512.db2.gz QZZYEBGYEJWHKW-UHFFFAOYSA-N 0 0 334.467 4.566 50 0 EJAARN COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccsc2)cc1 ZINC000008747494 536666682 /nfs/dbraw/zinc/66/66/82/536666682.db2.gz RLHVQGKZTGSGDW-GOSISDBHSA-N 0 0 336.416 4.528 50 0 EJAARN COc1ccc([C@H]2CCCCN(C(=O)c3ccc(C)c(C)c3)C2)cc1 ZINC000208003060 536938704 /nfs/dbraw/zinc/93/87/04/536938704.db2.gz BYXVNZSPGCZIJO-FQEVSTJZSA-N 0 0 337.463 4.722 50 0 EJAARN COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2F)cc1 ZINC000000501039 536945757 /nfs/dbraw/zinc/94/57/57/536945757.db2.gz ZYCPFAQBMLDKPW-FQEVSTJZSA-N 0 0 348.377 4.605 50 0 EJAARN Cc1cc(Cl)ccc1OCCCC(=O)N[C@H](C)CCC(C)C ZINC000013097174 563687570 /nfs/dbraw/zinc/68/75/70/563687570.db2.gz KGPCQULVJVLZNV-OAHLLOKOSA-N 0 0 325.880 4.748 50 0 EJAARN CSc1nc2ccccc2n1CN(C)Cc1ccc(Cl)s1 ZINC000025665561 563887009 /nfs/dbraw/zinc/88/70/09/563887009.db2.gz NQBPWVFZJSMUIA-UHFFFAOYSA-N 0 0 337.901 4.563 50 0 EJAARN Cc1nn(C(C)C)c(C)c1NC(=O)c1cccc(Cl)c1Cl ZINC000058994880 563947448 /nfs/dbraw/zinc/94/74/48/563947448.db2.gz IFFMPJPKLCRMGQ-UHFFFAOYSA-N 0 0 326.227 4.640 50 0 EJAARN Cc1c(Cl)cccc1NC(=O)/C=C/c1ccc(Br)o1 ZINC000003188636 564004098 /nfs/dbraw/zinc/00/40/98/564004098.db2.gz WAAWHFKQBUKOID-SOFGYWHQSA-N 0 0 340.604 4.656 50 0 EJAARN CC(C)(C)c1ccccc1NC(=O)c1cccc(Br)c1 ZINC000000460660 564012645 /nfs/dbraw/zinc/01/26/45/564012645.db2.gz FOWUKRLBVJRYMG-UHFFFAOYSA-N 0 0 332.241 4.999 50 0 EJAARN CCCN1C(=O)N(c2ccc(Cl)cc2Cl)[C@](C)(O)CC1(C)C ZINC000000495207 564017949 /nfs/dbraw/zinc/01/79/49/564017949.db2.gz MKYDLDIXSLNAMX-MRXNPFEDSA-N 0 0 345.270 4.523 50 0 EJAARN O=C(Nc1cccc2ccccc21)c1ccc(Br)s1 ZINC000003164179 564026577 /nfs/dbraw/zinc/02/65/77/564026577.db2.gz WMMMLAXOBPOJRB-UHFFFAOYSA-N 0 0 332.222 4.916 50 0 EJAARN Fc1ccc(CSc2nncc3ccccc32)cc1Br ZINC000048620700 564031983 /nfs/dbraw/zinc/03/19/83/564031983.db2.gz IGLKSJURLWQRRF-UHFFFAOYSA-N 0 0 349.228 4.824 50 0 EJAARN Cc1snc2sc(-c3ncc(C(F)(F)F)cc3Cl)c(N)c12 ZINC000001397379 564064713 /nfs/dbraw/zinc/06/47/13/564064713.db2.gz XXRQGXFUHCOUKA-UHFFFAOYSA-N 0 0 349.790 4.983 50 0 EJAARN Brc1ccc(NCc2cc(-c3ccccc3)no2)cc1 ZINC000012753122 564067154 /nfs/dbraw/zinc/06/71/54/564067154.db2.gz GSUNNIZJRAQUAG-UHFFFAOYSA-N 0 0 329.197 4.716 50 0 EJAARN CC[C@H](NC(=O)CCc1ccccc1)c1ccc(Br)cc1 ZINC000008038765 564162319 /nfs/dbraw/zinc/16/23/19/564162319.db2.gz BXBHFNMVWBPDOE-KRWDZBQOSA-N 0 0 346.268 4.649 50 0 EJAARN Cc1sc2c(c1C)CSC(C(=O)Oc1cncc(Cl)c1)=C2 ZINC000009211425 564171299 /nfs/dbraw/zinc/17/12/99/564171299.db2.gz ALZNDIXKRNRIPE-UHFFFAOYSA-N 0 0 337.853 4.607 50 0 EJAARN Cc1cccc2c3c(c(C)nc12)C[C@@H]([C@@](C)(Cl)Br)O3 ZINC000000435930 563312841 /nfs/dbraw/zinc/31/28/41/563312841.db2.gz LLWGIJULDDXRNP-SWLSCSKDSA-N 0 0 340.648 4.505 50 0 EJAARN O=C(CCc1cccc(Br)c1)c1cc(F)c(F)c(F)c1 ZINC000002516739 563437733 /nfs/dbraw/zinc/43/77/33/563437733.db2.gz KOACLFHPFYUJBO-UHFFFAOYSA-N 0 0 343.142 4.682 50 0 EJAARN COc1ccc(OCCCOc2ccc(Cl)cc2Cl)cc1 ZINC000002904803 563463041 /nfs/dbraw/zinc/46/30/41/563463041.db2.gz QBIHMAHOTJKICK-UHFFFAOYSA-N 0 0 327.207 4.850 50 0 EJAARN COc1ccc2c(Cl)c(C(=O)N[C@@H](C)C(C)(C)C)sc2c1 ZINC000002872865 563459317 /nfs/dbraw/zinc/45/93/17/563459317.db2.gz JZLYMCJKKWZTPZ-VIFPVBQESA-N 0 0 325.861 4.728 50 0 EJAARN COc1cccc(NC(=O)C2c3ccccc3Oc3ccccc32)c1 ZINC000000030229 563211677 /nfs/dbraw/zinc/21/16/77/563211677.db2.gz DZLJQHQSFPSRTD-UHFFFAOYSA-N 0 0 331.371 4.572 50 0 EJAARN CCOc1ccc2nc(SCc3ccc4c(c3)OCO4)sc2c1 ZINC000000033329 563211794 /nfs/dbraw/zinc/21/17/94/563211794.db2.gz UGGDUWZZEZUTBV-UHFFFAOYSA-N 0 0 345.445 4.716 50 0 EJAARN O=C1C(Nc2ccccc2)=C[C@H](c2ccccc2F)N1c1ccccc1 ZINC000000035085 563211940 /nfs/dbraw/zinc/21/19/40/563211940.db2.gz VZUHRYUJXRMROA-OAQYLSRUSA-N 0 0 344.389 4.910 50 0 EJAARN COc1ccc2c(Cl)c(C(=O)Nc3ccc(F)cc3)sc2c1 ZINC000000038561 563212289 /nfs/dbraw/zinc/21/22/89/563212289.db2.gz ZLARYBPXHBCVJV-UHFFFAOYSA-N 0 0 335.787 4.955 50 0 EJAARN Nc1c2ccc(-c3ccccc3)nc2sc1C(=O)c1ccccc1 ZINC000000058550 563213724 /nfs/dbraw/zinc/21/37/24/563213724.db2.gz UHJMBYMKRLALBJ-UHFFFAOYSA-N 0 0 330.412 4.777 50 0 EJAARN c1ccc2[nH]c(Sc3ncnc4sc5c(c43)CCCC5)nc2c1 ZINC000000072484 563215804 /nfs/dbraw/zinc/21/58/04/563215804.db2.gz VSDOOWLAAJQPTG-UHFFFAOYSA-N 0 0 338.461 4.598 50 0 EJAARN CC(=O)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N ZINC000000075160 563216894 /nfs/dbraw/zinc/21/68/94/563216894.db2.gz IOIBZFRQAKDLMT-UHFFFAOYSA-N 0 0 342.367 4.828 50 0 EJAARN CCc1cccc(CC)c1N(C)C(=O)c1cnccc1C(F)(F)F ZINC000000077760 563217599 /nfs/dbraw/zinc/21/75/99/563217599.db2.gz MYUVSKVQNOUKGB-UHFFFAOYSA-N 0 0 336.357 4.502 50 0 EJAARN CC(C)N(C(=O)CSc1nc2ccccc2s1)c1ccccc1 ZINC000000080870 563218577 /nfs/dbraw/zinc/21/85/77/563218577.db2.gz YDCYXDWTNFTUKH-UHFFFAOYSA-N 0 0 342.489 4.830 50 0 EJAARN CCCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 ZINC000000082710 563219051 /nfs/dbraw/zinc/21/90/51/563219051.db2.gz YHOXNAMTLZDCMH-UHFFFAOYSA-N 0 0 328.795 4.978 50 0 EJAARN CSc1nccc(-c2sc(-c3ccc(Cl)cc3)nc2C)n1 ZINC000000084352 563219731 /nfs/dbraw/zinc/21/97/31/563219731.db2.gz HXORACJRKUGHCT-UHFFFAOYSA-N 0 0 333.869 4.951 50 0 EJAARN Cc1ccc(Sc2ncccc2NC(=O)c2cccs2)cc1 ZINC000000084094 563219762 /nfs/dbraw/zinc/21/97/62/563219762.db2.gz 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CCN(CC)c1ccc(NC(=O)/C=C/c2c(F)cccc2Cl)cc1 ZINC000000473279 563332552 /nfs/dbraw/zinc/33/25/52/563332552.db2.gz PNOJMRBMXYUBSB-OUKQBFOZSA-N 0 0 346.833 4.977 50 0 EJAARN Cc1ccc(-c2csc(NC(=O)c3ccccc3F)n2)c(C)c1 ZINC000000474256 563333145 /nfs/dbraw/zinc/33/31/45/563333145.db2.gz OACVTAUJPIEJME-UHFFFAOYSA-N 0 0 326.396 4.818 50 0 EJAARN CCN(CC)c1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 ZINC000000474431 563333207 /nfs/dbraw/zinc/33/32/07/563333207.db2.gz NGACEDRMYFVWLD-CQSZACIVSA-N 0 0 346.858 4.592 50 0 EJAARN Cc1c(C)c(NC(=O)[C@@H](C)c2ccccc2)ccc1Br ZINC000000475409 563333856 /nfs/dbraw/zinc/33/38/56/563333856.db2.gz LKYVIBLRLOKCBO-ZDUSSCGKSA-N 0 0 332.241 4.808 50 0 EJAARN COc1cc(NC(=O)c2ccc(C(C)C)cc2)c(OC)cc1Cl ZINC000000476421 563334451 /nfs/dbraw/zinc/33/44/51/563334451.db2.gz DSGLMQAZURVPEV-UHFFFAOYSA-N 0 0 333.815 4.733 50 0 EJAARN O=c1c(Cl)c(Sc2ccc(Cl)cc2)cnn1-c1ccccc1 ZINC000000480064 563336018 /nfs/dbraw/zinc/33/60/18/563336018.db2.gz TVLDSTFKFXBXIK-UHFFFAOYSA-N 0 0 349.242 4.691 50 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346.308 4.921 50 0 EJAARN CC(C)(C)NC(=O)c1cccc(COc2cccc3ccccc32)c1 ZINC000000998882 563367765 /nfs/dbraw/zinc/36/77/65/563367765.db2.gz WRSMAVRCSHEYOP-UHFFFAOYSA-N 0 0 333.431 4.947 50 0 EJAARN Cc1cccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c1C ZINC000001003667 563367950 /nfs/dbraw/zinc/36/79/50/563367950.db2.gz VPAOYHGWXXTVCE-UHFFFAOYSA-N 0 0 340.492 4.728 50 0 EJAARN Cc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)o1 ZINC000001007295 563368275 /nfs/dbraw/zinc/36/82/75/563368275.db2.gz GCPZHKOWNSMENP-HNAYVOBHSA-N 0 0 336.416 4.892 50 0 EJAARN O=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1Cc1ccc(F)cc1 ZINC000001011100 563368362 /nfs/dbraw/zinc/36/83/62/563368362.db2.gz JQPQEKTZQFEFMD-DHDCSXOGSA-N 0 0 347.798 4.716 50 0 EJAARN Cc1onc(-c2ccccc2)c1C(=O)N1CCCc2cc(C)ccc21 ZINC000001055947 563371103 /nfs/dbraw/zinc/37/11/03/563371103.db2.gz UNRICVZNQQBBPS-UHFFFAOYSA-N 0 0 332.403 4.551 50 0 EJAARN CCCc1cc(C(=O)Nc2ccc(OC(F)F)cc2C)cs1 ZINC000001055349 563371150 /nfs/dbraw/zinc/37/11/50/563371150.db2.gz 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ZINC000009724310 563379906 /nfs/dbraw/zinc/37/99/06/563379906.db2.gz QXBJKLPKSMEOHV-UHFFFAOYSA-N 0 0 325.437 4.810 50 0 EJAARN O=C1S/C(=C\c2cccc(Cl)c2)C(=O)N1Cc1ccccc1 ZINC000001263073 563382082 /nfs/dbraw/zinc/38/20/82/563382082.db2.gz QMJIEMBQOIWVBB-GDNBJRDFSA-N 0 0 329.808 4.577 50 0 EJAARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(C)cc1)SCC(=O)N2 ZINC000001279412 563382443 /nfs/dbraw/zinc/38/24/43/563382443.db2.gz ZAQBQKNSAJYYCM-LJQANCHMSA-N 0 0 349.459 4.913 50 0 EJAARN O=c1c2c(-c3cccs3)csc2[nH]c(=S)n1-c1ccccc1 ZINC000001307539 563383094 /nfs/dbraw/zinc/38/30/94/563383094.db2.gz QPGZFTYZRQKKPE-UHFFFAOYSA-N 0 0 342.470 4.838 50 0 EJAARN O=C(Nc1ccccc1C(=O)c1ccccc1)c1cccc(Cl)c1 ZINC000001382835 563384623 /nfs/dbraw/zinc/38/46/23/563384623.db2.gz VFMZOWHFOARGLN-UHFFFAOYSA-N 0 0 335.790 4.823 50 0 EJAARN Cc1ccc(CSc2nc3c(c(NC4CC4)n2)CCCC3)cc1 ZINC000001393088 563386040 /nfs/dbraw/zinc/38/60/40/563386040.db2.gz WFCADMDLKQZUPC-UHFFFAOYSA-N 0 0 325.481 4.530 50 0 EJAARN CCOC(=O)N[C@@H](c1cccc(Cl)c1)[C@@H]1CCCCCCC1=O ZINC000001394525 563386330 /nfs/dbraw/zinc/38/63/30/563386330.db2.gz CVEKVYYXCUMZNZ-WBVHZDCISA-N 0 0 337.847 4.667 50 0 EJAARN O=C(c1cnc(Nc2ccccc2Cl)s1)c1ccc(F)cc1 ZINC000001399963 563387403 /nfs/dbraw/zinc/38/74/03/563387403.db2.gz PTRCNTWXOTXGKP-UHFFFAOYSA-N 0 0 332.787 4.910 50 0 EJAARN CSc1ccccc1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000001428329 563388900 /nfs/dbraw/zinc/38/89/00/563388900.db2.gz RLKVUEBKCPRUOZ-UHFFFAOYSA-N 0 0 333.456 4.928 50 0 EJAARN C[C@H]1CCCCN1C(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000001469206 563390633 /nfs/dbraw/zinc/39/06/33/563390633.db2.gz MNBMQBGZQJIBGJ-QFBILLFUSA-N 0 0 325.477 4.921 50 0 EJAARN Cc1ccccc1OCCCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001772536 563410558 /nfs/dbraw/zinc/41/05/58/563410558.db2.gz UBAGYMAVAWBGSM-UHFFFAOYSA-N 0 0 337.341 4.812 50 0 EJAARN Cc1cccc(OCCCC(=O)Nc2ccc(Br)cc2)c1 ZINC000001775863 563410929 /nfs/dbraw/zinc/41/09/29/563410929.db2.gz UAOJYRZGQHTIJX-UHFFFAOYSA-N 0 0 348.240 4.555 50 0 EJAARN CCCCOc1ccccc1NC(=O)c1ccccc1Br ZINC000001777419 563411172 /nfs/dbraw/zinc/41/11/72/563411172.db2.gz FGSYEWKLMDNDHR-UHFFFAOYSA-N 0 0 348.240 4.880 50 0 EJAARN COc1ccc(OCCCC(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000001778183 563411520 /nfs/dbraw/zinc/41/15/20/563411520.db2.gz HZYXIYVBXJURIR-UHFFFAOYSA-N 0 0 327.424 4.616 50 0 EJAARN CCCCc1ccc(NC(=O)CCCOc2ccc(OC)cc2)cc1 ZINC000001778184 563411560 /nfs/dbraw/zinc/41/15/60/563411560.db2.gz ABXUEOISTIUXSL-UHFFFAOYSA-N 0 0 341.451 4.836 50 0 EJAARN C[C@@H](O)c1nc2ccccc2n1CCCCOc1ccc(Cl)cc1 ZINC000001926804 563416501 /nfs/dbraw/zinc/41/65/01/563416501.db2.gz YEFHJBMRKNPZCT-CQSZACIVSA-N 0 0 344.842 4.602 50 0 EJAARN Cc1ccc(C(C)C)c(Oc2ccc(N3C(=O)CCCC3=O)cc2)c1 ZINC000002078912 563421769 /nfs/dbraw/zinc/42/17/69/563421769.db2.gz YYESBXVXXPJMLE-UHFFFAOYSA-N 0 0 337.419 4.954 50 0 EJAARN O=C(OCCOc1ccccc1)c1sc2ccccc2c1Cl ZINC000002136123 563423319 /nfs/dbraw/zinc/42/33/19/563423319.db2.gz PMEOPFZTDXFZNO-UHFFFAOYSA-N 0 0 332.808 4.791 50 0 EJAARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(Cl)(Cl)Cl ZINC000002141554 563423696 /nfs/dbraw/zinc/42/36/96/563423696.db2.gz KMRPWDJHWKHRKQ-UHFFFAOYSA-N 0 0 340.943 4.668 50 0 EJAARN CC(C)(C)c1ccc(C(=O)Oc2ccc(Br)cc2)cc1 ZINC000002181328 563425495 /nfs/dbraw/zinc/42/54/95/563425495.db2.gz FNHFOISUJDJRHP-UHFFFAOYSA-N 0 0 333.225 4.966 50 0 EJAARN O=C1OCC[C@H]1Sc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000002229883 563427394 /nfs/dbraw/zinc/42/73/94/563427394.db2.gz JMZJRMOIESNGDN-LLVKDONJSA-N 0 0 346.260 4.525 50 0 EJAARN CCN(Cc1ccccc1)C(=O)C1c2ccccc2Oc2ccccc21 ZINC000002309972 563429016 /nfs/dbraw/zinc/42/90/16/563429016.db2.gz PYUSWQMMAPPEKI-UHFFFAOYSA-N 0 0 343.426 4.973 50 0 EJAARN Cc1cccc(NC[C@@H](O)Cn2c3ccccc3c3ccccc32)c1C ZINC000002306473 563429051 /nfs/dbraw/zinc/42/90/51/563429051.db2.gz DWCFSVMFXDWHHA-GOSISDBHSA-N 0 0 344.458 4.884 50 0 EJAARN CCCOc1ccc(C(=O)NCC2(c3ccccc3)CCCC2)cc1 ZINC000002313293 563429096 /nfs/dbraw/zinc/42/90/96/563429096.db2.gz JOGFTYKHNIOHJF-UHFFFAOYSA-N 0 0 337.463 4.717 50 0 EJAARN CCn1c(SCc2cccc(F)c2)nnc1-c1ccc(C)cc1 ZINC000002453749 563432742 /nfs/dbraw/zinc/43/27/42/563432742.db2.gz DWOOFJSAOKPTBC-UHFFFAOYSA-N 0 0 327.428 4.705 50 0 EJAARN O=C(CCCOc1ccc(Cl)cc1Cl)NC1CCCCCC1 ZINC000002496924 563434221 /nfs/dbraw/zinc/43/42/21/563434221.db2.gz UAKZBZZLUWWNJS-UHFFFAOYSA-N 0 0 344.282 4.991 50 0 EJAARN Nc1c(-c2cccc(C(F)(F)F)c2)cnn1-c1cccc(Cl)c1 ZINC000002508453 563434934 /nfs/dbraw/zinc/43/49/34/563434934.db2.gz XETCNESFCWPYJK-UHFFFAOYSA-N 0 0 337.732 4.794 50 0 EJAARN CC1(C)COC(CCCC(=O)c2cccc(Cl)c2Cl)OC1 ZINC000002518140 563438365 /nfs/dbraw/zinc/43/83/65/563438365.db2.gz UCXWXHFXFUOERU-UHFFFAOYSA-N 0 0 331.239 4.746 50 0 EJAARN COc1ccc(NC(=O)/C=C/c2ccc(CC(C)C)cc2)c(OC)c1 ZINC000002570954 563442481 /nfs/dbraw/zinc/44/24/81/563442481.db2.gz RSUKGYDZAGBMNM-FMIVXFBMSA-N 0 0 339.435 4.554 50 0 EJAARN COc1cccc(NC(=O)CC(c2ccccc2)c2ccccc2)c1 ZINC000002742204 563448076 /nfs/dbraw/zinc/44/80/76/563448076.db2.gz GLFBNTASGYQFBG-UHFFFAOYSA-N 0 0 331.415 4.856 50 0 EJAARN C[C@@H]1CCCCN1C(=O)c1cccc(COc2ccccc2Cl)c1 ZINC000002750713 563448743 /nfs/dbraw/zinc/44/87/43/563448743.db2.gz FXWNSRDURXATQD-OAHLLOKOSA-N 0 0 343.854 4.934 50 0 EJAARN CCCOc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000002765343 563449690 /nfs/dbraw/zinc/44/96/90/563449690.db2.gz UZUGAVBODFOFNO-UHFFFAOYSA-N 0 0 338.432 4.851 50 0 EJAARN CC(C)(C)c1ccc(/C=C/C(=O)NCCSc2ccccc2)cc1 ZINC000002817649 563452587 /nfs/dbraw/zinc/45/25/87/563452587.db2.gz DJPPXDBGOVVLNZ-SDNWHVSQSA-N 0 0 339.504 4.906 50 0 EJAARN C[C@@H](CC(=O)Nc1nnc(C2CCCCC2)s1)c1ccccc1 ZINC000002819168 563452595 /nfs/dbraw/zinc/45/25/95/563452595.db2.gz SVPXMZMYETUJKI-ZDUSSCGKSA-N 0 0 329.469 4.718 50 0 EJAARN COc1ccc2c(c1)CCCN2C(=O)c1cc(Cl)cc(Cl)c1 ZINC000010541948 563452613 /nfs/dbraw/zinc/45/26/13/563452613.db2.gz ZZHKBLGDOYIGEB-UHFFFAOYSA-N 0 0 336.218 4.595 50 0 EJAARN O=C(Nc1ccccc1-c1ccccc1)c1ccc(Br)o1 ZINC000002823733 563452944 /nfs/dbraw/zinc/45/29/44/563452944.db2.gz MGAILJXWXNIMOH-UHFFFAOYSA-N 0 0 342.192 4.961 50 0 EJAARN Cc1cc(Oc2ccccc2)nc(SCCOc2ccccc2)n1 ZINC000002847054 563455268 /nfs/dbraw/zinc/45/52/68/563455268.db2.gz UXSBKLYKLNGOMT-UHFFFAOYSA-N 0 0 338.432 4.748 50 0 EJAARN CCCCc1ccc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000002849229 563455575 /nfs/dbraw/zinc/45/55/75/563455575.db2.gz BIHRITVOZKJSEZ-UHFFFAOYSA-N 0 0 338.451 4.876 50 0 EJAARN Cc1ccc(C)c(OCCNC(=O)c2ccccc2-c2ccccc2)c1 ZINC000002862621 563457403 /nfs/dbraw/zinc/45/74/03/563457403.db2.gz RXEJHGMXFYGUOF-UHFFFAOYSA-N 0 0 345.442 4.779 50 0 EJAARN CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000002862801 563457408 /nfs/dbraw/zinc/45/74/08/563457408.db2.gz YFCSATRLCOPWGF-HNNXBMFYSA-N 0 0 339.435 4.593 50 0 EJAARN Fc1ccc(OCCCOc2ccc(Cl)c3cccnc23)cc1 ZINC000002863144 563457645 /nfs/dbraw/zinc/45/76/45/563457645.db2.gz KLWYQYSHFCNCCT-UHFFFAOYSA-N 0 0 331.774 4.875 50 0 EJAARN Cc1ccc(C)c(NC(=O)c2ccccc2NC(=O)c2ccccc2)c1 ZINC000002868195 563458419 /nfs/dbraw/zinc/45/84/19/563458419.db2.gz WKCYZASXMUOSGV-UHFFFAOYSA-N 0 0 344.414 4.808 50 0 EJAARN COc1ccc2c(Cl)c(C(=O)N[C@H](C)C(C)(C)C)sc2c1 ZINC000002872866 563459394 /nfs/dbraw/zinc/45/93/94/563459394.db2.gz JZLYMCJKKWZTPZ-SECBINFHSA-N 0 0 325.861 4.728 50 0 EJAARN Cc1ccc(S[C@@H](C)C(=O)Nc2nc3ccccc3s2)cc1 ZINC000002881007 563460752 /nfs/dbraw/zinc/46/07/52/563460752.db2.gz HDKCZXGHCMAVDI-LBPRGKRZSA-N 0 0 328.462 4.724 50 0 EJAARN Cc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1Br ZINC000002883050 563461419 /nfs/dbraw/zinc/46/14/19/563461419.db2.gz TZVSURSWUXNUDF-UHFFFAOYSA-N 0 0 342.595 4.802 50 0 EJAARN COc1cccc([C@@H](CC(=O)c2ccccc2)[C@H]2CCCCC2=O)c1 ZINC000002911966 563463154 /nfs/dbraw/zinc/46/31/54/563463154.db2.gz UBMHPHNAKMZGGG-WOJBJXKFSA-N 0 0 336.431 4.811 50 0 EJAARN CCOc1ccccc1OCCCOc1ccccc1OC(C)C ZINC000002986931 563467456 /nfs/dbraw/zinc/46/74/56/563467456.db2.gz KVXNAEAPFAMLEM-UHFFFAOYSA-N 0 0 330.424 4.720 50 0 EJAARN CCCOc1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1 ZINC000002990795 563467811 /nfs/dbraw/zinc/46/78/11/563467811.db2.gz KOQXUEKSTXXCNW-GHRIWEEISA-N 0 0 339.416 4.716 50 0 EJAARN CCCCc1cc(=O)oc2cc(OCc3ccccc3F)ccc12 ZINC000002998635 563469147 /nfs/dbraw/zinc/46/91/47/563469147.db2.gz JTVOMCGYGZOHCC-UHFFFAOYSA-N 0 0 326.367 4.854 50 0 EJAARN COc1cc(C)c(NC(=O)[C@]2(C)CC2(Cl)Cl)cc1C(C)C ZINC000002999453 563469154 /nfs/dbraw/zinc/46/91/54/563469154.db2.gz NTVJECKTUYLQPR-HNNXBMFYSA-N 0 0 330.255 4.649 50 0 EJAARN COc1ccccc1NC(=O)C1C(c2ccccc2)=C1c1ccccc1 ZINC000003068158 563471083 /nfs/dbraw/zinc/47/10/83/563471083.db2.gz FHBPHNZQKIMKBI-UHFFFAOYSA-N 0 0 341.410 4.875 50 0 EJAARN COc1ccc(Cl)cc1C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000003107716 563472548 /nfs/dbraw/zinc/47/25/48/563472548.db2.gz TTWAKPAXOMPBLZ-UHFFFAOYSA-N 0 0 344.823 4.724 50 0 EJAARN Cc1ccc2nc(-c3ccc(NC(=O)c4ccncc4)cc3)sc2c1 ZINC000003189508 563475969 /nfs/dbraw/zinc/47/59/69/563475969.db2.gz ZFWXLHYALWLPNS-UHFFFAOYSA-N 0 0 345.427 4.919 50 0 EJAARN CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2ccccc2)c1 ZINC000003296243 563479228 /nfs/dbraw/zinc/47/92/28/563479228.db2.gz RZCYYWJVSPDOHD-FMIVXFBMSA-N 0 0 342.826 4.731 50 0 EJAARN CCc1[nH]nc(-c2cccc(Cl)c2)c1NC(=O)CC1CCCC1 ZINC000034794681 563479587 /nfs/dbraw/zinc/47/95/87/563479587.db2.gz KQJQNEJFVWGYTG-UHFFFAOYSA-N 0 0 331.847 4.811 50 0 EJAARN CCc1[nH]nc(-c2ccc(C)cc2C)c1NC(=O)CC1CCCC1 ZINC000034794821 563479974 /nfs/dbraw/zinc/47/99/74/563479974.db2.gz VFVVSLCUMFOBTF-UHFFFAOYSA-N 0 0 325.456 4.775 50 0 EJAARN CCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)c1ccc(F)cc1 ZINC000034795076 563480006 /nfs/dbraw/zinc/48/00/06/563480006.db2.gz RCFTVKXIZSNACF-UHFFFAOYSA-N 0 0 341.361 4.560 50 0 EJAARN CC(C)C(=O)Nc1c(-c2ccc(C(C)(C)C)cc2)n[nH]c1C1CC1 ZINC000034795810 563480363 /nfs/dbraw/zinc/48/03/63/563480363.db2.gz BVYNGNXTJYLGMN-UHFFFAOYSA-N 0 0 325.456 4.846 50 0 EJAARN CCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)Nc1ccccc1F ZINC000034796641 563480644 /nfs/dbraw/zinc/48/06/44/563480644.db2.gz DPIXHFYAUSGHLK-UHFFFAOYSA-N 0 0 342.349 4.561 50 0 EJAARN CC(C)c1[nH]nc(-c2ccc(F)cc2)c1NC(=O)Cc1ccccc1 ZINC000034796429 563480661 /nfs/dbraw/zinc/48/06/61/563480661.db2.gz XFCGTWSNEZIVRP-UHFFFAOYSA-N 0 0 337.398 4.520 50 0 EJAARN Cc1[nH]nc(-c2cccc(Cl)c2)c1NC(=O)c1ccccc1Cl ZINC000034796793 563481170 /nfs/dbraw/zinc/48/11/70/563481170.db2.gz HSRBIHXADRXQKI-UHFFFAOYSA-N 0 0 346.217 4.944 50 0 EJAARN CCn1nc(-c2cccc(Cl)c2)cc1C(=O)Nc1ccc(C)cc1 ZINC000034903498 563481192 /nfs/dbraw/zinc/48/11/92/563481192.db2.gz HUDALLQEOSDVAR-UHFFFAOYSA-N 0 0 339.826 4.784 50 0 EJAARN CCc1[nH]nc(-c2ccccc2)c1NC(=O)c1cccc(Cl)c1 ZINC000034796840 563481201 /nfs/dbraw/zinc/48/12/01/563481201.db2.gz AIIOOXXXIXCHLD-UHFFFAOYSA-N 0 0 325.799 4.545 50 0 EJAARN O=C(Nc1c(-c2ccco2)n[nH]c1-c1ccccc1)c1ccc(F)cc1 ZINC000034796893 563481202 /nfs/dbraw/zinc/48/12/02/563481202.db2.gz QTEBBDPZCDOSIM-UHFFFAOYSA-N 0 0 347.349 4.728 50 0 EJAARN CCC(=O)N1CCC[C@H]1c1nc2cc(-c3ccccc3F)ccc2o1 ZINC000034908153 563482024 /nfs/dbraw/zinc/48/20/24/563482024.db2.gz BBUMOQJIAPXSQA-KRWDZBQOSA-N 0 0 338.382 4.707 50 0 EJAARN COc1ccccc1NC(=O)Nc1ccc(Oc2ccccc2C)nc1 ZINC000034898350 563483243 /nfs/dbraw/zinc/48/32/43/563483243.db2.gz VEAHJRHSTZMZHS-UHFFFAOYSA-N 0 0 349.390 4.835 50 0 EJAARN CCCn1nc(-c2cc(C)sc2C)cc1C(=O)N1CCC(C)CC1 ZINC000034902445 563483886 /nfs/dbraw/zinc/48/38/86/563483886.db2.gz NPDVILQSDJBPMC-UHFFFAOYSA-N 0 0 345.512 4.511 50 0 EJAARN CCCCC(=O)Nc1c(-c2ccc(Cl)cc2)nc2ccccn21 ZINC000034912538 563484921 /nfs/dbraw/zinc/48/49/21/563484921.db2.gz IKZIXCSEEJHMOD-UHFFFAOYSA-N 0 0 327.815 4.783 50 0 EJAARN CCCC[C@H](CC)C(=O)Nc1c(-c2ccco2)nc2ccccn21 ZINC000034912624 563484948 /nfs/dbraw/zinc/48/49/48/563484948.db2.gz YFNRFRKFZRQMBY-AWEZNQCLSA-N 0 0 325.412 4.749 50 0 EJAARN Cc1ccc2nc(-c3cccc(Cl)c3)c(NC(=O)C3CCC3)n2c1 ZINC000034913232 563485130 /nfs/dbraw/zinc/48/51/30/563485130.db2.gz GLGUCKBWEKKWBS-UHFFFAOYSA-N 0 0 339.826 4.702 50 0 EJAARN CCCC(=O)Nc1c(-c2cccc(Cl)c2)nc2ccc(C)cn21 ZINC000034913210 563485141 /nfs/dbraw/zinc/48/51/41/563485141.db2.gz QZVYGHDCHUNZOC-UHFFFAOYSA-N 0 0 327.815 4.702 50 0 EJAARN Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1 ZINC000004320342 563500104 /nfs/dbraw/zinc/50/01/04/563500104.db2.gz IYQNEJZTLTVZFW-HXUWFJFHSA-N 0 0 332.378 4.905 50 0 EJAARN COc1ccc2c(c1)CC[C@H]1C2=NN(C)[C@H]1c1ccc(C(C)C)cc1 ZINC000004389087 563502263 /nfs/dbraw/zinc/50/22/63/563502263.db2.gz IRIXLCSAIUEHPF-UNMCSNQZSA-N 0 0 334.463 4.772 50 0 EJAARN Cc1cc(C)cc(-c2nnc3sc(/C=C/c4ccccc4)nn32)c1 ZINC000004667816 563507240 /nfs/dbraw/zinc/50/72/40/563507240.db2.gz MCIHKKWSCGLQFL-CMDGGOBGSA-N 0 0 332.432 4.640 50 0 EJAARN CCc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cc1 ZINC000004841203 563512762 /nfs/dbraw/zinc/51/27/62/563512762.db2.gz CRSRZRRYQNBGNZ-UHFFFAOYSA-N 0 0 343.386 4.705 50 0 EJAARN CC[C@H](C)C(=O)Nc1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 ZINC000004841011 563512823 /nfs/dbraw/zinc/51/28/23/563512823.db2.gz YLCDSZQMMGVTLZ-AWEZNQCLSA-N 0 0 335.407 4.697 50 0 EJAARN CCC(=O)Oc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000004842606 563513125 /nfs/dbraw/zinc/51/31/25/563513125.db2.gz HBXPHXYZKKHSBI-UHFFFAOYSA-N 0 0 338.190 4.561 50 0 EJAARN Cc1cc(Cl)c(OCCN2CCC(C)CC2)c(Br)c1 ZINC000004845337 563513617 /nfs/dbraw/zinc/51/36/17/563513617.db2.gz MWCWRCGJJILNFL-UHFFFAOYSA-N 0 0 346.696 4.522 50 0 EJAARN O=C([O-])c1ccc(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000004868592 563514223 /nfs/dbraw/zinc/51/42/23/563514223.db2.gz ASEQUUZPUHVCLM-UHFFFAOYSA-N 0 0 341.794 4.588 50 0 EJAARN COc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)cc1 ZINC000004868141 563514313 /nfs/dbraw/zinc/51/43/13/563514313.db2.gz BZKYMGWDWVLAMC-UHFFFAOYSA-N 0 0 329.705 4.620 50 0 EJAARN Cc1cccc(NC(=O)[C@H]2[C@@H](c3ccccc3)C2(Cl)Cl)c1C ZINC000004955920 563516226 /nfs/dbraw/zinc/51/62/26/563516226.db2.gz SIGDMDPKDYWZES-HZPDHXFCSA-N 0 0 334.246 4.829 50 0 EJAARN Cc1ccc(C)c(N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000004981022 563517052 /nfs/dbraw/zinc/51/70/52/563517052.db2.gz SNFYUAMRUKFOIG-UHFFFAOYSA-N 0 0 348.412 4.644 50 0 EJAARN COc1ccc(/C=C/c2nc(-c3ccc(Cl)cc3)no2)cc1OC ZINC000005065495 563520558 /nfs/dbraw/zinc/52/05/58/563520558.db2.gz ULVNFELMGIOLJD-ONNFQVAWSA-N 0 0 342.782 4.578 50 0 EJAARN CCCSc1nc(-c2ccc(OC)cc2)nc2c1COC(C)(C)C2 ZINC000005325030 563526801 /nfs/dbraw/zinc/52/68/01/563526801.db2.gz BUSVPERLVHHBPZ-UHFFFAOYSA-N 0 0 344.480 4.506 50 0 EJAARN O=C(Nc1nccs1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000005575241 563540814 /nfs/dbraw/zinc/54/08/14/563540814.db2.gz XTWZGRKXEVQUKD-UHFFFAOYSA-N 0 0 331.400 4.611 50 0 aggregator EJAARN CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1ccccc1 ZINC000005657042 563544101 /nfs/dbraw/zinc/54/41/01/563544101.db2.gz ORRALDYPDFHHER-UHFFFAOYSA-N 0 0 326.783 4.809 50 0 EJAARN COc1ccccc1Nc1nc(-c2ccc(OC)c(OC)c2)cs1 ZINC000005671186 563544850 /nfs/dbraw/zinc/54/48/50/563544850.db2.gz BBZUQZNJEGVJLH-UHFFFAOYSA-N 0 0 342.420 4.580 50 0 EJAARN Clc1ccc2c(c1)[C@H]1CC(c3ccco3)=NN1C1(CCCC1)O2 ZINC000005716138 563546961 /nfs/dbraw/zinc/54/69/61/563546961.db2.gz NRGYEWCDAHNGOH-OAHLLOKOSA-N 0 0 328.799 4.747 50 0 EJAARN CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCCC2)cc1 ZINC000006048159 563558060 /nfs/dbraw/zinc/55/80/60/563558060.db2.gz JDVCLFLCYWSFDI-HXUWFJFHSA-N 0 0 348.446 4.899 50 0 EJAARN CCOc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](C(C)C)O2 ZINC000006048360 563558093 /nfs/dbraw/zinc/55/80/93/563558093.db2.gz NXTMWQFQILLCDW-CTNGQTDRSA-N 0 0 336.435 4.611 50 0 EJAARN CC[C@@H](C)Nc1c2c(nc3c(-c4ccccc4)c(C)nn31)CCCC2 ZINC000002348355 563562691 /nfs/dbraw/zinc/56/26/91/563562691.db2.gz XZHXGFPECHMTOQ-CQSZACIVSA-N 0 0 334.467 4.794 50 0 EJAARN Cc1cc(NC(=O)C2(c3ccccc3)CCCC2)c2ccccc2n1 ZINC000006390067 563566964 /nfs/dbraw/zinc/56/69/64/563566964.db2.gz BINZLUDVTJLWCX-UHFFFAOYSA-N 0 0 330.431 4.994 50 0 EJAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccccc1C(F)(F)F ZINC000006392923 563567016 /nfs/dbraw/zinc/56/70/16/563567016.db2.gz DXQJOGUCDZIHGR-UHFFFAOYSA-N 0 0 333.231 4.977 50 0 EJAARN CSc1nc2ccccc2c(NCc2cccc(C(F)(F)F)c2)n1 ZINC000006408419 563567629 /nfs/dbraw/zinc/56/76/29/563567629.db2.gz XEDBOPLMBJANIM-UHFFFAOYSA-N 0 0 349.381 4.983 50 0 EJAARN Cc1ccc(S(=O)(=O)Cc2ccc(-c3ccccc3Cl)o2)cc1 ZINC000006426881 563567943 /nfs/dbraw/zinc/56/79/43/563567943.db2.gz PZFNPAIBVSNMFM-UHFFFAOYSA-N 0 0 346.835 4.882 50 0 EJAARN Cc1ccc2occ(CN3CC=C(c4ccc(F)cc4)CC3)c(=O)c2c1 ZINC000006667500 563577111 /nfs/dbraw/zinc/57/71/11/563577111.db2.gz WOGMCGRSBYEMQY-UHFFFAOYSA-N 0 0 349.405 4.530 50 0 EJAARN COc1ccccc1C(=O)Nc1ccc2c(c1)COc1ccccc1O2 ZINC000006668565 563577486 /nfs/dbraw/zinc/57/74/86/563577486.db2.gz JVUZOOJQUHUMJZ-UHFFFAOYSA-N 0 0 347.370 4.632 50 0 EJAARN O=C(Oc1ccccc1)c1cccnc1-c1nc2ccccc2s1 ZINC000006702008 563580100 /nfs/dbraw/zinc/58/01/00/563580100.db2.gz BYUISZJSMJEOOV-UHFFFAOYSA-N 0 0 332.384 4.578 50 0 EJAARN Cc1cccc(-c2nc(-c3cccc(NC(=O)c4ccco4)c3)no2)c1 ZINC000006702638 563580532 /nfs/dbraw/zinc/58/05/32/563580532.db2.gz DGTHYTWQUPUQHU-UHFFFAOYSA-N 0 0 345.358 4.557 50 0 EJAARN CCSc1ccccc1C(=O)Nc1nnc(C(C)(C)CC)s1 ZINC000006703209 563580829 /nfs/dbraw/zinc/58/08/29/563580829.db2.gz HFSKVBKJDWSIQC-UHFFFAOYSA-N 0 0 335.498 4.590 50 0 EJAARN Cc1noc(C)c1NC(=O)N([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000071911828 563589854 /nfs/dbraw/zinc/58/98/54/563589854.db2.gz GCXHXFLNCOXZLJ-NSHDSACASA-N 0 0 333.819 4.702 50 0 EJAARN Cc1ccc2nc(-c3ccccc3)c(NC(=O)c3ccccc3)n2c1 ZINC000006971050 563592649 /nfs/dbraw/zinc/59/26/49/563592649.db2.gz WGPJDFXKHICRBP-UHFFFAOYSA-N 0 0 327.387 4.562 50 0 EJAARN Cc1cccc(-c2nnn3c2nc(NCCC(C)C)c2ccccc23)c1 ZINC000002694178 563602027 /nfs/dbraw/zinc/60/20/27/563602027.db2.gz WZZLUYWMBYKJNI-UHFFFAOYSA-N 0 0 345.450 4.711 50 0 EJAARN Cc1ccc(C)c2sc(NC(=O)c3ccc4ncsc4c3)nc21 ZINC000002723932 563606307 /nfs/dbraw/zinc/60/63/07/563606307.db2.gz FZYSRGIXGZEZML-UHFFFAOYSA-N 0 0 339.445 4.775 50 0 EJAARN COc1ccccc1C(=O)Nc1nc2c(cc(Cl)cc2C)s1 ZINC000002713956 563606769 /nfs/dbraw/zinc/60/67/69/563606769.db2.gz WITRMMXXAGJUMY-UHFFFAOYSA-N 0 0 332.812 4.519 50 0 EJAARN CCCC[C@@H](CC)CNC(=O)[C@H](C)Oc1ccc(Cl)cc1C ZINC000002741509 563608635 /nfs/dbraw/zinc/60/86/35/563608635.db2.gz ZUHBJWDLYMASGY-LSDHHAIUSA-N 0 0 325.880 4.748 50 0 EJAARN CC1CCN(C(=O)[C@@H](Sc2ccccc2)c2ccccc2)CC1 ZINC000002734345 563609789 /nfs/dbraw/zinc/60/97/89/563609789.db2.gz ALWIQVNDADMOPG-IBGZPJMESA-N 0 0 325.477 4.779 50 0 EJAARN Cc1ccc([C@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 ZINC000002763364 563610779 /nfs/dbraw/zinc/61/07/79/563610779.db2.gz GASOQAAUMNRJGW-INIZCTEOSA-N 0 0 325.452 4.549 50 0 EJAARN Cc1ccc2nc(NC(=O)[C@H](C)Oc3ccccc3Cl)sc2c1 ZINC000002764866 563610809 /nfs/dbraw/zinc/61/08/09/563610809.db2.gz RNPVDGKWFBETGY-NSHDSACASA-N 0 0 346.839 4.664 50 0 EJAARN O=C(NCCC(c1ccccc1)c1ccccc1)c1ccccc1F ZINC000002748442 563611639 /nfs/dbraw/zinc/61/16/39/563611639.db2.gz IYAQXVUAMKAQCX-UHFFFAOYSA-N 0 0 333.406 4.778 50 0 EJAARN CCc1nnc(NC(=O)c2sc3cc(C)ccc3c2Cl)s1 ZINC000002757118 563612428 /nfs/dbraw/zinc/61/24/28/563612428.db2.gz JCFMJRZRIDHQNL-UHFFFAOYSA-N 0 0 337.857 4.529 50 0 EJAARN Cc1cc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)F)n2n1 ZINC000002784410 563612695 /nfs/dbraw/zinc/61/26/95/563612695.db2.gz OAXKRGCEGWKPFQ-UHFFFAOYSA-N 0 0 328.149 4.949 50 0 EJAARN CC[C@@H](C)c1ccc([C@@H](CC)NS(=O)(=O)c2cccs2)cc1 ZINC000002774865 563614493 /nfs/dbraw/zinc/61/44/93/563614493.db2.gz RKQTUEKIKVHFBS-CZUORRHYSA-N 0 0 337.510 4.691 50 0 EJAARN COc1ccc2ccccc2c1[C@H]1NN=C(c2ccc(C)cc2)S1 ZINC000002987399 563623503 /nfs/dbraw/zinc/62/35/03/563623503.db2.gz XBOZWXYHDHAUJS-FQEVSTJZSA-N 0 0 334.444 4.854 50 0 EJAARN Cc1ccc(Oc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000003012168 563625445 /nfs/dbraw/zinc/62/54/45/563625445.db2.gz NGNPLODTCODMCP-UHFFFAOYSA-N 0 0 329.355 4.588 50 0 EJAARN CCCCn1c2ccccc2n2c1nc(C)c2C(=O)c1cccs1 ZINC000008469209 563630758 /nfs/dbraw/zinc/63/07/58/563630758.db2.gz SPHKXUUQQRKQLC-UHFFFAOYSA-N 0 0 337.448 4.690 50 0 EJAARN Nc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 ZINC000008536493 563631891 /nfs/dbraw/zinc/63/18/91/563631891.db2.gz KVIYSVXFZOEINO-UHFFFAOYSA-N 0 0 330.366 4.527 50 0 in-vitro EJAARN O=C(Nc1ccc(Cl)c(Cl)c1)OCCCc1ccncc1 ZINC000008642579 563634015 /nfs/dbraw/zinc/63/40/15/563634015.db2.gz RESRDRNTMCLTHH-UHFFFAOYSA-N 0 0 325.195 4.570 50 0 EJAARN S=C1N=C2C(=Cc3ccccc3)CCCC2[C@H](c2ccccc2)N1 ZINC000008691602 563635621 /nfs/dbraw/zinc/63/56/21/563635621.db2.gz OIWFTKSWHDPJCN-FLXZHSAZSA-N 0 0 332.472 4.727 50 0 aggregator EJAARN Cc1cc2c(-c3nnnn3-c3ccc4ccccc4c3)c[nH]c2c(C)c1 ZINC000008702094 563636109 /nfs/dbraw/zinc/63/61/09/563636109.db2.gz ZLZRZIWJUVEKJI-UHFFFAOYSA-N 0 0 339.402 4.581 50 0 EJAARN CCOc1ccc2nc(NC(=O)Nc3ccc(Cl)cc3)sc2c1 ZINC000009111593 563641886 /nfs/dbraw/zinc/64/18/86/563641886.db2.gz VOSUGXHKJXEDGL-UHFFFAOYSA-N 0 0 347.827 4.992 50 0 EJAARN Cc1ccccc1[C@@H]1CC(=O)Nc2n[nH]c(-c3ccc(Cl)cc3)c21 ZINC000009546544 563644323 /nfs/dbraw/zinc/64/43/23/563644323.db2.gz OKGOSBCJQGNRTC-HNNXBMFYSA-N 0 0 337.810 4.513 50 0 EJAARN Cc1nc(/C=C/C(=O)Nc2nc(-c3ccccc3C)cs2)cs1 ZINC000032561345 563649223 /nfs/dbraw/zinc/64/92/23/563649223.db2.gz XUKLHCHNYWFVOV-BQYQJAHWSA-N 0 0 341.461 4.535 50 0 EJAARN Clc1ccc(-c2nnc3sc(/C=C/c4ccccc4)nn32)cc1 ZINC000012653858 563667067 /nfs/dbraw/zinc/66/70/67/563667067.db2.gz GMVDMBXXYVZJNA-IZZDOVSWSA-N 0 0 338.823 4.677 50 0 EJAARN CC(C)CC(=O)Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000032623243 563669817 /nfs/dbraw/zinc/66/98/17/563669817.db2.gz DQWUJNBZANRNFK-UHFFFAOYSA-N 0 0 339.370 4.527 50 0 EJAARN C[C@@H](c1ccccc1)N(C)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000012795224 563672686 /nfs/dbraw/zinc/67/26/86/563672686.db2.gz PVGHQXFGEJOJJV-HNNXBMFYSA-N 0 0 332.447 4.880 50 0 EJAARN O=C(Nc1cccc2ncccc21)c1cc(-c2ccc(Cl)cc2)on1 ZINC000012801372 563673731 /nfs/dbraw/zinc/67/37/31/563673731.db2.gz MIFXLGNKJLXKHY-UHFFFAOYSA-N 0 0 349.777 4.796 50 0 EJAARN O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1cccnc1 ZINC000012800547 563673779 /nfs/dbraw/zinc/67/37/79/563673779.db2.gz PHEJRIIOSXYFIO-UHFFFAOYSA-N 0 0 347.399 4.736 50 0 EJAARN Cc1cc(OCCCC(=O)N[C@H](C)c2cccs2)ccc1Cl ZINC000012804831 563674157 /nfs/dbraw/zinc/67/41/57/563674157.db2.gz FMMUUVSLOHOUQR-CYBMUJFWSA-N 0 0 337.872 4.746 50 0 EJAARN Cc1cc(-c2nc3ccccc3[nH]2)ccc1NC(=O)c1ccccc1F ZINC000012857262 563675845 /nfs/dbraw/zinc/67/58/45/563675845.db2.gz XJHVKAGWHOLJOW-UHFFFAOYSA-N 0 0 345.377 4.930 50 0 EJAARN Cc1cc(C(=O)N(CCc2ccccc2)Cc2cccs2)c(C)o1 ZINC000032678901 563677420 /nfs/dbraw/zinc/67/74/20/563677420.db2.gz ZNVHSFAWXKMBOH-UHFFFAOYSA-N 0 0 339.460 4.843 50 0 EJAARN Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(C)c(C)c3)c12 ZINC000012924723 563677474 /nfs/dbraw/zinc/67/74/74/563677474.db2.gz UDWGCZRAVZUFRZ-UHFFFAOYSA-N 0 0 347.374 4.660 50 0 EJAARN c1s/c(=N\c2ccccc2)n(Cc2cccnc2)c1-c1ccccc1 ZINC000012969853 563678964 /nfs/dbraw/zinc/67/89/64/563678964.db2.gz SPGWDSRXEQHWPK-LNVKXUELSA-N 0 0 343.455 4.892 50 0 EJAARN COc1cc(SC)ccc1C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000012974830 563680169 /nfs/dbraw/zinc/68/01/69/563680169.db2.gz OQDFPVRJDKFFRU-GFCCVEGCSA-N 0 0 341.432 4.654 50 0 EJAARN CC(=O)c1ccc(NC(=O)c2sc(-c3ccsc3)nc2C)cc1 ZINC000012982212 563681665 /nfs/dbraw/zinc/68/16/65/563681665.db2.gz XDNNEFTUPRYKMC-UHFFFAOYSA-N 0 0 342.445 4.635 50 0 EJAARN Cc1nc(-c2ccsc2)sc1C(=O)NCc1ccc(F)c(C)c1 ZINC000012999727 563684542 /nfs/dbraw/zinc/68/45/42/563684542.db2.gz KPNSSJGQMHSCER-UHFFFAOYSA-N 0 0 346.452 4.558 50 0 EJAARN COc1cc(C(=O)Oc2c(C)cccc2C)cc(Cl)c1OC(C)C ZINC000013042154 563686471 /nfs/dbraw/zinc/68/64/71/563686471.db2.gz WJQWWHXNRAPPIQ-UHFFFAOYSA-N 0 0 348.826 4.972 50 0 EJAARN O=C(Nc1ccccc1)C1C[C@H]2CCC[C@@H](C1)C21SCCS1 ZINC000013098680 563687620 /nfs/dbraw/zinc/68/76/20/563687620.db2.gz FHAITFBDCKOGLF-GOOCMWNKSA-N 0 0 333.522 4.628 50 0 EJAARN C(c1ccccc1)=C1CCCC2C1=Nc1ncnn1[C@@H]2c1ccccc1 ZINC000013122965 563688956 /nfs/dbraw/zinc/68/89/56/563688956.db2.gz SAYZCJZXFRGCCR-IYYMRFBLSA-N 0 0 340.430 4.815 50 0 EJAARN Oc1ccccc1C1=Nc2nc3ccccc3n2[C@H](c2ccccc2)C1 ZINC000013127818 563689940 /nfs/dbraw/zinc/68/99/40/563689940.db2.gz ANQWQLGUIIXYDF-FQEVSTJZSA-N 0 0 339.398 4.856 50 0 EJAARN CCOC(=O)n1c2ccccc2nc1[C@H](C)Oc1ccc(Cl)cc1 ZINC000013229555 563692644 /nfs/dbraw/zinc/69/26/44/563692644.db2.gz MYCZMIGCVFPALG-LBPRGKRZSA-N 0 0 344.798 4.834 50 0 EJAARN O=C(Cc1c(F)cccc1Cl)Nc1cccc(Cl)c1Cl ZINC000013326505 563695241 /nfs/dbraw/zinc/69/52/41/563695241.db2.gz FUAIKPULBFFXMA-UHFFFAOYSA-N 0 0 332.589 4.967 50 0 EJAARN O=C(NCCc1ccc(Cl)cc1)c1c(Cl)cccc1Cl ZINC000013327877 563695702 /nfs/dbraw/zinc/69/57/02/563695702.db2.gz NSKAGHIBCGPLDS-UHFFFAOYSA-N 0 0 328.626 4.619 50 0 EJAARN CCN(C(=O)Cc1csc(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000032714751 563696650 /nfs/dbraw/zinc/69/66/50/563696650.db2.gz CNWMYIUVFBHCBX-UHFFFAOYSA-N 0 0 340.423 4.545 50 0 EJAARN C[C@@H]1CCCCN1C(=O)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC000013640780 563705951 /nfs/dbraw/zinc/70/59/51/563705951.db2.gz GEUCYEGKZWPFIO-SNVBAGLBSA-N 0 0 339.222 4.663 50 0 EJAARN O=C(Nc1ccccc1)c1cc2ccccc2o/c1=N\c1ccccc1 ZINC000013764838 563721829 /nfs/dbraw/zinc/72/18/29/563721829.db2.gz WLQVBVUOYVGFIR-GYHWCHFESA-N 0 0 340.382 4.918 50 0 EJAARN CC[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(OC)cc3)=NN21 ZINC000013810952 563724143 /nfs/dbraw/zinc/72/41/43/563724143.db2.gz YWQCDIMSKAEIPY-IEBWSBKVSA-N 0 0 342.826 4.628 50 0 EJAARN C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc2ccccc2n1 ZINC000032753913 563727235 /nfs/dbraw/zinc/72/72/35/563727235.db2.gz OGTNHWGHUWOXQV-CQSZACIVSA-N 0 0 330.387 4.814 50 0 EJAARN CC(C)c1noc([C@@H](C)Sc2ncc(-c3ccc(F)cc3)o2)n1 ZINC000032761082 563728340 /nfs/dbraw/zinc/72/83/40/563728340.db2.gz HFARWGOKQGFQAH-SNVBAGLBSA-N 0 0 333.388 4.840 50 0 EJAARN Clc1cccc(Cl)c1OCc1noc(-c2cccs2)n1 ZINC000032765460 563729623 /nfs/dbraw/zinc/72/96/23/563729623.db2.gz LWGRYDGJFYQTRZ-UHFFFAOYSA-N 0 0 327.192 4.684 50 0 EJAARN Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3nccnc3c2)n1 ZINC000013980772 563734325 /nfs/dbraw/zinc/73/43/25/563734325.db2.gz DKPQHFZUICCZHF-UHFFFAOYSA-N 0 0 343.434 4.688 50 0 in-vivo EJAARN COc1ccc2c(CC(=O)N[C@H](C)c3cc4ccccc4o3)coc2c1 ZINC000014071452 563737771 /nfs/dbraw/zinc/73/77/71/563737771.db2.gz KVUQZEOSTDKVSW-CYBMUJFWSA-N 0 0 349.386 4.608 50 0 EJAARN CC1CCN(C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)CC1 ZINC000014084663 563738438 /nfs/dbraw/zinc/73/84/38/563738438.db2.gz NKIOCDJCPJKSKD-UHFFFAOYSA-N 0 0 348.421 4.913 50 0 EJAARN C[C@@H](NC(=O)CCC(=O)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000014118866 563742821 /nfs/dbraw/zinc/74/28/21/563742821.db2.gz WHMAHWMWJJKZDL-CYBMUJFWSA-N 0 0 349.352 4.546 50 0 EJAARN Fc1cccc(CSc2nnc(-c3c[nH]c4ccccc43)o2)c1F ZINC000014141234 563745225 /nfs/dbraw/zinc/74/52/25/563745225.db2.gz LOZDQZUTDBMHET-UHFFFAOYSA-N 0 0 343.358 4.788 50 0 EJAARN Cc1nc(NC(=O)CSCc2ccccc2)c(Cl)cc1Cl ZINC000014166994 563746340 /nfs/dbraw/zinc/74/63/40/563746340.db2.gz AGDWVDFYTWBHPO-UHFFFAOYSA-N 0 0 341.263 4.569 50 0 EJAARN O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(Cl)cc1 ZINC000014201279 563750507 /nfs/dbraw/zinc/75/05/07/563750507.db2.gz GHRSKKZQDYQDKH-UHFFFAOYSA-N 0 0 326.783 4.566 50 0 EJAARN O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1cccs1 ZINC000014249237 563755555 /nfs/dbraw/zinc/75/55/55/563755555.db2.gz DRQIINJZYZUKEZ-UHFFFAOYSA-N 0 0 340.429 4.548 50 0 EJAARN C[C@@H](Cc1cccs1)N(Cc1ccccc1)C(=O)c1ccoc1 ZINC000032841403 563760957 /nfs/dbraw/zinc/76/09/57/563760957.db2.gz NKJOWAHYGSPDKJ-HNNXBMFYSA-N 0 0 325.433 4.615 50 0 EJAARN C[C@@H](OC(=O)c1ccc2ccccc2c1)C(=O)c1cccc(Cl)c1 ZINC000014681763 563763058 /nfs/dbraw/zinc/76/30/58/563763058.db2.gz LTVRSXLHFMOKQA-CYBMUJFWSA-N 0 0 338.790 4.921 50 0 EJAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(Cl)nc1 ZINC000014709141 563763431 /nfs/dbraw/zinc/76/34/31/563763431.db2.gz KSOUEEDHMYHURP-UHFFFAOYSA-N 0 0 349.777 4.796 50 0 EJAARN CCc1ccc2nc(NC(=O)c3ccc(F)cc3Cl)sc2c1 ZINC000014794446 563764515 /nfs/dbraw/zinc/76/45/15/563764515.db2.gz PBUALOHEGUINJC-UHFFFAOYSA-N 0 0 334.803 4.904 50 0 EJAARN Cc1oc(-c2ccccc2)nc1CC(=O)Oc1ccc(Cl)cc1C ZINC000014898897 563766845 /nfs/dbraw/zinc/76/68/45/563766845.db2.gz FMMOMBMZOHEYDF-UHFFFAOYSA-N 0 0 341.794 4.760 50 0 EJAARN O=C1S/C(=C\C=C\c2ccco2)C(=O)N1c1ccc(Cl)cc1 ZINC000015009912 563771408 /nfs/dbraw/zinc/77/14/08/563771408.db2.gz BGXCCJGAZYCDQL-NQDFZQDQSA-N 0 0 331.780 4.730 50 0 EJAARN Cc1ccc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)s1 ZINC000015010432 563771562 /nfs/dbraw/zinc/77/15/62/563771562.db2.gz BZPUBTUEPBKQRE-JYRVWZFOSA-N 0 0 335.837 4.951 50 0 EJAARN O=C1Nc2ccc(Cl)cc2[C@H]1Cc1ccc(C(F)(F)F)cc1 ZINC000015017809 563773315 /nfs/dbraw/zinc/77/33/15/563773315.db2.gz CCJSERKICJBQIZ-CYBMUJFWSA-N 0 0 325.717 4.637 50 0 EJAARN CC(C)(C)[C@H]1CCc2c(sc3c2[C@@H](c2cccnc2)CC(=O)N3)C1 ZINC000015106485 563777877 /nfs/dbraw/zinc/77/78/77/563777877.db2.gz YRKWTXYCIYWYJZ-DZGCQCFKSA-N 0 0 340.492 4.768 50 0 EJAARN C[C@@H](Nc1ncnc2scc(-c3ccccc3)c21)c1ccccn1 ZINC000015171935 563779146 /nfs/dbraw/zinc/77/91/46/563779146.db2.gz FIBZVJIQGIKIRE-CYBMUJFWSA-N 0 0 332.432 4.926 50 0 EJAARN CN(Cc1nc(-c2ccc(Cl)cc2)no1)Cc1ccc(Cl)cc1 ZINC000015301769 563781529 /nfs/dbraw/zinc/78/15/29/563781529.db2.gz RFPQTUXLYYGRRD-UHFFFAOYSA-N 0 0 348.233 4.675 50 0 EJAARN O=C(CSCc1cccs1)Nc1ccccc1N1CCCCC1 ZINC000032891003 563782385 /nfs/dbraw/zinc/78/23/85/563782385.db2.gz IDYNDXBSJJESHP-UHFFFAOYSA-N 0 0 346.521 4.610 50 0 EJAARN Cc1nc2ccc(N[C@@H](C)c3nnc(-c4ccccc4)o3)cc2s1 ZINC000015510716 563785625 /nfs/dbraw/zinc/78/56/25/563785625.db2.gz UGYCIMQKZRVQQK-NSHDSACASA-N 0 0 336.420 4.828 50 0 EJAARN c1coc(-c2nc(CN3CCc4sccc4[C@H]3C3CC3)cs2)c1 ZINC000032900937 563787222 /nfs/dbraw/zinc/78/72/22/563787222.db2.gz MAJKWZLTNQCBFF-QGZVFWFLSA-N 0 0 342.489 4.974 50 0 EJAARN COc1ccc([C@H]2CCCN2C(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000015574312 563787235 /nfs/dbraw/zinc/78/72/35/563787235.db2.gz HNWDRPSTVKPNFG-OAQYLSRUSA-N 0 0 335.447 4.551 50 0 EJAARN Cc1nc2cc(NC(=O)Cc3coc4c3ccc(C)c4C)ccc2o1 ZINC000015594649 563788034 /nfs/dbraw/zinc/78/80/34/563788034.db2.gz VJCPNRKNBPYHJY-UHFFFAOYSA-N 0 0 334.375 4.680 50 0 EJAARN Cn1cccc1[C@H]1CCCCCN1C(=O)c1ccc(F)cc1Cl ZINC000032903503 563789203 /nfs/dbraw/zinc/78/92/03/563789203.db2.gz NYXPJWBYIURYPC-QGZVFWFLSA-N 0 0 334.822 4.575 50 0 EJAARN CCCCn1c2ccccc2nc1SCC(=O)c1cccs1 ZINC000015659134 563789552 /nfs/dbraw/zinc/78/95/52/563789552.db2.gz QEICAIFGPNZAOO-UHFFFAOYSA-N 0 0 330.478 4.873 50 0 EJAARN CC(C)(C)c1ccc(C(=O)N(Cc2ccco2)c2ccccn2)cc1 ZINC000015669837 563789977 /nfs/dbraw/zinc/78/99/77/563789977.db2.gz ZFDAHLGRZCFRHW-UHFFFAOYSA-N 0 0 334.419 4.819 50 0 EJAARN Cc1ccc(-c2nc(CNC(=O)c3ccccc3Cl)cs2)cc1 ZINC000015832471 563793701 /nfs/dbraw/zinc/79/37/01/563793701.db2.gz XWCGWBVHFSAYRM-UHFFFAOYSA-N 0 0 342.851 4.702 50 0 EJAARN Cc1cc(O[C@@H](C)C(=O)Nc2cccc3cccnc32)ccc1Cl ZINC000015835418 563794085 /nfs/dbraw/zinc/79/40/85/563794085.db2.gz IZEJJMYYJCUFHB-ZDUSSCGKSA-N 0 0 340.810 4.603 50 0 EJAARN CC(C)(C)c1ccc(C(=O)N[C@@H](c2ccccc2)c2cccnc2)cc1 ZINC000015839593 563794891 /nfs/dbraw/zinc/79/48/91/563794891.db2.gz IIZYVUMBHCOXEY-NRFANRHFSA-N 0 0 344.458 4.899 50 0 EJAARN Cc1ccc([C@@H]2CCCCCN2C(=O)NCc2ccccc2)s1 ZINC000015867083 563798622 /nfs/dbraw/zinc/79/86/22/563798622.db2.gz YWXQQPPDTXHWFF-KRWDZBQOSA-N 0 0 328.481 4.883 50 0 EJAARN C[C@@H](SCc1c(F)cccc1Cl)C(=O)Nc1ccccc1F ZINC000032907782 563799683 /nfs/dbraw/zinc/79/96/83/563799683.db2.gz NSEMJYWEWLCGNP-SNVBAGLBSA-N 0 0 341.810 4.879 50 0 EJAARN Cc1c(C(=O)Nc2cccc(F)c2)sc2nc(C3CC3)nc(C)c12 ZINC000032908078 563800091 /nfs/dbraw/zinc/80/00/91/563800091.db2.gz FYFBOEWWALQGIK-UHFFFAOYSA-N 0 0 341.411 4.577 50 0 EJAARN CN(C(=O)c1cnc(Cl)c(Cl)c1)c1ccc2ccccc2c1 ZINC000016011599 563802098 /nfs/dbraw/zinc/80/20/98/563802098.db2.gz VDRHLLBQZGRBFB-UHFFFAOYSA-N 0 0 331.202 4.818 50 0 EJAARN Cc1cccc([C@@H](CC(=O)NCc2ccccc2)c2ccccc2)c1O ZINC000016212243 563805929 /nfs/dbraw/zinc/80/59/29/563805929.db2.gz VZXOALWLOARDOC-NRFANRHFSA-N 0 0 345.442 4.539 50 0 EJAARN CCSc1cccc(C(=O)Nc2nc3ccc(F)cc3s2)c1 ZINC000004585768 563806712 /nfs/dbraw/zinc/80/67/12/563806712.db2.gz QBCFIHWONCZGKF-UHFFFAOYSA-N 0 0 332.425 4.800 50 0 EJAARN O=C(NCc1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1Cl ZINC000016301202 563808132 /nfs/dbraw/zinc/80/81/32/563808132.db2.gz XDTIMKWUQVCCSY-UHFFFAOYSA-N 0 0 348.151 4.942 50 0 EJAARN C[C@@H](c1cccs1)N(C)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000016435156 563811269 /nfs/dbraw/zinc/81/12/69/563811269.db2.gz NPOPINBMOFXLBW-NSHDSACASA-N 0 0 333.844 4.645 50 0 EJAARN C[C@H](c1cccs1)N(C)Cc1nc(-c2ccccc2Cl)no1 ZINC000016435158 563811366 /nfs/dbraw/zinc/81/13/66/563811366.db2.gz WZJKQYYGDZXQGZ-LLVKDONJSA-N 0 0 333.844 4.645 50 0 EJAARN Cc1ccc(OCCCn2c3ccccc3nc2[C@@H]2CCCO2)cc1 ZINC000016577538 563814830 /nfs/dbraw/zinc/81/48/30/563814830.db2.gz BVDRJKLIJDHYIY-FQEVSTJZSA-N 0 0 336.435 4.665 50 0 EJAARN CC(C)c1ccc(NC(=O)CCCc2nc(-c3ccccc3)no2)cc1 ZINC000016575890 563814848 /nfs/dbraw/zinc/81/48/48/563814848.db2.gz QMNJDGMCVDIQQT-UHFFFAOYSA-N 0 0 349.434 4.821 50 0 EJAARN CC(C)c1nnc(NC(=O)c2ccc(Oc3ccccc3)cc2)s1 ZINC000016965610 563827282 /nfs/dbraw/zinc/82/72/82/563827282.db2.gz AGAFMLXQCHZWCV-UHFFFAOYSA-N 0 0 339.420 4.706 50 0 EJAARN Cc1ccc(OC(F)F)c(NC(=O)Nc2ccc(F)cc2F)c1 ZINC000017067185 563831300 /nfs/dbraw/zinc/83/13/00/563831300.db2.gz DUHKGKBHHKJJSV-UHFFFAOYSA-N 0 0 328.265 4.519 50 0 EJAARN C[C@@H](NC(=O)[C@]1(C)CC1(Cl)Cl)c1ccc(C(C)(C)C)cc1 ZINC000017067190 563831302 /nfs/dbraw/zinc/83/13/02/563831302.db2.gz OPRZMNMSKRRJBT-BZNIZROVSA-N 0 0 328.283 4.745 50 0 EJAARN Cc1scc(-c2nnc(SCc3ccc(C)cc3)n2C)c1C ZINC000017067598 563831657 /nfs/dbraw/zinc/83/16/57/563831657.db2.gz MIEDAPSLRJZSBZ-UHFFFAOYSA-N 0 0 329.494 4.761 50 0 EJAARN O=S(=O)(NC1CCCCCCCCCCC1)c1cccs1 ZINC000017067603 563831721 /nfs/dbraw/zinc/83/17/21/563831721.db2.gz UUPVJQQEADGWQA-UHFFFAOYSA-N 0 0 329.531 4.700 50 0 EJAARN Cc1cnc(NC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)s1 ZINC000017070544 563832773 /nfs/dbraw/zinc/83/27/73/563832773.db2.gz LQYGUEXGYJGEOU-LBPRGKRZSA-N 0 0 334.510 4.916 50 0 EJAARN CCC(=O)Nc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000017070826 563833440 /nfs/dbraw/zinc/83/34/40/563833440.db2.gz SLKBQDYGDQQZBB-UHFFFAOYSA-N 0 0 337.206 4.594 50 0 EJAARN Cc1cc(OC(C)(C)c2n[nH]c(=S)n2CC(C)C)ccc1Cl ZINC000017071179 563834221 /nfs/dbraw/zinc/83/42/21/563834221.db2.gz GTNCIGIUBBAYRT-UHFFFAOYSA-N 0 0 339.892 4.873 50 0 EJAARN CCCCc1ccc(N2C(=O)CS[C@@H]2c2ccccc2F)cc1 ZINC000017198475 563840277 /nfs/dbraw/zinc/84/02/77/563840277.db2.gz PNXSLLGWXJCXFQ-LJQANCHMSA-N 0 0 329.440 4.947 50 0 EJAARN CCc1cc(C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)sc1C ZINC000032930676 563841358 /nfs/dbraw/zinc/84/13/58/563841358.db2.gz RDAHEWDSUGJNAD-UHFFFAOYSA-N 0 0 342.464 4.528 50 0 EJAARN Fc1cc2c(cc1F)N(Cc1csc(-c3ccsc3)n1)CC2 ZINC000032935637 563845070 /nfs/dbraw/zinc/84/50/70/563845070.db2.gz FDCFVZYFFKULGB-UHFFFAOYSA-N 0 0 334.416 4.713 50 0 EJAARN Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)Nc3ccccc3)c12 ZINC000010641789 563852897 /nfs/dbraw/zinc/85/28/97/563852897.db2.gz BHGCCYMRJZEDPU-UHFFFAOYSA-N 0 0 343.386 4.759 50 0 EJAARN Cc1ccccc1-n1ccnc1SCc1nc2ccccc2nc1C ZINC000048235047 563859018 /nfs/dbraw/zinc/85/90/18/563859018.db2.gz DUXZPEKLYDSLFK-UHFFFAOYSA-N 0 0 346.459 4.725 50 0 EJAARN CCOc1ccc(-c2nc3ccccc3c(N3CCC[C@@H](C)C3)n2)cc1 ZINC000023304493 563866448 /nfs/dbraw/zinc/86/64/48/563866448.db2.gz UXJMMPZKSBSFBA-MRXNPFEDSA-N 0 0 347.462 4.932 50 0 EJAARN Fc1ccc(-c2cnc(CN3CCSc4ccccc43)o2)cc1 ZINC000023707253 563867265 /nfs/dbraw/zinc/86/72/65/563867265.db2.gz SLFYXSNVUHBPFP-UHFFFAOYSA-N 0 0 326.396 4.593 50 0 EJAARN O=C(CCc1ccco1)Nc1nc(-c2ccccc2Cl)cs1 ZINC000024008807 563868152 /nfs/dbraw/zinc/86/81/52/563868152.db2.gz WZPKISVLDYWJLR-UHFFFAOYSA-N 0 0 332.812 4.628 50 0 EJAARN COc1cc(C)c(NC(=O)c2cc3c(cccc3F)s2)cc1OC ZINC000024004872 563868198 /nfs/dbraw/zinc/86/81/98/563868198.db2.gz LNBRARLSQRZIAZ-UHFFFAOYSA-N 0 0 345.395 4.618 50 0 EJAARN Cc1ccc(C)c([C@@H](C)NC(=O)CCc2ncc(-c3ccccc3)o2)c1 ZINC000024961330 563878140 /nfs/dbraw/zinc/87/81/40/563878140.db2.gz YVFTXOFPBIMCSA-QGZVFWFLSA-N 0 0 348.446 4.768 50 0 EJAARN CC[C@@H](C)c1ccc(N[C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000024986469 563879151 /nfs/dbraw/zinc/87/91/51/563879151.db2.gz VBHCVSAQYJIXIG-CHWSQXEVSA-N 0 0 331.847 4.688 50 0 EJAARN O=C(c1cc2c(cccc2F)s1)N1CCC[C@@H]1Cc1ccccc1 ZINC000025518749 563885336 /nfs/dbraw/zinc/88/53/36/563885336.db2.gz ZVFTWDDTKMUKEH-OAHLLOKOSA-N 0 0 339.435 4.888 50 0 EJAARN COc1ccc(C(=O)N2CCC(c3ccccc3)CC2)c2ccccc12 ZINC000025520966 563885451 /nfs/dbraw/zinc/88/54/51/563885451.db2.gz WDUUHWJIUCNUGD-UHFFFAOYSA-N 0 0 345.442 4.868 50 0 EJAARN COc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccco3)=NN21 ZINC000025559824 563885829 /nfs/dbraw/zinc/88/58/29/563885829.db2.gz VDKTYIPSFHXBCZ-UTKZUKDTSA-N 0 0 346.386 4.531 50 0 EJAARN O=C(CCc1ccccc1F)N[C@@H](c1cccs1)c1ccccc1 ZINC000025603172 563886423 /nfs/dbraw/zinc/88/64/23/563886423.db2.gz XQMKQBPKJSPYHZ-HXUWFJFHSA-N 0 0 339.435 4.726 50 0 EJAARN Cc1ccc(-c2nnc(CN[C@H](c3ccc(F)cc3)C(C)C)o2)cc1 ZINC000025928661 563889148 /nfs/dbraw/zinc/88/91/48/563889148.db2.gz KUGOIGHMXBJWJA-IBGZPJMESA-N 0 0 339.414 4.671 50 0 EJAARN Cc1ccccc1CC(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000025932022 563889182 /nfs/dbraw/zinc/88/91/82/563889182.db2.gz CINGNHNRMMEJEY-UHFFFAOYSA-N 0 0 332.403 4.709 50 0 EJAARN COCc1ccccc1CNC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000026389479 563891490 /nfs/dbraw/zinc/89/14/90/563891490.db2.gz LCKFHNBODOIFJV-INIZCTEOSA-N 0 0 348.446 4.547 50 0 EJAARN COCc1ccccc1CNC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000026389482 563891520 /nfs/dbraw/zinc/89/15/20/563891520.db2.gz LCKFHNBODOIFJV-MRXNPFEDSA-N 0 0 348.446 4.547 50 0 EJAARN CC(=O)c1ccc(OCc2coc(-c3cccc(Cl)c3)n2)cc1 ZINC000026776746 563893219 /nfs/dbraw/zinc/89/32/19/563893219.db2.gz RNOMOYORGFEUMP-UHFFFAOYSA-N 0 0 327.767 4.777 50 0 EJAARN CN(C(=O)c1cc2cc(Cl)ccc2o1)c1nc2ccccc2s1 ZINC000026965891 563894117 /nfs/dbraw/zinc/89/41/17/563894117.db2.gz PCZCKRFBMOBBPI-UHFFFAOYSA-N 0 0 342.807 4.973 50 0 EJAARN O=c1c(C(F)(F)F)cccn1Cc1sc2ccccc2c1Cl ZINC000027064661 563894544 /nfs/dbraw/zinc/89/45/44/563894544.db2.gz HGWGTXRUMQEMLP-UHFFFAOYSA-N 0 0 343.757 4.784 50 0 EJAARN Brc1ccc(CSc2cnc3ccccc3n2)cc1 ZINC000027543674 563896699 /nfs/dbraw/zinc/89/66/99/563896699.db2.gz PSJSLKMCGUTQPK-UHFFFAOYSA-N 0 0 331.238 4.685 50 0 EJAARN CCCOc1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)no2)cc1 ZINC000027993952 563900902 /nfs/dbraw/zinc/90/09/02/563900902.db2.gz YCGRUMYYPIMDIL-UHFFFAOYSA-N 0 0 340.354 4.522 50 0 EJAARN CSCc1cccc(C(=O)N[C@@H]2CCSc3c(F)cccc32)c1 ZINC000028043234 563901184 /nfs/dbraw/zinc/90/11/84/563901184.db2.gz QAIVOYMMRPRVMD-MRXNPFEDSA-N 0 0 347.480 4.656 50 0 EJAARN CC(C)c1ccc(OC[C@H](C)NC(=O)c2cccc(Cl)c2)cc1 ZINC000028293375 563902263 /nfs/dbraw/zinc/90/22/63/563902263.db2.gz VJWMGQJGWSAKGD-AWEZNQCLSA-N 0 0 331.843 4.661 50 0 EJAARN O[C@@H](COc1ccc(Cl)cc1)CSc1ccc(Cl)cc1 ZINC000028292813 563902278 /nfs/dbraw/zinc/90/22/78/563902278.db2.gz BALSDPGBDPKTOH-ZDUSSCGKSA-N 0 0 329.248 4.525 50 0 EJAARN CCCCCN1C(=S)N=NC1COc1ccc(C(C)(C)C)cc1 ZINC000028295962 563902289 /nfs/dbraw/zinc/90/22/89/563902289.db2.gz KKRVSWHNEOSUMM-UHFFFAOYSA-N 0 0 333.501 4.634 50 0 EJAARN O=C(Nc1cccc(F)c1)N(CCc1ccccc1)C1CCCC1 ZINC000072278451 563904092 /nfs/dbraw/zinc/90/40/92/563904092.db2.gz OLEUYNMHCTXBSX-UHFFFAOYSA-N 0 0 326.415 4.845 50 0 EJAARN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1nc2c(s1)CCCC2 ZINC000072280711 563904312 /nfs/dbraw/zinc/90/43/12/563904312.db2.gz UILWFICANDANOM-LLVKDONJSA-N 0 0 349.887 4.900 50 0 EJAARN Cc1nc2ccccc2nc1SCc1coc(-c2ccccc2)n1 ZINC000029282887 563905360 /nfs/dbraw/zinc/90/53/60/563905360.db2.gz WQGFJEPPRKWTNS-UHFFFAOYSA-N 0 0 333.416 4.886 50 0 EJAARN C[C@@H]1c2cccn2CCN1C(=O)c1sc2ccccc2c1Cl ZINC000029379368 563905932 /nfs/dbraw/zinc/90/59/32/563905932.db2.gz YTVWTMWWPBWRGK-LLVKDONJSA-N 0 0 330.840 4.573 50 0 EJAARN Cc1csc([C@@H]2CCCCN2C(=O)C[C@H]2CCc3ccccc32)n1 ZINC000072285664 563907207 /nfs/dbraw/zinc/90/72/07/563907207.db2.gz HQTWPCIYSFRWBY-AEFFLSMTSA-N 0 0 340.492 4.625 50 0 EJAARN O=C(N[C@@H](c1ccccc1)c1ccccn1)NC1CCCCCCC1 ZINC000029722790 563908046 /nfs/dbraw/zinc/90/80/46/563908046.db2.gz PVQMYHADQVMWPA-FQEVSTJZSA-N 0 0 337.467 4.583 50 0 EJAARN Cc1cc(CN(C)Cc2csc(-c3ccc(C(C)C)cc3)n2)no1 ZINC000029727628 563908236 /nfs/dbraw/zinc/90/82/36/563908236.db2.gz MUDGZXFPSHMKAH-UHFFFAOYSA-N 0 0 341.480 4.862 50 0 EJAARN COc1cccc(CN(C)C(=O)C2(c3cccs3)CCCCC2)c1 ZINC000072291280 563908978 /nfs/dbraw/zinc/90/89/78/563908978.db2.gz BIARGALTINKMDW-UHFFFAOYSA-N 0 0 343.492 4.617 50 0 EJAARN CCN1C(=O)c2ccccc2N[C@H]1c1ccc(-c2ccc(F)cc2)o1 ZINC000030542781 563909983 /nfs/dbraw/zinc/90/99/83/563909983.db2.gz MMGDGTHJQZDINH-LJQANCHMSA-N 0 0 336.366 4.672 50 0 EJAARN CCn1ccc2ccc(NC(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)cc21 ZINC000072292966 563910390 /nfs/dbraw/zinc/91/03/90/563910390.db2.gz IKGJNXAEGAJXCU-KGLIPLIRSA-N 0 0 338.373 4.968 50 0 EJAARN C[C@@H]1C[C@@H](NC(=O)Nc2ccc(Br)cc2)CC(C)(C)C1 ZINC000030835595 563910832 /nfs/dbraw/zinc/91/08/32/563910832.db2.gz FVTFSUCPTFOUPE-BXUZGUMPSA-N 0 0 339.277 4.785 50 0 EJAARN CCCn1ccc2ccc(NC(=O)Cc3csc(C(C)C)n3)cc21 ZINC000072304185 563914451 /nfs/dbraw/zinc/91/44/51/563914451.db2.gz USXNYTIHTAUJOZ-UHFFFAOYSA-N 0 0 341.480 4.812 50 0 EJAARN O=C(CSc1ccccc1)Nc1oncc1-c1ccc(Cl)cc1 ZINC000032984877 563920694 /nfs/dbraw/zinc/92/06/94/563920694.db2.gz BIMDWFBYBNBIIZ-UHFFFAOYSA-N 0 0 344.823 4.726 50 0 EJAARN Cc1cccc(-c2noc(-c3cccnc3NCc3ccccc3)n2)c1 ZINC000033004320 563924636 /nfs/dbraw/zinc/92/46/36/563924636.db2.gz VYHUBAWPEKLTIF-UHFFFAOYSA-N 0 0 342.402 4.719 50 0 EJAARN CCc1cccc(C)c1NC(=S)N(CCOC)[C@@H](C)c1ccco1 ZINC000013543375 563929821 /nfs/dbraw/zinc/92/98/21/563929821.db2.gz ZMBHSMIJKMIZFM-HNNXBMFYSA-N 0 0 346.496 4.557 50 0 EJAARN Cc1ccc(NC(=S)N2CC[C@@H](c3ccccc3)C2)c(Cl)c1 ZINC000013543304 563929841 /nfs/dbraw/zinc/92/98/41/563929841.db2.gz CSJVNRFDBUOBAF-OAHLLOKOSA-N 0 0 330.884 4.835 50 0 EJAARN COCCN(C(=S)Nc1ccc(C)cc1C)[C@H](C)c1cccs1 ZINC000013544698 563929971 /nfs/dbraw/zinc/92/99/71/563929971.db2.gz GMRXOQBEWLZGKU-OAHLLOKOSA-N 0 0 348.537 4.771 50 0 EJAARN COc1cccc(NC(=O)CS[C@@H](C)c2ccccc2Cl)c1 ZINC000033047577 563935006 /nfs/dbraw/zinc/93/50/06/563935006.db2.gz HKLPTHHQDASADE-LBPRGKRZSA-N 0 0 335.856 4.782 50 0 EJAARN Cc1cc2[nH]c(C(=O)N(C)Cc3ccc([C@H]4C[C@@H]4C)o3)cc2c(C)c1 ZINC000058006573 563936537 /nfs/dbraw/zinc/93/65/37/563936537.db2.gz TVAXNUDGNPOJMF-YOEHRIQHSA-N 0 0 336.435 4.773 50 0 EJAARN C[C@@H]1CCC[C@H](NC(=O)CSCc2cccc(Cl)c2)[C@@H]1C ZINC000058051316 563936919 /nfs/dbraw/zinc/93/69/19/563936919.db2.gz DAUGJXSEMDJQKK-IOASZLSFSA-N 0 0 325.905 4.514 50 0 EJAARN C[C@@H]1CCC[C@@H](NC(=O)CSCc2cccc(Cl)c2)[C@@H]1C ZINC000058051325 563936932 /nfs/dbraw/zinc/93/69/32/563936932.db2.gz DAUGJXSEMDJQKK-XJKCOSOUSA-N 0 0 325.905 4.514 50 0 EJAARN Cc1nc(-c2ccc(CNC(=O)c3c(C)oc(C)c3C)cc2)cs1 ZINC000058051921 563936940 /nfs/dbraw/zinc/93/69/40/563936940.db2.gz UTBYLYCARBGFNI-UHFFFAOYSA-N 0 0 340.448 4.567 50 0 EJAARN CC(C)c1nc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)cs1 ZINC000058052800 563937075 /nfs/dbraw/zinc/93/70/75/563937075.db2.gz ULJIZFAXAGSVIN-CQSZACIVSA-N 0 0 341.480 4.787 50 0 EJAARN O=C([C@H]1CCCc2ccccc21)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000058101914 563937442 /nfs/dbraw/zinc/93/74/42/563937442.db2.gz AJDKPIAOUZKFQR-VXKWHMMOSA-N 0 0 331.459 4.785 50 0 EJAARN O=[S@@](CCCOc1ccc(F)cc1)Cc1cccc2ccccc21 ZINC000058132359 563937654 /nfs/dbraw/zinc/93/76/54/563937654.db2.gz NLPCAHOKDQEQKW-XMMPIXPASA-N 0 0 342.435 4.697 50 0 EJAARN O=C(NCc1cc(-c2ccccc2)on1)Nc1cccc2ccccc21 ZINC000058179634 563939176 /nfs/dbraw/zinc/93/91/76/563939176.db2.gz NJOAMHGGDBDSRC-UHFFFAOYSA-N 0 0 343.386 4.817 50 0 EJAARN CCc1cc2c(ncnc2N[C@H](c2ccccc2)[C@H]2CCCO2)s1 ZINC000058217488 563940064 /nfs/dbraw/zinc/94/00/64/563940064.db2.gz NVDDZKKWHPNRQN-IAGOWNOFSA-N 0 0 339.464 4.586 50 0 EJAARN Cc1nnc([C@@H](C)Sc2nc3ccccc3n2-c2ccccc2)o1 ZINC000058224029 563940290 /nfs/dbraw/zinc/94/02/90/563940290.db2.gz NNMPSCFIOTYSNK-GFCCVEGCSA-N 0 0 336.420 4.570 50 0 EJAARN O=C(c1ccc[nH]c1=S)N1CCC(c2cccc3ccccc32)CC1 ZINC000058232502 563940580 /nfs/dbraw/zinc/94/05/80/563940580.db2.gz NOBDPTSRKREYPS-UHFFFAOYSA-N 0 0 348.471 4.543 50 0 EJAARN CCn1c2ccc(F)cc2nc1CN(Cc1ccc(C)cc1)C1CC1 ZINC000058296550 563942005 /nfs/dbraw/zinc/94/20/05/563942005.db2.gz ROQAKSSTKXOXIE-UHFFFAOYSA-N 0 0 337.442 4.668 50 0 EJAARN CC(C)OCc1cccc(N[C@H](C)C(=O)Nc2ccccc2Cl)c1 ZINC000058325428 563942591 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Cc1cnc(C)n1-c1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC000097105690 563967651 /nfs/dbraw/zinc/96/76/51/563967651.db2.gz RXEBLUXWEHJRSD-UHFFFAOYSA-N 0 0 334.810 4.753 50 0 EJAARN CC(C)(C)N(Cc1cccc(F)c1)C(=O)[C@@H]1CCOc2ccccc21 ZINC000097141255 563968273 /nfs/dbraw/zinc/96/82/73/563968273.db2.gz YFYUXCFEWCOSBO-GOSISDBHSA-N 0 0 341.426 4.519 50 0 EJAARN CC(C)(C)N(Cc1cccc(F)c1)C(=O)[C@H]1CCOc2ccccc21 ZINC000097141256 563968280 /nfs/dbraw/zinc/96/82/80/563968280.db2.gz YFYUXCFEWCOSBO-SFHVURJKSA-N 0 0 341.426 4.519 50 0 EJAARN CC[C@H](c1ccccn1)N(C)C(=O)c1oc2c(ccc(C)c2C)c1C ZINC000077287930 563968765 /nfs/dbraw/zinc/96/87/65/563968765.db2.gz YMQJAVMVGKZPHS-GOSISDBHSA-N 0 0 336.435 4.976 50 0 EJAARN CCCc1ccc2oc(C(=O)N(C)[C@H](C)c3ccon3)c(C)c2c1 ZINC000077343780 563969086 /nfs/dbraw/zinc/96/90/86/563969086.db2.gz QSJMSWAFQZIRPR-CYBMUJFWSA-N 0 0 326.396 4.515 50 0 EJAARN Cc1c2cc(C)ccc2oc1-c1nc(-c2ccc3nc[nH]c3c2)no1 ZINC000077406685 563969467 /nfs/dbraw/zinc/96/94/67/563969467.db2.gz 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O=C(NCCc1c[nH]c2ccccc12)Nc1ccccc1C(F)(F)F ZINC000005152347 563994758 /nfs/dbraw/zinc/99/47/58/563994758.db2.gz JBVUWVCYIKGDHL-UHFFFAOYSA-N 0 0 347.340 4.551 50 0 EJAARN CC(C)c1oc([C@@H]2CCCN2C(=O)[C@H]2C[C@H]2C)nc1-c1ccccc1 ZINC000248194162 563995564 /nfs/dbraw/zinc/99/55/64/563995564.db2.gz NRYXUHHABNOEPA-PVAVHDDUSA-N 0 0 338.451 4.785 50 0 EJAARN COCc1ccccc1NC(=O)Cc1coc2ccc3ccccc3c12 ZINC000044549488 563995708 /nfs/dbraw/zinc/99/57/08/563995708.db2.gz FGFQCBKQOXSUQS-UHFFFAOYSA-N 0 0 345.398 4.914 50 0 EJAARN CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@H]1CCC(CO)=C[C@H]21 ZINC000002008391 563996162 /nfs/dbraw/zinc/99/61/62/563996162.db2.gz YCBKSSAWEUDACY-IRXDYDNUSA-N 0 0 330.468 4.708 50 0 world EJAARN O=C1c2ccccc2CC[C@@H]1CSc1ccc(Br)cc1 ZINC000000403766 563997561 /nfs/dbraw/zinc/99/75/61/563997561.db2.gz NHWMBAYJIOSZGI-CYBMUJFWSA-N 0 0 347.277 4.987 50 0 EJAARN Clc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3ncnn32)cc1 ZINC000000407822 563997694 /nfs/dbraw/zinc/99/76/94/563997694.db2.gz WNVAJAMIIYZLMR-JKSUJKDBSA-N 0 0 345.233 4.731 50 0 EJAARN Cc1nc(C2CC2)oc1C(=O)N1CCCCC[C@H]1C1CCCCC1 ZINC000252539013 563997920 /nfs/dbraw/zinc/99/79/20/563997920.db2.gz NSDRHRROSVJTHY-KRWDZBQOSA-N 0 0 330.472 4.826 50 0 EJAARN Cc1ccccc1NC(=O)c1cc2cc(Br)ccc2o1 ZINC000028250079 563998160 /nfs/dbraw/zinc/99/81/60/563998160.db2.gz DYJKJSUCARGJKE-UHFFFAOYSA-N 0 0 330.181 4.756 50 0 EJAARN Cc1nn2c(ncc(-c3ccccc3)c2N)c1-c1ccc(Cl)cc1 ZINC000000208690 563998277 /nfs/dbraw/zinc/99/82/77/563998277.db2.gz PKERGKGJACRDCQ-UHFFFAOYSA-N 0 0 334.810 4.607 50 0 EJAARN O=C1CS[C@@H](c2ccc(F)cc2)N1c1ccc(Cl)c(Cl)c1 ZINC000000423746 563998357 /nfs/dbraw/zinc/99/83/57/563998357.db2.gz OJGXNPGHTIYZIP-HNNXBMFYSA-N 0 0 342.222 4.911 50 0 EJAARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccc(F)c(F)c2)cc1Cl ZINC000000423886 563998390 /nfs/dbraw/zinc/99/83/90/563998390.db2.gz RTOVMPXZRSWRFW-MRXNPFEDSA-N 0 0 339.794 4.705 50 0 EJAARN CC(C)(C)c1ccc([C@@H]2SCC(=O)N2c2ccccc2F)cc1 ZINC000000424022 563998412 /nfs/dbraw/zinc/99/84/12/563998412.db2.gz QNUBROFUINVUMK-SFHVURJKSA-N 0 0 329.440 4.902 50 0 EJAARN Cc1ccc2cc3cc(C(=O)NCc4cccs4)sc3nc2c1 ZINC000000428329 563998896 /nfs/dbraw/zinc/99/88/96/563998896.db2.gz HHMCSONSBGSDKQ-UHFFFAOYSA-N 0 0 338.457 4.749 50 0 EJAARN Cc1cc(C)cc(N2C(=O)CS[C@@H]2c2c(F)cccc2Cl)c1 ZINC000000431353 563999464 /nfs/dbraw/zinc/99/94/64/563999464.db2.gz HSAYXNQOZWECCH-QGZVFWFLSA-N 0 0 335.831 4.875 50 0 EJAARN Cc1cccc(N2C(=O)CS[C@H]2c2cccc(Br)c2)c1 ZINC000000431396 563999468 /nfs/dbraw/zinc/99/94/68/563999468.db2.gz XBUYASSCTPRPGO-INIZCTEOSA-N 0 0 348.265 4.536 50 0 EJAARN Cc1ccc(N2C(=O)CS[C@@H]2c2c(F)cccc2Cl)cc1C ZINC000000431351 563999480 /nfs/dbraw/zinc/99/94/80/563999480.db2.gz GWBCDQRHSQZEMT-QGZVFWFLSA-N 0 0 335.831 4.875 50 0 EJAARN Oc1cccc2ccc(/C=C/c3ccc(Br)cc3)nc12 ZINC000015016514 564000021 /nfs/dbraw/zinc/00/00/21/564000021.db2.gz YIABCVSURKCEHB-UXBLZVDNSA-N 0 0 326.193 4.873 50 0 EJAARN CCOc1ccc(NC(=O)c2cc3cc4ccc(C)cc4nc3o2)cc1 ZINC000000428997 564000198 /nfs/dbraw/zinc/00/01/98/564000198.db2.gz RPZXJVWGDLXILA-UHFFFAOYSA-N 0 0 346.386 4.940 50 0 EJAARN CSc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000005222749 564001249 /nfs/dbraw/zinc/00/12/49/564001249.db2.gz GSLOAAOADKQAEV-UHFFFAOYSA-N 0 0 344.436 4.923 50 0 EJAARN CSc1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1 ZINC000005222732 564001254 /nfs/dbraw/zinc/00/12/54/564001254.db2.gz VWSKEZOXEXWDHX-UHFFFAOYSA-N 0 0 332.475 4.846 50 0 EJAARN C(=C/c1nc2ccccc2n1CCOc1ccccc1)\c1ccco1 ZINC000005235191 564001423 /nfs/dbraw/zinc/00/14/23/564001423.db2.gz HSAVDZUEIRLBPO-OUKQBFOZSA-N 0 0 330.387 4.879 50 0 EJAARN CCSc1ccccc1C(=O)Nc1nc2c(cccc2OC)s1 ZINC000005240684 564001466 /nfs/dbraw/zinc/00/14/66/564001466.db2.gz PXZNNJGWKYVONI-UHFFFAOYSA-N 0 0 344.461 4.669 50 0 EJAARN CC(C)CC[C@H](CC(=O)Nc1nccs1)[C@H]1CCOC(C)(C)C1 ZINC000005246367 564001541 /nfs/dbraw/zinc/00/15/41/564001541.db2.gz KAHPPHZFDIXLCC-CABCVRRESA-N 0 0 338.517 4.729 50 0 EJAARN Clc1nc2ccccc2cc1CSc1ccc2c(c1)OCCO2 ZINC000005262679 564001668 /nfs/dbraw/zinc/00/16/68/564001668.db2.gz ABYNSWLHQPGURT-UHFFFAOYSA-N 0 0 343.835 4.952 50 0 EJAARN O=C1Nc2cc(Cl)ccc2/C1=C\c1cccc(Br)c1 ZINC000000573343 564001791 /nfs/dbraw/zinc/00/17/91/564001791.db2.gz VJNYURUXGLKCGV-NTUHNPAUSA-N 0 0 334.600 4.595 50 0 EJAARN Cc1ccc(-c2nnc3n2CCCCC3)cc1N[C@@H](C)c1ccccn1 ZINC000179608142 564002200 /nfs/dbraw/zinc/00/22/00/564002200.db2.gz PYDUSZUQUZEDFI-INIZCTEOSA-N 0 0 347.466 4.548 50 0 EJAARN O=C(NCCOc1cccc2ccccc21)Nc1ccc(Cl)cc1 ZINC000002553840 564002216 /nfs/dbraw/zinc/00/22/16/564002216.db2.gz BLABZIYDEAOBFP-UHFFFAOYSA-N 0 0 340.810 4.694 50 0 EJAARN Cc1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)cc1C ZINC000005292451 564002383 /nfs/dbraw/zinc/00/23/83/564002383.db2.gz NIHHWOMJTCIXDS-UHFFFAOYSA-N 0 0 345.442 4.588 50 0 EJAARN CC(C)Oc1ccc(-c2cc(C(=O)Nc3ccccc3F)no2)cc1 ZINC000061997157 564002590 /nfs/dbraw/zinc/00/25/90/564002590.db2.gz SRMUNFDFQRJQBT-UHFFFAOYSA-N 0 0 340.354 4.520 50 0 EJAARN O=C1N2CCCN2[C@@H](c2ccccc2)N1c1ccc(Cl)c(Cl)c1 ZINC000005325306 564002622 /nfs/dbraw/zinc/00/26/22/564002622.db2.gz SDVZQVHBQMVFSN-MRXNPFEDSA-N 0 0 348.233 4.555 50 0 EJAARN Cc1ccc(C(=O)Nc2ccccc2NC(=O)c2cccs2)cc1 ZINC000061997367 564002642 /nfs/dbraw/zinc/00/26/42/564002642.db2.gz DQYIBGOTIUCURT-UHFFFAOYSA-N 0 0 336.416 4.561 50 0 EJAARN CC(C)Nc1cc(-c2ccccc2)nc2c(-c3ccccc3)cnn21 ZINC000005322002 564002842 /nfs/dbraw/zinc/00/28/42/564002842.db2.gz BZNABCBPHUXTQI-UHFFFAOYSA-N 0 0 328.419 4.884 50 0 EJAARN Cc1nnc(SCc2c(F)cccc2Cl)n1-c1cccc(C)c1 ZINC000005359548 564003044 /nfs/dbraw/zinc/00/30/44/564003044.db2.gz FAAPFEGUAOTIAR-UHFFFAOYSA-N 0 0 347.846 4.969 50 0 EJAARN COc1ccc(OCCOC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000002635132 564003912 /nfs/dbraw/zinc/00/39/12/564003912.db2.gz DQHYCVZTRLAQDA-UHFFFAOYSA-N 0 0 348.398 4.598 50 0 EJAARN C[C@H](NC(=O)CSc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000002632940 564003922 /nfs/dbraw/zinc/00/39/22/564003922.db2.gz NLIYKOVYYDESMI-NSHDSACASA-N 0 0 340.275 4.963 50 0 EJAARN Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1N1CCCC1=O ZINC000005440753 564004024 /nfs/dbraw/zinc/00/40/24/564004024.db2.gz HFKNASJZAFHYGY-UHFFFAOYSA-N 0 0 344.414 4.527 50 0 EJAARN COc1ccc(CCC(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000005461991 564004403 /nfs/dbraw/zinc/00/44/03/564004403.db2.gz BFTVPSWGFNCKPW-UHFFFAOYSA-N 0 0 345.442 4.534 50 0 EJAARN Cn1c(SCc2ccc(C(C)(C)C)cc2)nc2ccccc2c1=O ZINC000003416381 564004501 /nfs/dbraw/zinc/00/45/01/564004501.db2.gz XNSXZTAWBGJYOW-UHFFFAOYSA-N 0 0 338.476 4.523 50 0 EJAARN CC(=O)NCC[C@@H]1[C@@H](c2c(C)[nH]c3c2ccc2ccccc32)C1(C)C ZINC000005477730 564004527 /nfs/dbraw/zinc/00/45/27/564004527.db2.gz LXJVNXPZQCZABX-QUCCMNQESA-N 0 0 334.463 4.895 50 0 EJAARN C(\c1ccccc1)=C1\CCCc2c1nc1ncnn1c2-c1ccccc1 ZINC000005526326 564005000 /nfs/dbraw/zinc/00/50/00/564005000.db2.gz BIDJGCXSDFRCQD-NBVRZTHBSA-N 0 0 338.414 4.668 50 0 EJAARN Cc1cccc(C)c1NC[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000005521201 564005061 /nfs/dbraw/zinc/00/50/61/564005061.db2.gz PWZKWUMCTISNAS-SFHVURJKSA-N 0 0 344.458 4.884 50 0 EJAARN Cc1ccc(-c2csc(NC(=O)c3cccc(F)c3)n2)c(C)c1 ZINC000005538806 564005159 /nfs/dbraw/zinc/00/51/59/564005159.db2.gz CQMDUMFTOBIXPU-UHFFFAOYSA-N 0 0 326.396 4.818 50 0 EJAARN Cc1nc(Nc2ccc(C(F)(F)F)cc2)sc1-c1ccncn1 ZINC000221597307 564005160 /nfs/dbraw/zinc/00/51/60/564005160.db2.gz OIGRZRJQYIIURP-UHFFFAOYSA-N 0 0 336.342 4.671 50 0 EJAARN O=C(CCc1c[nH]c2ccccc12)Nc1cccc(Br)c1 ZINC000005558297 564005440 /nfs/dbraw/zinc/00/54/40/564005440.db2.gz FMDRMNMSUQFRNE-UHFFFAOYSA-N 0 0 343.224 4.502 50 0 EJAARN O=C(Nc1nc(-c2ccccc2Cl)cs1)c1ccccc1F ZINC000005559009 564005492 /nfs/dbraw/zinc/00/54/92/564005492.db2.gz PVEHRRPEMXDKEZ-UHFFFAOYSA-N 0 0 332.787 4.855 50 0 EJAARN CC(C)c1ccccc1OCC(=O)Nc1nc2ccc(F)cc2s1 ZINC000005559117 564005509 /nfs/dbraw/zinc/00/55/09/564005509.db2.gz YGPQPEYKSGWVPC-UHFFFAOYSA-N 0 0 344.411 4.576 50 0 EJAARN CC[C@@H](C)c1ccc(-c2csc(NC(=O)c3ccncc3)n2)cc1 ZINC000005579083 564005811 /nfs/dbraw/zinc/00/58/11/564005811.db2.gz DSOYCRPSNAXLGZ-CYBMUJFWSA-N 0 0 337.448 4.971 50 0 EJAARN CCCCCOc1cccc(C(=O)Nc2ncnc3sccc32)c1 ZINC000005299441 564005892 /nfs/dbraw/zinc/00/58/92/564005892.db2.gz MOPPMRCXUKQFNS-UHFFFAOYSA-N 0 0 341.436 4.513 50 0 EJAARN Cc1oc(-c2ccccc2)nc1C(=O)OCc1ccc(Cl)cc1 ZINC000005538649 564006009 /nfs/dbraw/zinc/00/60/09/564006009.db2.gz AHGCGAXLYMTJNF-UHFFFAOYSA-N 0 0 327.767 4.660 50 0 EJAARN O=C(/C=C/c1ccccc1Cl)Nc1nc(-c2cccnc2)cs1 ZINC000005689380 564006029 /nfs/dbraw/zinc/00/60/29/564006029.db2.gz WWYCOJAWMDNLIH-BQYQJAHWSA-N 0 0 341.823 4.510 50 0 EJAARN C[C@H](Sc1nc2ccccc2o1)C(=O)Nc1ccc(Cl)cc1 ZINC000005628832 564006757 /nfs/dbraw/zinc/00/67/57/564006757.db2.gz LHEFYGXZUWJRLR-JTQLQIEISA-N 0 0 332.812 4.601 50 0 EJAARN Nc1nnc(S[C@H](c2ccccc2)c2ccc(Cl)cc2)s1 ZINC000005636603 564006847 /nfs/dbraw/zinc/00/68/47/564006847.db2.gz OORWCVAUGNKOEZ-CYBMUJFWSA-N 0 0 333.869 4.655 50 0 EJAARN Cc1cc2sc(NC(=O)c3c(F)cccc3Cl)nc2c(C)c1 ZINC000005637460 564006877 /nfs/dbraw/zinc/00/68/77/564006877.db2.gz RNPWOPJAYIVHPF-UHFFFAOYSA-N 0 0 334.803 4.958 50 0 EJAARN O=C(Nc1ccncc1)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000017584986 564012018 /nfs/dbraw/zinc/01/20/18/564012018.db2.gz HPVLVPJDNUGYPF-UHFFFAOYSA-N 0 0 343.361 4.688 50 0 EJAARN O=C(Nc1ccc(Br)cn1)Nc1cccc2ccccc21 ZINC000000357698 564012405 /nfs/dbraw/zinc/01/24/05/564012405.db2.gz MXXDIJCCKRSFDK-UHFFFAOYSA-N 0 0 342.196 4.641 50 0 EJAARN Cc1ccc(C)c([C@H](C)NC(=O)c2ccccc2Br)c1 ZINC000000370965 564012416 /nfs/dbraw/zinc/01/24/16/564012416.db2.gz KKNFCXADGGSAHU-ZDUSSCGKSA-N 0 0 332.241 4.557 50 0 EJAARN CCN(CC)c1ccc(NC(=O)COc2ccccc2Cl)c(C)c1 ZINC000000587102 564012865 /nfs/dbraw/zinc/01/28/65/564012865.db2.gz GUIONTRGZYMRHI-UHFFFAOYSA-N 0 0 346.858 4.512 50 0 EJAARN CSc1ccc(CN(C)C(=O)Cc2ccc3ccccc3c2)cc1 ZINC000017972163 564013527 /nfs/dbraw/zinc/01/35/27/564013527.db2.gz OPHUGXXDHKIIDH-UHFFFAOYSA-N 0 0 335.472 4.763 50 0 EJAARN Cc1ccc(NNC(=O)c2ccc(OC3CCCC3)cc2)cc1Cl ZINC000084183079 564013804 /nfs/dbraw/zinc/01/38/04/564013804.db2.gz FRTPWLFUAJKSBE-UHFFFAOYSA-N 0 0 344.842 4.727 50 0 EJAARN CC(C)(C)c1ccc(NC(=O)c2ccccc2Br)cc1 ZINC000005577634 564014120 /nfs/dbraw/zinc/01/41/20/564014120.db2.gz DDQAYWIGSABVPS-UHFFFAOYSA-N 0 0 332.241 4.999 50 0 EJAARN O=C(Cc1ccc2ccccc2c1)Nc1cccc(Br)c1 ZINC000008206161 564015967 /nfs/dbraw/zinc/01/59/67/564015967.db2.gz MIUULXLZGVHSEA-UHFFFAOYSA-N 0 0 340.220 4.784 50 0 EJAARN O=C(c1ccsc1)N1CCS[C@H](c2ccccc2Cl)CC1 ZINC000206994475 564016115 /nfs/dbraw/zinc/01/61/15/564016115.db2.gz AZYCIVWGAPAJMP-HNNXBMFYSA-N 0 0 337.897 4.722 50 0 EJAARN CCOc1ccc(-c2cc3cc(Cl)ccc3oc2=O)cc1OCC ZINC000000488498 564017352 /nfs/dbraw/zinc/01/73/52/564017352.db2.gz AHMLQGXZSSPKOY-UHFFFAOYSA-N 0 0 344.794 4.911 50 0 biogenic EJAARN CCCc1cc(=O)oc2cc(C)cc(OCc3ccccc3OC)c12 ZINC000000488639 564017367 /nfs/dbraw/zinc/01/73/67/564017367.db2.gz NHDZDOQNHNNGKW-UHFFFAOYSA-N 0 0 338.403 4.642 50 0 biogenic EJAARN CC(C)Oc1ccc(CNC(=O)C[C@H](c2ccco2)C(C)C)cc1 ZINC000000489319 564017529 /nfs/dbraw/zinc/01/75/29/564017529.db2.gz OZSKKVJNZIVVQO-SFHVURJKSA-N 0 0 329.440 4.513 50 0 biogenic EJAARN C[C@H]1CCc2sc3nc(SCc4ccccc4)nc(N)c3c2C1 ZINC000000495787 564017975 /nfs/dbraw/zinc/01/79/75/564017975.db2.gz JRSXKWSZOXSHJI-NSHDSACASA-N 0 0 341.505 4.691 50 0 EJAARN CC(=O)Nc1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000018172505 564018489 /nfs/dbraw/zinc/01/84/89/564018489.db2.gz WZVABBFNOKGMDK-UHFFFAOYSA-N 0 0 338.194 4.596 50 0 EJAARN COc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(Cl)c2)cc1 ZINC000018175824 564018543 /nfs/dbraw/zinc/01/85/43/564018543.db2.gz BUPVXYDWKRDUTE-KRWDZBQOSA-N 0 0 330.815 4.718 50 0 EJAARN CN(Cc1nc2ccccc2s1)C(=O)Nc1cccc(Cl)c1 ZINC000018182545 564018620 /nfs/dbraw/zinc/01/86/20/564018620.db2.gz ZDCCFHUVYJTTEY-UHFFFAOYSA-N 0 0 331.828 4.614 50 0 EJAARN COc1ccc2c(c1)occ(-c1csc(-c3ccccc3)n1)c2=O ZINC000000500341 564018966 /nfs/dbraw/zinc/01/89/66/564018966.db2.gz URJDMGAPLPKMBH-UHFFFAOYSA-N 0 0 335.384 4.592 50 0 EJAARN O[C@@H](CNc1cccc2ccccc21)COc1ccc2ccccc2c1 ZINC000000504436 564019316 /nfs/dbraw/zinc/01/93/16/564019316.db2.gz FVIDRQIFCFSYNT-FQEVSTJZSA-N 0 0 343.426 4.845 50 0 EJAARN CC1(C)[C@@H]2c3ccccc3C[C@]2(S(=O)(=O)c2ccccc2)C1(C)C ZINC000005706007 564019571 /nfs/dbraw/zinc/01/95/71/564019571.db2.gz WJFYIFZVVFTGRR-GHTZIAJQSA-N 0 0 340.488 4.605 50 0 EJAARN Cc1cccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)c1 ZINC000000508216 564019775 /nfs/dbraw/zinc/01/97/75/564019775.db2.gz PEGVEARJRCXKBJ-UHFFFAOYSA-N 0 0 326.359 4.537 50 0 EJAARN O=c1nc2n(c3ccccc13)CC/C2=C/c1cccc(Cl)c1Cl ZINC000102501308 564020110 /nfs/dbraw/zinc/02/01/10/564020110.db2.gz ADYAGDQFLFCWPY-BENRWUELSA-N 0 0 343.213 4.648 50 0 EJAARN Cc1ccccc1-c1nc(-c2ccc(Cl)cc2Cl)cc(=O)o1 ZINC000000519879 564020570 /nfs/dbraw/zinc/02/05/70/564020570.db2.gz ULFVUUWJFODKLZ-UHFFFAOYSA-N 0 0 332.186 4.984 50 0 EJAARN C[C@@H](Nc1nc(-c2ccncc2)nc2ccccc21)c1ccccc1 ZINC000000520898 564020963 /nfs/dbraw/zinc/02/09/63/564020963.db2.gz YILNAATVQIJIAT-OAHLLOKOSA-N 0 0 326.403 4.865 50 0 EJAARN COc1ccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1 ZINC000000521208 564021007 /nfs/dbraw/zinc/02/10/07/564021007.db2.gz QGVQKQMBAVYUMV-HXUWFJFHSA-N 0 0 327.387 4.684 50 0 EJAARN CCOc1ccc(-n2c(C)c(C(C)=O)c3cc(OCC)ccc32)cc1 ZINC000000521395 564021035 /nfs/dbraw/zinc/02/10/35/564021035.db2.gz RNMCVHZTZNLHLO-UHFFFAOYSA-N 0 0 337.419 4.939 50 0 EJAARN c1csc(-c2nc3nc4ccccc4nc3n2Cc2ccccc2)c1 ZINC000000521803 564021052 /nfs/dbraw/zinc/02/10/52/564021052.db2.gz NOEWJGYPOLCLIR-UHFFFAOYSA-N 0 0 342.427 4.756 50 0 EJAARN Cc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccccc2)cc1 ZINC000000521963 564021078 /nfs/dbraw/zinc/02/10/78/564021078.db2.gz NMPOLKSSFTUDNR-UHFFFAOYSA-N 0 0 336.398 4.944 50 0 EJAARN Cc1c(C(=O)c2ccc(C)cc2)oc2ccc3c(C)cc(=O)oc3c12 ZINC000000526781 564021235 /nfs/dbraw/zinc/02/12/35/564021235.db2.gz AMDACVCCXDZOTC-UHFFFAOYSA-N 0 0 332.355 4.695 50 0 biogenic EJAARN Cc1ccc([C@@H](CC(=O)N2CCCCC2)c2ccccc2)c(O)c1C ZINC000000527967 564021281 /nfs/dbraw/zinc/02/12/81/564021281.db2.gz ULGZKYACZNIZIH-FQEVSTJZSA-N 0 0 337.463 4.544 50 0 EJAARN C[C@@H](NC(=O)c1cccnc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000014113504 564021441 /nfs/dbraw/zinc/02/14/41/564021441.db2.gz GWJCZRZQPRYTIN-MRVPVSSYSA-N 0 0 329.614 4.533 50 0 EJAARN c1ccc(-c2nc3c4ccccc4oc3c(NC[C@@H]3CCCO3)n2)cc1 ZINC000000537180 564022211 /nfs/dbraw/zinc/02/22/11/564022211.db2.gz GDJJMSNTVHKFTH-HNNXBMFYSA-N 0 0 345.402 4.634 50 0 aggregator EJAARN Cc1ccc(N2COc3ccc(Br)cc3C2)cc1Cl ZINC000000539320 564022314 /nfs/dbraw/zinc/02/23/14/564022314.db2.gz OWKXKCGVIHKUQB-UHFFFAOYSA-N 0 0 338.632 4.767 50 0 EJAARN COc1ccc(-c2nc3nc4ccccc4nc3n2C2CCCC2)cc1 ZINC000000545291 564022680 /nfs/dbraw/zinc/02/26/80/564022680.db2.gz IFUXLYNPFGMLGO-UHFFFAOYSA-N 0 0 344.418 4.770 50 0 EJAARN S=C1N2CCCN2[C@@H](c2cccc3ccccc32)N1c1ccccc1 ZINC000000549998 564022830 /nfs/dbraw/zinc/02/28/30/564022830.db2.gz SYJUGUGPKFQWAV-HXUWFJFHSA-N 0 0 345.471 4.566 50 0 EJAARN O=C1N2CCCN2[C@@H](c2ccccc2Cl)N1c1cccc(Cl)c1 ZINC000000553191 564022940 /nfs/dbraw/zinc/02/29/40/564022940.db2.gz OYIOHAUJASFAKT-MRXNPFEDSA-N 0 0 348.233 4.555 50 0 EJAARN CC(=O)N(CC[C@@H](c1ccco1)c1ccccc1)Cc1cccs1 ZINC000000551309 564022981 /nfs/dbraw/zinc/02/29/81/564022981.db2.gz QQOFIKYXBNAFHI-LJQANCHMSA-N 0 0 339.460 4.912 50 0 EJAARN Cc1ccc(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)c(C)c1 ZINC000000557875 564023158 /nfs/dbraw/zinc/02/31/58/564023158.db2.gz JPOCNZCPIYTVNZ-UHFFFAOYSA-N 0 0 343.386 4.759 50 0 EJAARN Cc1ccc(NC(=O)CCc2ccccc2)c(C(=O)c2ccccc2)c1 ZINC000000567850 564023434 /nfs/dbraw/zinc/02/34/34/564023434.db2.gz CIWKSNHFQQKVNF-UHFFFAOYSA-N 0 0 343.426 4.797 50 0 EJAARN CNc1nc(-c2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 ZINC000005719822 564023682 /nfs/dbraw/zinc/02/36/82/564023682.db2.gz ADKDWGICMGMSIU-UHFFFAOYSA-N 0 0 331.206 4.554 50 0 EJAARN COc1ccc(Cc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 ZINC000000572392 564023902 /nfs/dbraw/zinc/02/39/02/564023902.db2.gz NEEJGDARHMKGGX-UHFFFAOYSA-N 0 0 346.405 4.823 50 0 EJAARN COc1ccc2ccccc2c1[S@](=O)Nc1cc(C)cc(C)c1 ZINC000005724840 564024078 /nfs/dbraw/zinc/02/40/78/564024078.db2.gz SQECMLOLFXWRQE-HSZRJFAPSA-N 0 0 325.433 4.600 50 0 EJAARN Cc1ccc(-n2c(=O)c3c4c(sc3[nH]c2=S)CCC4)cc1Cl ZINC000017072481 564024913 /nfs/dbraw/zinc/02/49/13/564024913.db2.gz BVFXZCYLPQEVGC-UHFFFAOYSA-N 0 0 348.880 4.560 50 0 EJAARN COc1ccc(Cl)cc1-c1nc(SCc2ccccc2F)n[nH]1 ZINC000006464077 564024983 /nfs/dbraw/zinc/02/49/83/564024983.db2.gz YNROMHSJMPVENU-UHFFFAOYSA-N 0 0 349.818 4.565 50 0 EJAARN C[C@@H](NC(=O)c1ccc(F)cc1F)c1ccc(Cl)cc1Cl ZINC000006507523 564025253 /nfs/dbraw/zinc/02/52/53/564025253.db2.gz YMNNQBUMHMASMK-MRVPVSSYSA-N 0 0 330.161 4.763 50 0 EJAARN Cc1ccc(C)c(-c2cc(-c3nc(-c4ccc(F)cc4)no3)n[nH]2)c1 ZINC000046914302 564025544 /nfs/dbraw/zinc/02/55/44/564025544.db2.gz CSNJKSXZKKOHMF-UHFFFAOYSA-N 0 0 334.354 4.550 50 0 EJAARN Cc1ccc(-c2cc(-c3nc(-c4ccc(F)cc4)no3)n[nH]2)cc1C ZINC000046914248 564025555 /nfs/dbraw/zinc/02/55/55/564025555.db2.gz YPFBVLWSFWUVNN-UHFFFAOYSA-N 0 0 334.354 4.550 50 0 EJAARN Cc1ccccc1-c1cc(-c2nc(-c3ccc(Cl)cc3)no2)n[nH]1 ZINC000046914365 564025573 /nfs/dbraw/zinc/02/55/73/564025573.db2.gz ZIDKMAHOFNAFFL-UHFFFAOYSA-N 0 0 336.782 4.756 50 0 EJAARN C[C@@H](NC(=O)C(C)(C)C)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000047255532 564026031 /nfs/dbraw/zinc/02/60/31/564026031.db2.gz VZSOPFGZNWYZIP-CQSZACIVSA-N 0 0 339.439 4.554 50 0 EJAARN CCN(C(=O)Nc1ccc(C)cc1C)[C@H](C)c1cccc(OC)c1 ZINC000047322371 564026146 /nfs/dbraw/zinc/02/61/46/564026146.db2.gz NXUGGZUNDHHRHM-MRXNPFEDSA-N 0 0 326.440 4.927 50 0 EJAARN COc1ccc(Cl)c(NC(=O)c2sccc2SC(F)F)c1 ZINC000107131325 564026834 /nfs/dbraw/zinc/02/68/34/564026834.db2.gz ZAERDGGXPCVBLA-UHFFFAOYSA-N 0 0 349.811 4.977 50 0 EJAARN Cc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccncc4)=NN32)c1 ZINC000107536391 564026983 /nfs/dbraw/zinc/02/69/83/564026983.db2.gz HEGDFDINZGQFOO-IFMALSPDSA-N 0 0 341.414 4.632 50 0 EJAARN Cc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccncc4)=NN32)c1 ZINC000107536388 564027000 /nfs/dbraw/zinc/02/70/00/564027000.db2.gz HEGDFDINZGQFOO-IRLDBZIGSA-N 0 0 341.414 4.632 50 0 EJAARN CN(Cc1ccsc1)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000045125196 564028123 /nfs/dbraw/zinc/02/81/23/564028123.db2.gz VPTROXHRBKGCBW-MRXNPFEDSA-N 0 0 334.872 4.694 50 0 EJAARN Cc1ccc(Nc2nc3ccccc3nc2C(=O)OCC(C)C)c(C)c1 ZINC000045901696 564028826 /nfs/dbraw/zinc/02/88/26/564028826.db2.gz KVZLHCVZCXKMEG-UHFFFAOYSA-N 0 0 349.434 4.803 50 0 EJAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2)cc1 ZINC000045942782 564028953 /nfs/dbraw/zinc/02/89/53/564028953.db2.gz AQFGTWTWCKFRCL-FQEVSTJZSA-N 0 0 345.398 4.641 50 0 EJAARN Cc1cc(F)ccc1NC(=O)N1CCCCC[C@H]1c1ccncc1 ZINC000045975253 564029043 /nfs/dbraw/zinc/02/90/43/564029043.db2.gz GBCRSKGYZFOHFJ-SFHVURJKSA-N 0 0 327.403 4.678 50 0 EJAARN COc1ccc(CCC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000046017912 564029207 /nfs/dbraw/zinc/02/92/07/564029207.db2.gz NKWPNOCZXYCRHG-LJQANCHMSA-N 0 0 343.854 4.645 50 0 EJAARN CCOc1ccc(CC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000046017923 564029209 /nfs/dbraw/zinc/02/92/09/564029209.db2.gz LRRQEBABHHHDHD-LJQANCHMSA-N 0 0 343.854 4.645 50 0 EJAARN O=C(N1CCC[C@H]1c1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000046018075 564029219 /nfs/dbraw/zinc/02/92/19/564029219.db2.gz SMBPOFFEWKPIDD-IXYLRAAXSA-N 0 0 327.443 4.706 50 0 EJAARN Cc1ccc([C@@H]2CCCN2C(=O)Cc2c(F)cccc2Cl)cc1 ZINC000046017927 564029224 /nfs/dbraw/zinc/02/92/24/564029224.db2.gz BYUZNFTUAVIPNN-SFHVURJKSA-N 0 0 331.818 4.694 50 0 EJAARN O=C(Nc1ccc(F)cc1F)N1CCC[C@H]1c1ccccc1Cl ZINC000046018642 564029264 /nfs/dbraw/zinc/02/92/64/564029264.db2.gz FSPSDDVECOOQQR-INIZCTEOSA-N 0 0 336.769 4.987 50 0 EJAARN CCOc1ccccc1NC(=O)N1CCC[C@@H]1c1ccccc1F ZINC000046018530 564029277 /nfs/dbraw/zinc/02/92/77/564029277.db2.gz DDHPYAPILNOZQH-QGZVFWFLSA-N 0 0 328.387 4.593 50 0 EJAARN Cc1nnc([C@H](C)Sc2nnc(-c3ccc(C(C)(C)C)cc3)o2)o1 ZINC000048188070 564030029 /nfs/dbraw/zinc/03/00/29/564030029.db2.gz BBLNPHAAMYFYRY-JTQLQIEISA-N 0 0 344.440 4.579 50 0 EJAARN O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@@H]1c1ccsc1 ZINC000048248071 564030239 /nfs/dbraw/zinc/03/02/39/564030239.db2.gz DFTUVIKUTZKOAW-LJQANCHMSA-N 0 0 338.476 4.916 50 0 EJAARN CSc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccncc2)cc1 ZINC000048367823 564031608 /nfs/dbraw/zinc/03/16/08/564031608.db2.gz RDONTJYXYWFKNP-LJQANCHMSA-N 0 0 347.443 4.575 50 0 EJAARN CC(C)c1ccc(Cn2cc(-c3cnn(-c4ccccc4)c3)cn2)cc1 ZINC000049581362 564032847 /nfs/dbraw/zinc/03/28/47/564032847.db2.gz GPTIGWKDTIJDDO-UHFFFAOYSA-N 0 0 342.446 4.908 50 0 EJAARN CCN(C(=O)[C@@H](C)Sc1ccc2ccccc2n1)c1ccccc1 ZINC000005627218 564032863 /nfs/dbraw/zinc/03/28/63/564032863.db2.gz IIPBYDNKNMXFOJ-OAHLLOKOSA-N 0 0 336.460 4.769 50 0 EJAARN Cc1ccccc1Cn1cc(CCCC(=O)NC(C)C)c2ccccc21 ZINC000006782867 564033512 /nfs/dbraw/zinc/03/35/12/564033512.db2.gz TUCBBTYTRJYPGP-UHFFFAOYSA-N 0 0 348.490 4.845 50 0 EJAARN CC(=O)Nc1ccc(S[C@H](C)C(=O)c2cc(C)c(C)cc2C)cc1 ZINC000006788209 564033533 /nfs/dbraw/zinc/03/35/33/564033533.db2.gz QETAOLHXYGUCNM-OAHLLOKOSA-N 0 0 341.476 4.934 50 0 EJAARN Cc1cc(C)n(-c2ccc(NC(=O)C3(c4ccccc4)CCC3)cc2)n1 ZINC000024760464 564033644 /nfs/dbraw/zinc/03/36/44/564033644.db2.gz CNLDNMBKIABDRZ-UHFFFAOYSA-N 0 0 345.446 4.550 50 0 EJAARN C[C@H](c1nccs1)N(C)C(=O)c1cccc(Oc2ccccc2)c1 ZINC000215947363 564033723 /nfs/dbraw/zinc/03/37/23/564033723.db2.gz MYVJFGJWIXEGES-CQSZACIVSA-N 0 0 338.432 4.769 50 0 EJAARN Cc1nn2c(nc(-c3ccccc3)cc2N)c1-c1ccc(Cl)cc1 ZINC000002488623 564033932 /nfs/dbraw/zinc/03/39/32/564033932.db2.gz FIMXGIHYKXBWKI-UHFFFAOYSA-N 0 0 334.810 4.607 50 0 EJAARN C[C@H](Sc1nnc(N2CCC(C)CC2)n1C1CC1)c1ccccc1 ZINC000024828946 564034010 /nfs/dbraw/zinc/03/40/10/564034010.db2.gz LYQOMXUBHYSOIY-HNNXBMFYSA-N 0 0 342.512 4.703 50 0 EJAARN S=C1N=NC(CSc2ccc(Cl)cc2)N1c1ccccc1 ZINC000000732319 564034016 /nfs/dbraw/zinc/03/40/16/564034016.db2.gz DBINDTFLQWWCOL-UHFFFAOYSA-N 0 0 333.869 4.502 50 0 EJAARN Clc1ccc(CN=Nc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000012340644 564034303 /nfs/dbraw/zinc/03/43/03/564034303.db2.gz WICKRUDMALOVRW-UHFFFAOYSA-N 0 0 342.855 4.670 50 0 EJAARN O=C(/C=C/c1ccc2ccccc2n1)N[C@@H]1CCSc2ccccc21 ZINC000007735198 564034429 /nfs/dbraw/zinc/03/44/29/564034429.db2.gz FRIRUXAMFNAWGV-TZZQJPOUSA-N 0 0 346.455 4.601 50 0 EJAARN Cc1nc(-c2ccccc2)sc1C(=O)NCc1ccc(Cl)cc1 ZINC000007996216 564034605 /nfs/dbraw/zinc/03/46/05/564034605.db2.gz MTOCUQCTDIDYMN-UHFFFAOYSA-N 0 0 342.851 4.702 50 0 EJAARN Cc1cccc(Oc2ccc(Cl)cc2NC(=O)[C@H]2CCCO2)c1 ZINC000008040009 564034620 /nfs/dbraw/zinc/03/46/20/564034620.db2.gz MHLCWROIGNHZLO-QGZVFWFLSA-N 0 0 331.799 4.558 50 0 EJAARN CSc1ccccc1C(=O)N1CCCC[C@H]1CSC(C)(C)C ZINC000390830813 564034893 /nfs/dbraw/zinc/03/48/93/564034893.db2.gz NPUFGZFSMTXGMF-AWEZNQCLSA-N 0 0 337.554 4.935 50 0 EJAARN CSCc1ccc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 ZINC000008239324 564034957 /nfs/dbraw/zinc/03/49/57/564034957.db2.gz XNEYKJKMUHOIRB-ZDUSSCGKSA-N 0 0 325.433 4.787 50 0 EJAARN O=C(NCc1ccc(F)cc1)N[C@H](c1ccsc1)c1cccs1 ZINC000390831444 564035046 /nfs/dbraw/zinc/03/50/46/564035046.db2.gz RWBHWCRUEJBPHP-MRXNPFEDSA-N 0 0 346.452 4.538 50 0 EJAARN CC[C@H](Oc1ccccc1F)C(=O)Nc1c(Cl)cccc1Cl ZINC000008477537 564035762 /nfs/dbraw/zinc/03/57/62/564035762.db2.gz JWLNXYKGQHDLFO-ZDUSSCGKSA-N 0 0 342.197 4.929 50 0 EJAARN O=C(NCCCC[C@@H]1CCCO1)c1ccc(-c2cccc(F)c2)cc1 ZINC000220746931 564036023 /nfs/dbraw/zinc/03/60/23/564036023.db2.gz QBFTZOKBOJDVPU-HXUWFJFHSA-N 0 0 341.426 4.572 50 0 EJAARN CSCc1ccc(C(=O)N2CCC[C@@H](c3ccc(Cl)cc3)C2)o1 ZINC000221302711 564036101 /nfs/dbraw/zinc/03/61/01/564036101.db2.gz DHVIDUIIJTZBMZ-CQSZACIVSA-N 0 0 349.883 4.816 50 0 EJAARN Cc1ccc2[nH]c(-c3ccc(C)c(NC(=O)c4ccco4)c3)nc2c1 ZINC000033328632 564036690 /nfs/dbraw/zinc/03/66/90/564036690.db2.gz FNMTVFUYAVKZPF-UHFFFAOYSA-N 0 0 331.375 4.692 50 0 EJAARN CCN(C[C@H]1CCCCO1)C(=O)c1ccccc1Oc1ccccc1 ZINC000222821751 564037981 /nfs/dbraw/zinc/03/79/81/564037981.db2.gz FKGFOGGVQVTPGX-GOSISDBHSA-N 0 0 339.435 4.510 50 0 EJAARN Cc1ccc(-c2cc(NC(=O)c3cc(-c4ccccc4)on3)on2)cc1 ZINC000606422337 564043401 /nfs/dbraw/zinc/04/34/01/564043401.db2.gz NWTOPPIGRYSOCS-UHFFFAOYSA-N 0 0 345.358 4.557 50 0 EJAARN Cc1ccc(CNc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)o1 ZINC000225417131 564046538 /nfs/dbraw/zinc/04/65/38/564046538.db2.gz CAJAREAUWWJJOO-HNNXBMFYSA-N 0 0 326.440 4.523 50 0 EJAARN Cc1ccc(-c2cc(Br)nc(Nc3ccccc3)n2)cc1 ZINC000225519287 564047518 /nfs/dbraw/zinc/04/75/18/564047518.db2.gz JWTGFSQSLLFAQZ-UHFFFAOYSA-N 0 0 340.224 4.958 50 0 EJAARN Cc1ccc2c(c1)CCCN2C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000060101203 564050943 /nfs/dbraw/zinc/05/09/43/564050943.db2.gz MRICJYPAZFFEDX-UHFFFAOYSA-N 0 0 337.316 4.746 50 0 EJAARN C[C@@H]1C[C@@H](C)C[C@H](C)N1C(=O)c1cc(-c2ccccc2Cl)on1 ZINC000239402662 564051611 /nfs/dbraw/zinc/05/16/11/564051611.db2.gz QXIMEZAZZVAQHP-XYYAHUGASA-N 0 0 332.831 4.644 50 0 EJAARN Cc1ccc(SCC(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1 ZINC000241132940 564051846 /nfs/dbraw/zinc/05/18/46/564051846.db2.gz JNKKQLUMHXVIAJ-INIZCTEOSA-N 0 0 335.472 5.118 50 0 EJAARN O=C(Nc1ccc(F)c(F)c1F)c1ccccc1Cc1ccccc1 ZINC000015002971 564052204 /nfs/dbraw/zinc/05/22/04/564052204.db2.gz FPSSUUKSJJOOHB-UHFFFAOYSA-N 0 0 341.332 4.947 50 0 EJAARN Fc1ccc(CCCCN2CCc3[nH]c4ccc(F)cc4c3C2)cc1 ZINC000247491030 564052747 /nfs/dbraw/zinc/05/27/47/564052747.db2.gz BLLBKUVGQDUZLE-UHFFFAOYSA-N 0 0 340.417 4.827 50 0 EJAARN CCn1c(C)cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1C ZINC000012455046 564053585 /nfs/dbraw/zinc/05/35/85/564053585.db2.gz LBVRBSJVAZQHHT-UHFFFAOYSA-N 0 0 348.446 4.956 50 0 EJAARN Cc1ccc([C@H](CC(=O)NCc2ccccc2)c2ccccc2)cc1 ZINC000000971957 564053774 /nfs/dbraw/zinc/05/37/74/564053774.db2.gz CYOAMCLWBTXMNO-JOCHJYFZSA-N 0 0 329.443 4.833 50 0 EJAARN O=C([C@H]1CC1(c1ccccc1)c1ccccc1)N1CCc2ccccc21 ZINC000000974196 564053790 /nfs/dbraw/zinc/05/37/90/564053790.db2.gz ZCTSUSQYQJNLND-OAQYLSRUSA-N 0 0 339.438 4.582 50 0 EJAARN O=C(c1ccc(COc2ccccc2Cl)cc1)N1CCCCCC1 ZINC000000998901 564053908 /nfs/dbraw/zinc/05/39/08/564053908.db2.gz GWUIWEXADFUPMK-UHFFFAOYSA-N 0 0 343.854 4.935 50 0 EJAARN Cc1cccc(N2C(=O)S[C@@H](Nc3ccc(C)c(Cl)c3)C2=O)c1 ZINC000001187402 564056313 /nfs/dbraw/zinc/05/63/13/564056313.db2.gz 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ZINC000084656642 564069435 /nfs/dbraw/zinc/06/94/35/564069435.db2.gz VYSCVTDHYTYXDX-BLLLJJGKSA-N 0 0 346.496 4.588 50 0 EJAARN C[C@@H](NC(=O)c1ccc(-c2cccc(Cl)c2)s1)c1ccccn1 ZINC000084661042 564069501 /nfs/dbraw/zinc/06/95/01/564069501.db2.gz NBQYYBDKLPDJKB-GFCCVEGCSA-N 0 0 342.851 4.955 50 0 EJAARN O=C(/C=C/c1ccco1)Nc1nc(-c2ccc(F)cc2Cl)cs1 ZINC000015639823 564069891 /nfs/dbraw/zinc/06/98/91/564069891.db2.gz QNYXZWSSETWULM-GQCTYLIASA-N 0 0 348.786 4.848 50 0 EJAARN Cc1ccc(C)c(NC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)c1 ZINC000012781235 564069962 /nfs/dbraw/zinc/06/99/62/564069962.db2.gz AJJFUSPACMEQGJ-UHFFFAOYSA-N 0 0 349.430 4.598 50 0 EJAARN CCC[C@@H](C(=O)Nc1ccc2c(C)cc(=O)oc2c1)c1ccccc1 ZINC000012781055 564069965 /nfs/dbraw/zinc/06/99/65/564069965.db2.gz INFZUFVDGCQFKI-GOSISDBHSA-N 0 0 335.403 4.624 50 0 EJAARN CCC[C@H](C(=O)Nc1ccc2c(C)cc(=O)oc2c1)c1ccccc1 ZINC000012781056 564069987 /nfs/dbraw/zinc/06/99/87/564069987.db2.gz INFZUFVDGCQFKI-SFHVURJKSA-N 0 0 335.403 4.624 50 0 EJAARN CC(C)c1nnc(NC(=O)c2ccccc2Cc2ccccc2)s1 ZINC000012786841 564070289 /nfs/dbraw/zinc/07/02/89/564070289.db2.gz QZESRAPKGAQYHD-UHFFFAOYSA-N 0 0 337.448 4.505 50 0 EJAARN Cc1occc1C(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1 ZINC000012788656 564070359 /nfs/dbraw/zinc/07/03/59/564070359.db2.gz CGRDJFHOMMKSCW-UHFFFAOYSA-N 0 0 326.421 4.889 50 0 EJAARN O=C(c1noc2c1CSc1ccccc1-2)N1CCCc2ccccc21 ZINC000015673905 564070539 /nfs/dbraw/zinc/07/05/39/564070539.db2.gz MKZWHCYLEWNWJH-UHFFFAOYSA-N 0 0 348.427 4.540 50 0 EJAARN Cc1cccc(N(C)C(=O)c2noc3c2CSc2ccccc2-3)c1 ZINC000015673954 564070540 /nfs/dbraw/zinc/07/05/40/564070540.db2.gz MAFOWVHWCZEGLO-UHFFFAOYSA-N 0 0 336.416 4.532 50 0 EJAARN CCCCN(CCCC)C(=O)CCC(=O)N(CCCC)CCCC ZINC000006042590 564072304 /nfs/dbraw/zinc/07/23/04/564072304.db2.gz SMZNIZWMUHWNBT-UHFFFAOYSA-N 0 0 340.552 4.624 50 0 EJAARN CN(Cc1ccc(Cl)s1)c1ncnc2c3ccccc3oc21 ZINC000032510049 564072327 /nfs/dbraw/zinc/07/23/27/564072327.db2.gz MYMFOUVFLYFWFK-UHFFFAOYSA-N 0 0 329.812 4.727 50 0 EJAARN Cc1cc(SCC(=O)Nc2ccc(F)c(F)c2)nc2ccccc12 ZINC000006044161 564072458 /nfs/dbraw/zinc/07/24/58/564072458.db2.gz BMNDVCQCBLWKGC-UHFFFAOYSA-N 0 0 344.386 4.552 50 0 EJAARN CCc1ccc([C@@H](NC(=O)c2cccc(OC(F)F)c2)C(C)C)cc1 ZINC000012807274 564072518 /nfs/dbraw/zinc/07/25/18/564072518.db2.gz IQYLVVWMGSBUAJ-SFHVURJKSA-N 0 0 347.405 4.978 50 0 EJAARN CCc1ccc([C@H](NC(=O)c2cccc(OC(F)F)c2)C(C)C)cc1 ZINC000012807278 564072519 /nfs/dbraw/zinc/07/25/19/564072519.db2.gz IQYLVVWMGSBUAJ-GOSISDBHSA-N 0 0 347.405 4.978 50 0 EJAARN c1c(-c2nc(-c3ccccc3)no2)n[nH]c1-c1ccc2ccccc2c1 ZINC000015732371 564072740 /nfs/dbraw/zinc/07/27/40/564072740.db2.gz LIDULJDIENWPCG-UHFFFAOYSA-N 0 0 338.370 4.947 50 0 EJAARN Cc1c(Cl)cccc1NC(=O)c1noc2c1CCc1sccc1-2 ZINC000015733316 564072772 /nfs/dbraw/zinc/07/27/72/564072772.db2.gz OWIPRNWZJGPQCU-UHFFFAOYSA-N 0 0 344.823 4.716 50 0 EJAARN CC1=Nc2c(c(=O)[nH]n2C2CCCCC2)[C@@H](c2ccc(F)cc2)S1 ZINC000085411910 564072858 /nfs/dbraw/zinc/07/28/58/564072858.db2.gz 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/nfs/dbraw/zinc/07/34/30/564073430.db2.gz TZTFBQZHBJTCCN-LJQANCHMSA-N 0 0 345.446 4.629 50 0 EJAARN CCN(C(=O)C[C@H](c1cccc(C)c1)n1cccc1)c1ccccc1 ZINC000015771250 564073763 /nfs/dbraw/zinc/07/37/63/564073763.db2.gz ZSQZLXWEVZWZQK-OAQYLSRUSA-N 0 0 332.447 4.829 50 0 EJAARN CCc1ccc(NC(=O)NCc2nc(-c3ccc(C)cc3)oc2C)cc1 ZINC000015774610 564073821 /nfs/dbraw/zinc/07/38/21/564073821.db2.gz SKULRQYELOEGAX-UHFFFAOYSA-N 0 0 349.434 4.843 50 0 EJAARN Cc1oc(-c2ccc(C)cc2)nc1CNC(=O)Nc1ccc(C)c(C)c1 ZINC000015774614 564073836 /nfs/dbraw/zinc/07/38/36/564073836.db2.gz REDBXCPEQDMJHY-UHFFFAOYSA-N 0 0 349.434 4.897 50 0 EJAARN Cc1nc(-c2ccccc2Cl)sc1CNC(=O)c1ccsc1 ZINC000085556002 564073915 /nfs/dbraw/zinc/07/39/15/564073915.db2.gz IVLTXKJMAPDRQD-UHFFFAOYSA-N 0 0 348.880 4.763 50 0 EJAARN CCOC(=O)c1nc2ccccc2c(Nc2ccc(C)cc2Cl)n1 ZINC000015784064 564074164 /nfs/dbraw/zinc/07/41/64/564074164.db2.gz INQMYLBRTYJTFN-UHFFFAOYSA-N 0 0 341.798 4.512 50 0 EJAARN CC(C)[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3cccs3)=NN21 ZINC000013616604 564074351 /nfs/dbraw/zinc/07/43/51/564074351.db2.gz DTKVSVBSSIOTDD-PBHICJAKSA-N 0 0 332.856 4.927 50 0 EJAARN CSc1nc(C(C)C)nc(C)c1C(=O)Nc1cc(Cl)ccc1C ZINC000012823852 564074859 /nfs/dbraw/zinc/07/48/59/564074859.db2.gz FTNPDLYUWKHOIF-UHFFFAOYSA-N 0 0 349.887 4.844 50 0 EJAARN CCOc1ccc2c(=O)c(Oc3ccc(F)cc3)c(C)oc2c1C ZINC000000302385 564074967 /nfs/dbraw/zinc/07/49/67/564074967.db2.gz GISBEBMFOCHETI-UHFFFAOYSA-N 0 0 328.339 4.740 50 0 EJAARN CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000006125526 564075175 /nfs/dbraw/zinc/07/51/75/564075175.db2.gz OERUMRUKYIAFKR-CYBMUJFWSA-N 0 0 331.843 4.871 50 0 EJAARN Cc1cnc(NC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)s1 ZINC000012850454 564075384 /nfs/dbraw/zinc/07/53/84/564075384.db2.gz BHFILMDUFDLYJZ-UHFFFAOYSA-N 0 0 343.477 4.951 50 0 EJAARN COC(=O)c1c(Nc2ccccc2C)onc1-c1ccc(Cl)cc1 ZINC000015821724 564075454 /nfs/dbraw/zinc/07/54/54/564075454.db2.gz XCPJDSIRRNVVTJ-UHFFFAOYSA-N 0 0 342.782 4.834 50 0 EJAARN Cc1ccc(NC(=O)CSc2nccn2C2CCCCC2)c(C)c1 ZINC000015825300 564075616 /nfs/dbraw/zinc/07/56/16/564075616.db2.gz QXGRJOMWVLWHKW-UHFFFAOYSA-N 0 0 343.496 4.736 50 0 EJAARN C[C@@H](Nc1ccc(NC(=O)CC2CCOCC2)cc1)c1ccccc1 ZINC000117248348 564075674 /nfs/dbraw/zinc/07/56/74/564075674.db2.gz WSLFCRKNSBTPCV-MRXNPFEDSA-N 0 0 338.451 4.615 50 0 EJAARN COc1cc(C(=O)Nc2ccc(Cl)cc2)nc2ccc(Cl)cc21 ZINC000015829254 564075759 /nfs/dbraw/zinc/07/57/59/564075759.db2.gz RUGDSFPZAJEVJB-UHFFFAOYSA-N 0 0 347.201 4.803 50 0 EJAARN Cc1nn(C)c(NC(=O)Nc2ccc(F)cc2F)c1C1=CCCCC1 ZINC000015830768 564075834 /nfs/dbraw/zinc/07/58/34/564075834.db2.gz MSXUFISMPNHLTN-UHFFFAOYSA-N 0 0 346.381 4.608 50 0 EJAARN Fc1ccc(-c2nc(COc3c(Cl)cccc3Cl)no2)cc1 ZINC000012869722 564075973 /nfs/dbraw/zinc/07/59/73/564075973.db2.gz FZPDYDWRDPQHLZ-UHFFFAOYSA-N 0 0 339.153 4.762 50 0 EJAARN Cc1cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)on1 ZINC000012870055 564075996 /nfs/dbraw/zinc/07/59/96/564075996.db2.gz GVNDOBPVEQBYAB-UHFFFAOYSA-N 0 0 335.388 4.512 50 0 EJAARN COC(=O)C1=C(CC(Cl)(Cl)Cl)CC[C@@H]1C(C)(C)Cl ZINC000045071505 564076282 /nfs/dbraw/zinc/07/62/82/564076282.db2.gz FEHGKEQQTALQRK-QMMMGPOBSA-N 0 0 334.070 4.644 50 0 EJAARN Fc1cccc([C@@H]2CCCN2Cc2ccc(Br)s2)c1 ZINC000015837108 564076442 /nfs/dbraw/zinc/07/64/42/564076442.db2.gz JFOVTIKUAOSABJ-AWEZNQCLSA-N 0 0 340.261 4.987 50 0 EJAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(C(C)C)c1 ZINC000012872732 564076604 /nfs/dbraw/zinc/07/66/04/564076604.db2.gz JNSTYIHCUNVCSJ-OAQYLSRUSA-N 0 0 348.446 4.713 50 0 EJAARN Cc1nc(-c2cccs2)c(CC(=O)Nc2cccc(C)c2C)s1 ZINC000015840146 564076637 /nfs/dbraw/zinc/07/66/37/564076637.db2.gz KGSZWHFVEVSIKH-UHFFFAOYSA-N 0 0 342.489 4.978 50 0 EJAARN COc1ccc(OC)c(Nc2cc(-c3ccc(C)cc3)nc(C)n2)c1 ZINC000015859129 564076825 /nfs/dbraw/zinc/07/68/25/564076825.db2.gz NCSCHMGHQFJIAC-UHFFFAOYSA-N 0 0 335.407 4.521 50 0 EJAARN COc1ccc(Nc2cc(-c3cccc(C)c3)nc(C)n2)c(OC)c1 ZINC000015859107 564076842 /nfs/dbraw/zinc/07/68/42/564076842.db2.gz RDWNNWGHBJXIAX-UHFFFAOYSA-N 0 0 335.407 4.521 50 0 EJAARN Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2n1 ZINC000006153108 564076851 /nfs/dbraw/zinc/07/68/51/564076851.db2.gz IRPRRCKSHKWORF-UHFFFAOYSA-N 0 0 330.309 4.814 50 0 EJAARN O=C(Nc1cccc(CCc2nc3ccccc3[nH]2)c1)c1ccccc1 ZINC000015863652 564077091 /nfs/dbraw/zinc/07/70/91/564077091.db2.gz HNKLMSRBJXYTKD-UHFFFAOYSA-N 0 0 341.414 4.600 50 0 EJAARN Cc1nc(-c2ccc(CNC(=O)c3cc(C)cc(C)c3)s2)cs1 ZINC000012894769 564077613 /nfs/dbraw/zinc/07/76/13/564077613.db2.gz JXZAJYCYUPXCMV-UHFFFAOYSA-N 0 0 342.489 4.727 50 0 EJAARN Fc1ccccc1SC[C@H]1CSc2nnc(-c3ccccc3)n21 ZINC000012898152 564077635 /nfs/dbraw/zinc/07/76/35/564077635.db2.gz HJXMUGGKOJVZOY-ZDUSSCGKSA-N 0 0 343.452 4.523 50 0 EJAARN O=C(Nc1cccc(Cl)c1)N[C@@H]1CCSc2c(F)cccc21 ZINC000012913941 564078002 /nfs/dbraw/zinc/07/80/02/564078002.db2.gz RWVGOLPJZZQETL-CQSZACIVSA-N 0 0 336.819 4.838 50 0 EJAARN O=C(CCSCc1ccc(F)cc1Cl)NC1CCCCC1 ZINC000012917394 564078149 /nfs/dbraw/zinc/07/81/49/564078149.db2.gz BYVIBRMEEFQFRX-UHFFFAOYSA-N 0 0 329.868 4.551 50 0 EJAARN CC(C)n1ncc2cc(NC(=O)Nc3cccc4ccccc43)cnc21 ZINC000012927855 564078602 /nfs/dbraw/zinc/07/86/02/564078602.db2.gz NZLNBOSOKXVPFC-UHFFFAOYSA-N 0 0 345.406 4.809 50 0 EJAARN CCN(C(=O)c1ccc(F)cc1)c1nc2cc(Cl)ccc2s1 ZINC000012928328 564078646 /nfs/dbraw/zinc/07/86/46/564078646.db2.gz ULDNSNLRVHFARU-UHFFFAOYSA-N 0 0 334.803 4.756 50 0 EJAARN Cc1csc(=S)n1OC(=O)C1=CC[C@](C)(c2ccccc2)CC1 ZINC000005748681 564078666 /nfs/dbraw/zinc/07/86/66/564078666.db2.gz GIRJOERDXKYXPR-SFHVURJKSA-N 0 0 345.489 4.611 50 0 EJAARN CC(C)[C@@H]1CCCN1C(=O)c1cc2ccccc2n1Cc1ccccc1 ZINC000063814005 564078704 /nfs/dbraw/zinc/07/87/04/564078704.db2.gz SGHDCLYWLFDBTR-FQEVSTJZSA-N 0 0 346.474 4.950 50 0 EJAARN Cc1cc(C(=O)Nc2cccc(Cl)c2)c(C)n1Cc1ccco1 ZINC000012932066 564078805 /nfs/dbraw/zinc/07/88/05/564078805.db2.gz LFHXHFONYLDESS-UHFFFAOYSA-N 0 0 328.799 4.652 50 0 EJAARN CCOc1ccc(-c2nc(NC(=O)c3occc3C)sc2C)cc1 ZINC000012931853 564078813 /nfs/dbraw/zinc/07/88/13/564078813.db2.gz 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/nfs/dbraw/zinc/08/09/07/564080907.db2.gz DWDGJXFRXBMZSF-AATRIKPKSA-N 0 0 331.868 4.821 50 0 EJAARN Cn1ncc(-c2ccncc2)c1-c1ccc(OCc2ccccc2)cc1 ZINC000075172844 564081064 /nfs/dbraw/zinc/08/10/64/564081064.db2.gz ZDLDRFDLZNDFRP-UHFFFAOYSA-N 0 0 341.414 4.728 50 0 EJAARN Cc1cc(C)n(C(=O)[C@@H]2CC=C(C)C[C@@H]2c2ccc(Cl)cc2)n1 ZINC000075273244 564081387 /nfs/dbraw/zinc/08/13/87/564081387.db2.gz VFKCAZZEXJVLOT-QZTJIDSGSA-N 0 0 328.843 4.934 50 0 EJAARN Fc1ccc(-c2cc(F)ccc2NCc2nnsc2Cl)cc1 ZINC000089104774 564081391 /nfs/dbraw/zinc/08/13/91/564081391.db2.gz RHTWEZWVMXDNPF-UHFFFAOYSA-N 0 0 337.782 4.749 50 0 EJAARN Cc1oc(=S)n2c1C[C@@H](c1ccccc1)N(Cc1ccccc1)C2 ZINC000075278786 564081413 /nfs/dbraw/zinc/08/14/13/564081413.db2.gz YEKDBPQAJIFQOC-IBGZPJMESA-N 0 0 336.460 4.876 50 0 EJAARN Cc1ccc(NC(=O)c2cc3ccc4cccnc4c3[nH]2)cc1Cl ZINC000075346797 564081945 /nfs/dbraw/zinc/08/19/45/564081945.db2.gz FAUPDPWKCIJKLN-UHFFFAOYSA-N 0 0 335.794 4.930 50 0 EJAARN CC[C@H](C(=O)NCc1ccc(-c2ccsc2)o1)c1ccccc1 ZINC000575611034 564082630 /nfs/dbraw/zinc/08/26/30/564082630.db2.gz SYRYIJWDAJIKHJ-KRWDZBQOSA-N 0 0 325.433 4.818 50 0 EJAARN CCO[C@]12c3ccccc3O[C@H](c3ccccc3)[C@H]1C2(Cl)Cl ZINC000000974573 564083005 /nfs/dbraw/zinc/08/30/05/564083005.db2.gz TUHXFTQSJNJHPZ-BRWVUGGUSA-N 0 0 335.230 4.856 50 0 EJAARN O=C(CNc1ccccc1Oc1ccccc1)Nc1cccc(F)c1 ZINC000006250121 564083260 /nfs/dbraw/zinc/08/32/60/564083260.db2.gz DATBSHWFMSONHK-UHFFFAOYSA-N 0 0 336.366 4.669 50 0 EJAARN Cc1nc(NC(=O)C2c3ccccc3Oc3ccccc32)sc1C ZINC000006254991 564083285 /nfs/dbraw/zinc/08/32/85/564083285.db2.gz MALULYIDGNXSNH-UHFFFAOYSA-N 0 0 336.416 4.636 50 0 EJAARN O=C(NCc1cncc(-c2ccco2)c1)c1ccc(Cl)cc1Cl ZINC000575618228 564083625 /nfs/dbraw/zinc/08/36/25/564083625.db2.gz KLKPGNNGNIQVEL-UHFFFAOYSA-N 0 0 347.201 4.578 50 0 EJAARN Cc1ccc(C(=O)Nc2ccccc2-c2cn3c(n2)CCCC3)s1 ZINC000575619146 564083736 /nfs/dbraw/zinc/08/37/36/564083736.db2.gz HRQWSQDTWCCBPI-UHFFFAOYSA-N 0 0 337.448 4.509 50 0 EJAARN C[C@@H](Cc1csc2ccccc12)NC(=O)Nc1c(F)cccc1F ZINC000575619943 564083819 /nfs/dbraw/zinc/08/38/19/564083819.db2.gz HDISDWLHMXCJEB-NSHDSACASA-N 0 0 346.402 4.932 50 0 EJAARN O=C1[C@@H]2CCCN2[C@@H](c2cccc(Cl)c2)N1c1ccc(Cl)cc1 ZINC000075403044 564084019 /nfs/dbraw/zinc/08/40/19/564084019.db2.gz IASKQVXSJXGNIJ-DLBZAZTESA-N 0 0 347.245 4.503 50 0 EJAARN Cc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)o1 ZINC000012931983 564084619 /nfs/dbraw/zinc/08/46/19/564084619.db2.gz JTPJXNFTORCXJT-SIFUEBAJSA-N 0 0 338.432 4.575 50 0 EJAARN Cc1ccccc1C(=O)N(CCc1cccs1)Cc1ccoc1 ZINC000090612285 564084992 /nfs/dbraw/zinc/08/49/92/564084992.db2.gz JBQGZBPOMFDOAD-UHFFFAOYSA-N 0 0 325.433 4.535 50 0 EJAARN O=C(c1c(F)cccc1Cl)N(Cc1ccoc1)Cc1cccs1 ZINC000090612138 564085052 /nfs/dbraw/zinc/08/50/52/564085052.db2.gz WQABOHNSRDXJHO-UHFFFAOYSA-N 0 0 349.814 4.976 50 0 EJAARN Cc1ccc(-c2csc(NC(=O)Cc3ccccc3Cl)n2)cc1 ZINC000006341740 564085117 /nfs/dbraw/zinc/08/51/17/564085117.db2.gz JVWWCEZUUBTDSF-UHFFFAOYSA-N 0 0 342.851 4.953 50 0 EJAARN CCc1nc(-c2cc(NC(=O)CCC3CCCC3)c(C)s2)no1 ZINC000035554764 564085275 /nfs/dbraw/zinc/08/52/75/564085275.db2.gz XBZDADMLBCCJJL-UHFFFAOYSA-N 0 0 333.457 4.578 50 0 EJAARN COc1ccc(C(C)=O)cc1CSc1nnc(C2CCCCC2)o1 ZINC000006374132 564085282 /nfs/dbraw/zinc/08/52/82/564085282.db2.gz ADMJZCAMIZRAOG-UHFFFAOYSA-N 0 0 346.452 4.621 50 0 EJAARN CCc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)cc1 ZINC000006359252 564085295 /nfs/dbraw/zinc/08/52/95/564085295.db2.gz YRBOYBLPQXOTJM-APPDUMDISA-N 0 0 326.465 4.864 50 0 EJAARN COc1ccc(OC)c(NC(=O)Cc2ccc(-c3ccccc3)cc2)c1 ZINC000006395981 564085521 /nfs/dbraw/zinc/08/55/21/564085521.db2.gz CFPMFIUBSMRESE-UHFFFAOYSA-N 0 0 347.414 4.552 50 0 EJAARN C[C@@H](NC(=O)CCc1cccs1)c1ccc(Cl)c(Cl)c1 ZINC000032892316 564085850 /nfs/dbraw/zinc/08/58/50/564085850.db2.gz WYGPDMZMLWQJLS-SNVBAGLBSA-N 0 0 328.264 4.865 50 0 EJAARN CC(C)c1nc2cc(CCC(=O)Nc3cccc(Cl)c3)ccc2[nH]1 ZINC000075465718 564085953 /nfs/dbraw/zinc/08/59/53/564085953.db2.gz RIJBPBZRKMUHBA-UHFFFAOYSA-N 0 0 341.842 4.911 50 0 EJAARN CCCc1nc2cc(CCC(=O)Nc3ccc(CC)cc3)ccc2[nH]1 ZINC000075465623 564085979 /nfs/dbraw/zinc/08/59/79/564085979.db2.gz GSVUFOAEMILMHZ-UHFFFAOYSA-N 0 0 335.451 4.649 50 0 EJAARN CCc1nc2cc(CCC(=O)Nc3cccc(C(C)C)c3)ccc2[nH]1 ZINC000075465570 564086006 /nfs/dbraw/zinc/08/60/06/564086006.db2.gz UUMYHAWDBJHEEF-UHFFFAOYSA-N 0 0 335.451 4.820 50 0 EJAARN CC(C)(C)OC(=O)N[C@H]1c2ccccc2CSc2ccccc21 ZINC000000347589 564086109 /nfs/dbraw/zinc/08/61/09/564086109.db2.gz HBNAKKJUJYEGMD-KRWDZBQOSA-N 0 0 327.449 4.906 50 0 EJAARN C[C@@H](NC(=O)c1cc2ccccc2o1)c1ccc(OC(F)F)cc1 ZINC000012998934 564086248 /nfs/dbraw/zinc/08/62/48/564086248.db2.gz KRTCBKVIFCEMSH-LLVKDONJSA-N 0 0 331.318 4.525 50 0 EJAARN CCCc1nc2cc(CCC(=O)Nc3cc(C)ccc3C)ccc2[nH]1 ZINC000075478710 564086643 /nfs/dbraw/zinc/08/66/43/564086643.db2.gz AUYMUQLQEVGULB-UHFFFAOYSA-N 0 0 335.451 4.704 50 0 EJAARN CC(C)c1cccc(C(C)C)c1NC(=O)CCSc1nncs1 ZINC000013012207 564086729 /nfs/dbraw/zinc/08/67/29/564086729.db2.gz QMCITSRDZLEGJB-UHFFFAOYSA-N 0 0 349.525 4.906 50 0 EJAARN Cc1nc2ccc(NC(=O)Cc3c(F)cccc3Cl)cc2s1 ZINC000002627710 564087473 /nfs/dbraw/zinc/08/74/73/564087473.db2.gz HVDHIWYHQRITSQ-UHFFFAOYSA-N 0 0 334.803 4.578 50 0 EJAARN Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)/C=C/c1ccco1 ZINC000053424004 564087599 /nfs/dbraw/zinc/08/75/99/564087599.db2.gz SYCJTBQVOCEHOH-NHAQELONSA-N 0 0 338.432 4.602 50 0 EJAARN Cc1cccc(C(=O)Oc2c(=O)c3ccccc3oc2-c2ccco2)c1 ZINC000001789874 564087662 /nfs/dbraw/zinc/08/76/62/564087662.db2.gz DVDHQVYWSMUGBN-UHFFFAOYSA-N 0 0 346.338 4.581 50 0 EJAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccco2)cc1 ZINC000238936988 564087982 /nfs/dbraw/zinc/08/79/82/564087982.db2.gz SSDAMYPWBSRGJN-NQIIRXRSSA-N 0 0 346.386 4.531 50 0 EJAARN CN(C(=O)CCCOc1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000001886750 564089130 /nfs/dbraw/zinc/08/91/30/564089130.db2.gz FGOSBUKBKAYRFU-UHFFFAOYSA-N 0 0 344.282 4.944 50 0 EJAARN COC(=O)c1nc(-c2ccccc2)oc1Sc1ccc(C)cc1 ZINC000026842512 564089162 /nfs/dbraw/zinc/08/91/62/564089162.db2.gz BDVLRCXJXYEAQX-UHFFFAOYSA-N 0 0 325.389 4.588 50 0 EJAARN CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCC(=O)C[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253497967 564089500 /nfs/dbraw/zinc/08/95/00/564089500.db2.gz SYTVBUBBHFDVIK-HUXFSORQSA-N 0 0 332.484 4.530 50 0 EJAARN CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CCC(=O)C[C@]4(C)[C@@H]3CC[C@]21C ZINC000253497968 564089503 /nfs/dbraw/zinc/08/95/03/564089503.db2.gz SYTVBUBBHFDVIK-NJTRPHADSA-N 0 0 332.484 4.530 50 0 EJAARN C[C@@H](N[C@@H](c1ccoc1)c1ccccc1)c1nnc(-c2ccccc2)o1 ZINC000075612315 564089886 /nfs/dbraw/zinc/08/98/86/564089886.db2.gz JITLUYOGWWMRAP-DNVCBOLYSA-N 0 0 345.402 4.770 50 0 EJAARN C[C@@H](N[C@H](c1ccoc1)c1ccccc1)c1nnc(-c2ccccc2)o1 ZINC000075612312 564089887 /nfs/dbraw/zinc/08/98/87/564089887.db2.gz JITLUYOGWWMRAP-BEFAXECRSA-N 0 0 345.402 4.770 50 0 EJAARN CC(N=Nc1nc2ccccc2c(-c2ccccc2)n1)c1ccncc1 ZINC000252452306 564090106 /nfs/dbraw/zinc/09/01/06/564090106.db2.gz BGUJQNMCNCWRCS-UHFFFAOYSA-N 0 0 339.402 4.528 50 0 EJAARN Cc1ccc(-c2[nH]nc(NC(=O)c3ccccc3C(F)(F)F)c2C)o1 ZINC000192484494 564090225 /nfs/dbraw/zinc/09/02/25/564090225.db2.gz UEVFJDJGZCLLRX-UHFFFAOYSA-N 0 0 349.312 4.558 50 0 EJAARN COc1ccc(-c2cc(=O)oc3cc(OCC=C(C)C)ccc32)cc1 ZINC000000305551 564090494 /nfs/dbraw/zinc/09/04/94/564090494.db2.gz MKTCJIPAQIDHGR-UHFFFAOYSA-N 0 0 336.387 4.814 50 0 biogenic EJAARN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000000490951 564090580 /nfs/dbraw/zinc/09/05/80/564090580.db2.gz FDCINQSOYQUNKB-XVYLQWLCSA-N 0 0 332.484 4.530 50 0 biogenic,in-vitro EJAARN Cc1ccccc1[C@@H](C)Cc1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1 ZINC000521394013 564090890 /nfs/dbraw/zinc/09/08/90/564090890.db2.gz XZJLOUKOBBBOLX-NBHGPNQESA-N 0 0 348.446 4.969 50 0 EJAARN O=C(Nc1ccc(OC(F)F)cc1)C1(c2ccccc2F)CCCC1 ZINC000006508446 564091190 /nfs/dbraw/zinc/09/11/90/564091190.db2.gz YPOUSJQEQUFIRA-UHFFFAOYSA-N 0 0 349.352 4.878 50 0 EJAARN CCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1cc(C)ccc1C ZINC000064438944 564091334 /nfs/dbraw/zinc/09/13/34/564091334.db2.gz TZFFRJOZLXUOQU-UHFFFAOYSA-N 0 0 349.434 4.514 50 0 EJAARN CCCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccccc1C ZINC000064438996 564091348 /nfs/dbraw/zinc/09/13/48/564091348.db2.gz FCLKOKIQILFXEL-UHFFFAOYSA-N 0 0 349.434 4.596 50 0 EJAARN COc1ccc(-n2c(=S)[n-]nc2[C@@H]2C[C@H]2c2ccc(C)cc2)cc1 ZINC000006533835 564091697 /nfs/dbraw/zinc/09/16/97/564091697.db2.gz SQYRRWLGSBFELZ-DLBZAZTESA-N 0 0 337.448 4.518 50 0 EJAARN Cc1ccc([C@@H]2C[C@@H]2C2N=NC(=S)N2c2cccc(Cl)c2)cc1 ZINC000006533829 564091701 /nfs/dbraw/zinc/09/17/01/564091701.db2.gz XOELQQAHXNBRBG-HOTGVXAUSA-N 0 0 341.867 4.789 50 0 EJAARN FC(F)(F)c1cccc(CSc2n[nH]c(-c3ccccc3)n2)c1 ZINC000006552668 564091959 /nfs/dbraw/zinc/09/19/59/564091959.db2.gz BWDAHNGKVWJZLJ-UHFFFAOYSA-N 0 0 335.354 4.783 50 0 EJAARN CC(=O)c1ccccc1NC(=O)c1ccc(COc2ccccc2)cc1 ZINC000006553709 564091976 /nfs/dbraw/zinc/09/19/76/564091976.db2.gz JGEHXIGTLKROFR-UHFFFAOYSA-N 0 0 345.398 4.721 50 0 EJAARN COC(=O)c1cc(C)sc1NC(=S)Nc1ccc(C(C)C)cc1 ZINC000006571422 564092203 /nfs/dbraw/zinc/09/22/03/564092203.db2.gz FJCMGRSRMUEHQM-UHFFFAOYSA-N 0 0 348.493 4.775 50 0 EJAARN O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2c(s1)CCC2 ZINC000006596034 564092582 /nfs/dbraw/zinc/09/25/82/564092582.db2.gz IJAXOBNQEIDSTR-UHFFFAOYSA-N 0 0 348.471 4.793 50 0 EJAARN O=C(NC1CCCCCC1)c1c2c(sc1-n1cccc1)CCCC2 ZINC000006601070 564092673 /nfs/dbraw/zinc/09/26/73/564092673.db2.gz ZGXHTCFHSOAETJ-UHFFFAOYSA-N 0 0 342.508 4.870 50 0 EJAARN O=C(CCc1c[nH]c2ccccc12)Nc1ccccc1C(F)(F)F ZINC000006602677 564092820 /nfs/dbraw/zinc/09/28/20/564092820.db2.gz VAZBPFPQQGSGSC-UHFFFAOYSA-N 0 0 332.325 4.758 50 0 EJAARN Cc1cccn2cc(CSc3ncnc4c5ccccc5oc43)nc12 ZINC000006609226 564093240 /nfs/dbraw/zinc/09/32/40/564093240.db2.gz KWSODZOZGJRLAJ-UHFFFAOYSA-N 0 0 346.415 4.624 50 0 EJAARN Cc1cc(C)c(NC(=O)CSc2ccc3ccccc3n2)c(C)c1 ZINC000005627482 564093310 /nfs/dbraw/zinc/09/33/10/564093310.db2.gz NLOJMLBGCVOVLV-UHFFFAOYSA-N 0 0 336.460 4.891 50 0 EJAARN O=C(c1ccc(-c2nc3ccccc3s2)cc1)N1CCC(F)CC1 ZINC000426441754 564093741 /nfs/dbraw/zinc/09/37/41/564093741.db2.gz KFZMTYHFHLZHJG-UHFFFAOYSA-N 0 0 340.423 4.537 50 0 EJAARN CC[C@H]1CCCN(C(=O)c2ccc(-c3ccncc3F)cc2)CC1 ZINC000426511818 564093941 /nfs/dbraw/zinc/09/39/41/564093941.db2.gz UYMFFBXPFRUWCN-HNNXBMFYSA-N 0 0 326.415 4.540 50 0 EJAARN CC[C@@H]1CCCN(C(=O)c2ccc(-c3ccncc3F)cc2)CC1 ZINC000426511819 564093959 /nfs/dbraw/zinc/09/39/59/564093959.db2.gz UYMFFBXPFRUWCN-OAHLLOKOSA-N 0 0 326.415 4.540 50 0 EJAARN Cc1ccc([C@@H](C)NC(=O)N(Cc2ccsc2)C2CCCC2)cn1 ZINC000426662530 564094353 /nfs/dbraw/zinc/09/43/53/564094353.db2.gz VUEFAMXFGPKLFI-OAHLLOKOSA-N 0 0 343.496 4.667 50 0 EJAARN CC(C)C[C@@H](C)NC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000002065850 564094380 /nfs/dbraw/zinc/09/43/80/564094380.db2.gz OPIYFNCNOUJGON-IAGOWNOFSA-N 0 0 337.463 4.572 50 0 EJAARN O=C(OCc1ncc(-c2ccccc2)o1)C12CC3CC(CC(C3)C1)C2 ZINC000006618529 564094576 /nfs/dbraw/zinc/09/45/76/564094576.db2.gz DDCGSOCPQZBXMJ-UHFFFAOYSA-N 0 0 337.419 4.601 50 0 EJAARN CCCCNC(=O)Cn1c(-c2cccs2)cc2cc(Cl)ccc21 ZINC000064657730 564094779 /nfs/dbraw/zinc/09/47/79/564094779.db2.gz DUWHJVYHTDLSLG-UHFFFAOYSA-N 0 0 346.883 4.940 50 0 EJAARN CC[C@@H]1Cn2c(C(=O)NC3CCCCCCC3)cc3cccc(c32)O1 ZINC000064657834 564094814 /nfs/dbraw/zinc/09/48/14/564094814.db2.gz KJXTYNQNQBCJRS-QGZVFWFLSA-N 0 0 340.467 4.655 50 0 EJAARN CC(C)CCn1cnc2c(-c3cccc(Cl)c3)csc2c1=O ZINC000064667745 564094982 /nfs/dbraw/zinc/09/49/82/564094982.db2.gz DISKXGIVNOJLSE-UHFFFAOYSA-N 0 0 332.856 4.825 50 0 EJAARN O=C(Nc1ccccc1-c1ccccc1)c1ccc(-n2cccn2)cc1 ZINC000006647200 564095064 /nfs/dbraw/zinc/09/50/64/564095064.db2.gz HYYOQGZEDDMCJN-UHFFFAOYSA-N 0 0 339.398 4.792 50 0 EJAARN Cc1ccc(C(=O)Oc2c(C)cc(Br)cc2Cl)o1 ZINC000006649242 564095087 /nfs/dbraw/zinc/09/50/87/564095087.db2.gz FQVKQXYTYIMYGV-UHFFFAOYSA-N 0 0 329.577 4.532 50 0 EJAARN COc1ccc(Nc2ccccc2NC(=O)Cc2ccsc2)cc1 ZINC000006650467 564095220 /nfs/dbraw/zinc/09/52/20/564095220.db2.gz IJIWJLADFYZILN-UHFFFAOYSA-N 0 0 338.432 4.682 50 0 EJAARN Cc1nc(-c2cccc(-c3noc(-c4cccs4)n3)c2)cs1 ZINC000064676978 564095263 /nfs/dbraw/zinc/09/52/63/564095263.db2.gz ACRCJMFMBNPFJD-UHFFFAOYSA-N 0 0 325.418 4.897 50 0 EJAARN O=C(c1ccc(Cl)cc1)N1CCC(CCOc2ccccc2)CC1 ZINC000064678014 564095328 /nfs/dbraw/zinc/09/53/28/564095328.db2.gz LLNQODAVPGMRAR-UHFFFAOYSA-N 0 0 343.854 4.661 50 0 EJAARN COc1ccc(C(=O)Nc2cc(-c3nc(C)cs3)sc2C)cc1 ZINC000064677942 564095339 /nfs/dbraw/zinc/09/53/39/564095339.db2.gz GVMPJPLPIYHTBD-UHFFFAOYSA-N 0 0 344.461 4.749 50 0 EJAARN Cc1ccc(CNC(=O)c2ccc(-c3csc(C4CC4)n3)cc2)o1 ZINC000064677606 564095400 /nfs/dbraw/zinc/09/54/00/564095400.db2.gz AIBUVTPKGOMTNN-UHFFFAOYSA-N 0 0 338.432 4.519 50 0 EJAARN CCOC(=O)c1nc2cc(C)c(C)cc2nc1Nc1ccc(C)c(C)c1 ZINC000064690410 564095483 /nfs/dbraw/zinc/09/54/83/564095483.db2.gz RFSNJVPKWOJONN-UHFFFAOYSA-N 0 0 349.434 4.784 50 0 EJAARN Cc1[nH]c2ccc(C(=O)Nc3cccc(Br)c3)cc2c1C ZINC000006670001 564095745 /nfs/dbraw/zinc/09/57/45/564095745.db2.gz WWOCJAUJRMHXOP-UHFFFAOYSA-N 0 0 343.224 4.800 50 0 EJAARN CCCn1cnc2cc(CNC(=O)c3ccc(C(C)(C)C)cc3)ccc21 ZINC000064755021 564095878 /nfs/dbraw/zinc/09/58/78/564095878.db2.gz JBKRWEOLWNSYHC-UHFFFAOYSA-N 0 0 349.478 4.674 50 0 EJAARN COc1c2cc(F)ccc2sc1C(=O)Nc1cc(F)cc(F)c1 ZINC000064756450 564095909 /nfs/dbraw/zinc/09/59/09/564095909.db2.gz OYWPLDNSHJUKBN-UHFFFAOYSA-N 0 0 337.322 4.580 50 0 EJAARN CCc1nc2c(-c3ccc(C)cc3)noc2c(NCc2ccccc2)n1 ZINC000064835151 564096696 /nfs/dbraw/zinc/09/66/96/564096696.db2.gz UDFMEANQGXGUAV-UHFFFAOYSA-N 0 0 344.418 4.768 50 0 EJAARN CC1CCN(C(=O)c2cc3c(s2)-c2ccccc2SC3)CC1 ZINC000006738612 564096700 /nfs/dbraw/zinc/09/67/00/564096700.db2.gz YYPHKYZQLQBLQE-UHFFFAOYSA-N 0 0 329.490 4.893 50 0 EJAARN Cc1c(Cl)cccc1N[C@@H]1c2ccccc2C(=O)N1c1ccccn1 ZINC000006745347 564096842 /nfs/dbraw/zinc/09/68/42/564096842.db2.gz MURMJDCPUBBHHV-IBGZPJMESA-N 0 0 349.821 4.815 50 0 EJAARN O=C(c1ccc(Cl)cc1)N(Cc1ccco1)Cc1cccc(F)c1 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AHDIDMQKFFTXIO-LJQANCHMSA-N 0 0 345.446 4.778 50 0 EJAARN CC(C)NC(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000007148587 564105532 /nfs/dbraw/zinc/10/55/32/564105532.db2.gz NMZZJRDZCHHYBH-SFHVURJKSA-N 0 0 333.884 4.687 50 0 EJAARN Cc1nc(-c2ccsc2)sc1C(=O)NC(C)(C)c1ccccc1 ZINC000065402382 564105730 /nfs/dbraw/zinc/10/57/30/564105730.db2.gz QQKPWBIQJDTNTM-UHFFFAOYSA-N 0 0 342.489 4.845 50 0 EJAARN O=C(N[C@H](c1ccccc1)c1ccc(OC(F)F)cc1)C1CCCC1 ZINC000007281233 564106414 /nfs/dbraw/zinc/10/64/14/564106414.db2.gz XHPBKUUXJJJLDD-GOSISDBHSA-N 0 0 345.389 4.684 50 0 EJAARN O=C(OCc1cc(-c2ccco2)on1)c1cc2c(cccc2F)s1 ZINC000007335282 564106947 /nfs/dbraw/zinc/10/69/47/564106947.db2.gz MEVLUMHQRALKSV-UHFFFAOYSA-N 0 0 343.335 4.645 50 0 EJAARN Cc1ncc(CSc2nccn2-c2cccc(Cl)c2C)s1 ZINC000065575505 564107660 /nfs/dbraw/zinc/10/76/60/564107660.db2.gz OWUUXZSEHQJQLN-UHFFFAOYSA-N 0 0 335.885 4.891 50 0 EJAARN C[C@H](SC12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc(F)c1 ZINC000007418624 564108142 /nfs/dbraw/zinc/10/81/42/564108142.db2.gz NPEAHAPVNKHACN-UHSVVUDUSA-N 0 0 333.472 4.855 50 0 EJAARN Cc1nc(-c2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2)cs1 ZINC000007437723 564108509 /nfs/dbraw/zinc/10/85/09/564108509.db2.gz QZCBDEPZCPOMKE-UHFFFAOYSA-N 0 0 347.443 4.781 50 0 EJAARN CC(=O)Nc1ccc(S[C@@H](C)C(=O)c2ccc(Cl)cc2)cc1 ZINC000007466864 564108689 /nfs/dbraw/zinc/10/86/89/564108689.db2.gz UBHGUEUDDUWLAV-NSHDSACASA-N 0 0 333.840 4.662 50 0 EJAARN O=c1ccc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2o1 ZINC000007466988 564108698 /nfs/dbraw/zinc/10/86/98/564108698.db2.gz AJHBRMSMOWANGG-UHFFFAOYSA-N 0 0 341.672 4.653 50 0 EJAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cc(Cl)ccc1C ZINC000007463240 564108722 /nfs/dbraw/zinc/10/87/22/564108722.db2.gz DAZHAXCPKVVHMJ-UHFFFAOYSA-N 0 0 347.890 4.689 50 0 EJAARN O=C(Nc1nc2ccc(Cl)cc2s1)C1(c2ccccc2)CC1 ZINC000007485947 564108857 /nfs/dbraw/zinc/10/88/57/564108857.db2.gz AUOVROKXXCBDLM-UHFFFAOYSA-N 0 0 328.824 4.620 50 0 EJAARN C=Cc1ccc(C(=O)N[C@@H](CC)c2nc(C(F)(F)F)cs2)cc1 ZINC000170595803 564109056 /nfs/dbraw/zinc/10/90/56/564109056.db2.gz SZPBULIXMFQUIJ-LBPRGKRZSA-N 0 0 340.370 4.686 50 0 EJAARN C[C@@H](CC(=O)N1CCCC[C@H](C)C1)c1ccccc1C(F)(F)F ZINC000170598800 564109233 /nfs/dbraw/zinc/10/92/33/564109233.db2.gz YUEYDLABPLJROX-KBPBESRZSA-N 0 0 327.390 4.848 50 0 EJAARN COc1cc(-c2ccccc2)sc1C(=O)N(C)Cc1ccoc1C ZINC000065689990 564109279 /nfs/dbraw/zinc/10/92/79/564109279.db2.gz CYIQGFSZIHHVFU-UHFFFAOYSA-N 0 0 341.432 4.597 50 0 EJAARN COc1cccc(NC(=S)NC(c2ccccc2)c2ccccc2)c1 ZINC000007517990 564109525 /nfs/dbraw/zinc/10/95/25/564109525.db2.gz ZZLUIURBLTXCKL-UHFFFAOYSA-N 0 0 348.471 4.771 50 0 EJAARN CC(C)(C)n1cnnc1SCSCc1ccc(Cl)cc1 ZINC000170605603 564109544 /nfs/dbraw/zinc/10/95/44/564109544.db2.gz KSLKFFLVEUWGMZ-UHFFFAOYSA-N 0 0 327.906 4.670 50 0 EJAARN Cc1cccc(C(=O)N2N=C(c3ccsc3)C[C@@H]2c2ccco2)c1 ZINC000170618190 564110128 /nfs/dbraw/zinc/11/01/28/564110128.db2.gz XUQNZPDJNHXCCD-QGZVFWFLSA-N 0 0 336.416 4.641 50 0 EJAARN CC(C)=C[C@@H]1[C@H](C(=O)N[C@H](c2nccs2)c2ccccc2)C1(C)C ZINC000170621206 564110196 /nfs/dbraw/zinc/11/01/96/564110196.db2.gz OCCKDBGGTURBEV-ZACQAIPSSA-N 0 0 340.492 4.587 50 0 EJAARN C[C@H]1C[C@@H](CC(=O)N2CCC(OC3CCCC3)CC2)CC(C)(C)C1 ZINC000170620590 564110242 /nfs/dbraw/zinc/11/02/42/564110242.db2.gz KXRCRNJZKXINSK-IRXDYDNUSA-N 0 0 335.532 4.789 50 0 EJAARN C[C@H](C1CC1)N(C)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 ZINC000170620757 564110274 /nfs/dbraw/zinc/11/02/74/564110274.db2.gz IEZROHBAMXOHRN-CQSZACIVSA-N 0 0 342.414 4.667 50 0 EJAARN Cc1ccc(C[C@H]2CCCN2C(=O)c2cc3ccc(C)cc3[nH]2)cc1 ZINC000170626438 564110535 /nfs/dbraw/zinc/11/05/35/564110535.db2.gz SYTXZKBMLJRLOW-LJQANCHMSA-N 0 0 332.447 4.632 50 0 EJAARN Cc1cccc([C@@H]2CCCCCN2C(=O)c2cc(C(C)C)n[nH]2)c1 ZINC000170630489 564110604 /nfs/dbraw/zinc/11/06/04/564110604.db2.gz QDRDOBUIQPZTCB-IBGZPJMESA-N 0 0 325.456 4.599 50 0 EJAARN CN(c1ccccc1)c1ccccc1NCc1nc(-c2ccco2)no1 ZINC000042110911 564110715 /nfs/dbraw/zinc/11/07/15/564110715.db2.gz LKWCZRDKBWXYNV-UHFFFAOYSA-N 0 0 346.390 4.710 50 0 EJAARN Cc1noc2nc(C)cc(C(=O)Nc3cccc4c3ccn4C(C)C)c12 ZINC000071284467 564110835 /nfs/dbraw/zinc/11/08/35/564110835.db2.gz YJRXFTMRXJKYQP-UHFFFAOYSA-N 0 0 348.406 4.628 50 0 EJAARN O=C1C[C@@H](c2cccc(OC(F)F)c2)c2cnn(C3CCCC3)c2N1 ZINC000071282937 564110995 /nfs/dbraw/zinc/11/09/95/564110995.db2.gz UDXFGGOYANRGEE-AWEZNQCLSA-N 0 0 347.365 4.723 50 0 EJAARN Cc1ccc(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)c(Cl)c1 ZINC000042709663 564111089 /nfs/dbraw/zinc/11/10/89/564111089.db2.gz BOWVCPGBNRWDNR-UHFFFAOYSA-N 0 0 331.847 4.730 50 0 EJAARN Cc1nc2scc(-c3ccccc3)c2c(NCc2cccc(O)c2)n1 ZINC000071816942 564111176 /nfs/dbraw/zinc/11/11/76/564111176.db2.gz KNJWWNMECINITK-UHFFFAOYSA-N 0 0 347.443 4.984 50 0 EJAARN COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CCC[C@H]1C1CCCC1 ZINC000071823947 564111350 /nfs/dbraw/zinc/11/13/50/564111350.db2.gz ATEFWHOCVBTOLP-RXVVDRJESA-N 0 0 341.495 4.686 50 0 EJAARN CC[C@@H](NC(=O)Nc1cc(C)ccc1OC)c1ccc(Cl)cc1 ZINC000013329019 564111565 /nfs/dbraw/zinc/11/15/65/564111565.db2.gz SUZOCIQHHVSJSP-OAHLLOKOSA-N 0 0 332.831 4.930 50 0 EJAARN CCC(=O)Nc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000013614240 564111863 /nfs/dbraw/zinc/11/18/63/564111863.db2.gz KMRDIPIHBJGTEJ-UHFFFAOYSA-N 0 0 337.206 4.594 50 0 EJAARN Cc1cc(NC(=S)Nc2cccc(F)c2)ccc1Br ZINC000013736930 564111922 /nfs/dbraw/zinc/11/19/22/564111922.db2.gz FUVSKULXTXPHFE-UHFFFAOYSA-N 0 0 339.233 4.706 50 0 EJAARN CC(C)c1cc(NC(=O)CSc2cc(Cl)ccc2Cl)on1 ZINC000014223153 564112369 /nfs/dbraw/zinc/11/23/69/564112369.db2.gz AFYRALUODOEUAD-UHFFFAOYSA-N 0 0 345.251 4.836 50 0 EJAARN O=C(CSc1ccccc1)Nc1ccccc1SC(F)F ZINC000014603154 564112536 /nfs/dbraw/zinc/11/25/36/564112536.db2.gz ZRSVFLPOYGPJQP-UHFFFAOYSA-N 0 0 325.405 4.732 50 0 EJAARN Cc1cccc(NC(=O)c2ccc(OC(C)C)c(Br)c2)c1 ZINC000014657979 564112998 /nfs/dbraw/zinc/11/29/98/564112998.db2.gz CZNRPMXXGFNXIG-UHFFFAOYSA-N 0 0 348.240 4.797 50 0 EJAARN Cc1ccc2oc(-c3ccccc3)c/c(=N\Cc3cccnc3)c2c1 ZINC000016755001 564113012 /nfs/dbraw/zinc/11/30/12/564113012.db2.gz YYYGMHZTTIAHRR-HIXSDJFHSA-N 0 0 326.399 4.904 50 0 EJAARN Cc1csc(C2(NCc3cnc(C4CCC4)s3)CCCC2)n1 ZINC000089705461 564113309 /nfs/dbraw/zinc/11/33/09/564113309.db2.gz DOZPGBPDXPXDQW-UHFFFAOYSA-N 0 0 333.526 4.735 50 0 EJAARN Cc1cc(C)c(NC(=O)c2cccc(-c3ccoc3)c2)c(Cl)n1 ZINC000089812126 564114000 /nfs/dbraw/zinc/11/40/00/564114000.db2.gz GDUPCDURNIMDBZ-UHFFFAOYSA-N 0 0 326.783 4.864 50 0 EJAARN O=C(c1ccccc1)N1N=C(c2ccsc2)C[C@@H]1c1ccsc1 ZINC000089822920 564114047 /nfs/dbraw/zinc/11/40/47/564114047.db2.gz YFKBHJQCOUIQLN-QGZVFWFLSA-N 0 0 338.457 4.801 50 0 EJAARN O=C(N(Cc1ccc(Cl)cc1)C1CC1)C1(c2ccccc2)CC1 ZINC000089827682 564114079 /nfs/dbraw/zinc/11/40/79/564114079.db2.gz QRPSDVNNXPNTBU-UHFFFAOYSA-N 0 0 325.839 4.563 50 0 EJAARN Cc1cc(N(C)C)cc(C)c1NC(=O)c1cccc(-c2ccoc2)c1 ZINC000089831981 564114168 /nfs/dbraw/zinc/11/41/68/564114168.db2.gz JGFTXBHREVDAPD-UHFFFAOYSA-N 0 0 334.419 4.882 50 0 EJAARN CC(C)c1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)no1 ZINC000076060618 564115119 /nfs/dbraw/zinc/11/51/19/564115119.db2.gz DSIKTYGFCJNIHK-WDEREUQCSA-N 0 0 339.222 4.847 50 0 EJAARN CC(C)c1cc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)no1 ZINC000076060623 564115140 /nfs/dbraw/zinc/11/51/40/564115140.db2.gz DSIKTYGFCJNIHK-QWRGUYRKSA-N 0 0 339.222 4.847 50 0 EJAARN O=C(C1CCC(F)(F)CC1)N(CC(F)F)c1cccc(Cl)c1 ZINC000090000706 564116140 /nfs/dbraw/zinc/11/61/40/564116140.db2.gz AVHDYSAKEAIHPX-UHFFFAOYSA-N 0 0 337.744 4.764 50 0 EJAARN c1ccc(OCc2ccccc2CNc2ncnc3ccccc32)cc1 ZINC000170632335 564116250 /nfs/dbraw/zinc/11/62/50/564116250.db2.gz QQIVVISJTPAOLU-UHFFFAOYSA-N 0 0 341.414 4.821 50 0 EJAARN CCCN(C(=O)c1ccco1)c1nc(-c2ccc(C)cc2)cs1 ZINC000017086989 564116400 /nfs/dbraw/zinc/11/64/00/564116400.db2.gz VJXGEDSXEPHWJT-UHFFFAOYSA-N 0 0 326.421 4.768 50 0 EJAARN C[C@H]1SC2(CCCCC2)N(c2ccc(Br)cc2)C1=O ZINC000001063936 564116846 /nfs/dbraw/zinc/11/68/46/564116846.db2.gz PFXLETOLBSXYAK-LLVKDONJSA-N 0 0 340.286 4.578 50 0 EJAARN CCCc1nnc(-c2cc3ccccc3n2Cc2ccc(F)cc2)o1 ZINC000017287292 564116891 /nfs/dbraw/zinc/11/68/91/564116891.db2.gz ZAOLYKWHPIGMBS-UHFFFAOYSA-N 0 0 335.382 4.831 50 0 EJAARN Cc1ccc(-c2cn3ccccc3n2)cc1NC(=O)c1cccs1 ZINC000006703074 564117440 /nfs/dbraw/zinc/11/74/40/564117440.db2.gz VYCMTAKVJUIFJX-UHFFFAOYSA-N 0 0 333.416 4.624 50 0 EJAARN COc1ccc2c(Cl)cc(NC(=O)Nc3ccccc3)nc2c1 ZINC000000397198 564118865 /nfs/dbraw/zinc/11/88/65/564118865.db2.gz GIPWMDPSGWDUGH-UHFFFAOYSA-N 0 0 327.771 4.541 50 0 EJAARN COc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000000398098 564118873 /nfs/dbraw/zinc/11/88/73/564118873.db2.gz SLJCHUBTZQWVEY-UHFFFAOYSA-N 0 0 330.598 4.908 50 0 EJAARN COC(=O)c1cc(C(=O)OC)c(-c2ccccc2)c(-c2ccccc2)c1 ZINC000000393039 564118888 /nfs/dbraw/zinc/11/88/88/564118888.db2.gz RIXOWWKNFPOMBF-UHFFFAOYSA-N 0 0 346.382 4.594 50 0 EJAARN O=c1cc(-c2cc3cc(Cl)ccc3o2)c2cc3c(cc2o1)OCO3 ZINC000002137660 564118890 /nfs/dbraw/zinc/11/88/90/564118890.db2.gz FWIHJRABBUAFHA-UHFFFAOYSA-N 0 0 340.718 4.588 50 0 biogenic EJAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000007605928 564120871 /nfs/dbraw/zinc/12/08/71/564120871.db2.gz YPXMFCDXHPLXCC-SNVBAGLBSA-N 0 0 342.197 4.847 50 0 EJAARN CC(=O)c1ccc(OC(=O)CCc2ccc(-c3ccccc3)o2)cc1 ZINC000007656274 564121596 /nfs/dbraw/zinc/12/15/96/564121596.db2.gz ISFZYSVDRLXOKS-UHFFFAOYSA-N 0 0 334.371 4.687 50 0 EJAARN CC(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1 ZINC000007668590 564121700 /nfs/dbraw/zinc/12/17/00/564121700.db2.gz JSIBDWIIPLYOTM-UHFFFAOYSA-N 0 0 345.398 4.721 50 0 EJAARN Cc1ccccc1C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000007688740 564121935 /nfs/dbraw/zinc/12/19/35/564121935.db2.gz GJSQVCKTAWSOAW-UHFFFAOYSA-N 0 0 330.359 4.649 50 0 EJAARN CO[C@@H](C)c1cccc(NC(=O)c2cc3ccc(F)cc3nc2C)c1 ZINC000170728992 564122049 /nfs/dbraw/zinc/12/20/49/564122049.db2.gz HCLACDMHXFMNRZ-ZDUSSCGKSA-N 0 0 338.382 4.642 50 0 EJAARN Cc1cc(C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)c(C)o1 ZINC000007723626 564122254 /nfs/dbraw/zinc/12/22/54/564122254.db2.gz MQTUOPBJMYRPEK-UHFFFAOYSA-N 0 0 326.421 4.889 50 0 EJAARN Cc1cccc2sc(NC(=O)c3cnc(Cl)c(Cl)c3)nc21 ZINC000007725238 564122294 /nfs/dbraw/zinc/12/22/94/564122294.db2.gz GETYETMNJRSRNI-UHFFFAOYSA-N 0 0 338.219 4.559 50 0 EJAARN CCc1ccccc1NC(=O)CS[C@H](C)c1nc2ccccc2[nH]1 ZINC000007724155 564122303 /nfs/dbraw/zinc/12/23/03/564122303.db2.gz HNQSLLAURRVTOW-CYBMUJFWSA-N 0 0 339.464 4.558 50 0 EJAARN COc1ccc(CCn2c(C)cc(-c3csc(C)n3)c2C)cc1 ZINC000007763286 564122893 /nfs/dbraw/zinc/12/28/93/564122893.db2.gz AURHMYLLKPWUCV-UHFFFAOYSA-N 0 0 326.465 4.788 50 0 EJAARN O=C(c1ccc2c(c1)CCC2)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000007777667 564123003 /nfs/dbraw/zinc/12/30/03/564123003.db2.gz VXDKFUSMXPPHSM-GOSISDBHSA-N 0 0 348.471 4.762 50 0 EJAARN CCc1ccccc1NC(=O)c1ccc(OCc2cscn2)cc1 ZINC000007808104 564123792 /nfs/dbraw/zinc/12/37/92/564123792.db2.gz YLVMHRRTNKITGO-UHFFFAOYSA-N 0 0 338.432 4.537 50 0 EJAARN Cc1cccc(OCCCC(=O)N[C@H]2CCSc3ccccc32)c1 ZINC000007814074 564123971 /nfs/dbraw/zinc/12/39/71/564123971.db2.gz AMKXGSRWHQYFIV-SFHVURJKSA-N 0 0 341.476 4.507 50 0 EJAARN c1sc(=Nc2ccccc2)n(Cc2cccnc2)c1-c1ccccc1 ZINC000252674805 564124862 /nfs/dbraw/zinc/12/48/62/564124862.db2.gz SPGWDSRXEQHWPK-UHFFFAOYSA-N 0 0 343.455 4.892 50 0 EJAARN CCCCc1nc2sc3c(ncnc3OC(C)C)c2c2c1CCC2 ZINC000002233364 564124931 /nfs/dbraw/zinc/12/49/31/564124931.db2.gz JYYNIVGRGBZDQL-UHFFFAOYSA-N 0 0 341.480 4.858 50 0 EJAARN CSc1ccc(CN(C)[C@H](C)c2nnc(-c3cccs3)o2)cc1 ZINC000007918596 564125159 /nfs/dbraw/zinc/12/51/59/564125159.db2.gz YLMHSGRFASYVHD-GFCCVEGCSA-N 0 0 345.493 4.713 50 0 EJAARN CCCOc1ccc(Cc2c(Cl)nc(SC)nc2Cl)cc1 ZINC000002262059 564125336 /nfs/dbraw/zinc/12/53/36/564125336.db2.gz ULGNLOQEJRSZPU-UHFFFAOYSA-N 0 0 343.279 4.885 50 0 EJAARN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]43C)[C@@H]1CC[C@@]21CCC(=O)O1 ZINC000006251004 564128970 /nfs/dbraw/zinc/12/89/70/564128970.db2.gz UWBICEKKOYXZRG-KJYHQLEASA-N 0 0 342.479 4.594 50 0 EJAARN COC(=O)c1cc(-c2ccc(F)cc2)nc(-c2ccc(Cl)cc2)c1 ZINC000019863408 564129042 /nfs/dbraw/zinc/12/90/42/564129042.db2.gz FJKVODVXKSNHMD-UHFFFAOYSA-N 0 0 341.769 4.995 50 0 EJAARN Cc1ccc(OC2CN(C(c3ccccc3)c3ccccc3)C2)cc1 ZINC000143558863 564129564 /nfs/dbraw/zinc/12/95/64/564129564.db2.gz AEPAOVCXVUYHOS-UHFFFAOYSA-N 0 0 329.443 4.848 50 0 EJAARN COc1cc2c(cc1NC(=O)[C@@H](C)c1ccccn1)oc1ccccc12 ZINC000253405581 564130668 /nfs/dbraw/zinc/13/06/68/564130668.db2.gz OFIUYHHYPDSQAN-ZDUSSCGKSA-N 0 0 346.386 4.732 50 0 EJAARN O=C(Nc1ncc(C(F)(F)F)s1)N1CCC[C@@H]1c1cccs1 ZINC000253428028 564131232 /nfs/dbraw/zinc/13/12/32/564131232.db2.gz GGANJLIMULZARN-MRVPVSSYSA-N 0 0 347.387 4.592 50 0 EJAARN C[C@H](NC(=O)C1(c2cccnc2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000253431210 564131822 /nfs/dbraw/zinc/13/18/22/564131822.db2.gz QOGDCSKXGJBIRQ-KRWDZBQOSA-N 0 0 342.442 4.658 50 0 EJAARN O=C(c1ccc2cc[nH]c2c1)N(Cc1ccco1)Cc1ccccc1 ZINC000054983735 564132217 /nfs/dbraw/zinc/13/22/17/564132217.db2.gz FLRFEQMRFFVBFP-UHFFFAOYSA-N 0 0 330.387 4.604 50 0 EJAARN CCC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253497471 564133870 /nfs/dbraw/zinc/13/38/70/564133870.db2.gz XTAARPJDFFXHGH-BPADXHFQSA-N 0 0 346.511 4.920 50 0 biogenic EJAARN FC(F)(F)c1cccc(CN2CCC(Oc3ccccc3)CC2)c1 ZINC000064794189 564134068 /nfs/dbraw/zinc/13/40/68/564134068.db2.gz XCDCEYRVEXJLEP-UHFFFAOYSA-N 0 0 335.369 4.749 50 0 EJAARN CCOc1ccc(NC(=O)c2csc(-c3ccsc3)n2)cc1 ZINC000007942834 564135371 /nfs/dbraw/zinc/13/53/71/564135371.db2.gz DZFBHIZXJBQYNC-UHFFFAOYSA-N 0 0 330.434 4.523 50 0 EJAARN O=C(c1ccccc1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000007947052 564135494 /nfs/dbraw/zinc/13/54/94/564135494.db2.gz KCMKURXPLXDGKE-KRWDZBQOSA-N 0 0 325.458 4.598 50 0 EJAARN CS(=O)(=O)c1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC000012953070 564135707 /nfs/dbraw/zinc/13/57/07/564135707.db2.gz DEEIIIYCCCKJHZ-UHFFFAOYSA-N 0 0 349.864 4.534 50 0 EJAARN Oc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccsc2)c1 ZINC000013036287 564135924 /nfs/dbraw/zinc/13/59/24/564135924.db2.gz ZAPRQINYUUNAMD-AZUAARDMSA-N 0 0 348.427 4.696 50 0 EJAARN CCOc1ccc(/C=C/c2nc(-c3ccccc3)no2)cc1OCC ZINC000013361840 564136244 /nfs/dbraw/zinc/13/62/44/564136244.db2.gz YIXJPGJZHBTLQZ-ACCUITESSA-N 0 0 336.391 4.704 50 0 EJAARN O=C(Nc1nccs1)N1CCC[C@@H]1Cc1cccc2ccccc21 ZINC000078716893 564136922 /nfs/dbraw/zinc/13/69/22/564136922.db2.gz NOFXJURIKGCJLM-MRXNPFEDSA-N 0 0 337.448 4.535 50 0 EJAARN Cc1csc(C2(NC(=O)Nc3cccc(Cl)c3)CCCC2)n1 ZINC000078821432 564137252 /nfs/dbraw/zinc/13/72/52/564137252.db2.gz HPGWINGJWGANKR-UHFFFAOYSA-N 0 0 335.860 4.696 50 0 EJAARN CC(C)(C)OC(=O)Cc1cccc(NCc2cccc(Cl)c2)c1 ZINC000078904340 564137358 /nfs/dbraw/zinc/13/73/58/564137358.db2.gz VUKFBSUTTRSKSU-UHFFFAOYSA-N 0 0 331.843 4.836 50 0 EJAARN CC(=O)Nc1ccccc1C[N@@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000093821647 564137996 /nfs/dbraw/zinc/13/79/96/564137996.db2.gz POSHHECVKPFIQJ-CQSZACIVSA-N 0 0 345.512 4.726 50 0 EJAARN Fc1ccc([C@H](NCc2ncc(C3CC3)o2)C(F)(F)F)cc1Cl ZINC000277802297 564138198 /nfs/dbraw/zinc/13/81/98/564138198.db2.gz OPRPQCFPIALDQA-AWEZNQCLSA-N 0 0 348.727 4.738 50 0 EJAARN O=C(/C=C/c1cccs1)N[C@H](c1ccsc1)c1cccs1 ZINC000390827087 564138510 /nfs/dbraw/zinc/13/85/10/564138510.db2.gz TVAXWZUQWPBSHT-SQRWCISFSA-N 0 0 331.487 4.790 50 0 EJAARN O=C(Cc1ccccc1Cl)NCc1nc(C2CCCCC2)cs1 ZINC000390829824 564138611 /nfs/dbraw/zinc/13/86/11/564138611.db2.gz GVVKBPDMLIJLNE-UHFFFAOYSA-N 0 0 348.899 4.703 50 0 EJAARN CCN(C(=O)c1cnc(-c2ccncc2)s1)c1ccccc1Cl ZINC000390833337 564138799 /nfs/dbraw/zinc/13/87/99/564138799.db2.gz GFUFEQPKSLDDSS-UHFFFAOYSA-N 0 0 343.839 4.525 50 0 EJAARN C[C@H](Nc1ccc2nc(C(F)F)sc2c1)c1nc(C2CC2)no1 ZINC000390834538 564138975 /nfs/dbraw/zinc/13/89/75/564138975.db2.gz BCUSUDHCDYXASL-ZETCQYMHSA-N 0 0 336.367 4.667 50 0 EJAARN CC(C)CCNC(=O)C1(Cc2nc3ccccc3s2)CCCC1 ZINC000094993215 564139065 /nfs/dbraw/zinc/13/90/65/564139065.db2.gz VZSRPKNWPDLUFO-UHFFFAOYSA-N 0 0 330.497 4.562 50 0 EJAARN O=C(CCOc1cccc2ccccc21)Nc1ccc2ccccc2n1 ZINC000095349379 564139240 /nfs/dbraw/zinc/13/92/40/564139240.db2.gz SYXBGGPAFXQNKA-UHFFFAOYSA-N 0 0 342.398 4.796 50 0 EJAARN CCc1nnc([C@@H](C)Nc2ccc(OCc3ccco3)c(Cl)c2)o1 ZINC000095404404 564139529 /nfs/dbraw/zinc/13/95/29/564139529.db2.gz QAEUYEDOHYVNRZ-LLVKDONJSA-N 0 0 347.802 4.631 50 0 EJAARN Cc1ccc([C@@H](C)NC(=O)[C@H](C)Sc2nc3ccccc3s2)o1 ZINC000095447715 564140592 /nfs/dbraw/zinc/14/05/92/564140592.db2.gz YQYHITCCIHLCCY-NEPJUHHUSA-N 0 0 346.477 4.556 50 0 EJAARN Cc1noc(C)c1[C@H](C)N[C@@H](C)c1cc(Br)ccc1F ZINC000095968000 564143145 /nfs/dbraw/zinc/14/31/45/564143145.db2.gz WIZGCFOFHBHWJT-IUCAKERBSA-N 0 0 341.224 4.605 50 0 EJAARN CC(C)c1sc(Cl)nc1C(=O)Nc1cccc2ncccc21 ZINC000095477844 564141492 /nfs/dbraw/zinc/14/14/92/564141492.db2.gz FNDOENUTFWLXPO-UHFFFAOYSA-N 0 0 331.828 4.720 50 0 EJAARN CC1(C)C[C@@](CC(=O)N2CCCCC2)(c2ccc(Cl)cc2)CCO1 ZINC000095477301 564141498 /nfs/dbraw/zinc/14/14/98/564141498.db2.gz CMGUPMPTNHKMDU-HXUWFJFHSA-N 0 0 349.902 4.569 50 0 EJAARN O=C(Nc1ccc(F)c(Cl)c1)N1C[C@@H]2CCCN2c2ccccc21 ZINC000020597602 564141654 /nfs/dbraw/zinc/14/16/54/564141654.db2.gz NVSAENCEIWAWLU-ZDUSSCGKSA-N 0 0 345.805 4.500 50 0 EJAARN CCCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1csc(C(C)C)n1 ZINC000095953940 564142477 /nfs/dbraw/zinc/14/24/77/564142477.db2.gz SZCWOUNMYFZFCK-HNNXBMFYSA-N 0 0 349.887 4.896 50 0 EJAARN O=C(Nc1ccc2c(c1)C(=O)CCC2)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000095964147 564142872 /nfs/dbraw/zinc/14/28/72/564142872.db2.gz XLRWUYOBTCLLPE-CHWSQXEVSA-N 0 0 339.357 4.513 50 0 EJAARN Cc1cnc([C@H](C)N[C@H](C)c2ccc(F)cc2OC(F)F)s1 ZINC000095969010 564143341 /nfs/dbraw/zinc/14/33/41/564143341.db2.gz VULRKBJRUJEOHP-ZJUUUORDSA-N 0 0 330.375 4.604 50 0 EJAARN C[C@@H](NCc1nnsc1Cl)c1ccccc1Oc1ccccc1 ZINC000095984758 564143899 /nfs/dbraw/zinc/14/38/99/564143899.db2.gz XSVOPCHPWYPCIR-GFCCVEGCSA-N 0 0 345.855 4.835 50 0 EJAARN CO[C@@H](CNC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccsc1 ZINC000096097501 564145221 /nfs/dbraw/zinc/14/52/21/564145221.db2.gz KBENSZFUFSTKEC-ZDUSSCGKSA-N 0 0 345.251 4.564 50 0 EJAARN Cc1cccc([C@H]2CC(c3ccco3)=NN2C(=O)c2ccccc2)c1 ZINC000096118929 564145509 /nfs/dbraw/zinc/14/55/09/564145509.db2.gz VFZDFDNHJSJFCY-LJQANCHMSA-N 0 0 330.387 4.580 50 0 EJAARN CC[C@](CNC(=O)c1cccc2ccccc21)(OC)c1ccccc1 ZINC000096123703 564145667 /nfs/dbraw/zinc/14/56/67/564145667.db2.gz PZXUJHSIHPHZLF-JOCHJYFZSA-N 0 0 333.431 4.522 50 0 EJAARN O=C(NCc1cccs1)c1ccc(Oc2ccccc2Cl)o1 ZINC000096183824 564145899 /nfs/dbraw/zinc/14/58/99/564145899.db2.gz MPSAFHKCJNJGRB-UHFFFAOYSA-N 0 0 333.796 4.717 50 0 EJAARN Cc1ccc(/C=C\C(=O)Nc2ccccc2Sc2nccn2C)cc1 ZINC000096188079 564145902 /nfs/dbraw/zinc/14/59/02/564145902.db2.gz MKVUOBZRNLUMHB-QXMHVHEDSA-N 0 0 349.459 4.532 50 0 EJAARN CC[C@H](C)[C@@H](NC(=O)CC(C)(C)C)c1nc(-c2ccc(C)cc2)no1 ZINC000096278322 564146335 /nfs/dbraw/zinc/14/63/35/564146335.db2.gz LAFMTBCWIPKGBS-WMLDXEAASA-N 0 0 343.471 4.685 50 0 EJAARN C[C@@H](NC(=O)/C=C\c1cccc(-c2ccccc2)c1)c1ccccn1 ZINC000096291450 564146443 /nfs/dbraw/zinc/14/64/43/564146443.db2.gz PPTLTJZCHTYPIP-LKBMAGLMSA-N 0 0 328.415 4.639 50 0 EJAARN O=C(/C=C(/c1ccccc1)C(F)(F)F)N[C@@H](c1ccccc1)C1CC1 ZINC000096316219 564146762 /nfs/dbraw/zinc/14/67/62/564146762.db2.gz DVTPXLGYUVRVCA-LYDJUCFBSA-N 0 0 345.364 4.900 50 0 EJAARN CN(CC1CC1)C(=O)/C=C\c1ccc(-c2ccccc2Cl)s1 ZINC000096401798 564147090 /nfs/dbraw/zinc/14/70/90/564147090.db2.gz APNNKPVEXYBAKT-LUAWRHEFSA-N 0 0 331.868 4.950 50 0 EJAARN Cc1occc1C(=O)Nc1ccc(OC(C)C)cc1C(F)(F)F ZINC000096404150 564147244 /nfs/dbraw/zinc/14/72/44/564147244.db2.gz HKFAUCIBUSMHDQ-UHFFFAOYSA-N 0 0 327.302 4.646 50 0 EJAARN COc1cc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)cc(OC)c1 ZINC000007969917 564148256 /nfs/dbraw/zinc/14/82/56/564148256.db2.gz GFRPKIXBZLPFDD-SFHVURJKSA-N 0 0 347.842 4.736 50 0 EJAARN Cc1nnc(-c2ccccc2NC(=O)[C@@H](C)c2cc3ccccc3o2)o1 ZINC000096451932 564148259 /nfs/dbraw/zinc/14/82/59/564148259.db2.gz SLFXOQXGZRHPGB-LBPRGKRZSA-N 0 0 347.374 4.533 50 0 EJAARN CC(C)c1ccc(NC(=O)N2CCC[C@@H]([C@H](C)O)C2)c(C(C)C)c1 ZINC000096483244 564148640 /nfs/dbraw/zinc/14/86/40/564148640.db2.gz MGVSNMHKUYDIAF-DOTOQJQBSA-N 0 0 332.488 4.558 50 0 EJAARN CC(C)[C@H]1CCCCN1C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000097164727 564149510 /nfs/dbraw/zinc/14/95/10/564149510.db2.gz WHNNBLSCDPSUES-GOSISDBHSA-N 0 0 339.439 4.916 50 0 EJAARN Cc1cc(C)cc(OCc2nc(Cc3ccc(Cl)cc3)no2)c1 ZINC000002471800 564149714 /nfs/dbraw/zinc/14/97/14/564149714.db2.gz OKDZVHQAPZKDOA-UHFFFAOYSA-N 0 0 328.799 4.510 50 0 EJAARN Cc1c(C(=O)C(F)(F)F)c2ccccc2n1CCOc1ccccc1 ZINC000002478166 564149735 /nfs/dbraw/zinc/14/97/35/564149735.db2.gz OJYBHVFUYSJXGB-UHFFFAOYSA-N 0 0 347.336 4.774 50 0 EJAARN O=C(NCc1cccnc1-c1ccsc1)c1ccc(F)cc1Cl ZINC000225644936 564150116 /nfs/dbraw/zinc/15/01/16/564150116.db2.gz ZJWKDDCQAGCEMI-UHFFFAOYSA-N 0 0 346.814 4.533 50 0 EJAARN CC[C@H](C(=O)NCc1ccnc(-c2cccs2)c1)c1ccccc1 ZINC000225650250 564150164 /nfs/dbraw/zinc/15/01/64/564150164.db2.gz WFEJUGOJOWVZKW-KRWDZBQOSA-N 0 0 336.460 4.620 50 0 EJAARN O=C(NCc1cncc(-c2cccs2)c1)c1cccc2ccccc21 ZINC000225666323 564150198 /nfs/dbraw/zinc/15/01/98/564150198.db2.gz KWXNGTKQBCKONB-UHFFFAOYSA-N 0 0 344.439 4.893 50 0 EJAARN CO[C@@H](CNC(=O)Nc1ccccc1Cl)c1ccc(Cl)s1 ZINC000225709212 564150376 /nfs/dbraw/zinc/15/03/76/564150376.db2.gz ARALVJLRLPMIQE-NSHDSACASA-N 0 0 345.251 4.564 50 0 EJAARN CCn1c(C)c(C)c2cc(C(=O)Nc3ccc(N(C)C)cc3)ccc21 ZINC000028226665 564150730 /nfs/dbraw/zinc/15/07/30/564150730.db2.gz TVXCVAZORJSZOA-UHFFFAOYSA-N 0 0 335.451 4.596 50 0 EJAARN Cc1ccc(-c2cc(C(=O)Nc3ccon3)c3ccccc3n2)s1 ZINC000028227915 564150752 /nfs/dbraw/zinc/15/07/52/564150752.db2.gz VJNCTIPPWSZOFS-UHFFFAOYSA-N 0 0 335.388 4.512 50 0 EJAARN CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000002557145 564150762 /nfs/dbraw/zinc/15/07/62/564150762.db2.gz ILCTUFVQFCIIDS-NGFSFWIMSA-N 0 0 332.484 4.530 50 0 biogenic,in-vivo EJAARN C[C@H](NC(=O)c1c(F)cccc1Cl)c1cccc(C(F)(F)F)c1 ZINC000028433323 564151058 /nfs/dbraw/zinc/15/10/58/564151058.db2.gz KNJCMHNBIJKTEY-VIFPVBQESA-N 0 0 345.723 4.989 50 0 EJAARN CCC(CC)NC(=O)c1oc2ccccc2c1COc1ccccc1 ZINC000002616518 564151125 /nfs/dbraw/zinc/15/11/25/564151125.db2.gz VYEDDRDHSOTGSR-UHFFFAOYSA-N 0 0 337.419 4.930 50 0 EJAARN CC(C)Sc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1 ZINC000002618603 564151157 /nfs/dbraw/zinc/15/11/57/564151157.db2.gz YAHAZYCSDYEGEP-UHFFFAOYSA-N 0 0 348.830 4.679 50 0 EJAARN CCCSc1nc2sc3c(c2c(=O)n1[C@H](C)CC)CCCC3 ZINC000002624847 564151272 /nfs/dbraw/zinc/15/12/72/564151272.db2.gz LVKYJJSKEVQLRU-LLVKDONJSA-N 0 0 336.526 4.810 50 0 EJAARN Cc1nc2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2s1 ZINC000002629268 564151419 /nfs/dbraw/zinc/15/14/19/564151419.db2.gz WOUBVOZXBYQXHN-UHFFFAOYSA-N 0 0 346.477 4.529 50 0 EJAARN COc1cccc(CSc2nn(-c3ccccc3)c(=S)s2)c1 ZINC000002635783 564151557 /nfs/dbraw/zinc/15/15/57/564151557.db2.gz UMMKLXSDLHTKSN-UHFFFAOYSA-N 0 0 346.502 4.964 50 0 EJAARN Cc1nccn1-c1ccc(NC(=O)Nc2cccc3ccccc32)cc1 ZINC000028579857 564151680 /nfs/dbraw/zinc/15/16/80/564151680.db2.gz WESHKNPCBZBSRS-UHFFFAOYSA-N 0 0 342.402 4.978 50 0 EJAARN Cc1ccc2nc(NC(=O)Cc3c(F)cccc3Cl)sc2c1 ZINC000002642693 564151739 /nfs/dbraw/zinc/15/17/39/564151739.db2.gz AQTXDOBNRXHORN-UHFFFAOYSA-N 0 0 334.803 4.578 50 0 EJAARN CN(Cc1ccccc1)c1ncnc2sc(-c3ccccc3)cc21 ZINC000002645201 564151792 /nfs/dbraw/zinc/15/17/92/564151792.db2.gz RBKUPSGXWMKDSA-UHFFFAOYSA-N 0 0 331.444 4.995 50 0 EJAARN COc1ccc(CNc2ncnc3sc(-c4ccccc4)cc32)cc1 ZINC000002664933 564152104 /nfs/dbraw/zinc/15/21/04/564152104.db2.gz VOLDNORSELWHOR-UHFFFAOYSA-N 0 0 347.443 4.979 50 0 EJAARN Cc1noc(C)c1C(=O)Nc1nc(-c2ccc(C)c(C)c2)c(C)s1 ZINC000002743796 564152378 /nfs/dbraw/zinc/15/23/78/564152378.db2.gz HRJGYJQFBNEHOS-UHFFFAOYSA-N 0 0 341.436 4.593 50 0 EJAARN Cc1ccc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(C)c3n2)cc1 ZINC000002740850 564152382 /nfs/dbraw/zinc/15/23/82/564152382.db2.gz ZDBAEFAOIQYHCU-UHFFFAOYSA-N 0 0 331.341 4.840 50 0 EJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCCC1=CCCCC1 ZINC000002748888 564152431 /nfs/dbraw/zinc/15/24/31/564152431.db2.gz BCDLUOSWORPSFN-UHFFFAOYSA-N 0 0 344.842 4.924 50 0 EJAARN CCCCCCNc1nc(Cl)nc(Nc2ccc(Cl)cc2)n1 ZINC000002924880 564153066 /nfs/dbraw/zinc/15/30/66/564153066.db2.gz HQVBRBICXDEIIV-UHFFFAOYSA-N 0 0 340.258 4.914 50 0 EJAARN CCc1ccc(NC(=O)NCCSc2ccc(Cl)cc2)cc1 ZINC000002933931 564153109 /nfs/dbraw/zinc/15/31/09/564153109.db2.gz ZVKVQBGJGJCCCF-UHFFFAOYSA-N 0 0 334.872 4.816 50 0 EJAARN C[C@@H](NC(=O)c1cccnc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000029097255 564153139 /nfs/dbraw/zinc/15/31/39/564153139.db2.gz PVCKQBHSCLUICL-CQSZACIVSA-N 0 0 336.822 4.893 50 0 EJAARN Cc1nc2cc(NC(=O)Cc3ccc(-c4ccccc4)cc3)ccc2o1 ZINC000029796097 564153924 /nfs/dbraw/zinc/15/39/24/564153924.db2.gz XRMZTHLEUILWBI-UHFFFAOYSA-N 0 0 342.398 4.984 50 0 EJAARN CCN(CC)c1ccc(NC(=O)Nc2cccc(F)c2C)c(C)c1 ZINC000057405866 564153986 /nfs/dbraw/zinc/15/39/86/564153986.db2.gz WJDBCOUFEXWGEF-UHFFFAOYSA-N 0 0 329.419 4.933 50 0 EJAARN CCN(C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1)c1cccc(C)c1 ZINC000057412163 564154032 /nfs/dbraw/zinc/15/40/32/564154032.db2.gz DBSRPUXMZBCHOX-UHFFFAOYSA-N 0 0 339.826 4.705 50 0 EJAARN Cc1ccc(C)c(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)c1 ZINC000057412207 564154090 /nfs/dbraw/zinc/15/40/90/564154090.db2.gz QCELHOOLQPGUEG-UHFFFAOYSA-N 0 0 325.799 4.599 50 0 EJAARN CN(C(=O)c1cc(-c2ccccc2Cl)[nH]n1)c1ccccc1Cl ZINC000057412412 564154122 /nfs/dbraw/zinc/15/41/22/564154122.db2.gz HDYCUONXXLMREY-UHFFFAOYSA-N 0 0 346.217 4.660 50 0 EJAARN Cc1ccc(/C=C2\N=C(c3ccc(-c4ccccc4)cc3)OC2=O)o1 ZINC000003016405 564154396 /nfs/dbraw/zinc/15/43/96/564154396.db2.gz GTIIIUNPGJWDLP-UYRXBGFRSA-N 0 0 329.355 4.600 50 0 EJAARN CN(C(=O)c1cnc(Cl)c2ccccc12)c1ccc(Cl)cc1 ZINC000003041687 564154664 /nfs/dbraw/zinc/15/46/64/564154664.db2.gz CTBNBVYVEIHCTD-UHFFFAOYSA-N 0 0 331.202 4.818 50 0 EJAARN CSCc1cc(Oc2ccc(Cl)cc2)nc(-c2ccncc2)n1 ZINC000003105287 564155188 /nfs/dbraw/zinc/15/51/88/564155188.db2.gz WHCJQSHAXWQWGZ-UHFFFAOYSA-N 0 0 343.839 4.847 50 0 EJAARN C[C@H](c1ccco1)N(C(=O)c1ccc(Cl)s1)c1ccccn1 ZINC000003183793 564155770 /nfs/dbraw/zinc/15/57/70/564155770.db2.gz GFNIUVDTKGETNT-LLVKDONJSA-N 0 0 332.812 4.798 50 0 EJAARN O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccc(F)cc1F ZINC000003207487 564155942 /nfs/dbraw/zinc/15/59/42/564155942.db2.gz FVSZEHRREHZENS-UHFFFAOYSA-N 0 0 339.341 4.649 50 0 EJAARN CCC(=O)Oc1ccc(-c2nc(-c3ccccc3)c3ccccn32)cc1 ZINC000003226572 564156234 /nfs/dbraw/zinc/15/62/34/564156234.db2.gz RMXUGOCNHKGXDG-UHFFFAOYSA-N 0 0 342.398 4.984 50 0 EJAARN Cc1nn(-c2ccccc2)c(Sc2ccc(Cl)cc2)c1C=O ZINC000003252636 564156615 /nfs/dbraw/zinc/15/66/15/564156615.db2.gz NYGPNKKEUMUDCK-UHFFFAOYSA-N 0 0 328.824 4.798 50 0 EJAARN CCOc1ccc(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1 ZINC000003258989 564156705 /nfs/dbraw/zinc/15/67/05/564156705.db2.gz PYWGEBIIPMRWPH-XMHGGMMESA-N 0 0 349.430 4.727 50 0 EJAARN O=C(OCc1nc2ccccc2s1)c1cc2ccccc2cc1O ZINC000003273910 564156832 /nfs/dbraw/zinc/15/68/32/564156832.db2.gz ZBJDVJMCJTZQGS-UHFFFAOYSA-N 0 0 335.384 4.512 50 0 EJAARN CCCCCN1COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C1 ZINC000058015129 564157219 /nfs/dbraw/zinc/15/72/19/564157219.db2.gz HTPUSSSKQUWKFZ-UHFFFAOYSA-N 0 0 349.430 4.802 50 0 EJAARN CCN(CC)c1ccc(NC(=O)CNc2cccc(Cl)c2C)cc1 ZINC000003321734 564157329 /nfs/dbraw/zinc/15/73/29/564157329.db2.gz NIPJLNMYJAXNDD-UHFFFAOYSA-N 0 0 345.874 4.545 50 0 EJAARN FC(F)(F)c1ccnn1-c1nc(-c2ccccc2Cl)cs1 ZINC000003406287 564158002 /nfs/dbraw/zinc/15/80/02/564158002.db2.gz XQHDACAEQHNGDC-UHFFFAOYSA-N 0 0 329.734 4.668 50 0 EJAARN Cc1cccc(-c2nnc(SCc3ccc(Cl)cc3)n2C)c1 ZINC000003421285 564158064 /nfs/dbraw/zinc/15/80/64/564158064.db2.gz NRBDUUWSBOBBSL-UHFFFAOYSA-N 0 0 329.856 4.736 50 0 EJAARN O=C(Nc1nc2c(s1)CCCC2)c1cccc(Cl)c1Cl ZINC000003437608 564158156 /nfs/dbraw/zinc/15/81/56/564158156.db2.gz SAGBPIOAYTZKKD-UHFFFAOYSA-N 0 0 327.236 4.581 50 0 EJAARN Fc1ccccc1CSc1nnc(NCc2ccccc2)s1 ZINC000003490875 564158463 /nfs/dbraw/zinc/15/84/63/564158463.db2.gz JNXPYYMGRVMLJM-UHFFFAOYSA-N 0 0 331.441 4.582 50 0 EJAARN O=C(Cc1c[nH]c2ccccc12)Nc1ccc(OC2CCCC2)cc1 ZINC000031245390 564159214 /nfs/dbraw/zinc/15/92/14/564159214.db2.gz QRTLXVWFQVEGSZ-UHFFFAOYSA-N 0 0 334.419 4.671 50 0 EJAARN COc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1F ZINC000003611935 564159225 /nfs/dbraw/zinc/15/92/25/564159225.db2.gz LEUGWXHCYOUKTA-UHFFFAOYSA-N 0 0 329.758 4.893 50 0 EJAARN COc1ccc2ccccc2c1[S@@](=O)Nc1ccc(Cl)cc1 ZINC000003855894 564159537 /nfs/dbraw/zinc/15/95/37/564159537.db2.gz RVJXJMDMACIIHU-QFIPXVFZSA-N 0 0 331.824 4.637 50 0 EJAARN CCCCC1CCC(C(=O)Nc2nnc(SCCC)s2)CC1 ZINC000004079409 564160408 /nfs/dbraw/zinc/16/04/08/564160408.db2.gz LELDWRUVRNOQLT-UHFFFAOYSA-N 0 0 341.546 4.975 50 0 EJAARN CCOC(=O)c1sc(Nc2nc3ccc(OC)cc3s2)cc1C ZINC000004137744 564160864 /nfs/dbraw/zinc/16/08/64/564160864.db2.gz MDPIEEVCGADTQR-UHFFFAOYSA-N 0 0 348.449 4.595 50 0 aggregator EJAARN O=C(C[C@]1(c2ccccc2)C=C(c2ccccc2)NO1)c1ccccc1 ZINC000059500520 564161439 /nfs/dbraw/zinc/16/14/39/564161439.db2.gz UCSBPQGLBXAGQN-QHCPKHFHSA-N 0 0 341.410 4.731 50 0 EJAARN O=C(CCc1cccc(Cl)c1Cl)N1CCc2ccccc2C1 ZINC000032477373 564161531 /nfs/dbraw/zinc/16/15/31/564161531.db2.gz LQGUPDAUICFXKW-UHFFFAOYSA-N 0 0 334.246 4.511 50 0 EJAARN Cc1ccccc1CN(C)c1nc(-c2cccnc2)nc2ccccc21 ZINC000007984976 564161772 /nfs/dbraw/zinc/16/17/72/564161772.db2.gz IBAFLZQDQCZMTK-UHFFFAOYSA-N 0 0 340.430 4.637 50 0 EJAARN O=C([O-])C1CCC([NH2+][C@@H](c2ccsc2)c2ccc(Cl)cc2)CC1 ZINC000263496427 564162244 /nfs/dbraw/zinc/16/22/44/564162244.db2.gz TVBRWKMJYDURLG-QWFMPGPPSA-N 0 0 349.883 4.724 50 0 EJAARN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(-c2ccccc2)cs1 ZINC000263508324 564162507 /nfs/dbraw/zinc/16/25/07/564162507.db2.gz MQUGAWWECAKHFH-MNEFBYGVSA-N 0 0 341.476 4.633 50 0 EJAARN Cc1ccc(NC(=O)c2ccc(COc3ccccc3)o2)cc1F ZINC000008083079 564162626 /nfs/dbraw/zinc/16/26/26/564162626.db2.gz XXNDGZVULNLHHF-UHFFFAOYSA-N 0 0 325.339 4.558 50 0 EJAARN Cc1cccc(C)c1NC(=O)CN(C)Cc1ccc(C(C)(C)C)cc1 ZINC000008092519 564162645 /nfs/dbraw/zinc/16/26/45/564162645.db2.gz AXBTTWWPDPIPLI-UHFFFAOYSA-N 0 0 338.495 4.671 50 0 EJAARN O=C1CCCN1c1cccc(-c2csc(-c3ccsc3)n2)c1 ZINC000008102891 564162673 /nfs/dbraw/zinc/16/26/73/564162673.db2.gz VKYSAFQELFOVDZ-UHFFFAOYSA-N 0 0 326.446 4.665 50 0 EJAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(Cl)cc1F ZINC000008122828 564162894 /nfs/dbraw/zinc/16/28/94/564162894.db2.gz NRFDXIKNIHGOAI-UHFFFAOYSA-N 0 0 347.802 4.558 50 0 EJAARN O=C(NCCc1cccs1)c1cc(-c2ccco2)nc2ccccc21 ZINC000008133653 564163076 /nfs/dbraw/zinc/16/30/76/564163076.db2.gz LOADEBZSWKAXOF-UHFFFAOYSA-N 0 0 348.427 4.529 50 0 EJAARN COc1cc(Cl)c(C)cc1NC(=O)CCn1ccc2ccccc21 ZINC000008137193 564163180 /nfs/dbraw/zinc/16/31/80/564163180.db2.gz GGOWATHHFWSCFL-UHFFFAOYSA-N 0 0 342.826 4.641 50 0 EJAARN COc1ccc(NC(=O)[C@H](C)SCc2cccc(Cl)c2)cc1 ZINC000008185048 564163403 /nfs/dbraw/zinc/16/34/03/564163403.db2.gz PZQBCHAHKIUNPN-LBPRGKRZSA-N 0 0 335.856 4.609 50 0 EJAARN CC(C)c1ccccc1OCC(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000008239132 564163751 /nfs/dbraw/zinc/16/37/51/564163751.db2.gz AAKOMNUVQXEKMC-HNNXBMFYSA-N 0 0 337.419 4.812 50 0 EJAARN Cc1nc(-c2cccs2)sc1C(=O)NCc1ccccc1Cl ZINC000008273471 564163935 /nfs/dbraw/zinc/16/39/35/564163935.db2.gz LQGQUFYUGVIMRB-UHFFFAOYSA-N 0 0 348.880 4.763 50 0 EJAARN Fc1ccc(-c2nc(-c3ccc4c(c3)OCCCO4)cs2)cc1 ZINC000008296966 564164069 /nfs/dbraw/zinc/16/40/69/564164069.db2.gz YMCYLURRBGVKDD-UHFFFAOYSA-N 0 0 327.380 4.778 50 0 EJAARN CC(=O)Nc1ccc(-c2csc(NCc3ccc(F)cc3)n2)cc1 ZINC000008298734 564164093 /nfs/dbraw/zinc/16/40/93/564164093.db2.gz FCWCJZIKEGSZGG-UHFFFAOYSA-N 0 0 341.411 4.520 50 0 EJAARN Cc1noc(C)c1C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 ZINC000008311926 564164189 /nfs/dbraw/zinc/16/41/89/564164189.db2.gz OLPJLRKAQRNOGV-UHFFFAOYSA-N 0 0 332.359 4.957 50 0 EJAARN CC(C)c1ccccc1NC(=O)CN1CCC[C@H]1c1cccs1 ZINC000008320493 564164301 /nfs/dbraw/zinc/16/43/01/564164301.db2.gz AGKLKHFSLZBCFF-KRWDZBQOSA-N 0 0 328.481 4.647 50 0 EJAARN COc1ccc(-c2nc(-c3ccccc3OC)cs2)c(OC)c1 ZINC000008327594 564164463 /nfs/dbraw/zinc/16/44/63/564164463.db2.gz QRHXUQIOCWMXNJ-UHFFFAOYSA-N 0 0 327.405 4.503 50 0 EJAARN O=C(OCc1nc2ccccc2o1)C1(c2ccc(F)cc2)CCCC1 ZINC000008403172 564165118 /nfs/dbraw/zinc/16/51/18/564165118.db2.gz PORSRELWLFVQDF-UHFFFAOYSA-N 0 0 339.366 4.522 50 0 EJAARN O=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000008425147 564165211 /nfs/dbraw/zinc/16/52/11/564165211.db2.gz HLYYCXKHZSDQJM-UHFFFAOYSA-N 0 0 338.386 4.546 50 0 EJAARN Cc1ccc(-c2nnc(SCc3ncc(-c4ccccc4)o3)o2)cc1 ZINC000008507802 564165506 /nfs/dbraw/zinc/16/55/06/564165506.db2.gz GUAZLLNKFYWUOE-UHFFFAOYSA-N 0 0 349.415 4.992 50 0 EJAARN CC(C)C(=O)Nc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000008559107 564165704 /nfs/dbraw/zinc/16/57/04/564165704.db2.gz LZTATPWIPUCEPG-UHFFFAOYSA-N 0 0 341.798 4.652 50 0 EJAARN S=c1[nH]c(=S)c2nc(-c3ccccc3)c(-c3ccccc3)nc2[nH]1 ZINC000038792837 564165734 /nfs/dbraw/zinc/16/57/34/564165734.db2.gz CGIJUNUHGKECDZ-UHFFFAOYSA-N 0 0 348.456 4.705 50 0 EJAARN Cc1ccccc1C(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 ZINC000008586763 564165876 /nfs/dbraw/zinc/16/58/76/564165876.db2.gz VRBKAVPBWIPIHK-ZDUSSCGKSA-N 0 0 328.481 4.855 50 0 EJAARN C[C@H](c1ccccc1)N1C(=O)c2ccccc2N[C@@H]1c1cccc(O)c1 ZINC000008719566 564166936 /nfs/dbraw/zinc/16/69/36/564166936.db2.gz OUIGPQRSUZBJQS-VFNWGFHPSA-N 0 0 344.414 4.720 50 0 EJAARN Cc1nnc(Sc2ncnc3scc(-c4ccccc4)c32)s1 ZINC000008734082 564167063 /nfs/dbraw/zinc/16/70/63/564167063.db2.gz LPRPGYNEVSZQNB-UHFFFAOYSA-N 0 0 342.474 4.669 50 0 EJAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc(F)cc1 ZINC000008751048 564167289 /nfs/dbraw/zinc/16/72/89/564167289.db2.gz ZQIGNSCSSQCZMP-UHFFFAOYSA-N 0 0 344.773 4.705 50 0 EJAARN CCOc1ccc(NC(=O)c2ncoc2-c2ccc(C)cc2)c(C)c1 ZINC000172846965 564167833 /nfs/dbraw/zinc/16/78/33/564167833.db2.gz JHCYCACZNNJTPM-UHFFFAOYSA-N 0 0 336.391 4.609 50 0 EJAARN C[C@H](c1cc2ccccc2o1)N(C)Cc1nc(-c2ccsc2)no1 ZINC000040066996 564167842 /nfs/dbraw/zinc/16/78/42/564167842.db2.gz AXZBKCDNCYEPMJ-GFCCVEGCSA-N 0 0 339.420 4.737 50 0 EJAARN O=C(Nc1cc(Cl)cc(Cl)c1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000040096713 564168026 /nfs/dbraw/zinc/16/80/26/564168026.db2.gz AAEIURHGKRUGNE-MRVPVSSYSA-N 0 0 341.160 4.800 50 0 EJAARN Cn1c2ccccc2c(Cl)c1C(=O)Nc1cccc2cccnc21 ZINC000040144923 564168340 /nfs/dbraw/zinc/16/83/40/564168340.db2.gz KZOWOLNTTORJMC-UHFFFAOYSA-N 0 0 335.794 4.632 50 0 EJAARN Clc1cccc(-c2noc(-c3cc(-c4cccs4)[nH]n3)n2)c1 ZINC000009002119 564168540 /nfs/dbraw/zinc/16/85/40/564168540.db2.gz JOWRWCOCVZHIHJ-UHFFFAOYSA-N 0 0 328.784 4.509 50 0 EJAARN C[C@@H]1CCC[C@@H](NC(=O)c2cc3c(s2)-c2ccccc2OC3)[C@H]1C ZINC000245309090 564169060 /nfs/dbraw/zinc/16/90/60/564169060.db2.gz ASPBTQIBFYDPAN-DVOMOZLQSA-N 0 0 341.476 4.862 50 0 EJAARN CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccc2[nH]ccc2c1 ZINC000069419482 564169376 /nfs/dbraw/zinc/16/93/76/564169376.db2.gz WRFUYHCIUSIOCV-INIZCTEOSA-N 0 0 325.437 4.771 50 0 EJAARN Cc1cn2cc(NC(=O)c3cccc(Oc4ccccc4)c3)ccc2n1 ZINC000069516236 564170072 /nfs/dbraw/zinc/17/00/72/564170072.db2.gz UZKPYTNNWLBQAZ-UHFFFAOYSA-N 0 0 343.386 4.687 50 0 EJAARN CC(C)CN1c2ccc(NC(=O)CCC3CCCC3)cc2CCC1=O ZINC000009137425 564170403 /nfs/dbraw/zinc/17/04/03/564170403.db2.gz XZDIAMAROJECFL-UHFFFAOYSA-N 0 0 342.483 4.531 50 0 EJAARN CCOCc1ccccc1NC(=O)N(Cc1ccccc1)C(C)C ZINC000069564914 564170495 /nfs/dbraw/zinc/17/04/95/564170495.db2.gz XJYDZIRAUCUMEY-UHFFFAOYSA-N 0 0 326.440 4.666 50 0 EJAARN Cc1cc(CNC(=O)Nc2ccc(SC(C)(C)C)cc2C)no1 ZINC000069570580 564170602 /nfs/dbraw/zinc/17/06/02/564170602.db2.gz BNFSEHQGXQNCCE-UHFFFAOYSA-N 0 0 333.457 4.504 50 0 EJAARN CC[C@H](C)c1noc([C@@H]2CCCCN2C(=O)CCC2CCCC2)n1 ZINC000041123381 564173376 /nfs/dbraw/zinc/17/33/76/564173376.db2.gz ZAJQCHGHJDKMRI-HOCLYGCPSA-N 0 0 333.476 4.607 50 0 EJAARN Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(C)c3ncccc23)c1 ZINC000041157028 564173623 /nfs/dbraw/zinc/17/36/23/564173623.db2.gz VMZFTOFGTZCSTM-INIZCTEOSA-N 0 0 334.419 4.566 50 0 EJAARN C[C@@H]1C[C@H]1c1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)o1 ZINC000009471097 564173818 /nfs/dbraw/zinc/17/38/18/564173818.db2.gz BPTPWNQCCVWLBB-OWDMVUQNSA-N 0 0 348.402 4.763 50 0 EJAARN O=c1[nH]c2c(-c3ccc(Cl)cc3)sc(=S)n2c2ccccc12 ZINC000015828629 564173980 /nfs/dbraw/zinc/17/39/80/564173980.db2.gz KAXBRFIVDMWGMH-UHFFFAOYSA-N 0 0 344.848 4.892 50 0 EJAARN Cc1cccc(NC(=O)N2CCn3cccc3[C@@H]2Cc2ccccc2)c1 ZINC000009528222 564174031 /nfs/dbraw/zinc/17/40/31/564174031.db2.gz BOYHQKASNSUTNS-NRFANRHFSA-N 0 0 345.446 4.628 50 0 EJAARN CC[C@H](NC(=O)Nc1ccccc1)c1ccc(Br)cc1 ZINC000009602543 564174282 /nfs/dbraw/zinc/17/42/82/564174282.db2.gz PHHQNQUCRAQKIF-HNNXBMFYSA-N 0 0 333.229 4.722 50 0 EJAARN CCc1c(C)nc2nc(-c3ccccc3)nn2c1Nc1ccc(F)cc1 ZINC000009607681 564174294 /nfs/dbraw/zinc/17/42/94/564174294.db2.gz HWHIXRVZQGJZMR-UHFFFAOYSA-N 0 0 347.397 4.545 50 0 EJAARN O=C(C1CCCCC1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 ZINC000009833740 564174681 /nfs/dbraw/zinc/17/46/81/564174681.db2.gz YMKMGLGWQOZEMX-NRFANRHFSA-N 0 0 332.447 4.945 50 0 EJAARN C/C=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2C)c(OC)c1 ZINC000009911300 564174808 /nfs/dbraw/zinc/17/48/08/564174808.db2.gz JJMRREMIWOLJMK-GQCTYLIASA-N 0 0 345.826 4.708 50 0 EJAARN O=C1CS[C@H](c2cc3c(c(Cl)c2)OCO3)c2sccc2N1 ZINC000071279880 564174829 /nfs/dbraw/zinc/17/48/29/564174829.db2.gz XNEXYGIFQQIDGA-CYBMUJFWSA-N 0 0 339.825 4.554 50 0 EJAARN c1cc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cs1 ZINC000010215060 564175120 /nfs/dbraw/zinc/17/51/20/564175120.db2.gz YASSPHSXBBCXCW-UYAOXDASSA-N 0 0 332.428 4.990 50 0 EJAARN Cc1ccccc1-c1nnc(-c2ccc(C(=O)OC[C@H]3C[C@H]3C)cc2)o1 ZINC000071827954 564175665 /nfs/dbraw/zinc/17/56/65/564175665.db2.gz XTDBJNVREHZWHC-RHSMWYFYSA-N 0 0 348.402 4.525 50 0 EJAARN Cc1nc2ccc(NC(=O)N3CC[C@H](c4ccccc4)C3)cc2s1 ZINC000000619117 568418078 /nfs/dbraw/zinc/41/80/78/568418078.db2.gz XIKIYUFWADFRIU-HNNXBMFYSA-N 0 0 337.448 4.626 50 0 EJAARN CCCC[C@H](CC)CNC(=O)/C=C\c1ccc(Br)cc1 ZINC000033455696 568418374 /nfs/dbraw/zinc/41/83/74/568418374.db2.gz CJFQCRMOKGWYRC-UQTJOTSZSA-N 0 0 338.289 4.795 50 0 EJAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CCc2ccccc2)cs1 ZINC000018235522 568422728 /nfs/dbraw/zinc/42/27/28/568422728.db2.gz RDRVTQNYERVJEN-UHFFFAOYSA-N 0 0 348.471 4.640 50 0 EJAARN CCN(C(=O)c1cc(C)nc2onc(C)c21)c1ccc2ccccc2c1 ZINC000050380556 214055264 /nfs/dbraw/zinc/05/52/64/214055264.db2.gz NCLBSDUACWCNFS-UHFFFAOYSA-N 0 0 345.402 4.660 50 0 EJAARN CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(-n2ccnc2)nc1 ZINC000050589756 214061092 /nfs/dbraw/zinc/06/10/92/214061092.db2.gz SDRLCGHNSZVJJS-UHFFFAOYSA-N 0 0 348.450 4.766 50 0 EJAARN c1csc(-c2nnc(CSC3=Nc4ccccc4CS3)o2)c1 ZINC000052463365 214129245 /nfs/dbraw/zinc/12/92/45/214129245.db2.gz NDYORGKHUFHKPE-UHFFFAOYSA-N 0 0 345.474 4.966 50 0 EJAARN CCCCCc1nnc(NC(=O)c2ccc(OCC(C)C)cc2)s1 ZINC000004723916 210259933 /nfs/dbraw/zinc/25/99/33/210259933.db2.gz NNHKBXYGVWNPFH-UHFFFAOYSA-N 0 0 347.484 4.558 50 0 EJAARN OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1 ZINC000004716437 210258367 /nfs/dbraw/zinc/25/83/67/210258367.db2.gz NBNTWDUNCHRWMT-UHFFFAOYSA-N 0 0 330.214 4.673 50 0 EJAARN Cc1nc2cc(C(=O)NCCCSC3CCCCC3)ccc2s1 ZINC000097681737 219047640 /nfs/dbraw/zinc/04/76/40/219047640.db2.gz XKYMSJUGYJQVBR-UHFFFAOYSA-N 0 0 348.537 4.791 50 0 EJAARN OC(c1ccncc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000004716448 210257399 /nfs/dbraw/zinc/25/73/99/210257399.db2.gz VKOPHINUFIVPPC-UHFFFAOYSA-N 0 0 330.214 4.673 50 0 EJAARN Fc1cc(C(F)(F)F)ccc1CN1CCCC[C@@H]1c1ccccn1 ZINC000097698903 219049588 /nfs/dbraw/zinc/04/95/88/219049588.db2.gz OQAHQMZNJIGUGC-QGZVFWFLSA-N 0 0 338.348 4.967 50 0 EJAARN CCCCC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000054256632 214227304 /nfs/dbraw/zinc/22/73/04/214227304.db2.gz MMCOVDVXHOUKRR-UHFFFAOYSA-N 0 0 330.815 4.721 50 0 EJAARN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1cc(F)ccc1C ZINC000173044028 230869790 /nfs/dbraw/zinc/86/97/90/230869790.db2.gz ILCZDMLOWVDLNM-UHFFFAOYSA-N 0 0 343.789 4.534 50 0 EJAARN CCCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(C)c1 ZINC000004700842 210251657 /nfs/dbraw/zinc/25/16/57/210251657.db2.gz KJMMBWRUMRFVKP-UHFFFAOYSA-N 0 0 336.391 4.732 50 0 EJAARN Cc1oc(-c2ccccc2Cl)cc1C(=O)NCc1ncccc1C ZINC000055036448 214265007 /nfs/dbraw/zinc/26/50/07/214265007.db2.gz WUIUXSAJLONKPH-UHFFFAOYSA-N 0 0 340.810 4.542 50 0 EJAARN Cc1cc(Cl)ccc1OCCCC(=O)N[C@H](C)c1ccccc1 ZINC000004696111 210250841 /nfs/dbraw/zinc/25/08/41/210250841.db2.gz BZVUWGKTLKZCGR-OAHLLOKOSA-N 0 0 331.843 4.685 50 0 EJAARN C[C@H](c1ccco1)N(C)C(=O)c1ccccc1NCc1cccs1 ZINC000055226003 214291262 /nfs/dbraw/zinc/29/12/62/214291262.db2.gz XWVPSTGWJRMJIO-CQSZACIVSA-N 0 0 340.448 4.786 50 0 EJAARN Cc1c(OCc2cccc(F)c2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000055416890 214322613 /nfs/dbraw/zinc/32/26/13/214322613.db2.gz DILFNWMWIYWQNB-UHFFFAOYSA-N 0 0 338.378 4.698 50 0 EJAARN COc1ccc(NCc2ncc(-c3ccc(Cl)cc3)o2)cc1F ZINC000055860991 214344761 /nfs/dbraw/zinc/34/47/61/214344761.db2.gz YYJSHKKXZFDLJU-UHFFFAOYSA-N 0 0 332.762 4.755 50 0 EJAARN O=C(Nc1c(F)cccc1F)/C(=C/c1ccco1)c1ccccc1 ZINC000004682315 210246807 /nfs/dbraw/zinc/24/68/07/210246807.db2.gz GMHLHAZSRFNKCU-NTCAYCPXSA-N 0 0 325.314 4.737 50 0 EJAARN Cc1cccc([C@H]2CCCN2C(=O)Cc2coc(-c3ccccc3)n2)c1 ZINC000056001453 214352547 /nfs/dbraw/zinc/35/25/47/214352547.db2.gz LMQMMKLVTOUBME-HXUWFJFHSA-N 0 0 346.430 4.556 50 0 EJAARN Cn1c(-c2ccc(F)cc2)cn2cc(-c3ccc(Cl)cc3)nc12 ZINC000004678238 210244968 /nfs/dbraw/zinc/24/49/68/210244968.db2.gz XHFRRWMCLASBKV-UHFFFAOYSA-N 0 0 325.774 4.799 50 0 EJAARN CCCCOc1ccc(C=C2SC(=S)NC2=O)cc1OCC ZINC000056696462 214384912 /nfs/dbraw/zinc/38/49/12/214384912.db2.gz HJICRLBGEZDSIF-GXDHUFHOSA-N 0 0 337.466 4.593 50 0 EJAARN O=C(Nc1ccc(F)c(Cl)c1)[C@@H](c1ccccc1)n1cccc1 ZINC000056907465 214395491 /nfs/dbraw/zinc/39/54/91/214395491.db2.gz FKBVZVMCZGQRID-QGZVFWFLSA-N 0 0 328.774 4.509 50 0 EJAARN COc1ccccc1[C@@H](C)N(C)C(=O)Nc1ccccc1OC(C)C ZINC000058028678 214473989 /nfs/dbraw/zinc/47/39/89/214473989.db2.gz WDXGAVONPSHQDX-OAHLLOKOSA-N 0 0 342.439 4.707 50 0 EJAARN CCOC(=O)c1c(-c2ccccc2)cc(-c2ccccc2)sc1=O ZINC000004666811 210241854 /nfs/dbraw/zinc/24/18/54/210241854.db2.gz XWFLFZZOYDMJEO-UHFFFAOYSA-N 0 0 336.412 4.619 50 0 EJAARN CCc1cc2c(ncnc2N[C@@H](c2ccccc2)[C@H]2CCCO2)s1 ZINC000058217487 214508275 /nfs/dbraw/zinc/50/82/75/214508275.db2.gz NVDDZKKWHPNRQN-SJORKVTESA-N 0 0 339.464 4.586 50 0 EJAARN O=C(N1CCCCCC1)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000058202058 214501914 /nfs/dbraw/zinc/50/19/14/214501914.db2.gz PZZMTVZQDXOCJS-MGAZVUHYSA-N 0 0 337.507 4.927 50 0 EJAARN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1ccc(C)cc1C ZINC000097992385 219066761 /nfs/dbraw/zinc/06/67/61/219066761.db2.gz WSVISILGSGXIMD-MHWRWJLKSA-N 0 0 336.460 4.636 50 0 EJAARN O=C(/C=C\c1cccc2cccnc12)OCc1ccc(F)cc1Cl ZINC000098003334 219067314 /nfs/dbraw/zinc/06/73/14/219067314.db2.gz CQBLPDZRRWDISF-CLFYSBASSA-N 0 0 341.769 4.784 50 0 EJAARN Cc1cccc(C2=N/C(=C\c3ccc(Cl)c(Cl)c3)C(=O)O2)c1 ZINC000004644521 210237283 /nfs/dbraw/zinc/23/72/83/210237283.db2.gz XFUGWCBMKVOUFP-DHDCSXOGSA-N 0 0 332.186 4.646 50 0 EJAARN CCCCSc1nc(=O)c2c([nH]1)sc(C)c2-c1ccccc1 ZINC000004649957 210236669 /nfs/dbraw/zinc/23/66/69/210236669.db2.gz IKVPVZJWIMWCJD-UHFFFAOYSA-N 0 0 330.478 4.852 50 0 EJAARN Cc1ccc(C(=O)N([C@@H](C)c2cccc(C(F)(F)F)c2)C2CC2)o1 ZINC000058700937 214601644 /nfs/dbraw/zinc/60/16/44/214601644.db2.gz NQNAAPLUBZTOMW-LBPRGKRZSA-N 0 0 337.341 4.973 50 0 EJAARN Cc1oc(-c2ccccc2)nc1C[S@](=O)C/C=C\c1ccccc1 ZINC000098042557 219073289 /nfs/dbraw/zinc/07/32/89/219073289.db2.gz VRNJLPPVXALICB-KVOGHMLTSA-N 0 0 337.444 4.612 50 0 EJAARN C[C@H](C1CC1)N(C)C(=O)/C=C\c1ccc(Cl)c(C(F)(F)F)c1 ZINC000098054433 219074588 /nfs/dbraw/zinc/07/45/88/219074588.db2.gz VRHKOKBFKNGYFY-NAXAJZLFSA-N 0 0 331.765 4.629 50 0 EJAARN O=C(/C=C\c1ccsc1)N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000098059363 219076046 /nfs/dbraw/zinc/07/60/46/219076046.db2.gz SRLRAIQREPPJCD-QWGSZXSUSA-N 0 0 338.432 4.656 50 0 EJAARN CCSc1cccc(C(=O)Nc2ccc3nc(C)sc3c2)c1 ZINC000004585766 210228020 /nfs/dbraw/zinc/22/80/20/210228020.db2.gz QROZEDYVCZKVCG-UHFFFAOYSA-N 0 0 328.462 4.969 50 0 EJAARN CSc1ccc([C@@H]2SCC(=O)Nc3c2cnn3C(C)(C)C)cc1 ZINC000049549568 214017907 /nfs/dbraw/zinc/01/79/07/214017907.db2.gz XKALDIZNEUMBRW-HNNXBMFYSA-N 0 0 347.509 4.784 50 0 EJAARN CCCCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc21 ZINC000004589791 210227639 /nfs/dbraw/zinc/22/76/39/210227639.db2.gz OVGOZKIGWPZULS-UHFFFAOYSA-N 0 0 348.446 4.830 50 0 EJAARN O=C(Nc1cccc2c1CCCC2)c1cc(C(F)(F)F)ccc1F ZINC000098073311 219078742 /nfs/dbraw/zinc/07/87/42/219078742.db2.gz AILOLUFNPUSHBS-UHFFFAOYSA-N 0 0 337.316 4.976 50 0 EJAARN O=C(NC1(c2ccc(F)cc2)CCC1)c1ccccc1C(F)(F)F ZINC000060084674 214627506 /nfs/dbraw/zinc/62/75/06/214627506.db2.gz CPODYALDLFKCJS-UHFFFAOYSA-N 0 0 337.316 4.654 50 0 EJAARN Cc1ccc(-c2nnco2)cc1NC(=O)c1cccc(Cl)c1Cl ZINC000060371904 214635079 /nfs/dbraw/zinc/63/50/79/214635079.db2.gz QPNAOXQSCNIESQ-UHFFFAOYSA-N 0 0 348.189 4.604 50 0 EJAARN CCOc1ccccc1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[C@@H](C)C3 ZINC000004571623 210224320 /nfs/dbraw/zinc/22/43/20/210224320.db2.gz OJHIAYJMXSPZDW-DIFFPNOSSA-N 0 0 342.464 4.701 50 0 EJAARN Cc1ccccc1N(C)C(=O)c1cc2c(s1)c1ccccc1oc2=O ZINC000004563514 210221724 /nfs/dbraw/zinc/22/17/24/210221724.db2.gz WEXCYFZPSFXZPX-UHFFFAOYSA-N 0 0 349.411 4.593 50 0 EJAARN O=C(CCSc1ccc(Cl)cc1)NC12CC3CC(CC(C3)C1)C2 ZINC000004546451 210218893 /nfs/dbraw/zinc/21/88/93/210218893.db2.gz WSAXPNALGWKOLA-UHFFFAOYSA-N 0 0 349.927 4.907 50 0 EJAARN CC[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(OC)c2)N3)C1 ZINC000004545509 210219322 /nfs/dbraw/zinc/21/93/22/210219322.db2.gz GWIOFSINHGOLCE-APPDUMDISA-N 0 0 342.464 4.701 50 0 EJAARN CCc1cccc(C)c1NC(=O)COc1c(Cl)cccc1Cl ZINC000004542110 210217844 /nfs/dbraw/zinc/21/78/44/210217844.db2.gz YSLDQAHXMASWKY-UHFFFAOYSA-N 0 0 338.234 4.882 50 0 EJAARN Cc1cc(C)c(Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c(C)c1 ZINC000004543133 210217873 /nfs/dbraw/zinc/21/78/73/210217873.db2.gz GPUQARUAOJTVIV-UHFFFAOYSA-N 0 0 347.245 4.677 50 0 EJAARN CCc1ccc(NC(=O)c2sc3ncccc3c2-n2cccc2)cc1 ZINC000098212135 219087608 /nfs/dbraw/zinc/08/76/08/219087608.db2.gz MIETYZVKRGANRU-UHFFFAOYSA-N 0 0 347.443 4.902 50 0 EJAARN Cc1nc2ccc3nc(NC(=O)Nc4cccs4)sc3c2s1 ZINC000062017451 214692724 /nfs/dbraw/zinc/69/27/24/214692724.db2.gz RFWFNBVYEODLFP-UHFFFAOYSA-N 0 0 346.462 4.920 50 0 EJAARN COc1ccccc1C(c1ccccc1OC)c1ccccc1OC ZINC000004530462 210215033 /nfs/dbraw/zinc/21/50/33/210215033.db2.gz QORKUULVGQBXHD-UHFFFAOYSA-N 0 0 334.415 4.893 50 0 EJAARN CCn1c(-c2ccc(OC)c(F)c2)cs/c1=N/c1ccccc1 ZINC000100061704 219089963 /nfs/dbraw/zinc/08/99/63/219089963.db2.gz GOYJPZQMECJLBY-CZIZESTLSA-N 0 0 328.412 4.617 50 0 EJAARN Cc1cc2sc(NC(=O)CSc3ccccc3)nc2c(C)c1 ZINC000004496625 210203907 /nfs/dbraw/zinc/20/39/07/210203907.db2.gz IEOHVLROXPEONB-UHFFFAOYSA-N 0 0 328.462 4.644 50 0 EJAARN O=C(CSc1ccccc1)Nc1nc(-c2cccs2)cs1 ZINC000004496630 210203993 /nfs/dbraw/zinc/20/39/93/210203993.db2.gz CAKFTVOORWLNSM-UHFFFAOYSA-N 0 0 332.475 4.602 50 0 EJAARN Cc1cc2nc(NC(=O)CSc3ccc(F)cc3)sc2c(C)c1 ZINC000004496797 210203735 /nfs/dbraw/zinc/20/37/35/210203735.db2.gz FHOLMSWHVYOISH-UHFFFAOYSA-N 0 0 346.452 4.783 50 0 EJAARN CCSc1ccc(NC(=O)c2cc(Cl)sc2Cl)cn1 ZINC000049479694 214011424 /nfs/dbraw/zinc/01/14/24/214011424.db2.gz FNNUJOQFAFRFEU-UHFFFAOYSA-N 0 0 333.265 4.814 50 0 EJAARN COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3CC(C)C)c1 ZINC000100671282 219104161 /nfs/dbraw/zinc/10/41/61/219104161.db2.gz BDTPXVPXFDPGSX-TZIWHRDSSA-N 0 0 336.435 4.611 50 0 EJAARN COc1ccccc1C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000004425758 210190923 /nfs/dbraw/zinc/19/09/23/210190923.db2.gz WIYOBVYYYHFTTG-UHFFFAOYSA-N 0 0 331.415 4.538 50 0 EJAARN CCc1ccc(NC(=O)c2cncc(-c3ccc(OC)cc3)c2)cc1 ZINC000064568281 214793874 /nfs/dbraw/zinc/79/38/74/214793874.db2.gz PZFGLFBWXLBQOB-UHFFFAOYSA-N 0 0 332.403 4.572 50 0 EJAARN CC(C)c1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1 ZINC000064580996 214794494 /nfs/dbraw/zinc/79/44/94/214794494.db2.gz XBBMHEPGJLCVDT-UHFFFAOYSA-N 0 0 339.826 4.901 50 0 EJAARN Cc1ccccc1-c1csc2c1ncn(CCc1ccccc1)c2=O ZINC000064667584 214799322 /nfs/dbraw/zinc/79/93/22/214799322.db2.gz JTQMBGFAANMMLP-UHFFFAOYSA-N 0 0 346.455 4.676 50 0 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Cc1ccc(-c2csc3nc(Cc4ccccc4)oc(=O)c23)cc1 ZINC000000501828 209638124 /nfs/dbraw/zinc/63/81/24/209638124.db2.gz GZXAVXPFMGYSNZ-UHFFFAOYSA-N 0 0 333.412 4.816 50 0 EJAARN CC[C@@H](C)c1ccc(OCC(=O)NC2C3CC4CC(C3)CC2C4)cc1 ZINC000000505820 209639084 /nfs/dbraw/zinc/63/90/84/209639084.db2.gz AFLSQYIEDHCLIE-QRTQRDKQSA-N 0 0 341.495 4.520 50 0 EJAARN CSc1ccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1 ZINC000025072217 202125663 /nfs/dbraw/zinc/12/56/63/202125663.db2.gz YXTQQSIXGXEUEC-UHFFFAOYSA-N 0 0 343.839 4.704 50 0 EJAARN Cc1cn2nc(NCc3ccc(-c4ccc(Cl)cc4)o3)sc2n1 ZINC000026695102 202146685 /nfs/dbraw/zinc/14/66/85/202146685.db2.gz SNMONJPVVJUVAG-UHFFFAOYSA-N 0 0 344.827 4.625 50 0 EJAARN Cc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c1C ZINC000027795627 202160636 /nfs/dbraw/zinc/16/06/36/202160636.db2.gz DANCBVITGSQGHA-UHFFFAOYSA-N 0 0 326.783 4.864 50 0 EJAARN Cc1ccc(C(=O)N(Cc2cccc(Cl)c2)c2ccccn2)cc1 ZINC000027580178 202157336 /nfs/dbraw/zinc/15/73/36/202157336.db2.gz MMNVSZLELSQJEC-UHFFFAOYSA-N 0 0 336.822 4.890 50 0 EJAARN COc1ccc(C(=O)N(Cc2cccs2)c2ccc(F)cc2)cc1 ZINC000027581954 202157473 /nfs/dbraw/zinc/15/74/73/202157473.db2.gz NAIHMVLKTDSROJ-UHFFFAOYSA-N 0 0 341.407 4.743 50 0 EJAARN C[C@@H](NC(=O)Nc1ccc(OC(F)F)c(Cl)c1)c1cccs1 ZINC000040023909 202166735 /nfs/dbraw/zinc/16/67/35/202166735.db2.gz YLYKURXIVOXKOM-MRVPVSSYSA-N 0 0 346.786 4.886 50 0 EJAARN O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(F)cc1F ZINC000040107072 202169306 /nfs/dbraw/zinc/16/93/06/202169306.db2.gz HNOWFAGUGPFLHZ-UHFFFAOYSA-N 0 0 344.292 4.544 50 0 EJAARN Cc1cccc(OCCSc2n[nH]c(-c3ccc(Cl)cc3)n2)c1 ZINC000028807320 202176963 /nfs/dbraw/zinc/17/69/63/202176963.db2.gz DENDWIOJUUXFKI-UHFFFAOYSA-N 0 0 345.855 4.605 50 0 EJAARN FC(F)(F)c1nc2ccccc2n1Cc1ncc(-c2ccccc2)o1 ZINC000029300208 202184692 /nfs/dbraw/zinc/18/46/92/202184692.db2.gz VKTPVWPYSPRVLB-UHFFFAOYSA-N 0 0 343.308 4.758 50 0 EJAARN CC1(C)CN=C(N(Cc2ccccc2)C(=O)Nc2ccccc2)S1 ZINC000000497274 209635002 /nfs/dbraw/zinc/63/50/02/209635002.db2.gz CFYVRWGQGFBSSD-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/15/46/49/213154649.db2.gz HQXRSBQOYBUDHC-UHFFFAOYSA-N 0 0 346.883 4.790 50 0 EJAARN C/C=C/Cn1c(C(=O)NCc2cccc(C)c2)cc2sc(C)cc21 ZINC000037526499 213154334 /nfs/dbraw/zinc/15/43/34/213154334.db2.gz UQTIYHKWLGTCLQ-SNAWJCMRSA-N 0 0 338.476 4.826 50 0 EJAARN Cc1cc2c(cc(C(=O)NCC(C)C)n2Cc2ccccc2F)s1 ZINC000037526484 213154560 /nfs/dbraw/zinc/15/45/60/213154560.db2.gz CEPUXTPPRVMLQS-UHFFFAOYSA-N 0 0 344.455 4.584 50 0 EJAARN Cc1cccc(CNC(=O)c2cc3sccc3n2CC2CCC2)c1 ZINC000037525791 213153021 /nfs/dbraw/zinc/15/30/21/213153021.db2.gz LLZRACJQCQKEJS-UHFFFAOYSA-N 0 0 338.476 4.741 50 0 EJAARN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CCc1cccc(F)c1 ZINC000037164699 213134196 /nfs/dbraw/zinc/13/41/96/213134196.db2.gz VJEQWTFUFCYHPI-AWEZNQCLSA-N 0 0 325.383 4.724 50 0 EJAARN CCc1ccc(-c2nc(C(=O)N(C)Cc3ccc(C)o3)cs2)cc1 ZINC000037115213 213133093 /nfs/dbraw/zinc/13/30/93/213133093.db2.gz VDKFGWFCSJEVPB-UHFFFAOYSA-N 0 0 340.448 4.546 50 0 EJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C1CCCC1 ZINC000000484046 209629977 /nfs/dbraw/zinc/62/99/77/209629977.db2.gz WUBLHCNTBYDBCA-UHFFFAOYSA-N 0 0 343.448 4.721 50 0 EJAARN Cc1ccc(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000000471773 209621825 /nfs/dbraw/zinc/62/18/25/209621825.db2.gz KMIMLNGZKXNRRL-UHFFFAOYSA-N 0 0 327.733 4.848 50 0 EJAARN CSc1ccccc1NC(=O)[C@@H](C)N(C)Cc1cccc(Cl)c1 ZINC000036832565 213121136 /nfs/dbraw/zinc/12/11/36/213121136.db2.gz VDNKSSIMYLDZQL-CYBMUJFWSA-N 0 0 348.899 4.521 50 0 EJAARN Cc1ccc(N(Cc2ccco2)C(=O)c2ccc3ccccc3n2)cc1 ZINC000036776056 213118963 /nfs/dbraw/zinc/11/89/63/213118963.db2.gz WSFKQYPALIPQRW-UHFFFAOYSA-N 0 0 342.398 4.983 50 0 EJAARN C[C@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000000453096 209609923 /nfs/dbraw/zinc/60/99/23/209609923.db2.gz XCEIVIXFZHCMIZ-JTQLQIEISA-N 0 0 343.732 4.765 50 0 EJAARN COc1ccc(-c2cc(C(F)F)c3c(C)nn(C(C)C)c3n2)cc1 ZINC000036616296 213102672 /nfs/dbraw/zinc/10/26/72/213102672.db2.gz XRLCTBXMJMNJPO-UHFFFAOYSA-N 0 0 331.366 4.934 50 0 EJAARN CCc1cccc2c(C3=CCN(C(=O)c4ccccc4)CC3)c[nH]c21 ZINC000036395033 213096991 /nfs/dbraw/zinc/09/69/91/213096991.db2.gz XTEKJCXXEWNCLV-UHFFFAOYSA-N 0 0 330.431 4.660 50 0 EJAARN COc1ccccc1NC(=O)c1cc2occc2n1Cc1ccccc1 ZINC000036360515 213089498 /nfs/dbraw/zinc/08/94/98/213089498.db2.gz BLHPTUYMGJCICS-UHFFFAOYSA-N 0 0 346.386 4.544 50 0 EJAARN Fc1ccc(CN2CCCn3cccc3[C@@H]2c2ccccc2F)cc1 ZINC000036347828 213086299 /nfs/dbraw/zinc/08/62/99/213086299.db2.gz RKTNPYBOVKQLLR-NRFANRHFSA-N 0 0 338.401 4.762 50 0 EJAARN O=C1C[C@@H](c2ccc(F)c(F)c2)c2sc(N3CCCCC3)nc2N1 ZINC000036357592 213088638 /nfs/dbraw/zinc/08/86/38/213088638.db2.gz RPVPCUACIMZHKF-NSHDSACASA-N 0 0 349.406 4.535 50 0 EJAARN c1csc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccccc2)c1 ZINC000036352212 213087359 /nfs/dbraw/zinc/08/73/59/213087359.db2.gz PPEFRUATYSNLBV-XLIONFOSSA-N 0 0 332.428 4.990 50 0 EJAARN Cc1ccc(OCc2nc(Cc3ccc(Cl)cc3)no2)c(C)c1 ZINC000000445002 209604637 /nfs/dbraw/zinc/60/46/37/209604637.db2.gz VJAOOXXAFLZIFD-UHFFFAOYSA-N 0 0 328.799 4.510 50 0 EJAARN Cc1ccc(Nc2c(-c3ccc(O)cc3)nc3nc(C)cc(C)n32)cc1 ZINC000035606399 213041952 /nfs/dbraw/zinc/04/19/52/213041952.db2.gz RTFNIONAABGITE-UHFFFAOYSA-N 0 0 344.418 4.771 50 0 EJAARN CC(C)(C)c1ccc(OCc2nc(-c3ccc(F)cc3)no2)cc1 ZINC000035672114 213044780 /nfs/dbraw/zinc/04/47/80/213044780.db2.gz UAMJZSUAMZBYSQ-UHFFFAOYSA-N 0 0 326.371 4.752 50 0 EJAARN Cc1ccc([C@H]2CCCCCN2C(=O)NCCc2ccccc2)cc1 ZINC000035561772 213038980 /nfs/dbraw/zinc/03/89/80/213038980.db2.gz YDQOBBXXCUGPJZ-OAQYLSRUSA-N 0 0 336.479 4.864 50 0 EJAARN Cc1cccc(CSc2ncc(CO)n2[C@H](C)c2ccccc2)c1 ZINC000035500185 213032695 /nfs/dbraw/zinc/03/26/95/213032695.db2.gz VIFIPRMCFCQBDQ-MRXNPFEDSA-N 0 0 338.476 4.585 50 0 EJAARN Cc1onc(-c2ccc(F)cc2F)c1C(=O)Nc1ccc(Cl)cc1 ZINC000035536178 213036429 /nfs/dbraw/zinc/03/64/29/213036429.db2.gz WSDGEPGSPFUPHG-UHFFFAOYSA-N 0 0 348.736 4.834 50 0 EJAARN Cc1ccc(-c2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cn2)cc1 ZINC000035514805 213035379 /nfs/dbraw/zinc/03/53/79/213035379.db2.gz IGMRTRARTOBZEF-JOCHJYFZSA-N 0 0 342.442 4.864 50 0 EJAARN O=C(Nc1ccc2[nH]ccc2c1)c1cc(-n2cccc2)ccc1Cl ZINC000032102786 202221649 /nfs/dbraw/zinc/22/16/49/202221649.db2.gz AQNZDVNYCLOJCV-UHFFFAOYSA-N 0 0 335.794 4.864 50 0 EJAARN Cc1noc(C)c1CCC(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000032809456 202235564 /nfs/dbraw/zinc/23/55/64/202235564.db2.gz LUVRKIMMMHSEJY-UHFFFAOYSA-N 0 0 344.480 4.897 50 0 EJAARN O=C(/C=C\c1cccs1)Nc1ccc(OCc2ccccc2)cc1 ZINC000035394531 213024957 /nfs/dbraw/zinc/02/49/57/213024957.db2.gz ZSRJROJLYUACPK-SEYXRHQNSA-N 0 0 335.428 4.979 50 0 EJAARN CN(Cc1cc(-c2ccco2)on1)Cc1ccc(Cl)cc1Cl ZINC000032836146 202237633 /nfs/dbraw/zinc/23/76/33/202237633.db2.gz XHQRQMSFOMFVQM-UHFFFAOYSA-N 0 0 337.206 4.873 50 0 EJAARN c1coc(-c2nnc(SCCOc3ccc4ccccc4c3)o2)c1 ZINC000032827033 202237912 /nfs/dbraw/zinc/23/79/12/202237912.db2.gz AZKSHLJYYYWELL-UHFFFAOYSA-N 0 0 338.388 4.654 50 0 EJAARN Cc1ccsc1CN(C)C(=O)c1ccccc1C(=O)c1ccccc1 ZINC000032721338 202231046 /nfs/dbraw/zinc/23/10/46/202231046.db2.gz XDFFKYFLQRLIMS-UHFFFAOYSA-N 0 0 349.455 4.560 50 0 EJAARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)Nc1ccc(Cl)cc1 ZINC000032690862 202231209 /nfs/dbraw/zinc/23/12/09/202231209.db2.gz NAUNYHMPZOVZLL-ATVHPVEESA-N 0 0 326.827 4.590 50 0 EJAARN Cc1nc(CCNc2nc(-c3ccccc3)nc3ccccc32)cs1 ZINC000032905469 202240294 /nfs/dbraw/zinc/24/02/94/202240294.db2.gz ZINPBWGNGJHREW-UHFFFAOYSA-N 0 0 346.459 4.716 50 0 EJAARN Cc1ccc(-c2nc(CSc3nc4cc(C)ccc4[nH]3)no2)cc1 ZINC000032905988 202240825 /nfs/dbraw/zinc/24/08/25/202240825.db2.gz UHHHDEMHYJMLHF-UHFFFAOYSA-N 0 0 336.420 4.522 50 0 EJAARN CC(=O)c1cccc(NC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)c1 ZINC000032911644 202241444 /nfs/dbraw/zinc/24/14/44/202241444.db2.gz QPADZYNUTLWJQR-UHFFFAOYSA-N 0 0 347.201 4.930 50 0 EJAARN CSc1nnc(SCc2csc(-c3ccc(C)o3)n2)s1 ZINC000032922455 202242541 /nfs/dbraw/zinc/24/25/41/202242541.db2.gz IYBUOFXGSDCUJP-UHFFFAOYSA-N 0 0 341.508 4.577 50 0 EJAARN CCc1ccc(CNC(=O)c2cc(SC)ccc2Cl)s1 ZINC000032930293 202243069 /nfs/dbraw/zinc/24/30/69/202243069.db2.gz WITLPHQURNDHPG-UHFFFAOYSA-N 0 0 325.886 4.616 50 0 EJAARN Cc1ccc(-c2csc3ncnc(N4CCCSCC4)c23)cc1 ZINC000032935574 202244031 /nfs/dbraw/zinc/24/40/31/202244031.db2.gz FOENWUJAQMWIJG-UHFFFAOYSA-N 0 0 341.505 4.610 50 0 EJAARN Cc1c(C(=O)Nc2ccc(SC(F)F)cc2)cnn1C(C)(C)C ZINC000032932310 202244073 /nfs/dbraw/zinc/24/40/73/202244073.db2.gz UGUVUQWERZUXRV-UHFFFAOYSA-N 0 0 339.411 4.514 50 0 EJAARN Cc1nc(C)c(C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)s1 ZINC000032969236 202244761 /nfs/dbraw/zinc/24/47/61/202244761.db2.gz GVYROFDTTVYBKA-ZETCQYMHSA-N 0 0 329.252 4.558 50 0 EJAARN CCc1nc(-c2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2)no1 ZINC000033254202 202252759 /nfs/dbraw/zinc/25/27/59/202252759.db2.gz MQBJQOJMEKEIKR-UHFFFAOYSA-N 0 0 341.798 4.513 50 0 EJAARN O=C1C(=Cc2cccc(Cl)c2Cl)NC(=S)N1c1ccccc1 ZINC000034927058 213001316 /nfs/dbraw/zinc/00/13/16/213001316.db2.gz CYWJPGHLXFJPMQ-UKTHLTGXSA-N 0 0 349.242 4.667 50 0 EJAARN Cc1oc(-c2ccc(Cl)cc2)nc1COc1ccccc1C=O ZINC000034927056 213000960 /nfs/dbraw/zinc/00/09/60/213000960.db2.gz WJHMYKLBOWCSOJ-UHFFFAOYSA-N 0 0 327.767 4.695 50 0 EJAARN Cc1[nH]nc(-c2ccc(C(C)(C)C)cc2)c1NC(=O)C1CCCC1 ZINC000034795724 212989252 /nfs/dbraw/zinc/98/92/52/212989252.db2.gz LNNHKCXVXFOXCC-UHFFFAOYSA-N 0 0 325.456 4.811 50 0 EJAARN CCCNC(=O)c1cc2sc(C)cc2n1[C@@H](C)c1ccccc1 ZINC000034680261 212982825 /nfs/dbraw/zinc/98/28/25/212982825.db2.gz DPLDLOOHKJFCLT-AWEZNQCLSA-N 0 0 326.465 4.760 50 0 EJAARN Cc1cc2ccccc2n1CCNC(=O)c1ccc2ccccc2c1 ZINC000000427904 209591890 /nfs/dbraw/zinc/59/18/90/209591890.db2.gz KULDISAOAQNODI-UHFFFAOYSA-N 0 0 328.415 4.533 50 0 EJAARN Cc1ccccc1-c1nnc(-c2ccc(C(=O)OC[C@H]3C[C@@H]3C)cc2)o1 ZINC000071827952 215857847 /nfs/dbraw/zinc/85/78/47/215857847.db2.gz XTDBJNVREHZWHC-WMLDXEAASA-N 0 0 348.402 4.525 50 0 EJAARN C/C=C\c1c(F)c(F)c(Oc2ccccc2C(=O)OC)c(F)c1F ZINC000033316600 212924355 /nfs/dbraw/zinc/92/43/55/212924355.db2.gz FVBZIVZDJCRLAS-UTCJRWHESA-N 0 0 340.272 4.855 50 0 EJAARN O=C1S/C(=C/C=C/c2ccco2)C(=O)N1CCCc1ccccc1 ZINC000033309175 212920655 /nfs/dbraw/zinc/92/06/55/212920655.db2.gz GBKCCJCNOXAUPP-CBMQSZMYSA-N 0 0 339.416 4.505 50 0 EJAARN COc1cccc(C(=O)Nc2cc(-c3nc(C)cs3)sc2C)c1 ZINC000033308470 212920179 /nfs/dbraw/zinc/92/01/79/212920179.db2.gz VDIFRSQBYOITOX-UHFFFAOYSA-N 0 0 344.461 4.749 50 0 EJAARN Cc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3ccccc23)cc1 ZINC000033300663 212919595 /nfs/dbraw/zinc/91/95/95/212919595.db2.gz RBIXWHASQNCEFI-UHFFFAOYSA-N 0 0 345.377 4.725 50 0 EJAARN O=C(Nc1cccc(Cl)c1)c1cc(-c2cccc(Cl)c2)on1 ZINC000000425659 209588046 /nfs/dbraw/zinc/58/80/46/209588046.db2.gz OWGRURQLIRLVNB-UHFFFAOYSA-N 0 0 333.174 4.901 50 0 EJAARN O=C(Nc1ccccc1Cl)c1ccc(-c2noc(C3CC3)n2)cc1 ZINC000033254328 212910990 /nfs/dbraw/zinc/91/09/90/212910990.db2.gz KACGJVUREBWTHN-UHFFFAOYSA-N 0 0 339.782 4.520 50 0 EJAARN CC(C)(C)c1ccc([C@H]2SCC(=O)N2c2ccccc2F)cc1 ZINC000000424023 209587237 /nfs/dbraw/zinc/58/72/37/209587237.db2.gz QNUBROFUINVUMK-GOSISDBHSA-N 0 0 329.440 4.902 50 0 EJAARN 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/nfs/dbraw/zinc/01/35/51/216013551.db2.gz QEQINRBPHXJUHO-UHFFFAOYSA-N 0 0 349.482 4.620 50 0 EJAARN CSc1ccc(NC(=O)N(C)[C@H](C)c2nc(C)sc2C)cc1 ZINC000072144543 216030407 /nfs/dbraw/zinc/03/04/07/216030407.db2.gz XSBOGRAEWIFYEH-SNVBAGLBSA-N 0 0 335.498 4.707 50 0 EJAARN CC(=O)c1sccc1-c1cc(NC2CCCC2)nc2[nH]ccc21 ZINC000072144164 216030670 /nfs/dbraw/zinc/03/06/70/216030670.db2.gz PKIDXEAIVYAJCD-UHFFFAOYSA-N 0 0 325.437 4.849 50 0 EJAARN O=C(Nc1nc(C2CC2)cs1)c1ccccc1SC(F)(F)F ZINC000031917928 212759041 /nfs/dbraw/zinc/75/90/41/212759041.db2.gz VKHCQWDNPMWXKM-UHFFFAOYSA-N 0 0 344.383 4.885 50 0 EJAARN CC(=O)c1ccc(-c2cc(NCc3ccccn3)nc3[nH]ccc32)s1 ZINC000072149026 216036921 /nfs/dbraw/zinc/03/69/21/216036921.db2.gz UIZSJCYRZZGELQ-UHFFFAOYSA-N 0 0 348.431 4.501 50 0 EJAARN Cc1cc(-c2cc(NCc3cccnc3)nc3[nH]ccc32)nc(C)c1C ZINC000072165337 216054444 /nfs/dbraw/zinc/05/44/44/216054444.db2.gz RULYIXVOKDDSQA-UHFFFAOYSA-N 0 0 343.434 4.557 50 0 EJAARN CN(Cc1ccco1)[C@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1 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CC(=O)c1cccc(NC(=O)[C@H](C)SC/C=C/c2ccccc2)c1 ZINC000036394219 202324821 /nfs/dbraw/zinc/32/48/21/202324821.db2.gz LCKOKKATRFZDAD-JCVNQNCUSA-N 0 0 339.460 4.663 50 0 EJAARN CCOCCCNc1nc(-c2ccc(Cl)cc2)cc(C(F)F)n1 ZINC000036614198 202325591 /nfs/dbraw/zinc/32/55/91/202325591.db2.gz YLEPMMSGAJNVPG-UHFFFAOYSA-N 0 0 341.789 4.573 50 0 EJAARN Cc1cc(C(=O)Nc2ccc(F)cc2)c2c(n1)onc2-c1ccccc1 ZINC000036617334 202326949 /nfs/dbraw/zinc/32/69/49/202326949.db2.gz JDKVMAYQMOWXRK-UHFFFAOYSA-N 0 0 347.349 4.590 50 0 EJAARN COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000036620361 202327332 /nfs/dbraw/zinc/32/73/32/202327332.db2.gz FUMARGVNVUTPNI-QGZVFWFLSA-N 0 0 348.805 4.857 50 0 EJAARN O=C(Nc1nc(-c2cccs2)cs1)c1cc2c(s1)CCC2 ZINC000072257286 216084894 /nfs/dbraw/zinc/08/48/94/216084894.db2.gz IZUSEJILWVXNEU-UHFFFAOYSA-N 0 0 332.475 4.674 50 0 EJAARN Cc1cccc(CNC(=O)c2cc3sccc3n2CC(C)C)c1 ZINC000037526459 202345740 /nfs/dbraw/zinc/34/57/40/202345740.db2.gz YGVMJOFKZGSPIC-UHFFFAOYSA-N 0 0 326.465 4.597 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LSQKPTPCUVQGRR-UHFFFAOYSA-N 0 0 330.598 4.908 50 0 EJAARN O=C1CCCN1CCc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000030447691 212698067 /nfs/dbraw/zinc/69/80/67/212698067.db2.gz VTQSXWRXBRVHBK-UHFFFAOYSA-N 0 0 348.471 4.642 50 0 EJAARN C[C@H]1CC(C)(C)N(c2ccccc2)N1C(=S)Nc1ccccc1 ZINC000000286506 209518356 /nfs/dbraw/zinc/51/83/56/209518356.db2.gz FCKYAMQWYNGAHV-HNNXBMFYSA-N 0 0 325.481 4.678 50 0 EJAARN COc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000000276710 209514726 /nfs/dbraw/zinc/51/47/26/209514726.db2.gz MMSVSEZDOKFRRK-UHFFFAOYSA-N 0 0 327.767 4.861 50 0 EJAARN COc1cccc(NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c1 ZINC000000273901 209514456 /nfs/dbraw/zinc/51/44/56/209514456.db2.gz ZQIRYZWGAOYFIG-OAQYLSRUSA-N 0 0 343.426 4.640 50 0 EJAARN COc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000000272724 209513611 /nfs/dbraw/zinc/51/36/11/209513611.db2.gz LFZFBMJOSQLOKG-UHFFFAOYSA-N 0 0 330.598 4.908 50 0 EJAARN CCC[C@@H]1C[C@@](C)(c2csc(Nc3ccccc3C)n2)OC1=O ZINC000000289428 209520051 /nfs/dbraw/zinc/52/00/51/209520051.db2.gz PGNDOLKJNWJKDP-ACJLOTCBSA-N 0 0 330.453 4.774 50 0 EJAARN CC[C@H](C)NC(=O)c1ccc(CSCc2ccc(Cl)cc2)o1 ZINC000000261438 209507915 /nfs/dbraw/zinc/50/79/15/209507915.db2.gz DPHPSUIKXLKJBO-LBPRGKRZSA-N 0 0 337.872 4.895 50 0 EJAARN Cc1cccc(/C=C(/C(=O)N2CCC[C@H](C)C2)c2cccs2)c1 ZINC000029510807 212671263 /nfs/dbraw/zinc/67/12/63/212671263.db2.gz DMWBNIKJSBSASB-HZGBGQKMSA-N 0 0 325.477 4.856 50 0 EJAARN Cc1c(C(=O)Nc2ccc(C)c(Cl)c2)cnn1-c1ccc(C)cc1 ZINC000029509061 212669891 /nfs/dbraw/zinc/66/98/91/212669891.db2.gz ISBBWRVTKGCPGN-UHFFFAOYSA-N 0 0 339.826 4.703 50 0 EJAARN CCN(CC)c1ccc(NC(=O)c2c(C)onc2-c2ccccc2)cc1 ZINC000000205125 209483023 /nfs/dbraw/zinc/48/30/23/209483023.db2.gz UDDOZWWBHVIGDS-UHFFFAOYSA-N 0 0 349.434 4.749 50 0 EJAARN O=C(c1cccnc1Cl)N(Cc1ccccc1)Cc1ccccc1 ZINC000000213863 209487812 /nfs/dbraw/zinc/48/78/12/209487812.db2.gz JXARSXXVYNGRNX-UHFFFAOYSA-N 0 0 336.822 4.578 50 0 EJAARN C[C@H]1CCCN(C(=O)[C@@H](Sc2ccccc2)c2ccccc2)C1 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O=C1Nc2ccccc2Oc2cc(Oc3ccc4c(c3)OCO4)ccc21 ZINC000004743919 201614947 /nfs/dbraw/zinc/61/49/47/201614947.db2.gz GHKDWAROUPIFOA-UHFFFAOYSA-N 0 0 347.326 4.566 50 0 EJAARN Cc1ccc([C@H](CC(=O)Nc2ccc(F)cc2C)n2cccc2)cc1 ZINC000020997961 212198419 /nfs/dbraw/zinc/19/84/19/212198419.db2.gz NAMBTHAVNVTXGQ-FQEVSTJZSA-N 0 0 336.410 4.862 50 0 EJAARN O=C(C[C@@H](c1cccc(F)c1)n1cccc1)Nc1ccc(F)c(F)c1 ZINC000020998213 212197889 /nfs/dbraw/zinc/19/78/89/212197889.db2.gz MKLKAPYWKVIZHS-SFHVURJKSA-N 0 0 344.336 4.524 50 0 EJAARN CCc1ccc(NC(=O)C[C@H](c2ccc(OC)cc2)n2cccc2)cc1 ZINC000020997488 212196746 /nfs/dbraw/zinc/19/67/46/212196746.db2.gz CKOXABITIXKRKM-OAQYLSRUSA-N 0 0 348.446 4.677 50 0 EJAARN CCc1ccc(NC(=O)C[C@H](c2ccc(C)cc2)n2cccc2)cc1 ZINC000020997858 212196782 /nfs/dbraw/zinc/19/67/82/212196782.db2.gz CNUNFUYRODNQAP-OAQYLSRUSA-N 0 0 332.447 4.977 50 0 EJAARN Cc1ccc(C)c(NC(=O)C[C@H](c2ccc(F)cc2)n2cccc2)c1 ZINC000020997735 212196545 /nfs/dbraw/zinc/19/65/45/212196545.db2.gz QIFBEJQRKDFUFY-HXUWFJFHSA-N 0 0 336.410 4.862 50 0 EJAARN O=C(C[C@@H](c1cccs1)n1cccc1)Nc1ccc(Cl)cc1 ZINC000020996993 212196588 /nfs/dbraw/zinc/19/65/88/212196588.db2.gz ZYJPSFLLEXJTJG-HNNXBMFYSA-N 0 0 330.840 4.821 50 0 EJAARN CC(C)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 ZINC000004835778 201621097 /nfs/dbraw/zinc/62/10/97/201621097.db2.gz KWIXCUFRBHIVPL-UHFFFAOYSA-N 0 0 344.871 4.731 50 0 EJAARN Cc1ccc(CNc2c(-c3cccc(Cl)c3)nc3ncccn32)cc1 ZINC000020996896 212196386 /nfs/dbraw/zinc/19/63/86/212196386.db2.gz XTYWQHSPMPWRNC-UHFFFAOYSA-N 0 0 348.837 4.970 50 0 EJAARN Cc1nc([C@H](C)N(C)Cc2nc(-c3ccsc3)oc2C)c(C)s1 ZINC000020997284 212195979 /nfs/dbraw/zinc/19/59/79/212195979.db2.gz KDUOHGPTWZXGJI-JTQLQIEISA-N 0 0 347.509 4.978 50 0 EJAARN Cc1c(Cl)cccc1N[C@H]1c2ccccc2C(=O)N1c1cccnc1 ZINC000004918098 201627253 /nfs/dbraw/zinc/62/72/53/201627253.db2.gz VOJFLDUUUAWCFQ-LJQANCHMSA-N 0 0 349.821 4.815 50 0 EJAARN CCCCC[C@H](C)NC(=O)c1cccc(OCc2c(C)noc2C)c1 ZINC000020935775 212191637 /nfs/dbraw/zinc/19/16/37/212191637.db2.gz OQUVFHPKZACGES-AWEZNQCLSA-N 0 0 344.455 4.569 50 0 EJAARN COc1ccc(C(C)=O)cc1CSc1nc2cc(C)c(C)cc2[nH]1 ZINC000004985908 201631035 /nfs/dbraw/zinc/63/10/35/201631035.db2.gz OKKRHZPQOLAFSG-UHFFFAOYSA-N 0 0 340.448 4.683 50 0 EJAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)NC(C)C)cc1 ZINC000020938808 212191301 /nfs/dbraw/zinc/19/13/01/212191301.db2.gz KICXYEWHRBBRQN-NRFANRHFSA-N 0 0 347.462 4.542 50 0 EJAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)NC(C)C)cc1 ZINC000020938812 212191354 /nfs/dbraw/zinc/19/13/54/212191354.db2.gz KICXYEWHRBBRQN-OAQYLSRUSA-N 0 0 347.462 4.542 50 0 EJAARN CC(C)(C)c1cc(Cl)ccc1OCCCSc1ncccn1 ZINC000005013542 201633352 /nfs/dbraw/zinc/63/33/52/201633352.db2.gz UUZMGQFMXCQBNN-UHFFFAOYSA-N 0 0 336.888 4.989 50 0 EJAARN C[C@@H]1CCc2sc3[nH]c(=S)n(-c4ccccc4)c(=O)c3c2C1 ZINC000239212573 242950938 /nfs/dbraw/zinc/95/09/38/242950938.db2.gz SYPKRKMIFJVVBB-SNVBAGLBSA-N 0 0 328.462 4.647 50 0 EJAARN Cc1nc([C@@H]2CCCN2C(=O)Nc2nc(C3CCC3)cs2)cs1 ZINC000239591428 242956440 /nfs/dbraw/zinc/95/64/40/242956440.db2.gz BBJJWHCKYMKHLX-AWEZNQCLSA-N 0 0 348.497 4.545 50 0 EJAARN CC[C@H](C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1 ZINC000005399772 201649786 /nfs/dbraw/zinc/64/97/86/201649786.db2.gz DRMFFRTYKMCYRX-AWEZNQCLSA-N 0 0 342.464 4.911 50 0 EJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)c1ccccc1 ZINC000020890226 212181678 /nfs/dbraw/zinc/18/16/78/212181678.db2.gz ROXJLGLWNRDQCK-UHFFFAOYSA-N 0 0 344.773 4.719 50 0 EJAARN Cc1ccsc1[C@@H](Cc1ccccc1)N[C@@H](C)c1nnc(C)s1 ZINC000242273598 243014806 /nfs/dbraw/zinc/01/48/06/243014806.db2.gz YEGCRZSMWKBBTC-XJKSGUPXSA-N 0 0 343.521 4.851 50 0 EJAARN C[C@@H](Oc1ccc(Cl)c(Cl)c1)c1ncc(Br)cn1 ZINC000242287980 243015835 /nfs/dbraw/zinc/01/58/35/243015835.db2.gz YKABLIWXBDDNGD-SSDOTTSWSA-N 0 0 348.027 4.686 50 0 EJAARN CCOc1ccc(C2=C(C)SC3=NNC(c4ccccc4)=CN32)cc1 ZINC000005718698 201660323 /nfs/dbraw/zinc/66/03/23/201660323.db2.gz BJLBNTBOXBBEKK-UHFFFAOYSA-N 0 0 349.459 4.695 50 0 EJAARN CC(=O)c1cnc(SCc2c(Cl)cccc2Cl)nc1C ZINC000005749289 201661671 /nfs/dbraw/zinc/66/16/71/201661671.db2.gz YDJPZWFSOWJVEV-UHFFFAOYSA-N 0 0 327.236 4.587 50 0 EJAARN CCC[C@H]1c2ccc(C)n2CCN1C(=O)Nc1ccc(Cl)cc1 ZINC000020900209 212184816 /nfs/dbraw/zinc/18/48/16/212184816.db2.gz YZSUHHNWKOMDQM-INIZCTEOSA-N 0 0 331.847 4.839 50 0 EJAARN CCC[C@H]1c2ccc(C)n2CCN1C(=O)Nc1cccc(C)c1C ZINC000020900177 212184512 /nfs/dbraw/zinc/18/45/12/212184512.db2.gz WMMKTWMRUOYYEU-SFHVURJKSA-N 0 0 325.456 4.802 50 0 EJAARN CC[C@@H]1c2ccc(C)n2CCN1C(=O)Nc1cc(Cl)ccc1C ZINC000020900311 212184175 /nfs/dbraw/zinc/18/41/75/212184175.db2.gz NYPMMDSTPAYIMK-MRXNPFEDSA-N 0 0 331.847 4.757 50 0 EJAARN Cc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)cc1 ZINC000020897370 212182756 /nfs/dbraw/zinc/18/27/56/212182756.db2.gz UDCNTNGBVRFBOZ-AWEZNQCLSA-N 0 0 328.481 4.855 50 0 EJAARN O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(F)c(F)c1F ZINC000006376340 201679255 /nfs/dbraw/zinc/67/92/55/201679255.db2.gz NQQRRKHYESPKNE-UHFFFAOYSA-N 0 0 341.332 4.952 50 0 EJAARN C[C@H](Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1cc(F)cc(F)c1 ZINC000242389504 243019300 /nfs/dbraw/zinc/01/93/00/243019300.db2.gz ZXSVJCXXEVBMIH-QTJFZDIUSA-N 0 0 347.405 4.820 50 0 EJAARN COc1ccc(CNc2ccnc3cc(Br)ccc32)cc1 ZINC000242750297 243022732 /nfs/dbraw/zinc/02/27/32/243022732.db2.gz ZKNLTOUJRWSDFE-UHFFFAOYSA-N 0 0 343.224 4.618 50 0 EJAARN C[C@@H]1CCCC[C@H]1NC(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000020860773 212177410 /nfs/dbraw/zinc/17/74/10/212177410.db2.gz CEAUEKYXHRGWIF-IUODEOHRSA-N 0 0 327.449 4.616 50 0 EJAARN Cc1cccc(Nc2cc(C(=O)N3CCCC3)nc3ccc(C)cc32)c1 ZINC000064568386 202814876 /nfs/dbraw/zinc/81/48/76/202814876.db2.gz UHKRNRMVJKQECX-UHFFFAOYSA-N 0 0 345.446 4.831 50 0 EJAARN COc1cccc(-c2nc(-c3ccc(-c4csc(C)n4)cc3)no2)c1 ZINC000064669060 202815882 /nfs/dbraw/zinc/81/58/82/202815882.db2.gz JUSLTIMEIUUPCZ-UHFFFAOYSA-N 0 0 349.415 4.844 50 0 EJAARN Cc1cccc(Nc2nc3cc(C)c(C)cc3nc2C(=O)OC(C)C)c1 ZINC000064690584 202816401 /nfs/dbraw/zinc/81/64/01/202816401.db2.gz CASHKGNRMJRYJV-UHFFFAOYSA-N 0 0 349.434 4.864 50 0 EJAARN COc1c2cc(F)ccc2sc1C(=O)NCc1cccc(Cl)c1 ZINC000064756472 202816805 /nfs/dbraw/zinc/81/68/05/202816805.db2.gz VTESEMKXKBIITN-UHFFFAOYSA-N 0 0 349.814 4.632 50 0 EJAARN Cc1nc([C@H](C)n2cnc(-c3ccccc3)c2-c2ccncc2)cs1 ZINC000065383337 202841382 /nfs/dbraw/zinc/84/13/82/202841382.db2.gz AQZLFIIQYFNRFD-AWEZNQCLSA-N 0 0 346.459 4.986 50 0 EJAARN COc1ccc(-n2nc(C3CC3)c3c2nc(C)cc3C(F)(F)F)cc1 ZINC000020615451 212156350 /nfs/dbraw/zinc/15/63/50/212156350.db2.gz GCKRVILCCKPMFE-UHFFFAOYSA-N 0 0 347.340 4.634 50 0 EJAARN Fc1ccccc1-n1ncc2c1nc(-c1ccco1)cc2C(F)F ZINC000020615068 212156068 /nfs/dbraw/zinc/15/60/68/212156068.db2.gz LEFCCNRPILFJSX-UHFFFAOYSA-N 0 0 329.281 4.757 50 0 EJAARN CCc1ccc(-c2cc(C(F)(F)F)n3ncc(Cl)c3n2)cc1 ZINC000020616541 212156125 /nfs/dbraw/zinc/15/61/25/212156125.db2.gz FTIGLAJJOKMDRT-UHFFFAOYSA-N 0 0 325.721 4.631 50 0 EJAARN Cc1c(C)c(=O)oc2c(C)c3c(cc12)CN([C@@H](C)c1ccccc1)CO3 ZINC000020609872 212155394 /nfs/dbraw/zinc/15/53/94/212155394.db2.gz NOWIEVGAHHVHMC-INIZCTEOSA-N 0 0 349.430 4.631 50 0 biogenic EJAARN CCCn1nc(C)c2c1nc(-c1cccc(OC)c1)cc2C(F)(F)F ZINC000020605145 212152904 /nfs/dbraw/zinc/15/29/04/212152904.db2.gz ISECZPLUUOGBBR-UHFFFAOYSA-N 0 0 349.356 4.844 50 0 EJAARN C[C@H]1CCCC[C@@H]1Nc1ncnc2onc(-c3ccc(Cl)cc3)c21 ZINC000020575081 212149287 /nfs/dbraw/zinc/14/92/87/212149287.db2.gz JVNHZYPRXZKLQW-FZMZJTMJSA-N 0 0 342.830 4.929 50 0 EJAARN CCN(C(=O)c1cc2ccc3cccnc3c2[nH]1)c1ccccc1C ZINC000020575445 212148903 /nfs/dbraw/zinc/14/89/03/212148903.db2.gz MSZNERONTZQJEP-UHFFFAOYSA-N 0 0 329.403 4.691 50 0 EJAARN CCc1nnc2c(Nc3cccc4ccccc43)nc3ccccc3n12 ZINC000020565304 212148239 /nfs/dbraw/zinc/14/82/39/212148239.db2.gz DDMXEDUTLFVXLC-UHFFFAOYSA-N 0 0 339.402 4.737 50 0 EJAARN C[C@H](CNC(=O)C1(c2ccc(Cl)cc2)CCC1)c1ccccc1 ZINC000069295579 202985590 /nfs/dbraw/zinc/98/55/90/202985590.db2.gz ZBAFJIPZLPLIJS-OAHLLOKOSA-N 0 0 327.855 4.682 50 0 EJAARN Cc1ccc(C[S@](=O)Cc2coc(-c3ccccc3Cl)n2)cc1 ZINC000069925424 203063603 /nfs/dbraw/zinc/06/36/03/203063603.db2.gz PKAUZGFENQURCG-HSZRJFAPSA-N 0 0 345.851 4.752 50 0 EJAARN O=C1CS[C@@H](c2cccc(Br)c2)c2sccc2N1 ZINC000071279867 203088857 /nfs/dbraw/zinc/08/88/57/203088857.db2.gz QIUZPPNXJXEOIU-LBPRGKRZSA-N 0 0 340.267 4.935 50 0 EJAARN CC(C)c1cc(Cn2ccnc2-c2ccc([C@@H]3CCCCO3)o2)on1 ZINC000071388800 203093459 /nfs/dbraw/zinc/09/34/59/203093459.db2.gz KUZPIMADZFQIKD-INIZCTEOSA-N 0 0 341.411 4.544 50 0 EJAARN Cc1ccc(C)c(OCCCC(C)(C)C(=O)OCc2cccnc2)c1 ZINC000071769199 203111807 /nfs/dbraw/zinc/11/18/07/203111807.db2.gz AADRDJJUVMOCEP-UHFFFAOYSA-N 0 0 341.451 4.627 50 0 EJAARN O=C(NC(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000071769576 203111860 /nfs/dbraw/zinc/11/18/60/203111860.db2.gz PWHFIZFIFPLEOA-UHFFFAOYSA-N 0 0 343.597 4.609 50 0 EJAARN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(F)cc(F)c1 ZINC000071844337 203126767 /nfs/dbraw/zinc/12/67/67/203126767.db2.gz XKTUJWNLQILUCO-RBUKOAKNSA-N 0 0 329.390 4.763 50 0 EJAARN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(F)cc(F)c1 ZINC000071844338 203127410 /nfs/dbraw/zinc/12/74/10/203127410.db2.gz XKTUJWNLQILUCO-RTBURBONSA-N 0 0 329.390 4.763 50 0 EJAARN CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)Cc1c(F)cccc1Cl ZINC000020337787 212120875 /nfs/dbraw/zinc/12/08/75/212120875.db2.gz LSVPVYMPCCZPIV-BBRMVZONSA-N 0 0 325.855 4.743 50 0 EJAARN CCOc1cccc(-c2nc3c(c(=S)[nH]2)Cc2ccccc2O3)c1 ZINC000020380272 212124406 /nfs/dbraw/zinc/12/44/06/212124406.db2.gz INSMFJRRRWMHCB-UHFFFAOYSA-N 0 0 336.416 4.528 50 0 EJAARN COc1cc(C=O)cc(Cl)c1OCc1ccc(F)cc1Cl ZINC000020376909 212123786 /nfs/dbraw/zinc/12/37/86/212123786.db2.gz KIQAFZZCSGTBPW-UHFFFAOYSA-N 0 0 329.154 4.533 50 0 EJAARN O=C(c1cc2cc(Br)ccc2o1)c1cc(F)ccc1F ZINC000020362308 212122657 /nfs/dbraw/zinc/12/26/57/212122657.db2.gz VLQFXDUQRJXWJF-UHFFFAOYSA-N 0 0 337.119 4.705 50 0 EJAARN C[C@@H]1CCCC[C@@H]1OCc1nc2ccc(-c3ccccc3)cc2c(=O)[nH]1 ZINC000072051950 203159092 /nfs/dbraw/zinc/15/90/92/203159092.db2.gz JGVIGPQZUQUVSB-QRWLVFNGSA-N 0 0 348.446 4.685 50 0 EJAARN CC(C)c1cccc(-c2cc(NCc3ccccn3)nc3[nH]ccc32)n1 ZINC000072150645 203173718 /nfs/dbraw/zinc/17/37/18/203173718.db2.gz NFXIXRIOIGRQKX-UHFFFAOYSA-N 0 0 343.434 4.755 50 0 EJAARN O=C(Nc1ccccc1F)c1ccc(-c2nc3ccccc3o2)cc1 ZINC000072193648 203183501 /nfs/dbraw/zinc/18/35/01/203183501.db2.gz VAOBIVZBRXEIST-UHFFFAOYSA-N 0 0 332.334 4.886 50 0 EJAARN Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc2c(c1)OCCO2 ZINC000072324505 203201018 /nfs/dbraw/zinc/20/10/18/203201018.db2.gz DMCAJZQNVLIWJQ-UHFFFAOYSA-N 0 0 348.354 4.594 50 0 biogenic EJAARN O=C(Nc1ccc(Oc2cccc3[nH]ccc32)nc1)c1ccccc1 ZINC000072403120 203214469 /nfs/dbraw/zinc/21/44/69/203214469.db2.gz HPDZPFSXNPJHBB-UHFFFAOYSA-N 0 0 329.359 4.608 50 0 EJAARN Cc1ccc(NC(=O)Nc2ccc(Nc3ccc(C)nn3)cc2)c(C)c1 ZINC000072436851 203224314 /nfs/dbraw/zinc/22/43/14/203224314.db2.gz UAKPCGKCBFVYMM-UHFFFAOYSA-N 0 0 347.422 4.789 50 0 EJAARN COc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1Cl ZINC000020096533 212100104 /nfs/dbraw/zinc/10/01/04/212100104.db2.gz DCCVLSNKHBWBKY-UHFFFAOYSA-N 0 0 329.827 4.799 50 0 EJAARN CCC(CC)C(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1 ZINC000019815968 212072379 /nfs/dbraw/zinc/07/23/79/212072379.db2.gz KDYFCSCQTJXQLI-QGZVFWFLSA-N 0 0 326.465 4.862 50 0 EJAARN Cc1cc(Nc2ccc(Cl)cc2C)c2cc(C(=O)[O-])ccc2[nH+]1 ZINC000019793902 212068880 /nfs/dbraw/zinc/06/88/80/212068880.db2.gz YMZRZZLNRCKKOW-UHFFFAOYSA-N 0 0 326.783 4.947 50 0 EJAARN Cc1ncc(CN2CCC[C@@H](C(=O)c3ccc(Cl)cc3C)C2)s1 ZINC000019789067 212066527 /nfs/dbraw/zinc/06/65/27/212066527.db2.gz DWZHFTRFAMOPHE-CQSZACIVSA-N 0 0 348.899 4.508 50 0 EJAARN CC[C@H](C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(Cl)c(N)c1 ZINC000019736699 212059096 /nfs/dbraw/zinc/05/90/96/212059096.db2.gz MYFXIFSWODZJOP-QWHCGFSZSA-N 0 0 346.858 4.842 50 0 EJAARN CC(C)=CCC[C@@]1(C)CCC(=O)N(Cc2cc(-c3ccco3)on2)C1 ZINC000091725005 203648619 /nfs/dbraw/zinc/64/86/19/203648619.db2.gz MIDRVOBLLIWJHY-FQEVSTJZSA-N 0 0 342.439 4.810 50 0 EJAARN CC(C)C[C@H](O)C1CCN(c2ccc3cc(Cl)ccc3n2)CC1 ZINC000095519071 203755248 /nfs/dbraw/zinc/75/52/48/203755248.db2.gz CAIXMKAWAQBHAE-SFHVURJKSA-N 0 0 332.875 4.512 50 0 EJAARN CCC[C@H](C)N(C)C(=O)Nc1cc(C(F)(F)F)ccc1OCC ZINC000097160073 203930085 /nfs/dbraw/zinc/93/00/85/203930085.db2.gz MQDJUEUXLKLWLN-NSHDSACASA-N 0 0 332.366 4.756 50 0 EJAARN Clc1cccc([C@H]2CC(c3cccs3)=Nc3ncnn32)c1Cl ZINC000100752775 203997369 /nfs/dbraw/zinc/99/73/69/203997369.db2.gz XCOGLSUNDLPHDZ-GFCCVEGCSA-N 0 0 349.246 4.702 50 0 EJAARN Clc1cccc([C@H]2CC(c3ccccc3)=Nc3ncnn32)c1Cl ZINC000101171722 204002164 /nfs/dbraw/zinc/00/21/64/204002164.db2.gz GMFUPBWLQNEHDJ-OAHLLOKOSA-N 0 0 343.217 4.641 50 0 EJAARN Cc1ccc(C2=Nc3ncnn3[C@@H](c3cccc(Cl)c3)C2)cc1C ZINC000102047870 204030179 /nfs/dbraw/zinc/03/01/79/204030179.db2.gz XBCIYAWXZBYXSS-GOSISDBHSA-N 0 0 336.826 4.604 50 0 EJAARN O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000105657840 204151670 /nfs/dbraw/zinc/15/16/70/204151670.db2.gz BHVLVJYKEAOAQT-SQWLQELKSA-N 0 0 325.374 4.549 50 0 EJAARN Cc1ncsc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000105972643 204182484 /nfs/dbraw/zinc/18/24/84/204182484.db2.gz DTWUYRHBYJFWGS-YLJYHZDGSA-N 0 0 347.443 4.694 50 0 EJAARN Cc1ccc(OCCN(C)C(=O)Nc2c(C)cccc2C(C)C)cc1 ZINC000043313355 204242775 /nfs/dbraw/zinc/24/27/75/204242775.db2.gz QPLQMKSXWXWFDK-UHFFFAOYSA-N 0 0 340.467 4.970 50 0 EJAARN C[C@H](NC(=O)Nc1cccc(OC(F)(F)F)c1)c1cccs1 ZINC000044018092 204291498 /nfs/dbraw/zinc/29/14/98/204291498.db2.gz QCBIKJKOHXSXHT-VIFPVBQESA-N 0 0 330.331 4.529 50 0 EJAARN O=C1Cc2c3cc(OCc4ccccc4)ccc3[nH]c2[C@H]2CC=CC[C@@H]12 ZINC000045303141 204320473 /nfs/dbraw/zinc/32/04/73/204320473.db2.gz ZSRBXTYDRKHHDB-MSOLQXFVSA-N 0 0 343.426 4.922 50 0 EJAARN CCSc1ccccc1C(=O)Nc1cccc2ccc(OC)nc21 ZINC000049027940 204362106 /nfs/dbraw/zinc/36/21/06/204362106.db2.gz PTZSUQWXMOZBCO-UHFFFAOYSA-N 0 0 338.432 4.608 50 0 EJAARN O=C(NC1CCCCCCC1)c1ccccc1SC[C@@H]1CCCO1 ZINC000019309807 212014206 /nfs/dbraw/zinc/01/42/06/212014206.db2.gz JLHLKHDEEMPPOW-KRWDZBQOSA-N 0 0 347.524 4.800 50 0 EJAARN O=C(NC1CCCCCCC1)c1ccccc1SC[C@H]1CCCO1 ZINC000019309810 212014008 /nfs/dbraw/zinc/01/40/08/212014008.db2.gz JLHLKHDEEMPPOW-QGZVFWFLSA-N 0 0 347.524 4.800 50 0 EJAARN C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC5(CC[C@]4(C)[C@H]3CC[C@@]21C)OCCO5 ZINC000118912681 204614655 /nfs/dbraw/zinc/61/46/55/204614655.db2.gz OCPDFDRDDCQKEV-TVWVXWENSA-N 0 0 348.527 4.523 50 0 EJAARN O=C(c1ccnc(Cl)c1)N(CCc1ccc(F)cc1)C1CCCC1 ZINC000078282084 217037652 /nfs/dbraw/zinc/03/76/52/217037652.db2.gz XNVKBJRNQVWHOT-UHFFFAOYSA-N 0 0 346.833 4.502 50 0 EJAARN CN(Cc1ccc2ccccc2c1)C(=O)Cc1c(F)cccc1Cl ZINC000018825780 211995598 /nfs/dbraw/zinc/99/55/98/211995598.db2.gz JTLMXKROQZONGB-UHFFFAOYSA-N 0 0 341.813 4.833 50 0 EJAARN Cc1ccc(C)c(N(C(=O)Cc2c[nH]c3cc(F)ccc23)C(C)C)c1 ZINC000078472009 217058204 /nfs/dbraw/zinc/05/82/04/217058204.db2.gz MHERUZKKCCIEHZ-UHFFFAOYSA-N 0 0 338.426 4.908 50 0 EJAARN CC(C)c1nc(C[S@@](=O)Cc2ccccc2C(F)(F)F)cs1 ZINC000078394560 217046523 /nfs/dbraw/zinc/04/65/23/217046523.db2.gz TULVZOHHCMGEQS-JOCHJYFZSA-N 0 0 347.427 4.734 50 0 EJAARN Cc1ccc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)c(F)c1 ZINC000018079719 211979463 /nfs/dbraw/zinc/97/94/63/211979463.db2.gz CFURIWUMRXOCCA-UHFFFAOYSA-N 0 0 344.386 4.733 50 0 EJAARN CCC[C@H]1CCCN(C(=O)c2sc(C)cc2OC(F)F)CC1 ZINC000078725564 217108727 /nfs/dbraw/zinc/10/87/27/217108727.db2.gz BIBPDCBXSMNPBU-LBPRGKRZSA-N 0 0 331.428 4.700 50 0 EJAARN CC(=O)c1c(F)cccc1NCCc1coc(-c2ccc(C)cc2)n1 ZINC000078727513 217109930 /nfs/dbraw/zinc/10/99/30/217109930.db2.gz GKHIPSZEQHUZNQ-UHFFFAOYSA-N 0 0 338.382 4.646 50 0 EJAARN Cc1c2ccc(NC(=O)C(C)(C)C)cc2oc1C(=O)c1ccccc1 ZINC000016993262 211944977 /nfs/dbraw/zinc/94/49/77/211944977.db2.gz XSPIWMQBJCQMTL-UHFFFAOYSA-N 0 0 335.403 4.957 50 0 EJAARN CCCCOC(=O)Cn1cnc(-c2ccccc2)c1-c1ccccc1 ZINC000016956234 211943033 /nfs/dbraw/zinc/94/30/33/211943033.db2.gz NVMXKDWEZWHEIJ-UHFFFAOYSA-N 0 0 334.419 4.560 50 0 EJAARN COc1ccccc1NC(=O)CCc1ccc(-c2ccc(F)cc2)o1 ZINC000015867372 211866521 /nfs/dbraw/zinc/86/65/21/211866521.db2.gz HULDBHNVHSPYOF-UHFFFAOYSA-N 0 0 339.366 4.666 50 0 EJAARN CCc1cccc(NC(=O)c2cc(OC)c3cc(Cl)ccc3n2)c1 ZINC000015829256 211856788 /nfs/dbraw/zinc/85/67/88/211856788.db2.gz JVZIDQQWBAUPCY-UHFFFAOYSA-N 0 0 340.810 4.712 50 0 EJAARN Cc1ccc(-c2noc(-c3cccnc3NCc3ccccc3)n2)cc1 ZINC000015669977 211838666 /nfs/dbraw/zinc/83/86/66/211838666.db2.gz LRIHPHVECKVNKM-UHFFFAOYSA-N 0 0 342.402 4.719 50 0 EJAARN C[C@@H](c1ccccc1)N(C)C(=O)/C=C/c1cccc(Br)c1 ZINC000015568520 211831825 /nfs/dbraw/zinc/83/18/25/211831825.db2.gz ZIIHVASSDMIZHH-GETOMWPZSA-N 0 0 344.252 4.682 50 0 EJAARN O=c1[nH]n(C2CCCCC2)c2c1[C@@H](c1ccsc1)SCC(=O)N2 ZINC000080330053 217298825 /nfs/dbraw/zinc/29/88/25/217298825.db2.gz XRZVLBACNFAHSW-CQSZACIVSA-N 0 0 349.481 4.580 50 0 EJAARN Cc1onc(-c2ccc(Cl)cc2)c1C(=O)Nc1ccc(C)cc1 ZINC000080345489 217298894 /nfs/dbraw/zinc/29/88/94/217298894.db2.gz AGBGIADFZHSNFD-UHFFFAOYSA-N 0 0 326.783 4.864 50 0 EJAARN COc1cccc(NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)c1 ZINC000080344198 217298900 /nfs/dbraw/zinc/29/89/00/217298900.db2.gz FIUJWLSCJVWIRW-JKSUJKDBSA-N 0 0 336.218 4.744 50 0 EJAARN COc1ccccc1NC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000080343963 217299372 /nfs/dbraw/zinc/29/93/72/217299372.db2.gz XDWMESPLJRKDFP-KBPBESRZSA-N 0 0 336.218 4.744 50 0 EJAARN CCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]12C ZINC000015204506 211807897 /nfs/dbraw/zinc/80/78/97/211807897.db2.gz PQCRZWCSVWBYSC-HMPZBHLVSA-N 0 0 328.452 4.570 50 0 EJAARN Oc1ccc(Cl)cc1Nc1nc(C(F)(F)F)nc2ccccc21 ZINC000000151340 205416772 /nfs/dbraw/zinc/41/67/72/205416772.db2.gz KQRPASZIUVXTFV-UHFFFAOYSA-N 0 0 339.704 4.751 50 0 EJAARN CCN1c2ccc(NC(=O)c3ccc(C)c(C)c3)c3cccc(c23)C1=O ZINC000000180504 205417268 /nfs/dbraw/zinc/41/72/68/205417268.db2.gz FESUBYFBRFVTOZ-UHFFFAOYSA-N 0 0 344.414 4.689 50 0 EJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1 ZINC000000362732 205438921 /nfs/dbraw/zinc/43/89/21/205438921.db2.gz KEWYPGLHZSUDMG-UHFFFAOYSA-N 0 0 330.598 4.664 50 0 EJAARN CCOc1ccccc1[C@@H]1Nc2ccc(F)cc2[C@H]2OCCC[C@@H]12 ZINC000015017803 211789437 /nfs/dbraw/zinc/78/94/37/211789437.db2.gz RLKQCEGHUWDABO-YSSFQJQWSA-N 0 0 327.399 4.859 50 0 EJAARN CCC(=O)N(CC[C@@H](c1ccco1)c1ccccc1)Cc1ccco1 ZINC000000490384 205469036 /nfs/dbraw/zinc/46/90/36/205469036.db2.gz FUHPFSQPUSQHGY-LJQANCHMSA-N 0 0 337.419 4.833 50 0 biogenic EJAARN Cc1csc([C@@H](C)N(C)Cc2nc(-c3cccs3)oc2C)n1 ZINC000014958297 211778416 /nfs/dbraw/zinc/77/84/16/211778416.db2.gz HLPUBCIIOJGKGL-LLVKDONJSA-N 0 0 333.482 4.669 50 0 EJAARN CC[C@@H](C)c1ccc(NC(=O)Cc2cnn(-c3ccccc3)c2)cc1 ZINC000014898933 211770468 /nfs/dbraw/zinc/77/04/68/211770468.db2.gz RCTXZUFDNCHXFZ-MRXNPFEDSA-N 0 0 333.435 4.567 50 0 EJAARN CCc1ccc2nc(NC(=O)CSc3ccc(C)cc3)sc2c1 ZINC000002615976 205622410 /nfs/dbraw/zinc/62/24/10/205622410.db2.gz YISZIEHKIAEPMX-UHFFFAOYSA-N 0 0 342.489 4.898 50 0 EJAARN CCn1c2ccccc2nc1SCC(=O)c1ccc(Cl)cc1 ZINC000014776246 211762490 /nfs/dbraw/zinc/76/24/90/211762490.db2.gz KVBMSEWXKXJQPG-UHFFFAOYSA-N 0 0 330.840 4.685 50 0 EJAARN COc1cc(C)c(NC(=O)c2ccc(Cl)cc2Cl)cc1OC ZINC000014713000 211756239 /nfs/dbraw/zinc/75/62/39/211756239.db2.gz FRCOWBFFHDXZQG-UHFFFAOYSA-N 0 0 340.206 4.571 50 0 EJAARN Cc1cccc(CSc2nnc(-c3c[nH]c4ccccc34)n2C)c1 ZINC000004138460 205691270 /nfs/dbraw/zinc/69/12/70/205691270.db2.gz NCOZXCZMFJWISK-UHFFFAOYSA-N 0 0 334.448 4.564 50 0 EJAARN C[C@@H](OC(=O)c1cccc2ccccc21)C(=O)c1cccc(Cl)c1 ZINC000014681865 211752302 /nfs/dbraw/zinc/75/23/02/211752302.db2.gz UPKBYUXSEJDRPQ-CYBMUJFWSA-N 0 0 338.790 4.921 50 0 EJAARN C[C@@H](NC(=O)c1ccc[nH]c1=S)c1cc2cc(Cl)ccc2o1 ZINC000136713426 223661057 /nfs/dbraw/zinc/66/10/57/223661057.db2.gz WBOFOQISNPYDNX-SECBINFHSA-N 0 0 332.812 4.635 50 0 EJAARN C/C=C/c1ccc(OCC(=O)c2cc(C)n(C3CC3)c2C)c(OC)c1 ZINC000014318200 211731845 /nfs/dbraw/zinc/73/18/45/211731845.db2.gz HMLUQODIGFOWBL-AATRIKPKSA-N 0 0 339.435 4.743 50 0 EJAARN c1ccc(C(Sc2nnc3n2CCCCC3)c2ccccc2)cc1 ZINC000014200548 211710749 /nfs/dbraw/zinc/71/07/49/211710749.db2.gz DRKNCZGZFBXIMB-UHFFFAOYSA-N 0 0 335.476 4.886 50 0 EJAARN Cc1nc(-c2cccc(NC(=O)c3c(C)noc3C(C)C)c2)cs1 ZINC000014190210 211706689 /nfs/dbraw/zinc/70/66/89/211706689.db2.gz LRMYAVNMOBIDOI-UHFFFAOYSA-N 0 0 341.436 4.791 50 0 EJAARN O=C(Nc1ccccc1OCC(F)(F)F)c1ccccc1Cl ZINC000014127402 211688266 /nfs/dbraw/zinc/68/82/66/211688266.db2.gz DVFVJYCWDJVVDK-UHFFFAOYSA-N 0 0 329.705 4.533 50 0 EJAARN O=c1oc2cc(OCc3ccccc3)c(Cl)cc2c2c1CCC2 ZINC000000278311 206224502 /nfs/dbraw/zinc/22/45/02/206224502.db2.gz HEGRSHXYQKVCOC-UHFFFAOYSA-N 0 0 326.779 4.514 50 0 EJAARN CCc1cccc(C)c1NC(=O)c1sc2nc(C)cc(C)c2c1N ZINC000000422677 206239519 /nfs/dbraw/zinc/23/95/19/206239519.db2.gz ZTKMCVAHIOBEBR-UHFFFAOYSA-N 0 0 339.464 4.618 50 0 EJAARN Cc1cc(Br)ccc1NC(=O)CCCc1ccccc1 ZINC000000458246 206241294 /nfs/dbraw/zinc/24/12/94/206241294.db2.gz SFRWWIUXQFRTRQ-UHFFFAOYSA-N 0 0 332.241 4.719 50 0 EJAARN CCOc1ccc(NC(=S)N[C@@H](C)c2ccc(OCC)cc2)cc1 ZINC000013752092 211630879 /nfs/dbraw/zinc/63/08/79/211630879.db2.gz JJVRZQVJPKVTJZ-AWEZNQCLSA-N 0 0 344.480 4.532 50 0 EJAARN Cc1ccccc1NC(=S)N(Cc1ccccc1)Cc1cccnc1 ZINC000013573202 211583306 /nfs/dbraw/zinc/58/33/06/211583306.db2.gz ZPWMZSVSRARELL-UHFFFAOYSA-N 0 0 347.487 4.789 50 0 EJAARN COc1ccc(-c2cnc(CSCc3nc(C)c(C)s3)o2)cc1 ZINC000088309417 217745812 /nfs/dbraw/zinc/74/58/12/217745812.db2.gz OLMQBIUAFYIRTP-UHFFFAOYSA-N 0 0 346.477 4.857 50 0 EJAARN Cc1cnc(NC(=O)C(C)(C)Oc2cc(Cl)ccc2Cl)s1 ZINC000013331704 211548458 /nfs/dbraw/zinc/54/84/58/211548458.db2.gz SQWXYJBMKDAQLC-UHFFFAOYSA-N 0 0 345.251 4.554 50 0 EJAARN Cc1scc(C(=O)Nc2c(F)cc(F)cc2Br)c1C ZINC000013325655 211545932 /nfs/dbraw/zinc/54/59/32/211545932.db2.gz CFBOSVLRPUYDIY-UHFFFAOYSA-N 0 0 346.196 4.658 50 0 EJAARN O=C(Oc1ccccc1Br)c1ccc2ccccc2c1 ZINC000013141626 211530266 /nfs/dbraw/zinc/53/02/66/211530266.db2.gz XXJCVHILFKQJEX-UHFFFAOYSA-N 0 0 327.177 4.822 50 0 EJAARN CSC1=NC(C)(C)C=C(C=Cc2c(Cl)cccc2Cl)N1 ZINC000013125367 211525805 /nfs/dbraw/zinc/52/58/05/211525805.db2.gz FGDDFWOYMWOYQE-BQYQJAHWSA-N 0 0 327.280 4.991 50 0 EJAARN Cc1ccc(NC(=O)[C@H]2[C@H](c3ccccc3)C2(Cl)Cl)c(C)c1 ZINC000004379885 206488615 /nfs/dbraw/zinc/48/86/15/206488615.db2.gz HXJOJPXOPOKLBC-JKSUJKDBSA-N 0 0 334.246 4.829 50 0 EJAARN O=C(Nc1ccc(Cl)cc1)N[C@@H]1CCSc2ccc(F)cc21 ZINC000013003025 211507580 /nfs/dbraw/zinc/50/75/80/211507580.db2.gz CJMJSRBZRPGSNF-CQSZACIVSA-N 0 0 336.819 4.838 50 0 EJAARN CC(C)(C)C(=O)N1N=C(c2ccco2)C[C@@H]1c1ccc(Cl)cc1 ZINC000089621220 217820120 /nfs/dbraw/zinc/82/01/20/217820120.db2.gz YISOEYBSRRZHDL-OAHLLOKOSA-N 0 0 330.815 4.657 50 0 EJAARN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(-c3nccs3)cc2)cc1 ZINC000012977350 211497589 /nfs/dbraw/zinc/49/75/89/211497589.db2.gz JXURMYSKMUNPFV-CQSZACIVSA-N 0 0 338.432 4.525 50 0 EJAARN Cc1ccc(Nc2ncncc2-c2nc(-c3ccccc3)no2)c(C)c1 ZINC000169775598 206560524 /nfs/dbraw/zinc/56/05/24/206560524.db2.gz AMDKHXZMVBNTIJ-UHFFFAOYSA-N 0 0 343.390 4.554 50 0 EJAARN CN(Cc1ccccc1OC(F)(F)F)C(=O)c1cc2ccccc2o1 ZINC000012930964 211486383 /nfs/dbraw/zinc/48/63/83/211486383.db2.gz UHWLXJRVBJUZLI-UHFFFAOYSA-N 0 0 349.308 4.604 50 0 EJAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1[nH]c2ccc(F)cc2c1Cl ZINC000089807233 217848022 /nfs/dbraw/zinc/84/80/22/217848022.db2.gz BKKKLDLHTJQCHG-UHFFFAOYSA-N 0 0 346.833 4.659 50 0 EJAARN CCN(C(=O)c1cc2c(ccc3ccccc23)[nH]1)c1nc(C)cs1 ZINC000170647759 206595328 /nfs/dbraw/zinc/59/53/28/206595328.db2.gz UQXUEVJMOQGFJZ-UHFFFAOYSA-N 0 0 335.432 4.753 50 0 EJAARN Cc1nn(CC(C)C)c2sc(C(=O)N[C@H](C)c3ccccc3)cc12 ZINC000012855834 211470138 /nfs/dbraw/zinc/47/01/38/211470138.db2.gz CLKONFUCIDENBD-CYBMUJFWSA-N 0 0 341.480 4.553 50 0 EJAARN Cc1nc(-c2ccccc2)ccc1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000012746332 211442466 /nfs/dbraw/zinc/44/24/66/211442466.db2.gz KVNYREFHAHFNTQ-AWEZNQCLSA-N 0 0 334.394 4.687 50 0 EJAARN CCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000012637209 211427337 /nfs/dbraw/zinc/42/73/37/211427337.db2.gz ZNOCILUZQGYQJS-QGZVFWFLSA-N 0 0 347.462 4.665 50 0 EJAARN c1ccc(C(Sc2nnc(NC3CC3)s2)c2ccccc2)cc1 ZINC000012755941 211446773 /nfs/dbraw/zinc/44/67/73/211446773.db2.gz VOWSRTQXLIJULT-UHFFFAOYSA-N 0 0 339.489 4.994 50 0 EJAARN Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3ccccc3C)c12 ZINC000012618300 211424388 /nfs/dbraw/zinc/42/43/88/211424388.db2.gz FKEKNJPSEHQZME-UHFFFAOYSA-N 0 0 349.415 4.820 50 0 EJAARN Cc1cc(C(=O)Nc2nc(-c3cccc4ccccc43)cs2)on1 ZINC000012422383 211376640 /nfs/dbraw/zinc/37/66/40/211376640.db2.gz IRKFFUUDVZGGNP-UHFFFAOYSA-N 0 0 335.388 4.512 50 0 EJAARN Cc1cc(C(=O)Nc2sccc2-c2nc3ccccc3s2)on1 ZINC000012422472 211376673 /nfs/dbraw/zinc/37/66/73/211376673.db2.gz BYVUQYVKJKAXGB-UHFFFAOYSA-N 0 0 341.417 4.574 50 0 EJAARN O=C(c1ccc2ncsc2c1)N(Cc1ccccc1)c1ccccn1 ZINC000012527562 211398772 /nfs/dbraw/zinc/39/87/72/211398772.db2.gz PHRVONYTRIJTAV-UHFFFAOYSA-N 0 0 345.427 4.538 50 0 EJAARN Cc1nc2scc(-c3cccs3)c2c(Oc2cccnc2)n1 ZINC000012517111 211396039 /nfs/dbraw/zinc/39/60/39/211396039.db2.gz PMLNJURGIBVQAM-UHFFFAOYSA-N 0 0 325.418 4.916 50 0 EJAARN Cc1cccc(NC2=NC(=S)N(c3ccccc3)C23CCCC3)c1 ZINC000012462706 211388494 /nfs/dbraw/zinc/38/84/94/211388494.db2.gz BWAVFCRLIFHGRN-UHFFFAOYSA-N 0 0 335.476 4.923 50 0 EJAARN Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC000012432983 211380635 /nfs/dbraw/zinc/38/06/35/211380635.db2.gz HNSJIAJPRVWSOL-INIZCTEOSA-N 0 0 347.886 4.650 50 0 EJAARN O=C(Nc1ccc2ccccc2n1)c1ccc(COc2ccccc2)o1 ZINC000012376796 211360342 /nfs/dbraw/zinc/36/03/42/211360342.db2.gz HYXGATZKHDYURN-UHFFFAOYSA-N 0 0 344.370 4.659 50 0 EJAARN COc1cccc(-c2nc(-c3cc4ccccc4oc3=O)cs2)c1 ZINC000012408480 211371865 /nfs/dbraw/zinc/37/18/65/211371865.db2.gz GTHXZFNCFGEONI-UHFFFAOYSA-N 0 0 335.384 4.592 50 0 EJAARN C[C@H]1SCCN(C(=O)Nc2ccccc2CCC(F)(F)F)[C@H]1C ZINC000089920033 217882537 /nfs/dbraw/zinc/88/25/37/217882537.db2.gz JLAHWJFNBRLTQM-NWDGAFQWSA-N 0 0 346.418 4.539 50 0 EJAARN COc1ccccc1[C@@H]1CCCN1Cc1nc(-c2ccoc2)oc1C 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Cc1c(-c2cccc(C)c2)nn2c1nc(C)cc2N1C[C@@H](C)C[C@H](C)C1 ZINC000040216806 132399371 /nfs/dbraw/zinc/39/93/71/132399371.db2.gz IADMJONHLAAKAZ-HOTGVXAUSA-N 0 0 348.494 4.804 50 0 EJAARN CSc1cccc(NC(=O)N2CCSc3nc(C)cc(C)c32)c1 ZINC000064658188 132806690 /nfs/dbraw/zinc/80/66/90/132806690.db2.gz ZCYIHGSWZOGZHX-UHFFFAOYSA-N 0 0 345.493 4.565 50 0 EJAARN O=C1c2ccccc2N[C@@H](c2cccc(F)c2)N1c1ccc(F)cc1 ZINC000000104503 135644752 /nfs/dbraw/zinc/64/47/52/135644752.db2.gz XBVLVAIVOXLBKZ-LJQANCHMSA-N 0 0 336.341 4.736 50 0 EJAARN O=C1c2ccccc2N[C@@H](c2cccc(F)c2)N1c1ccccc1F ZINC000000500667 135651319 /nfs/dbraw/zinc/65/13/19/135651319.db2.gz VXGZLGZQDHXXFX-LJQANCHMSA-N 0 0 336.341 4.736 50 0 EJAARN Fc1c(F)c(N2CCCCC2)c(F)c2c1N=Cc1ccccc1O2 ZINC000004623979 135664919 /nfs/dbraw/zinc/66/49/19/135664919.db2.gz XBOGDNGJVKSYGW-UHFFFAOYSA-N 0 0 332.325 4.951 50 0 EJAARN CC[C@H]1CN(C(=O)Nc2ccc(F)c(Cl)c2)c2cc(C)ccc2O1 ZINC000006843190 135677744 /nfs/dbraw/zinc/67/77/44/135677744.db2.gz AYCNRZVYCVQAEL-ZDUSSCGKSA-N 0 0 348.805 4.997 50 0 EJAARN O=C(Nc1ccc(Br)cc1)N1CCSc2ccccc21 ZINC000006876865 135678120 /nfs/dbraw/zinc/67/81/20/135678120.db2.gz ZKFZJWNMFILIGD-UHFFFAOYSA-N 0 0 349.253 4.593 50 0 EJAARN COc1ccc(OCCSCc2nc3ccccc3s2)cc1 ZINC000058278202 262529566 /nfs/dbraw/zinc/52/95/66/262529566.db2.gz NYGWAEILEVBIAP-UHFFFAOYSA-N 0 0 331.462 4.617 50 0 EJAARN C[C@H](NS(=O)(=O)c1ccc(Cl)c2ccccc21)c1ccccc1 ZINC000170615125 533967001 /nfs/dbraw/zinc/96/70/01/533967001.db2.gz IEZJKQCFVLIQDU-ZDUSSCGKSA-N 0 0 345.851 4.533 50 0 EJAARN C[C@@H]1CCC[C@@H](NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@H]1C ZINC000239339208 524311668 /nfs/dbraw/zinc/31/16/68/524311668.db2.gz LVOWNOMWHJFPAW-GBIKHYSHSA-N 0 0 348.796 5.305 50 0 EJAARN CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC(=O)[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253497970 534780147 /nfs/dbraw/zinc/78/01/47/534780147.db2.gz VRKZRMXFPPHWKJ-TZOOJHKXSA-N 0 0 332.484 4.530 50 0 EJAARN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2F)cc1 ZINC000000070036 524400480 /nfs/dbraw/zinc/40/04/80/524400480.db2.gz LYXPSDAPBZZZRY-FQEVSTJZSA-N 0 0 348.377 4.605 50 0 EJAARN Cc1ccc(NC(=O)CC[C@H](C)CC(=O)Nc2ccc(C)cc2)cc1 ZINC000025539742 525039255 /nfs/dbraw/zinc/03/92/55/525039255.db2.gz VLXNSUNHZWFUJP-KRWDZBQOSA-N 0 0 338.451 4.687 50 0 EJAARN Cc1ccc(Nc2nnc(SCC(=O)c3ccccc3)s2)cc1 ZINC000003468401 525329483 /nfs/dbraw/zinc/32/94/83/525329483.db2.gz UJYRHJMFMNRVQJ-UHFFFAOYSA-N 0 0 341.461 4.565 50 0 EJAARN Cc1[nH]c2ccc(C(=O)OCC(=O)c3ccc(Cl)s3)cc2c1C ZINC000007986866 525424701 /nfs/dbraw/zinc/42/47/01/525424701.db2.gz BRQVSIIYSKUSIJ-UHFFFAOYSA-N 0 0 347.823 4.539 50 0 EJAARN Cc1cc2occ(CC(=O)NCc3ccccc3Cl)c2c(C)c1 ZINC000004820414 525695601 /nfs/dbraw/zinc/69/56/01/525695601.db2.gz LBBOWWFOMVZPIK-UHFFFAOYSA-N 0 0 327.811 4.562 50 0 EJAARN Cc1ccc2c(c1)N([C@@H](O)C(Cl)(Cl)Cl)C(C)(C)C=C2C ZINC000000064624 526170423 /nfs/dbraw/zinc/17/04/23/526170423.db2.gz GWHXOILQZFBSLE-ZDUSSCGKSA-N 0 0 334.674 4.686 50 0 EJAARN O=C1c2ccccc2N[C@H](c2ccncc2)N1c1ccccc1Cl ZINC000000034987 527134238 /nfs/dbraw/zinc/13/42/38/527134238.db2.gz WREREZOJTWGLBN-SFHVURJKSA-N 0 0 335.794 4.506 50 0 EJAARN CC(C)c1cnc(SCc2cc3ccccc3[nH]c2=O)n1C(C)C ZINC000157481909 528227335 /nfs/dbraw/zinc/22/73/35/528227335.db2.gz XNSWIXONRVPWIO-UHFFFAOYSA-N 0 0 341.480 4.721 50 0 EJAARN CC(C)(C)c1ccc(C(=O)N[C@@H]2CCN3CCCc4cccc2c43)cc1 ZINC000001741848 535108982 /nfs/dbraw/zinc/10/89/82/535108982.db2.gz NCDOTFBYVPNVHO-HXUWFJFHSA-N 0 0 348.490 4.612 50 0 EJAARN CC1=C(C)CN(C(=O)Cc2csc(-c3ccccc3Cl)n2)CC1 ZINC000225469773 535230143 /nfs/dbraw/zinc/23/01/43/535230143.db2.gz IRSMPZHGZKFVNG-UHFFFAOYSA-N 0 0 346.883 4.575 50 0 EJAARN COc1ccc([C@H]2CCCCN(C(=O)/C=C/c3ccccc3)C2)cc1 ZINC000208003480 536938674 /nfs/dbraw/zinc/93/86/74/536938674.db2.gz MDYYPEMNGFDLAX-XIJQHFHMSA-N 0 0 335.447 4.505 50 0 EJAARN COc1ccc2c(c1)SC[C@]1(C)C2=CC[C@@]2(C)C(=O)CC[C@]21C ZINC000230125081 537003317 /nfs/dbraw/zinc/00/33/17/537003317.db2.gz QQHXASQOUYMTQW-XUVXKRRUSA-N 0 0 328.477 4.970 50 0 EJAARN O=C(COc1cccc(Cl)c1)Nc1ccc(SC(F)F)cc1 ZINC000016018905 563802244 /nfs/dbraw/zinc/80/22/44/563802244.db2.gz GSIVVSDEDXJXSF-UHFFFAOYSA-N 0 0 343.782 4.672 50 0 EJAARN Cc1ccc(C)c(NC(=O)c2cc(Br)ccc2Cl)c1 ZINC000000260840 563989895 /nfs/dbraw/zinc/98/98/95/563989895.db2.gz VPYCWQFNNPRNMF-UHFFFAOYSA-N 0 0 338.632 4.972 50 0 EJAARN O=C(CSc1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1 ZINC000000121577 564012076 /nfs/dbraw/zinc/01/20/76/564012076.db2.gz DRTDKAWYTWEYOH-UHFFFAOYSA-N 0 0 331.746 4.729 50 0 EJAARN COc1cc(CNc2ccc(C)c(Cl)c2)cc(Cl)c1OC ZINC000000469789 564012674 /nfs/dbraw/zinc/01/26/74/564012674.db2.gz XKJZHWJQZTUDBS-UHFFFAOYSA-N 0 0 326.223 4.931 50 0 EJAARN CCCSc1ncc(Cl)c(C(=O)Nc2cccc(Cl)c2)n1 ZINC000006810507 564098424 /nfs/dbraw/zinc/09/84/24/564098424.db2.gz MPRGFCPPFFTDMO-UHFFFAOYSA-N 0 0 342.251 4.538 50 0 EJAARN COc1ccccc1[C@H](C)N(C)C(=O)[C@H](C)c1ccc(Cl)s1 ZINC000095964095 564142843 /nfs/dbraw/zinc/14/28/43/564142843.db2.gz QIXFDTLMTNBCRE-NEPJUHHUSA-N 0 0 337.872 4.733 50 0 EJAARN ClC1(Cl)[C@@H]2C[C@@H]3[C@H]([C@H]4[C@@H]([C@@H]21)C4(Cl)Cl)C3(Cl)Cl ZINC000239339254 564118015 /nfs/dbraw/zinc/11/80/15/564118015.db2.gz LXFGXVWBHKKGFX-XLCKTPMPSA-N 0 0 340.892 4.650 50 0 EJAARN CN(Cn1nc(NC2CCCCC2)sc1=S)C1CCCCC1 ZINC000028705180 564152191 /nfs/dbraw/zinc/15/21/91/564152191.db2.gz ZSFDXHIBILNOAD-UHFFFAOYSA-N 0 0 340.562 4.641 50 0 EJAARN Cc1c(Cl)cccc1NC(=O)COc1cc(Cl)ccc1Cl ZINC000000130380 563238283 /nfs/dbraw/zinc/23/82/83/563238283.db2.gz YPKJGURMZLQTGW-UHFFFAOYSA-N 0 0 344.625 4.973 50 0 EJAARN O=C(CCSc1ccc(Br)cc1)c1cccs1 ZINC000000403767 563306284 /nfs/dbraw/zinc/30/62/84/563306284.db2.gz LOFVZDMPBHMUMZ-UHFFFAOYSA-N 0 0 327.268 4.876 50 0 EJAARN CCOc1cccc(C(=O)Nc2c(C)cc(Br)cc2C)c1 ZINC000000452151 563320979 /nfs/dbraw/zinc/32/09/79/563320979.db2.gz UJYWZXXFPKUKST-UHFFFAOYSA-N 0 0 348.240 4.717 50 0 EJAARN O=C(Nc1cccc(Cl)c1Cl)OCCCc1ccncc1 ZINC000001560677 563392075 /nfs/dbraw/zinc/39/20/75/563392075.db2.gz JRVABMGMYWBOMI-UHFFFAOYSA-N 0 0 325.195 4.570 50 0 EJAARN O=C(CCNc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000002519782 563438326 /nfs/dbraw/zinc/43/83/26/563438326.db2.gz XSKRZUKYHPCWEG-UHFFFAOYSA-N 0 0 338.632 4.787 50 0 EJAARN Cc1cc(-c2cccc(Br)c2)ncc1Br ZINC000536955320 568420782 /nfs/dbraw/zinc/42/07/82/568420782.db2.gz WNVOTMGXZWFDSD-UHFFFAOYSA-N 0 0 327.019 4.582 50 0 EJAARN Cc1cc(S(=O)(=O)Oc2c(Cl)cccc2Cl)cc(C)c1F ZINC000003170814 563475184 /nfs/dbraw/zinc/47/51/84/563475184.db2.gz UIQKTJHYCPFRNB-UHFFFAOYSA-N 0 0 349.210 4.517 50 0 EJAARN COc1ccc(Nc2nc(-c3c(C)nc4ccccn43)cs2)cc1 ZINC000000003229 563211444 /nfs/dbraw/zinc/21/14/44/563211444.db2.gz ODGUIBUWNYBUFX-UHFFFAOYSA-N 0 0 336.420 4.518 50 0 EJAARN O=C(Nc1ccccc1C(F)(F)F)c1ccccc1Br ZINC000000038975 563212511 /nfs/dbraw/zinc/21/25/11/563212511.db2.gz RDAYQONDWYRSDK-UHFFFAOYSA-N 0 0 344.130 4.720 50 0 EJAARN CCN(CC)c1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000000060740 563214184 /nfs/dbraw/zinc/21/41/84/563214184.db2.gz YNYSGGGPHJRHFG-UHFFFAOYSA-N 0 0 336.357 4.804 50 0 EJAARN O=C1CS[C@@H](c2ccc(Cl)c(Cl)c2)N1c1ccc(F)cc1 ZINC000000067291 563214384 /nfs/dbraw/zinc/21/43/84/563214384.db2.gz OFOOYEPOQUIBTA-HNNXBMFYSA-N 0 0 342.222 4.911 50 0 EJAARN Cc1cccc(C2=N/C(=C/c3ccc(Cl)c(Cl)c3)C(=O)O2)c1 ZINC000000070859 563215134 /nfs/dbraw/zinc/21/51/34/563215134.db2.gz XFUGWCBMKVOUFP-OQLLNIDSSA-N 0 0 332.186 4.646 50 0 EJAARN Cc1sc2ncnc(SCC(=O)c3ccc(Cl)cc3)c2c1C ZINC000000072478 563215791 /nfs/dbraw/zinc/21/57/91/563215791.db2.gz MFWHGWMODPHPMT-UHFFFAOYSA-N 0 0 348.880 4.937 50 0 EJAARN Cc1cc(Oc2cc(Cl)cc(Cl)c2)nc(-c2ccccn2)n1 ZINC000000074605 563216494 /nfs/dbraw/zinc/21/64/94/563216494.db2.gz WXGWHMOTAKRYIU-UHFFFAOYSA-N 0 0 332.190 4.946 50 0 EJAARN CC(C)(C)c1ccc(-c2noc(CSc3ccccn3)n2)cc1 ZINC000000075620 563216843 /nfs/dbraw/zinc/21/68/43/563216843.db2.gz WFHLJHXPPLMNFP-UHFFFAOYSA-N 0 0 325.437 4.721 50 0 EJAARN CCOc1ccsc1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000082857 563219055 /nfs/dbraw/zinc/21/90/55/563219055.db2.gz JHHMHQAVTZIJKQ-UHFFFAOYSA-N 0 0 330.331 4.810 50 0 EJAARN Cc1ccc(Sc2ncccc2NC(=O)Cc2ccccc2)cc1 ZINC000000084126 563219702 /nfs/dbraw/zinc/21/97/02/563219702.db2.gz RATZYSDSQYWCLN-UHFFFAOYSA-N 0 0 334.444 4.722 50 0 EJAARN Cc1cccc2[nH]c(SCc3cc4c(cc3Cl)OCO4)nc21 ZINC000000086527 563220464 /nfs/dbraw/zinc/22/04/64/563220464.db2.gz HUUYFKDVDXNCTF-UHFFFAOYSA-N 0 0 332.812 4.546 50 0 EJAARN O=c1oc(-c2cccc3ccccc32)nc2sc3c(c21)CCCC3 ZINC000000087405 563221132 /nfs/dbraw/zinc/22/11/32/563221132.db2.gz RTADOEPOCKJLSI-UHFFFAOYSA-N 0 0 333.412 4.949 50 0 EJAARN O=C(NCc1ccccn1)N1c2ccccc2Sc2ccccc21 ZINC000000088012 563221479 /nfs/dbraw/zinc/22/14/79/563221479.db2.gz BTXOHFJHZWJHLC-UHFFFAOYSA-N 0 0 333.416 4.594 50 0 EJAARN Cc1cc2c(cc1C)[C@H](c1cc(Br)ccc1F)CC(=O)N2 ZINC000000088895 563221513 /nfs/dbraw/zinc/22/15/13/563221513.db2.gz POGXRPWJRVAECM-LBPRGKRZSA-N 0 0 348.215 4.679 50 0 EJAARN O=C(NCc1cccnc1)N1c2ccccc2Sc2ccccc21 ZINC000000088016 563221527 /nfs/dbraw/zinc/22/15/27/563221527.db2.gz QOKMEIRGZSYISP-UHFFFAOYSA-N 0 0 333.416 4.594 50 0 EJAARN O=C(Nc1cccc(Br)c1)c1ccc(C(F)(F)F)cc1 ZINC000000089097 563221811 /nfs/dbraw/zinc/22/18/11/563221811.db2.gz IEWMHFXINWPDCA-UHFFFAOYSA-N 0 0 344.130 4.720 50 0 EJAARN COc1ccc(/C=C/C(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000000094249 563223589 /nfs/dbraw/zinc/22/35/89/563223589.db2.gz ASRPDYUBNFCGGI-SAPNQHFASA-N 0 0 343.426 4.614 50 0 biogenic EJAARN Clc1ccccc1Nc1ncnc2ccc(Br)cc21 ZINC000000101727 563226272 /nfs/dbraw/zinc/22/62/72/563226272.db2.gz FCDADNVXSSNCQS-UHFFFAOYSA-N 0 0 334.604 4.789 50 0 EJAARN Cc1ccc(C(=O)Nc2ccc3c(c2)ncn3-c2ccc(C)cc2)cc1 ZINC000000103962 563226945 /nfs/dbraw/zinc/22/69/45/563226945.db2.gz JUKOTKFMFOWUHT-UHFFFAOYSA-N 0 0 341.414 4.895 50 0 EJAARN CC1CCN(CC(=O)N2c3ccccc3Sc3ccccc32)CC1 ZINC000000104800 563227128 /nfs/dbraw/zinc/22/71/28/563227128.db2.gz FNFRVVQSILTNLF-UHFFFAOYSA-N 0 0 338.476 4.548 50 0 EJAARN Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1 ZINC000000104556 563227215 /nfs/dbraw/zinc/22/72/15/563227215.db2.gz HZOFORLMMGWSQR-OAQYLSRUSA-N 0 0 328.415 4.762 50 0 EJAARN CC(C)(C)c1ccc(-c2noc(CCOc3ccc(F)cc3)n2)cc1 ZINC000000107331 563228411 /nfs/dbraw/zinc/22/84/11/563228411.db2.gz NDUVVLHZFOWOEE-UHFFFAOYSA-N 0 0 340.398 4.795 50 0 EJAARN Cc1cc(C)nc(SCc2ccc(C(=O)c3ccccc3)cc2)n1 ZINC000000107680 563228525 /nfs/dbraw/zinc/22/85/25/563228525.db2.gz ZXFDLMHEGUJEEA-UHFFFAOYSA-N 0 0 334.444 4.617 50 0 EJAARN O=C(CCSc1cccs1)Nc1cccc(C(F)(F)F)c1 ZINC000000107714 563228586 /nfs/dbraw/zinc/22/85/86/563228586.db2.gz JECQPUZPVMKJEK-UHFFFAOYSA-N 0 0 331.384 4.888 50 0 EJAARN Clc1ccc(OCc2noc(-c3ccsc3)n2)c(Cl)c1 ZINC000000107671 563228622 /nfs/dbraw/zinc/22/86/22/563228622.db2.gz HPESDYMHRNVLMT-UHFFFAOYSA-N 0 0 327.192 4.684 50 0 EJAARN O=C1C[C@@H](c2ccc(OC(F)(F)F)cc2)Sc2ccccc2N1 ZINC000000110166 563229317 /nfs/dbraw/zinc/22/93/17/563229317.db2.gz XXHBVRLQDQVVAH-AWEZNQCLSA-N 0 0 339.338 4.761 50 0 EJAARN Cc1ccc(C(=O)N2CCC(C(=O)c3c(C)cc(C)cc3C)CC2)cc1 ZINC000000112753 563230415 /nfs/dbraw/zinc/23/04/15/563230415.db2.gz PBVNYACRLQMXSD-UHFFFAOYSA-N 0 0 349.474 4.655 50 0 EJAARN CCC[C@@H]1C[C@@](C)(c2csc(Nc3ccc(C)cc3)n2)OC1=O ZINC000000114941 563231363 /nfs/dbraw/zinc/23/13/63/563231363.db2.gz DQCZCIOEXSBBNB-ACJLOTCBSA-N 0 0 330.453 4.774 50 0 biogenic EJAARN CC(C)(C)c1ccc(C2N=NC(=S)N2c2cccc(F)c2)cc1 ZINC000000115474 563231818 /nfs/dbraw/zinc/23/18/18/563231818.db2.gz ZUPJUFFIHHKZRO-UHFFFAOYSA-N 0 0 327.428 4.660 50 0 EJAARN C[C@@H](NC(=O)COc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000000116583 563232093 /nfs/dbraw/zinc/23/20/93/563232093.db2.gz CAVMUFAKBUMLGK-QGZVFWFLSA-N 0 0 331.415 4.610 50 0 EJAARN CC(=O)c1cccc(NC(=O)COc2ccc(-c3ccccc3)cc2)c1 ZINC000000116648 563232158 /nfs/dbraw/zinc/23/21/58/563232158.db2.gz GQITUCMOAGYWRO-UHFFFAOYSA-N 0 0 345.398 4.574 50 0 EJAARN O=C(Nc1ccncc1)c1cc(-c2ccccc2)oc1C(F)(F)F ZINC000000119865 563233720 /nfs/dbraw/zinc/23/37/20/563233720.db2.gz YUTJHSOHNKPDDP-UHFFFAOYSA-N 0 0 332.281 4.613 50 0 EJAARN Cc1ccc(-c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000000121403 563234371 /nfs/dbraw/zinc/23/43/71/563234371.db2.gz VEOWDJDRBXNQBS-UHFFFAOYSA-N 0 0 335.378 4.819 50 0 EJAARN O=C1C(Nc2ccccc2)=C[C@@H](c2ccc(F)cc2)N1c1ccccc1 ZINC000000122482 563235092 /nfs/dbraw/zinc/23/50/92/563235092.db2.gz RCHOMWTUXBTZPF-NRFANRHFSA-N 0 0 344.389 4.910 50 0 EJAARN Cc1ccc(C(C)(C)C)c(OCC(=O)Nc2ccccc2Cl)c1 ZINC000000133537 563239425 /nfs/dbraw/zinc/23/94/25/563239425.db2.gz FFGOYFINFUOZPG-UHFFFAOYSA-N 0 0 331.843 4.963 50 0 EJAARN O=c1c(Cc2ccccc2OCc2ccccc2)coc2ccccc21 ZINC000000134617 563239812 /nfs/dbraw/zinc/23/98/12/563239812.db2.gz MNDLRGBJTWVRDN-UHFFFAOYSA-N 0 0 342.394 4.963 50 0 EJAARN Cc1cccc(Cc2cnc(NC(=O)/C=C/c3ccccc3)s2)c1 ZINC000000134159 563239822 /nfs/dbraw/zinc/23/98/22/563239822.db2.gz KALUHRRZSXQSBV-ZHACJKMWSA-N 0 0 334.444 4.694 50 0 EJAARN O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000000137695 563241203 /nfs/dbraw/zinc/24/12/03/563241203.db2.gz ORRBMARPSROFKN-UHFFFAOYSA-N 0 0 335.790 4.823 50 0 EJAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCC(C)(C)C ZINC000000139692 563241478 /nfs/dbraw/zinc/24/14/78/563241478.db2.gz MAMCRGYRSQFTBU-UHFFFAOYSA-N 0 0 341.238 4.733 50 0 EJAARN S=C(SCc1c(Cl)cccc1Cl)N1CCSCC1 ZINC000000140421 563241861 /nfs/dbraw/zinc/24/18/61/563241861.db2.gz CZXPJFOVTMSCBE-UHFFFAOYSA-N 0 0 338.350 4.560 50 0 EJAARN CC(=O)c1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2)cc1 ZINC000000148548 563245144 /nfs/dbraw/zinc/24/51/44/563245144.db2.gz WYOMTOZFLSRAIB-UHFFFAOYSA-N 0 0 346.382 4.541 50 0 EJAARN Cc1cc(O[C@H](C)C(=O)N[C@H](C)c2ccccc2)cc(C)c1Cl ZINC000000150819 563246035 /nfs/dbraw/zinc/24/60/35/563246035.db2.gz WVEAECCTPHJIKY-HUUCEWRRSA-N 0 0 331.843 4.602 50 0 EJAARN O=C(Nc1cccc(Cl)c1)Nc1ccccc1N1CCCCC1 ZINC000000155432 563247397 /nfs/dbraw/zinc/24/73/97/563247397.db2.gz GOIBXOYLKDPDHC-UHFFFAOYSA-N 0 0 329.831 4.974 50 0 EJAARN Cc1cc2c(cccc2NC(=O)Nc2ccc(C(C)(C)C)cc2)nn1 ZINC000000156477 563247790 /nfs/dbraw/zinc/24/77/90/563247790.db2.gz RGEQGYCLPZRNQP-UHFFFAOYSA-N 0 0 334.423 4.880 50 0 EJAARN Cc1nc(-c2ccccc2)sc1C(=O)N1CCCc2ccccc21 ZINC000000157248 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ZINC000001056637 563371568 /nfs/dbraw/zinc/37/15/68/563371568.db2.gz HZQMHDPBTJRWSO-UHFFFAOYSA-N 0 0 327.405 4.527 50 0 EJAARN CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1OC ZINC000001071757 563373304 /nfs/dbraw/zinc/37/33/04/563373304.db2.gz BUBLTIPLCDNTBF-UHFFFAOYSA-N 0 0 340.206 4.653 50 0 EJAARN Cc1ccc(COc2ccccc2C(=S)N2CCC(C)CC2)cc1 ZINC000001118916 563375108 /nfs/dbraw/zinc/37/51/08/563375108.db2.gz BRWHYAYVVOTLJU-UHFFFAOYSA-N 0 0 339.504 4.981 50 0 EJAARN Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(F)cc2)c1C ZINC000001113804 563375190 /nfs/dbraw/zinc/37/51/90/563375190.db2.gz YWLDPIDZESPYMG-UHFFFAOYSA-N 0 0 335.444 4.541 50 0 EJAARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCC1=CCCCC1 ZINC000001124693 563375587 /nfs/dbraw/zinc/37/55/87/563375587.db2.gz QMHMTFICJMXDQP-MRXNPFEDSA-N 0 0 329.484 4.758 50 0 EJAARN Cc1c(Cl)cccc1NC(=O)Nc1cccc(Cn2cccn2)c1 ZINC000001121622 563375625 /nfs/dbraw/zinc/37/56/25/563375625.db2.gz QUTSMVBQWNIXNH-UHFFFAOYSA-N 0 0 340.814 4.537 50 0 EJAARN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1-2)OCc1ccccc1 ZINC000001141154 563375911 /nfs/dbraw/zinc/37/59/11/563375911.db2.gz OBSVXCMPEQOGGI-UHFFFAOYSA-N 0 0 329.355 4.647 50 0 EJAARN Cc1ccc(C(=O)Oc2cccc(NC(=O)c3ccccc3)c2)cc1C ZINC000001162702 563376619 /nfs/dbraw/zinc/37/66/19/563376619.db2.gz FVYBLEUZGZFDLR-UHFFFAOYSA-N 0 0 345.398 4.775 50 0 EJAARN CCc1cc(=O)oc2cc(C)cc(OCc3ccc(Cl)cc3)c12 ZINC000001164416 563376626 /nfs/dbraw/zinc/37/66/26/563376626.db2.gz QHJGUKLQOBNURD-UHFFFAOYSA-N 0 0 328.795 4.896 50 0 EJAARN O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ccco1 ZINC000001184189 563378053 /nfs/dbraw/zinc/37/80/53/563378053.db2.gz GGKACIBIOYEROV-UHFFFAOYSA-N 0 0 338.750 4.994 50 0 EJAARN Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)N2CCCCC2)c1 ZINC000001191986 563378401 /nfs/dbraw/zinc/37/84/01/563378401.db2.gz FVKBUYQQOHDPOX-OAQYLSRUSA-N 0 0 333.475 4.622 50 0 EJAARN CCC(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2Cl)c1 ZINC000001220020 563379811 /nfs/dbraw/zinc/37/98/11/563379811.db2.gz URPZHIIVMJVDHN-UHFFFAOYSA-N 0 0 337.206 4.594 50 0 EJAARN Nc1nccc(-c2cccc(OCc3ccc(Cl)cc3Cl)c2)n1 ZINC000001389987 563385713 /nfs/dbraw/zinc/38/57/13/563385713.db2.gz IMLUISSOPUJQJK-UHFFFAOYSA-N 0 0 346.217 4.612 50 0 EJAARN COC(=O)c1cc2cc(NC(=O)c3ccc(Cl)cc3)ccc2s1 ZINC000001392858 563386058 /nfs/dbraw/zinc/38/60/58/563386058.db2.gz SHYKZNHWZAKOBE-UHFFFAOYSA-N 0 0 345.807 4.594 50 0 EJAARN Cc1cccc(COc2ccccc2C(=O)c2cnn(C(C)(C)C)c2)c1 ZINC000001395263 563386461 /nfs/dbraw/zinc/38/64/61/563386461.db2.gz RPQRGFBWCDUXMZ-UHFFFAOYSA-N 0 0 348.446 4.757 50 0 EJAARN O=C(Cc1ccccc1)c1ccccc1NC(=O)c1cccc(F)c1 ZINC000001425358 563388476 /nfs/dbraw/zinc/38/84/76/563388476.db2.gz OIANSOGDHGKOAL-UHFFFAOYSA-N 0 0 333.362 4.503 50 0 EJAARN CCOC(=O)c1sc(Nc2cc(Cl)ccc2Cl)nc1C ZINC000001623201 563397455 /nfs/dbraw/zinc/39/74/55/563397455.db2.gz FJHQIUZOOWHUMI-UHFFFAOYSA-N 0 0 331.224 4.679 50 0 EJAARN CC(C)Oc1ccc(NC(=O)CCCOc2ccc(Cl)cc2)cc1 ZINC000001775691 563410895 /nfs/dbraw/zinc/41/08/95/563410895.db2.gz MNOYJBBBUDEHJH-UHFFFAOYSA-N 0 0 347.842 4.925 50 0 EJAARN Cc1ccc(OCCCC(=O)Nc2cccc(Br)c2)cc1 ZINC000001775873 563410956 /nfs/dbraw/zinc/41/09/56/563410956.db2.gz ITYRFVWZEBGBBE-UHFFFAOYSA-N 0 0 348.240 4.555 50 0 EJAARN COc1ccc(OCCCC(=O)Nc2cccc3ccccc32)cc1 ZINC000001778299 563411512 /nfs/dbraw/zinc/41/15/12/563411512.db2.gz OVOKJXGBACHUCY-UHFFFAOYSA-N 0 0 335.403 4.646 50 0 EJAARN CC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)N1c1ccccc1 ZINC000002062671 563420910 /nfs/dbraw/zinc/42/09/10/563420910.db2.gz ITMWOAQPJMNDKV-QFIPXVFZSA-N 0 0 341.414 4.615 50 0 EJAARN CC(C)(C)c1ccc(S(=O)(=O)Oc2ccc3ccccc3c2)cc1 ZINC000002069682 563421084 /nfs/dbraw/zinc/42/10/84/563421084.db2.gz XPXRLGZJOWGGTB-UHFFFAOYSA-N 0 0 340.444 4.905 50 0 EJAARN CC(C)(C)CC(C)(C)NC(=O)CSc1nc2ccccc2s1 ZINC000002269385 563428053 /nfs/dbraw/zinc/42/80/53/563428053.db2.gz HYHXZYUFKVAWAB-UHFFFAOYSA-N 0 0 336.526 4.719 50 0 EJAARN Cc1cc(N2CCC(C)CC2)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000002353772 563430101 /nfs/dbraw/zinc/43/01/01/563430101.db2.gz DVFIYYBUUGRKNB-UHFFFAOYSA-N 0 0 340.858 4.594 50 0 EJAARN COc1ccc(Cl)cc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000006582590 563430169 /nfs/dbraw/zinc/43/01/69/563430169.db2.gz ZPAGXINVYZMDIS-UHFFFAOYSA-N 0 0 329.705 4.620 50 0 EJAARN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3Cl)cc1 ZINC000002455209 563432639 /nfs/dbraw/zinc/43/26/39/563432639.db2.gz ODBFVJIVUPXYGY-UHFFFAOYSA-N 0 0 335.794 4.750 50 0 EJAARN CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1cccs1)C2 ZINC000002499244 563434549 /nfs/dbraw/zinc/43/45/49/563434549.db2.gz NRRSVDPTUBXUEE-CYBMUJFWSA-N 0 0 345.464 4.644 50 0 EJAARN O=C(c1ccc(Cl)c(Cl)c1)c1ccccc1CN1CC=CC1 ZINC000002515913 563437080 /nfs/dbraw/zinc/43/70/80/563437080.db2.gz VTBJXCJNLDHVOM-UHFFFAOYSA-N 0 0 332.230 4.596 50 0 EJAARN CSc1ccccc1CCC(=O)c1ccc(Br)cc1 ZINC000002516608 563437279 /nfs/dbraw/zinc/43/72/79/563437279.db2.gz DDCCFGOYAYPFBS-UHFFFAOYSA-N 0 0 335.266 4.987 50 0 EJAARN Cn1nc(-c2ccc(Cl)cc2Cl)n(-c2ccccc2)c1=S ZINC000002561626 563441570 /nfs/dbraw/zinc/44/15/70/563441570.db2.gz YXICENPHRXRLLS-UHFFFAOYSA-N 0 0 336.247 4.914 50 0 EJAARN CCCC[C@@]1(c2ccccc2)NC(=S)N(c2ccc(Cl)cc2)N1 ZINC000002589549 563443582 /nfs/dbraw/zinc/44/35/82/563443582.db2.gz UEZHTRNJUJQBQN-GOSISDBHSA-N 0 0 345.899 4.582 50 0 EJAARN O=c1oc2cc(OCc3ccc(Cl)cc3)ccc2c2c1CCCC2 ZINC000002592573 563443891 /nfs/dbraw/zinc/44/38/91/563443891.db2.gz DKWSXVLMXRUVGI-UHFFFAOYSA-N 0 0 340.806 4.904 50 0 biogenic EJAARN O=C(NCc1ccco1)c1ccc(COc2cccc3ccccc32)o1 ZINC000002602542 563444447 /nfs/dbraw/zinc/44/44/47/563444447.db2.gz SSJNZRMJLAYSDU-UHFFFAOYSA-N 0 0 347.370 4.535 50 0 EJAARN Cc1ccc(/C=C2/N=C(c3cccc(F)c3)OC2=O)c2ccccc12 ZINC000002752211 563448834 /nfs/dbraw/zinc/44/88/34/563448834.db2.gz ZLYALDGKQXZQTO-XDHOZWIPSA-N 0 0 331.346 4.632 50 0 EJAARN Cc1cc(C)cc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c1 ZINC000002763148 563449714 /nfs/dbraw/zinc/44/97/14/563449714.db2.gz VYIVJABEJNJZLH-UHFFFAOYSA-N 0 0 339.366 4.867 50 0 EJAARN Cc1cc(C)cc(OCc2ccc(C(=O)Nc3ccccc3F)o2)c1 ZINC000002775461 563450450 /nfs/dbraw/zinc/45/04/50/563450450.db2.gz FCKDJEKJHDDQSI-UHFFFAOYSA-N 0 0 339.366 4.867 50 0 EJAARN CCCn1c2ccccc2c2nnc(SCc3ccccc3)nc21 ZINC000002783942 563450860 /nfs/dbraw/zinc/45/08/60/563450860.db2.gz PSKLQIRYKPYMHN-UHFFFAOYSA-N 0 0 334.448 4.682 50 0 EJAARN O=c1cc(C(F)(F)F)c2ccc(OC/C=C/c3ccccc3)cc2o1 ZINC000002811751 563451579 /nfs/dbraw/zinc/45/15/79/563451579.db2.gz QXIYECQXFSYKJD-QPJJXVBHSA-N 0 0 346.304 4.904 50 0 EJAARN CCc1ccc(N[C@H](c2ccccc2)P2(=O)OCCCO2)cc1 ZINC000002810182 563451624 /nfs/dbraw/zinc/45/16/24/563451624.db2.gz URLNWSLALFTHCI-SFHVURJKSA-N 0 0 331.352 4.990 50 0 EJAARN CSc1cccc(NC(=O)CSCc2cc(C)cc(C)c2)c1 ZINC000002816849 563452564 /nfs/dbraw/zinc/45/25/64/563452564.db2.gz KGKLPZKSERCZRJ-UHFFFAOYSA-N 0 0 331.506 4.897 50 0 EJAARN COC(=O)c1cc(-c2ccc(Cl)cc2)nc2c(C)cc(C)cc12 ZINC000002839840 563454650 /nfs/dbraw/zinc/45/46/50/563454650.db2.gz UQUIGKGZQGJTJX-UHFFFAOYSA-N 0 0 325.795 4.959 50 0 EJAARN COc1ccccc1OCCCn1cc(C(=O)C2CC2)c2ccccc21 ZINC000002846705 563455360 /nfs/dbraw/zinc/45/53/60/563455360.db2.gz YFMVIUDWABJJCF-UHFFFAOYSA-N 0 0 349.430 4.712 50 0 EJAARN CC(=O)c1cn(CCCOc2ccccc2Cl)c2ccccc12 ZINC000002845899 563455374 /nfs/dbraw/zinc/45/53/74/563455374.db2.gz HTIHHHWYWFYQHZ-UHFFFAOYSA-N 0 0 327.811 4.966 50 0 EJAARN O=C(Cc1nc(-c2ccc(Cl)cc2)cs1)Nc1ccccc1 ZINC000002861349 563456783 /nfs/dbraw/zinc/45/67/83/563456783.db2.gz IOYQQAQCMVFQLF-UHFFFAOYSA-N 0 0 328.824 4.645 50 0 EJAARN COc1ccc(-c2csc(Nc3ccccc3F)n2)cc1OC ZINC000002861991 563457064 /nfs/dbraw/zinc/45/70/64/563457064.db2.gz DPEGRJFIZAUYIC-UHFFFAOYSA-N 0 0 330.384 4.710 50 0 EJAARN COc1ccc2nc(NC(=O)c3oc4ccccc4c3C)sc2c1 ZINC000002875878 563459719 /nfs/dbraw/zinc/45/97/19/563459719.db2.gz VRLXLMSBCZLLGZ-UHFFFAOYSA-N 0 0 338.388 4.612 50 0 EJAARN CCCCc1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000002875821 563459762 /nfs/dbraw/zinc/45/97/62/563459762.db2.gz DZYXBHHANWVGSM-UHFFFAOYSA-N 0 0 335.494 4.552 50 0 EJAARN CCOc1ccccc1-c1nc(-c2cccc(Br)c2)no1 ZINC000002879506 563460482 /nfs/dbraw/zinc/46/04/82/563460482.db2.gz UTNGDOVABKIONI-UHFFFAOYSA-N 0 0 345.196 4.565 50 0 EJAARN COc1cccc(OCCCOc2c(Cl)cccc2Cl)c1 ZINC000002904708 563462769 /nfs/dbraw/zinc/46/27/69/563462769.db2.gz FFUXXTCQJHHTON-UHFFFAOYSA-N 0 0 327.207 4.850 50 0 EJAARN Cc1cccc(NC(=O)[C@H]2[C@H](c3ccccc3)C2(Cl)Cl)c1C ZINC000002924429 563463487 /nfs/dbraw/zinc/46/34/87/563463487.db2.gz SIGDMDPKDYWZES-JKSUJKDBSA-N 0 0 334.246 4.829 50 0 EJAARN CCCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000002930630 563463884 /nfs/dbraw/zinc/46/38/84/563463884.db2.gz YBJBFALWSQJKMV-UHFFFAOYSA-N 0 0 338.451 4.718 50 0 EJAARN Cc1c(Cl)cccc1NC(=O)COc1ccccc1C(C)(C)C ZINC000002933668 563463904 /nfs/dbraw/zinc/46/39/04/563463904.db2.gz JADBRHJQNQHZEX-UHFFFAOYSA-N 0 0 331.843 4.963 50 0 EJAARN C[C@H](CNC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000002941071 563463915 /nfs/dbraw/zinc/46/39/15/563463915.db2.gz GWXYVSDVNOUEMD-GOSISDBHSA-N 0 0 329.443 4.738 50 0 EJAARN CC[C@@H](C)c1ccc(OCCOCCOc2ccc(OC)cc2)cc1 ZINC000002983710 563465863 /nfs/dbraw/zinc/46/58/63/563465863.db2.gz OGCMXNUPWYATPW-QGZVFWFLSA-N 0 0 344.451 4.683 50 0 EJAARN COc1ccc(OCCCCOc2ccccc2OC(C)C)cc1 ZINC000002983728 563465867 /nfs/dbraw/zinc/46/58/67/563465867.db2.gz WGXKZKGQBVMUFM-UHFFFAOYSA-N 0 0 330.424 4.720 50 0 EJAARN COc1cc(C=O)ccc1OCCCOc1cc(C)ccc1C(C)C ZINC000002984343 563466455 /nfs/dbraw/zinc/46/64/55/563466455.db2.gz MUUSXNPXNNXPNT-UHFFFAOYSA-N 0 0 342.435 4.787 50 0 EJAARN C[C@@H](Oc1ccc(Cl)cc1Cl)c1nc(-c2ccccn2)no1 ZINC000002987933 563467465 /nfs/dbraw/zinc/46/74/65/563467465.db2.gz HFQAKYAHERVUPT-SECBINFHSA-N 0 0 336.178 4.578 50 0 EJAARN CCOc1cccc(OCCCOc2ccccc2OC(C)C)c1 ZINC000002991139 563468171 /nfs/dbraw/zinc/46/81/71/563468171.db2.gz QLMOAKGWJJAGFY-UHFFFAOYSA-N 0 0 330.424 4.720 50 0 EJAARN CCCOc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1 ZINC000002997489 563468805 /nfs/dbraw/zinc/46/88/05/563468805.db2.gz VVEUQVRWUKJUGG-UHFFFAOYSA-N 0 0 348.240 4.799 50 0 EJAARN O=C(Nc1cc2ccccc2cc1NC(=O)c1ccco1)c1ccco1 ZINC000003087253 563471727 /nfs/dbraw/zinc/47/17/27/563471727.db2.gz KRKJKBWGDZZPEP-UHFFFAOYSA-N 0 0 346.342 4.530 50 0 EJAARN O=C(Nc1nc2ccccc2s1)Nc1ccccc1C(F)(F)F ZINC000003091329 563471848 /nfs/dbraw/zinc/47/18/48/563471848.db2.gz MVUQEEFAVLNNGO-UHFFFAOYSA-N 0 0 337.326 4.959 50 0 EJAARN COc1ccc(CN(C)C(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000003178186 563475684 /nfs/dbraw/zinc/47/56/84/563475684.db2.gz HXVAOMSFJWEYBW-UHFFFAOYSA-N 0 0 347.414 4.760 50 0 EJAARN Cc1[nH]nc(-c2ccc(Cl)cc2)c1NC(=O)OCc1ccccc1 ZINC000034794232 563479598 /nfs/dbraw/zinc/47/95/98/563479598.db2.gz YIMULPBNWNKSNT-UHFFFAOYSA-N 0 0 341.798 4.787 50 0 EJAARN Cc1ccc(-c2n[nH]c(C3CC3)c2NC(=O)CC(C)(C)C)c(C)c1 ZINC000034794838 563479893 /nfs/dbraw/zinc/47/98/93/563479893.db2.gz NJRGGARNOLEVEC-UHFFFAOYSA-N 0 0 325.456 4.946 50 0 EJAARN CCCc1[nH]nc(-c2ccc(C)cc2C)c1NC(=O)Cc1ccccc1 ZINC000034794885 563479898 /nfs/dbraw/zinc/47/98/98/563479898.db2.gz ZDIFNBSKAHGHGS-UHFFFAOYSA-N 0 0 347.462 4.827 50 0 EJAARN Cc1ccc(-c2n[nH]c(C3CC3)c2NC(=O)c2ccccc2F)c(C)c1 ZINC000034794852 563479929 /nfs/dbraw/zinc/47/99/29/563479929.db2.gz GUSSUSQJJBBMCG-UHFFFAOYSA-N 0 0 349.409 4.962 50 0 EJAARN CCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)c1cccc(F)c1 ZINC000034795104 563479995 /nfs/dbraw/zinc/47/99/95/563479995.db2.gz FCVILNGKDLERGE-UHFFFAOYSA-N 0 0 341.361 4.560 50 0 EJAARN CCCc1[nH]nc(-c2ccc(F)cc2)c1NC(=O)c1cccc(F)c1 ZINC000034795361 563480291 /nfs/dbraw/zinc/48/02/91/563480291.db2.gz UHUSVRSADYJIJS-UHFFFAOYSA-N 0 0 341.361 4.560 50 0 EJAARN CCc1[nH]nc(-c2ccccc2)c1NC(=O)c1ccc(Cl)cc1 ZINC000034796834 563481109 /nfs/dbraw/zinc/48/11/09/563481109.db2.gz LECKCTAKYNSNKJ-UHFFFAOYSA-N 0 0 325.799 4.545 50 0 EJAARN Cc1ccc(OCc2noc(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000034907034 563481279 /nfs/dbraw/zinc/48/12/79/563481279.db2.gz KMTFPSJPNABFIZ-UHFFFAOYSA-N 0 0 334.297 4.643 50 0 EJAARN Cc1ccc(F)c(OCc2noc(-c3ccc4ccccc4c3)n2)c1 ZINC000034907023 563481361 /nfs/dbraw/zinc/48/13/61/563481361.db2.gz FFRFVQKGTOWYAN-UHFFFAOYSA-N 0 0 334.350 4.916 50 0 EJAARN Cc1ccc(Oc2ccc(NC(=O)NCc3cccc(C)c3)cn2)cc1 ZINC000034898345 563483264 /nfs/dbraw/zinc/48/32/64/563483264.db2.gz SDHYINGZGTWGJO-UHFFFAOYSA-N 0 0 347.418 4.812 50 0 EJAARN Cc1ccc(-c2nc3ccc(C)cn3c2NC(=O)c2ccc(F)cc2)o1 ZINC000034914885 563484260 /nfs/dbraw/zinc/48/42/60/563484260.db2.gz IUXDHCCTHIRJFE-UHFFFAOYSA-N 0 0 349.365 4.603 50 0 EJAARN CCCC[C@@H](CC)C(=O)Nc1c(-c2ccco2)nc2ccccn21 ZINC000034912623 563484824 /nfs/dbraw/zinc/48/48/24/563484824.db2.gz YFNRFRKFZRQMBY-CQSZACIVSA-N 0 0 325.412 4.749 50 0 EJAARN Cc1ccc2nc(-c3cccc(Cl)c3)c(NC(=O)C(C)(C)C)n2c1 ZINC000034913211 563485029 /nfs/dbraw/zinc/48/50/29/563485029.db2.gz CGGONSGVAVEVAP-UHFFFAOYSA-N 0 0 341.842 4.948 50 0 EJAARN Fc1ccc(CNc2nc3c(c(C(F)(F)F)n2)CCCCC3)cc1 ZINC000003896198 563490559 /nfs/dbraw/zinc/49/05/59/563490559.db2.gz MBTVCPCWGQYCTN-UHFFFAOYSA-N 0 0 339.336 4.516 50 0 EJAARN CN(c1nc(-c2ccccc2)cc(C(F)(F)F)n1)C1CCCCC1 ZINC000003894501 563490589 /nfs/dbraw/zinc/49/05/89/563490589.db2.gz ZULDULLITUQYSZ-UHFFFAOYSA-N 0 0 335.373 4.931 50 0 EJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2cccs2)on1 ZINC000003908477 563491344 /nfs/dbraw/zinc/49/13/44/563491344.db2.gz PHKNZMAORRGHOV-UHFFFAOYSA-N 0 0 338.310 4.674 50 0 EJAARN Cc1ccc(Nc2ncnc3ccc(Br)cc32)c(C)c1 ZINC000003953644 563491785 /nfs/dbraw/zinc/49/17/85/563491785.db2.gz XVNBXFKMNBXKQN-UHFFFAOYSA-N 0 0 328.213 4.753 50 0 EJAARN Cc1ccc(-c2csc3ncn(Cc4ccccc4)c(=O)c23)cc1C ZINC000004056266 563493005 /nfs/dbraw/zinc/49/30/05/563493005.db2.gz AWYKZUKWGIIURC-UHFFFAOYSA-N 0 0 346.455 4.790 50 0 EJAARN O=C(c1ccc(Br)cc1)c1cc(Cl)cc(Cl)c1 ZINC000004241523 563498462 /nfs/dbraw/zinc/49/84/62/563498462.db2.gz HSCQVAKHSDLCBA-UHFFFAOYSA-N 0 0 330.008 4.987 50 0 EJAARN COC(=O)c1sc(-c2cccs2)cc1NC(=O)c1cccs1 ZINC000004324165 563500064 /nfs/dbraw/zinc/50/00/64/563500064.db2.gz IGLJIXDJBWXGFR-UHFFFAOYSA-N 0 0 349.458 4.577 50 0 EJAARN CN1N=C2c3ccccc3CC[C@H]2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000004377755 563501785 /nfs/dbraw/zinc/50/17/85/563501785.db2.gz YFPVPRBVIUBSAI-SJLPKXTDSA-N 0 0 330.353 4.659 50 0 EJAARN c1ccc([C@@H]2[C@H]3COc4ccccc4C3=NN2c2ccccc2)cc1 ZINC000004376024 563501787 /nfs/dbraw/zinc/50/17/87/563501787.db2.gz GFQFTTIQBCTWML-SIKLNZKXSA-N 0 0 326.399 4.661 50 0 EJAARN N=C1NC(=O)/C(=C\c2ccccc2Sc2ccc(Cl)cc2)S1 ZINC000004492093 563503921 /nfs/dbraw/zinc/50/39/21/563503921.db2.gz IKLHNYHUKUXLBK-NTEUORMPSA-N 0 0 346.864 4.630 50 0 EJAARN Cc1cc2c(s1)[C@@H]1CCCC[C@@H]1O[C@@H]2c1ccc2c(c1)OCO2 ZINC000004512275 563504218 /nfs/dbraw/zinc/50/42/18/563504218.db2.gz KCUMDOBAIIFHQY-QIIPPGSGSA-N 0 0 328.433 4.931 50 0 EJAARN CCc1ccc(-c2csc(NC(=O)[C@H]3C[C@H]4CC[C@@H]3C4)n2)cc1 ZINC000004614056 563506245 /nfs/dbraw/zinc/50/62/45/563506245.db2.gz AHHKLTZSMVVPOJ-IMJJTQAJSA-N 0 0 326.465 4.747 50 0 EJAARN CC(=O)c1ccc2oc3c(ccc(N)c3C(=O)c3ccccc3)c2c1 ZINC000004818947 563512069 /nfs/dbraw/zinc/51/20/69/563512069.db2.gz ZVNVOKAKVKJDCG-UHFFFAOYSA-N 0 0 329.355 4.602 50 0 EJAARN C[C@@H](NC(=O)c1cc(Br)ccc1Cl)c1ccccc1 ZINC000004834392 563512809 /nfs/dbraw/zinc/51/28/09/563512809.db2.gz NNTIHXDYGVQYTC-SNVBAGLBSA-N 0 0 338.632 4.594 50 0 EJAARN CCOc1ccc(-c2nc3c(Cl)cc(Cl)cc3c(=O)o2)cc1 ZINC000004869293 563514558 /nfs/dbraw/zinc/51/45/58/563514558.db2.gz WEJQBWSWIXVPAD-UHFFFAOYSA-N 0 0 336.174 4.561 50 0 EJAARN CC[C@H](Oc1ccccc1)C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000004903257 563515048 /nfs/dbraw/zinc/51/50/48/563515048.db2.gz XTIBUUCCWIKJEO-ZZVMVAFTSA-N 0 0 341.495 4.565 50 0 EJAARN CC1CCN(c2ccc(NC(=O)Cc3ccccc3)cc2Cl)CC1 ZINC000004998921 563518116 /nfs/dbraw/zinc/51/81/16/563518116.db2.gz ZOHUZUMLNZNXFC-UHFFFAOYSA-N 0 0 342.870 4.758 50 0 EJAARN CN(C(=O)c1cccnc1-c1nc2ccccc2s1)c1ccccc1 ZINC000005451463 563533182 /nfs/dbraw/zinc/53/31/82/563533182.db2.gz FVMAHADNZRGZGH-UHFFFAOYSA-N 0 0 345.427 4.635 50 0 EJAARN Cc1cc(N[C@@H](C)c2ccccc2)n2ncc(-c3ccccc3)c2n1 ZINC000005576294 563540754 /nfs/dbraw/zinc/54/07/54/563540754.db2.gz FAUYABAGAKLIGZ-INIZCTEOSA-N 0 0 328.419 4.878 50 0 EJAARN O=C(NCc1ccc(Cl)cc1)C(c1ccccc1)c1ccccc1 ZINC000005602426 563542191 /nfs/dbraw/zinc/54/21/91/563542191.db2.gz ZHQYSRGOVORSHQ-UHFFFAOYSA-N 0 0 335.834 4.788 50 0 EJAARN CC(C)(C)c1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)s1 ZINC000005613797 563542937 /nfs/dbraw/zinc/54/29/37/563542937.db2.gz GHLNCGJCTQJJCH-UHFFFAOYSA-N 0 0 337.448 4.755 50 0 EJAARN S=C1N=NC(CSCc2ccccc2Cl)N1c1ccccc1 ZINC000005687919 563545891 /nfs/dbraw/zinc/54/58/91/563545891.db2.gz HVANVFGWLJJBBD-UHFFFAOYSA-N 0 0 347.896 4.643 50 0 EJAARN Cc1ccc2nc(-c3cc(NC(=O)c4ccncc4)ccc3C)oc2c1 ZINC000005747627 563548771 /nfs/dbraw/zinc/54/87/71/563548771.db2.gz RFACCZZXGYJIGS-UHFFFAOYSA-N 0 0 343.386 4.759 50 0 EJAARN Clc1ccc2c(c1)c1c(n2Cc2ccccc2)-c2n[nH]cc2CC1 ZINC000005819231 563551492 /nfs/dbraw/zinc/55/14/92/563551492.db2.gz QYPHWNJXXXTKPK-UHFFFAOYSA-N 0 0 333.822 4.832 50 0 EJAARN COc1cccc2c1OC(C)(C)N1N=C(c3ccc(Cl)cc3)C[C@H]21 ZINC000005915136 563553940 /nfs/dbraw/zinc/55/39/40/563553940.db2.gz NYSMUTYWDPMIMQ-MRXNPFEDSA-N 0 0 342.826 4.628 50 0 EJAARN Cc1nnc([C@H](C)Nc2cccc(CO[C@@H]3CCC[C@H](C)C3)c2)o1 ZINC000071902624 563555463 /nfs/dbraw/zinc/55/54/63/563555463.db2.gz WJNPRXMYDZXCND-SUNYJGFJSA-N 0 0 329.444 4.646 50 0 EJAARN CCCCC1CCC(C(=O)Nc2nnc(SCC)s2)CC1 ZINC000006244165 563562350 /nfs/dbraw/zinc/56/23/50/563562350.db2.gz GMNLZIGGFPNUFH-UHFFFAOYSA-N 0 0 327.519 4.585 50 0 EJAARN Cc1noc(C)c1CCC(=O)N1CCCCC[C@@H]1c1cccc(C)c1 ZINC000071910506 563574749 /nfs/dbraw/zinc/57/47/49/563574749.db2.gz KKUDYCSLMFDSLF-HXUWFJFHSA-N 0 0 340.467 4.676 50 0 EJAARN Clc1ccccc1COc1ccccc1CNCc1ccccn1 ZINC000006702415 563580538 /nfs/dbraw/zinc/58/05/38/563580538.db2.gz JLEIELXZFJTJTN-UHFFFAOYSA-N 0 0 338.838 4.604 50 0 EJAARN CCOc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)CCC3)cc1 ZINC000006709622 563581591 /nfs/dbraw/zinc/58/15/91/563581591.db2.gz FOIQMIVNEFIBMJ-UHFFFAOYSA-N 0 0 347.418 4.534 50 0 EJAARN O=C(Nc1ccccc1F)c1cccnc1-c1nc2ccccc2s1 ZINC000006719475 563582288 /nfs/dbraw/zinc/58/22/88/563582288.db2.gz IBQXNEMZSKAPHY-UHFFFAOYSA-N 0 0 349.390 4.750 50 0 EJAARN C[C@H]1CCCCN1C(=O)Nc1ccc(Br)cc1Cl ZINC000006731624 563584326 /nfs/dbraw/zinc/58/43/26/563584326.db2.gz RDJKHPVGIAOGJF-VIFPVBQESA-N 0 0 331.641 4.509 50 0 EJAARN Nc1sc2c(c1C(=O)Nc1cc(Cl)ccc1Cl)CCCC2 ZINC000006861820 563589045 /nfs/dbraw/zinc/58/90/45/563589045.db2.gz XBHQCKQTWWWHRQ-UHFFFAOYSA-N 0 0 341.263 4.768 50 0 EJAARN O=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 ZINC000005073631 563596495 /nfs/dbraw/zinc/59/64/95/563596495.db2.gz OZSBIYXDSAMBTI-NTEUORMPSA-N 0 0 333.771 4.720 50 0 EJAARN COc1ccc(-c2cn(-c3ccc(C)cc3)c(=S)[nH]2)cc1OC ZINC000002689234 563600789 /nfs/dbraw/zinc/60/07/89/563600789.db2.gz NAPVJQVSEVZSID-UHFFFAOYSA-N 0 0 326.421 4.528 50 0 EJAARN Cc1nn(C(=O)c2ccc(C)cc2)c(C)c1Sc1ccc(F)cc1 ZINC000002685893 563600871 /nfs/dbraw/zinc/60/08/71/563600871.db2.gz JZPVEIFKNWLIES-UHFFFAOYSA-N 0 0 340.423 4.787 50 0 EJAARN Fc1ccc(COc2ccc(Cl)cc2CNCc2ccco2)cc1 ZINC000007523700 563604222 /nfs/dbraw/zinc/60/42/22/563604222.db2.gz QMKGFNBTXGZZCU-UHFFFAOYSA-N 0 0 345.801 4.941 50 0 EJAARN CCCCCn1c2ccccc2nc1[C@H](C)NC(=O)Cc1ccccc1 ZINC000002721365 563606252 /nfs/dbraw/zinc/60/62/52/563606252.db2.gz AUNVSARGGBGUQR-KRWDZBQOSA-N 0 0 349.478 4.646 50 0 EJAARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1cccc(Br)c1 ZINC000002736730 563607555 /nfs/dbraw/zinc/60/75/55/563607555.db2.gz PRVRAVPVMZSGFJ-LLVKDONJSA-N 0 0 348.215 4.570 50 0 EJAARN Cc1nn2c(nc(C)cc2N2CCCCC2)c1-c1ccccc1Cl ZINC000007636186 563608258 /nfs/dbraw/zinc/60/82/58/563608258.db2.gz SEFURNGUYOQDQR-UHFFFAOYSA-N 0 0 340.858 4.657 50 0 EJAARN Cn1nc(C2CC2)c2c1nc(-c1ccc(F)cc1)cc2C(F)(F)F ZINC000002740457 563608292 /nfs/dbraw/zinc/60/82/92/563608292.db2.gz URFSQEGRSHYHFO-UHFFFAOYSA-N 0 0 335.304 4.671 50 0 EJAARN Cc1cc(NCC(C)C)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 ZINC000007636203 563608317 /nfs/dbraw/zinc/60/83/17/563608317.db2.gz OMBUVADTKQBPGE-UHFFFAOYSA-N 0 0 348.372 4.791 50 0 EJAARN Cc1ccc(CNC(=O)C(Cl)(c2ccccc2)c2ccccc2)cc1 ZINC000002735685 563609810 /nfs/dbraw/zinc/60/98/10/563609810.db2.gz ADWMUHFESRNOAE-UHFFFAOYSA-N 0 0 349.861 4.794 50 0 EJAARN Cc1ccc([C@@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 ZINC000002763363 563610897 /nfs/dbraw/zinc/61/08/97/563610897.db2.gz GASOQAAUMNRJGW-MRXNPFEDSA-N 0 0 325.452 4.549 50 0 EJAARN Cc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1C ZINC000002919579 563619019 /nfs/dbraw/zinc/61/90/19/563619019.db2.gz NIKLQXANSVAIHM-MSOLQXFVSA-N 0 0 338.842 4.695 50 0 EJAARN O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)C(F)(F)F ZINC000008053921 563620415 /nfs/dbraw/zinc/62/04/15/563620415.db2.gz NGQACKHVKQGDNF-UHFFFAOYSA-N 0 0 340.688 4.649 50 0 EJAARN Cc1nc(SCC(=O)N(c2ccccc2)c2ccccc2)oc1C ZINC000008333571 563627158 /nfs/dbraw/zinc/62/71/58/563627158.db2.gz NSOWMBHQBUMHMM-UHFFFAOYSA-N 0 0 338.432 4.748 50 0 EJAARN CC(C)(C)c1ccc(-c2nc3c4ccccc4[nH]c(=S)n3n2)cc1 ZINC000008559860 563632564 /nfs/dbraw/zinc/63/25/64/563632564.db2.gz AGBHWBOJDOSZFX-UHFFFAOYSA-N 0 0 334.448 4.531 50 0 EJAARN CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1Br ZINC000008723211 563637640 /nfs/dbraw/zinc/63/76/40/563637640.db2.gz VUBORGLFESYIHI-MRXNPFEDSA-N 0 0 348.240 4.554 50 0 EJAARN Cc1nn2c(ncc(-c3ccc(C)cc3)c2N)c1-c1ccc(Cl)cc1 ZINC000008730756 563638117 /nfs/dbraw/zinc/63/81/17/563638117.db2.gz XDAUMBFVFKYWRP-UHFFFAOYSA-N 0 0 348.837 4.916 50 0 EJAARN Cc1cc(-c2csc(-c3cccnc3)n2)c(C)n1Cc1ccco1 ZINC000008745506 563639132 /nfs/dbraw/zinc/63/91/32/563639132.db2.gz NMGROVXJKZKCKB-UHFFFAOYSA-N 0 0 335.432 4.932 50 0 EJAARN Cc1cc2nc(NC(=O)COc3ccc(Cl)cc3)sc2c(C)c1 ZINC000004331083 563649706 /nfs/dbraw/zinc/64/97/06/563649706.db2.gz WQLYOHCBBMUCOT-UHFFFAOYSA-N 0 0 346.839 4.584 50 0 EJAARN COc1ccc([C@@H](CC(=O)N2CCCCCC2)c2ccccc2)cc1 ZINC000012030396 563652785 /nfs/dbraw/zinc/65/27/85/563652785.db2.gz UVQSQWFIWVQTMJ-NRFANRHFSA-N 0 0 337.463 4.620 50 0 EJAARN c1csc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2)c1 ZINC000012194994 563655892 /nfs/dbraw/zinc/65/58/92/563655892.db2.gz PPEFRUATYSNLBV-YLJYHZDGSA-N 0 0 332.428 4.990 50 0 EJAARN CC[C@@H](O)c1nc2ccccc2n1CCCOc1ccccc1Cl ZINC000012418937 563660493 /nfs/dbraw/zinc/66/04/93/563660493.db2.gz QBHIXJHCBGTXCW-QGZVFWFLSA-N 0 0 344.842 4.602 50 0 EJAARN Cc1ccc(C(=O)CSc2nccc(-c3ccccc3)n2)cc1C ZINC000004339032 563662311 /nfs/dbraw/zinc/66/23/11/563662311.db2.gz JLYFHDRMKIIWPT-UHFFFAOYSA-N 0 0 334.444 4.735 50 0 EJAARN C[C@@H](Nc1ccc(-c2ccccc2)cc1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000012632384 563666398 /nfs/dbraw/zinc/66/63/98/563666398.db2.gz BWZZFAIARHLJQN-FGTMMUONSA-N 0 0 336.479 4.659 50 0 EJAARN O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1ccccc1Cl ZINC000012651404 563666825 /nfs/dbraw/zinc/66/68/25/563666825.db2.gz HVKRZSKAPAIVOY-UHFFFAOYSA-N 0 0 332.806 4.722 50 0 EJAARN c1csc(-c2nnc3sc(-c4ccc5ccccc5c4)nn32)c1 ZINC000012653735 563667141 /nfs/dbraw/zinc/66/71/41/563667141.db2.gz XUCDWINVKRGAPS-UHFFFAOYSA-N 0 0 334.429 4.735 50 0 EJAARN Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1oc2c(cc(C)cc2Cl)c1C ZINC000012715283 563669100 /nfs/dbraw/zinc/66/91/00/563669100.db2.gz GVFONFJNOYGGJB-SNVBAGLBSA-N 0 0 345.830 4.534 50 0 EJAARN CSc1ncccc1C(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000012784070 563670694 /nfs/dbraw/zinc/67/06/94/563670694.db2.gz HMPVCHWEAQLNQN-LJQANCHMSA-N 0 0 348.471 4.631 50 0 EJAARN CC(C)(C)c1cc(NC(=O)[C@H]2CC=CCC2)n(Cc2ccccc2)n1 ZINC000012797021 563673066 /nfs/dbraw/zinc/67/30/66/563673066.db2.gz VFQYJESRPVJQPF-KRWDZBQOSA-N 0 0 337.467 4.524 50 0 EJAARN CCC[C@H](C)NC(=O)c1cccnc1Sc1ccc(Cl)cc1 ZINC000012798718 563673439 /nfs/dbraw/zinc/67/34/39/563673439.db2.gz NTPZYWJSHNVUGK-LBPRGKRZSA-N 0 0 334.872 4.805 50 0 EJAARN O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(Cl)cc1F ZINC000012982228 563681577 /nfs/dbraw/zinc/68/15/77/563681577.db2.gz CWFGMZPSLCBTOG-UHFFFAOYSA-N 0 0 332.787 4.855 50 0 EJAARN Cc1cccc(NC(=O)c2ccc(OCc3cscn3)cc2)c1C ZINC000012983053 563681668 /nfs/dbraw/zinc/68/16/68/563681668.db2.gz CHIKKAHCOHKWGL-UHFFFAOYSA-N 0 0 338.432 4.591 50 0 EJAARN Cc1ccccc1[C@H](C)NC(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000012991641 563682713 /nfs/dbraw/zinc/68/27/13/563682713.db2.gz PWDGJNCFBKUQQD-INIZCTEOSA-N 0 0 345.446 4.549 50 0 EJAARN Cc1ccccc1[C@@H](C)NC(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000012991637 563682783 /nfs/dbraw/zinc/68/27/83/563682783.db2.gz PWDGJNCFBKUQQD-MRXNPFEDSA-N 0 0 345.446 4.549 50 0 EJAARN COc1ccccc1NC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000012999013 563684160 /nfs/dbraw/zinc/68/41/60/563684160.db2.gz YXLCPBSHLXREGO-CYBMUJFWSA-N 0 0 348.855 4.707 50 0 EJAARN COc1ccc(-c2ccc(CCC(=O)NCc3ccc(C)cc3)o2)cc1 ZINC000012999329 563684528 /nfs/dbraw/zinc/68/45/28/563684528.db2.gz NPZODEJHDMMKCY-UHFFFAOYSA-N 0 0 349.430 4.513 50 0 EJAARN O=C(Nc1ccc(Cl)cc1)c1ccc(OCc2cscn2)cc1 ZINC000013000376 563684549 /nfs/dbraw/zinc/68/45/49/563684549.db2.gz PUPIYOBDQOZSQD-UHFFFAOYSA-N 0 0 344.823 4.628 50 0 EJAARN O=C(Cc1ccc2ccccc2c1)NCc1cccc(C(F)(F)F)c1 ZINC000013001265 563684723 /nfs/dbraw/zinc/68/47/23/563684723.db2.gz CBNHEHONBKAJBA-UHFFFAOYSA-N 0 0 343.348 4.718 50 0 EJAARN Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(F)cc3)o2)cc1C ZINC000013001644 563684774 /nfs/dbraw/zinc/68/47/74/563684774.db2.gz ALTIWIAEVHYEHW-UHFFFAOYSA-N 0 0 338.382 4.669 50 0 EJAARN O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cccc(F)c1 ZINC000013004662 563685311 /nfs/dbraw/zinc/68/53/11/563685311.db2.gz LCFIHGDGTHDBHM-UHFFFAOYSA-N 0 0 327.355 4.510 50 0 EJAARN CC(C)c1ccc(-c2nc(C(=O)N3CCC(C)CC3)cs2)cc1 ZINC000013010587 563685354 /nfs/dbraw/zinc/68/53/54/563685354.db2.gz BVCLSSHIMYZNLG-UHFFFAOYSA-N 0 0 328.481 4.806 50 0 EJAARN Cc1onc(-c2ccccc2)c1C(=O)N[C@H](C)c1ccccc1Cl ZINC000013137705 563690860 /nfs/dbraw/zinc/69/08/60/563690860.db2.gz HCYTXADPDNOAPQ-GFCCVEGCSA-N 0 0 340.810 4.794 50 0 EJAARN FC(F)(F)c1cccc(OCCCCn2cnc3ccccc32)c1 ZINC000013281908 563693930 /nfs/dbraw/zinc/69/39/30/563693930.db2.gz AETODLCAMHDFPT-UHFFFAOYSA-N 0 0 334.341 4.914 50 0 EJAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1c(F)cccc1F ZINC000013325841 563694981 /nfs/dbraw/zinc/69/49/81/563694981.db2.gz OYGVIYRKMYNXNV-UHFFFAOYSA-N 0 0 335.659 4.889 50 0 EJAARN O=C(Nc1ccc(Cl)cc1F)c1cc(Br)cs1 ZINC000013326087 563695002 /nfs/dbraw/zinc/69/50/02/563695002.db2.gz WCJUTUXLVGLBRC-UHFFFAOYSA-N 0 0 334.597 4.555 50 0 EJAARN Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](C)c1cc(C)ccc1C ZINC000013328713 563695913 /nfs/dbraw/zinc/69/59/13/563695913.db2.gz WPPSTNZBUJROII-HNNXBMFYSA-N 0 0 334.419 4.758 50 0 EJAARN CCCCc1c(C)nc(SCc2c(F)cccc2Cl)[nH]c1=O ZINC000013463758 563698402 /nfs/dbraw/zinc/69/84/02/563698402.db2.gz LBQCJWOAYNMZDJ-UHFFFAOYSA-N 0 0 340.851 4.506 50 0 EJAARN Cc1ccc(C)c(N2CN(CCC3=CCCCC3)CNC2=S)c1 ZINC000013636080 563705559 /nfs/dbraw/zinc/70/55/59/563705559.db2.gz HHMQCIUDGARMHE-UHFFFAOYSA-N 0 0 329.513 4.517 50 0 EJAARN C[C@H](NC(=O)c1c(F)cccc1Cl)c1ccc2c(c1)CCCC2 ZINC000032739383 563720987 /nfs/dbraw/zinc/72/09/87/563720987.db2.gz BTVNQHOEPCZYHO-LBPRGKRZSA-N 0 0 331.818 4.849 50 0 EJAARN O=C(c1cc2cc(Cl)ccc2[nH]1)N(Cc1ccccc1F)C1CC1 ZINC000032759752 563726419 /nfs/dbraw/zinc/72/64/19/563726419.db2.gz PKIXAKWUOQYHIJ-UHFFFAOYSA-N 0 0 342.801 4.765 50 0 EJAARN Cc1cc(C)n(-c2ccc(NC(=O)c3c(F)cccc3Cl)cc2)n1 ZINC000032754736 563727983 /nfs/dbraw/zinc/72/79/83/563727983.db2.gz JLSIYWQAMVUEEY-UHFFFAOYSA-N 0 0 343.789 4.534 50 0 EJAARN O=C(COc1ccc2c(c1)CCCC2)Nc1cccc2ccccc21 ZINC000013897804 563728724 /nfs/dbraw/zinc/72/87/24/563728724.db2.gz IHLRIXMWLHCWRI-UHFFFAOYSA-N 0 0 331.415 4.736 50 0 EJAARN c1csc(-c2noc(CNc3ccc(OC4CCCC4)cc3)n2)c1 ZINC000032770471 563730321 /nfs/dbraw/zinc/73/03/21/563730321.db2.gz HDYLTLOXHYRXNO-UHFFFAOYSA-N 0 0 341.436 4.732 50 0 EJAARN Cc1cc(NCc2c(F)cccc2Cl)ccc1N1CCCC1=O ZINC000032770367 563730324 /nfs/dbraw/zinc/73/03/24/563730324.db2.gz MBKJAHOCCCMZOZ-UHFFFAOYSA-N 0 0 332.806 4.526 50 0 EJAARN COc1cccc(NC(=S)N[C@@H](C)c2ccc(C(C)C)cc2)c1 ZINC000013931834 563731047 /nfs/dbraw/zinc/73/10/47/563731047.db2.gz GBFKFFNDLLQLTQ-AWEZNQCLSA-N 0 0 328.481 4.866 50 0 EJAARN CC(C)CCN1C(=O)c2ccccc2[C@H]1c1cn(C)c2ccccc12 ZINC000013942382 563732106 /nfs/dbraw/zinc/73/21/06/563732106.db2.gz DVKHZNPMWLRWQJ-NRFANRHFSA-N 0 0 332.447 4.770 50 0 EJAARN COc1ccc(NC(=O)c2oc3ccccc3c2COC(C)C)cc1 ZINC000014016269 563735724 /nfs/dbraw/zinc/73/57/24/563735724.db2.gz POZQRJMBAIJVDB-UHFFFAOYSA-N 0 0 339.391 4.619 50 0 EJAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccccc1C(C)C ZINC000014022096 563736549 /nfs/dbraw/zinc/73/65/49/563736549.db2.gz PTRWYLJQSBLIPO-OAQYLSRUSA-N 0 0 348.446 4.713 50 0 EJAARN O=C(Nc1ncc(Cc2ccccc2Cl)s1)C1CCCCC1 ZINC000004504539 563737301 /nfs/dbraw/zinc/73/73/01/563737301.db2.gz VBSCOGANLRBAIP-UHFFFAOYSA-N 0 0 334.872 4.906 50 0 EJAARN CCn1c(Cc2cccs2)nnc1SCc1ccc(C)cc1 ZINC000014112936 563741794 /nfs/dbraw/zinc/74/17/94/563741794.db2.gz GKZFZESUFOECFV-UHFFFAOYSA-N 0 0 329.494 4.551 50 0 EJAARN CCc1ccc2c(CC(=O)Nc3nc4c(s3)CCCC4)coc2c1 ZINC000014136909 563744125 /nfs/dbraw/zinc/74/41/25/563744125.db2.gz SUCMITKYLNSZBZ-UHFFFAOYSA-N 0 0 340.448 4.512 50 0 EJAARN COc1ccc([C@@H](C)O)cc1CSc1nc2ccccc2s1 ZINC000014163484 563745840 /nfs/dbraw/zinc/74/58/40/563745840.db2.gz CGTNPLHASUAKMJ-LLVKDONJSA-N 0 0 331.462 4.651 50 0 EJAARN C[C@@H](Sc1nnc(NCc2ccco2)s1)c1ccc(F)cc1 ZINC000014165448 563746411 /nfs/dbraw/zinc/74/64/11/563746411.db2.gz NZFHAGBQAFVDNA-SNVBAGLBSA-N 0 0 335.429 4.736 50 0 EJAARN CC(C)c1csc(NC(=O)CCSc2ccc(F)c(F)c2)n1 ZINC000032810703 563752791 /nfs/dbraw/zinc/75/27/91/563752791.db2.gz WHFKRSDMKPOLFT-UHFFFAOYSA-N 0 0 342.436 4.666 50 0 EJAARN COc1cccc(OC)c1OCc1coc(-c2ccc(Cl)cc2)n1 ZINC000032814188 563753142 /nfs/dbraw/zinc/75/31/42/563753142.db2.gz RDQNKRPGQKEOJY-UHFFFAOYSA-N 0 0 345.782 4.591 50 0 EJAARN CC(C)c1ccc(Sc2ccc(C(=O)N3CCCC3)cn2)cc1 ZINC000032829487 563759026 /nfs/dbraw/zinc/75/90/26/563759026.db2.gz VWENFSIVOALFLA-UHFFFAOYSA-N 0 0 326.465 4.592 50 0 EJAARN O=C(Cc1coc2cc3c(cc12)CCC3)Nc1cccc2cccnc21 ZINC000014516784 563760095 /nfs/dbraw/zinc/76/00/95/563760095.db2.gz MXBNHVYNZCHABO-UHFFFAOYSA-N 0 0 342.398 4.651 50 0 EJAARN C[C@@H](NC(=O)N(C)Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000032863170 563765213 /nfs/dbraw/zinc/76/52/13/563765213.db2.gz DXVGRJSAKALXIV-CYBMUJFWSA-N 0 0 336.357 4.608 50 0 EJAARN Oc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1 ZINC000015016866 563772802 /nfs/dbraw/zinc/77/28/02/563772802.db2.gz BOURZNRLAYPTDH-FXAWDEMLSA-N 0 0 348.427 4.696 50 0 EJAARN O=C1S/C(=C/c2cccc(Cl)c2)C(=O)N1Cc1ccccc1 ZINC000015019181 563773575 /nfs/dbraw/zinc/77/35/75/563773575.db2.gz QMJIEMBQOIWVBB-XNTDXEJSSA-N 0 0 329.808 4.577 50 0 EJAARN CC(=O)Nc1nsc2nc(-c3ccccc3)cc(-c3ccccc3)c12 ZINC000015086122 563777627 /nfs/dbraw/zinc/77/76/27/563777627.db2.gz BUGDUQWONRKHSC-UHFFFAOYSA-N 0 0 345.427 4.984 50 0 EJAARN CCCOc1ccc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1 ZINC000015199630 563779668 /nfs/dbraw/zinc/77/96/68/563779668.db2.gz MEVYZWATGFOQJR-QGZVFWFLSA-N 0 0 345.439 4.581 50 0 EJAARN CCOc1ccc([C@H](C)NC(=O)N(C)[C@H](C)c2ccc(F)cc2)cc1 ZINC000032889623 563782418 /nfs/dbraw/zinc/78/24/18/563782418.db2.gz ATDZSBZISWKXQF-LSDHHAIUSA-N 0 0 344.430 4.688 50 0 EJAARN COc1ccc(Cc2nc(C)c(-c3ccccc3)s2)cc1OC ZINC000032899496 563785373 /nfs/dbraw/zinc/78/53/73/563785373.db2.gz DEBSBYCMOQENDK-UHFFFAOYSA-N 0 0 325.433 4.727 50 0 EJAARN Cc1ccc(OCCS[C@H](C)C(=O)Nc2ccccc2Cl)cc1 ZINC000015492211 563785405 /nfs/dbraw/zinc/78/54/05/563785405.db2.gz QYIKRUKPMOEHKZ-CQSZACIVSA-N 0 0 349.883 4.788 50 0 EJAARN Cc1nc2cc(N[C@@H](C)c3nnc(-c4ccc(C)cc4)o3)ccc2o1 ZINC000015501752 563785612 /nfs/dbraw/zinc/78/56/12/563785612.db2.gz JANZQKAIEXKSAK-LBPRGKRZSA-N 0 0 334.379 4.668 50 0 EJAARN COc1ccc2cc([C@H](C)C(=O)N3CCc4ccccc43)ccc2c1 ZINC000015580153 563787660 /nfs/dbraw/zinc/78/76/60/563787660.db2.gz HJFIJESOJOCDGH-HNNXBMFYSA-N 0 0 331.415 4.541 50 0 EJAARN Cc1nc(-c2ccccc2)sc1C(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000032905658 563791784 /nfs/dbraw/zinc/79/17/84/563791784.db2.gz MJLYIYWRQDWTAG-GOSISDBHSA-N 0 0 348.471 4.878 50 0 EJAARN Cc1c(C(=O)Nc2nc3c(s2)CCCC3)oc2cc(C)cc(C)c12 ZINC000015832132 563793425 /nfs/dbraw/zinc/79/34/25/563793425.db2.gz WAUDJPMBJJDZLE-UHFFFAOYSA-N 0 0 340.448 4.946 50 0 EJAARN Cc1c2ccc(C)cc2oc1C(=O)N(Cc1ccco1)c1ccccn1 ZINC000015833111 563793597 /nfs/dbraw/zinc/79/35/97/563793597.db2.gz UYZAXAPQUSIQCB-UHFFFAOYSA-N 0 0 346.386 4.885 50 0 EJAARN Cc1ccc([C@@H](NC(=O)c2cccc(Cl)c2)c2cccnc2)cc1 ZINC000015839723 563795042 /nfs/dbraw/zinc/79/50/42/563795042.db2.gz OEBGYJJPFVIZIQ-LJQANCHMSA-N 0 0 336.822 4.563 50 0 EJAARN Cc1ccc(C)c([C@@H](NC(=O)c2ccccc2C)c2cccnc2)c1 ZINC000015839812 563795096 /nfs/dbraw/zinc/79/50/96/563795096.db2.gz AOTNHWKIRWJVGG-NRFANRHFSA-N 0 0 330.431 4.526 50 0 EJAARN CCCCOc1ccc(NC(=O)c2ccc(C)cc2)c2cccnc12 ZINC000015841053 563795812 /nfs/dbraw/zinc/79/58/12/563795812.db2.gz LFWIERJZGOUKLU-UHFFFAOYSA-N 0 0 334.419 4.974 50 0 EJAARN O=C(NCCc1ccccc1)N1CCCCC[C@H]1c1cccs1 ZINC000015867126 563798644 /nfs/dbraw/zinc/79/86/44/563798644.db2.gz DLRKUUDNJOSLCQ-KRWDZBQOSA-N 0 0 328.481 4.618 50 0 EJAARN COc1ccc(-c2ccc(CCC(=O)Nc3cccc(C)c3)o2)cc1 ZINC000015867415 563798967 /nfs/dbraw/zinc/79/89/67/563798967.db2.gz MTXAXVLZOJDGGD-UHFFFAOYSA-N 0 0 335.403 4.835 50 0 EJAARN CC(CNC(=O)c1ccccc1F)(c1ccccc1)c1ccccc1 ZINC000016176796 563805219 /nfs/dbraw/zinc/80/52/19/563805219.db2.gz YMJGYUXLDZRQDQ-UHFFFAOYSA-N 0 0 333.406 4.562 50 0 EJAARN CCOc1ccccc1NC(=S)NCC12CC3CC(CC(C3)C1)C2 ZINC000016276273 563807542 /nfs/dbraw/zinc/80/75/42/563807542.db2.gz GZCFLYAYMWDUTD-UHFFFAOYSA-N 0 0 344.524 4.588 50 0 EJAARN Cc1ccc(C(F)(F)F)cc1NCc1csc([C@H]2CCCO2)n1 ZINC000134868413 563808919 /nfs/dbraw/zinc/80/89/19/563808919.db2.gz YDBWGPULRUCDNT-CQSZACIVSA-N 0 0 342.386 4.934 50 0 EJAARN Clc1cc2c(cc1CSc1cccc3cccnc31)OCO2 ZINC000016448835 563811730 /nfs/dbraw/zinc/81/17/30/563811730.db2.gz FLXKYALAIGGYON-UHFFFAOYSA-N 0 0 329.808 4.909 50 0 EJAARN Nc1c(Cl)cc(NC(=O)Cc2cccc3ccccc32)cc1Cl ZINC000016489482 563813344 /nfs/dbraw/zinc/81/33/44/563813344.db2.gz QJHAYOXZEQVSDN-UHFFFAOYSA-N 0 0 345.229 4.910 50 0 EJAARN Cc1occc1C(=O)Nc1nc(-c2ccc(C)c(C)c2)c(C)s1 ZINC000016605256 563817006 /nfs/dbraw/zinc/81/70/06/563817006.db2.gz YFVQMJZGJXPCFO-UHFFFAOYSA-N 0 0 326.421 4.889 50 0 EJAARN C[C@H](NC(=O)[C@]1(C)CC1(Cl)Cl)c1ccc(C(C)(C)C)cc1 ZINC000017067192 563831363 /nfs/dbraw/zinc/83/13/63/563831363.db2.gz OPRZMNMSKRRJBT-ZBEGNZNMSA-N 0 0 328.283 4.745 50 0 EJAARN Cc1cccc(CSc2nnc(CCC3CCCCC3)n2C)c1 ZINC000017067602 563831704 /nfs/dbraw/zinc/83/17/04/563831704.db2.gz BNJKYCPPYQDYQJ-UHFFFAOYSA-N 0 0 329.513 4.929 50 0 EJAARN CCn1c(SCc2cccc(OC)c2)nnc1C1CCCCC1 ZINC000017068141 563831967 /nfs/dbraw/zinc/83/19/67/563831967.db2.gz FLFVNLLRLNOYQG-UHFFFAOYSA-N 0 0 331.485 4.647 50 0 EJAARN Cc1cc(C)cc(NC(=O)Nc2ccn(Cc3ccccc3C)n2)c1 ZINC000017070490 563832678 /nfs/dbraw/zinc/83/26/78/563832678.db2.gz TYKQQRIGBFRUEG-UHFFFAOYSA-N 0 0 334.423 4.501 50 0 EJAARN Cc1ccc(CC(=O)Nc2ccc(Br)c(Cl)c2)cc1 ZINC000017071049 563834012 /nfs/dbraw/zinc/83/40/12/563834012.db2.gz JWJRGARWSZPPFP-UHFFFAOYSA-N 0 0 338.632 4.592 50 0 EJAARN Cc1cccc(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)c1C ZINC000017135688 563838057 /nfs/dbraw/zinc/83/80/57/563838057.db2.gz UEVQQRPTQHWHPO-UHFFFAOYSA-N 0 0 349.825 4.829 50 0 EJAARN Oc1ccc(-c2nnc(Nc3ccc(F)cc3)c3ccccc32)cc1 ZINC000017138234 563838147 /nfs/dbraw/zinc/83/81/47/563838147.db2.gz IELKXUYSHIPHHV-UHFFFAOYSA-N 0 0 331.350 4.885 50 0 EJAARN COc1cccc(/C=C2\CCC/C(=C/c3cccc(OC)c3)C2=O)c1 ZINC000000483393 563844752 /nfs/dbraw/zinc/84/47/52/563844752.db2.gz QZHAPKOWNOKGFV-MGYAYREDSA-N 0 0 334.415 4.924 50 0 EJAARN CCC[C@H]1C[C@](C)(c2csc(Nc3cccc(C)c3)n2)OC1=O ZINC000017836957 563845806 /nfs/dbraw/zinc/84/58/06/563845806.db2.gz AWWCQCQLZUISCS-SCLBCKFNSA-N 0 0 330.453 4.774 50 0 EJAARN Cc1cc(C)cc(Oc2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2)c1 ZINC000018155661 563849722 /nfs/dbraw/zinc/84/97/22/563849722.db2.gz JMCJYXSZLBMTGE-WOJBJXKFSA-N 0 0 349.430 4.775 50 0 EJAARN Cc1cccc(C)c1Oc1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000018243816 563851666 /nfs/dbraw/zinc/85/16/66/563851666.db2.gz IPUZYYXWEIVKTB-OALUTQOASA-N 0 0 347.414 4.551 50 0 EJAARN Fc1cccc(Nc2nnc(Sc3nc4ccccc4o3)s2)c1 ZINC000071950213 563852359 /nfs/dbraw/zinc/85/23/59/563852359.db2.gz VEQDNLWXGRLXOB-UHFFFAOYSA-N 0 0 344.396 4.713 50 0 EJAARN O=C1CC2(CCCCC2)Oc2c1ccc1c2CN(c2ccccc2)CO1 ZINC000020727930 563860048 /nfs/dbraw/zinc/86/00/48/563860048.db2.gz DRDATFKOUWHCLL-UHFFFAOYSA-N 0 0 349.430 4.711 50 0 EJAARN Cc1ccccc1NC(=O)CSc1ncc(-c2ccc(F)cc2)o1 ZINC000010714688 563860478 /nfs/dbraw/zinc/86/04/78/563860478.db2.gz CVNPXUMALXFBAU-UHFFFAOYSA-N 0 0 342.395 4.520 50 0 EJAARN c1csc([C@@H](NCc2ccccn2)c2ccc3c(c2)CCCC3)c1 ZINC000022745006 563864019 /nfs/dbraw/zinc/86/40/19/563864019.db2.gz ZEUBLZWKWOPMMZ-NRFANRHFSA-N 0 0 334.488 4.901 50 0 EJAARN Cc1ccc(C(=O)c2sc(Nc3ccc(C)cc3C)nc2N)cc1 ZINC000032947500 563864044 /nfs/dbraw/zinc/86/40/44/563864044.db2.gz DNOSWHYGNGGKQL-UHFFFAOYSA-N 0 0 337.448 4.625 50 0 EJAARN O=C(c1sc2ccccc2c1Cl)N1CCc2sccc2C1 ZINC000010923963 563867278 /nfs/dbraw/zinc/86/72/78/563867278.db2.gz RWFQZETYGFHSBA-UHFFFAOYSA-N 0 0 333.865 4.815 50 0 EJAARN CCc1cc2c(ncnc2Sc2ccc(C(F)(F)F)cn2)s1 ZINC000024060860 563868961 /nfs/dbraw/zinc/86/89/61/563868961.db2.gz FRVZUYFHSROPQL-UHFFFAOYSA-N 0 0 341.383 4.819 50 0 EJAARN COc1ccc([C@H]2CCCN2Cc2coc(-c3ccc(C)cc3)n2)cc1 ZINC000024961621 563878154 /nfs/dbraw/zinc/87/81/54/563878154.db2.gz LALOHAOOBCASSG-OAQYLSRUSA-N 0 0 348.446 4.996 50 0 EJAARN Cc1c(C)c([C@@H]2CCC[C@@H](c3[nH]c(C=O)c(C)c3C)C2)[nH]c1C=O ZINC000025758889 563888002 /nfs/dbraw/zinc/88/80/02/563888002.db2.gz KDNCCTGOYLFGDC-HZPDHXFCSA-N 0 0 326.440 4.643 50 0 EJAARN Cc1ccc(OCc2coc(-c3ccccc3)n2)c2c1[C@H](C)CC2=O ZINC000025823381 563888675 /nfs/dbraw/zinc/88/86/75/563888675.db2.gz KIMHVKJZYUYXOD-CQSZACIVSA-N 0 0 333.387 4.919 50 0 EJAARN Cn1cc(Cl)cc1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000025986450 563889679 /nfs/dbraw/zinc/88/96/79/563889679.db2.gz FPPYTCKENJNLGK-UHFFFAOYSA-N 0 0 326.783 4.723 50 0 EJAARN CCC(C)(C)C1CCC(NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)CC1 ZINC000026041820 563889837 /nfs/dbraw/zinc/88/98/37/563889837.db2.gz DZBDABURADZLIH-UHFFFAOYSA-N 0 0 344.499 4.567 50 0 EJAARN CC(C)CCC(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 ZINC000026256316 563890377 /nfs/dbraw/zinc/89/03/77/563890377.db2.gz OMOFAIBBPOTWOR-UHFFFAOYSA-N 0 0 332.831 4.689 50 0 EJAARN C[C@@H](N[C@@H](C)c1nnc(-c2ccccc2)o1)c1ccccc1Cl ZINC000026362653 563891200 /nfs/dbraw/zinc/89/12/00/563891200.db2.gz SJLYNPRQXHSQDD-OLZOCXBDSA-N 0 0 327.815 4.802 50 0 EJAARN CCc1cccc(C)c1NC(=O)/C=C/c1ccc(Br)cc1 ZINC000006125510 563893140 /nfs/dbraw/zinc/89/31/40/563893140.db2.gz MBEYUGHLYPHOJE-FMIVXFBMSA-N 0 0 344.252 4.972 50 0 EJAARN Cc1ccc2c(Cl)c(C(=O)Nc3onc4c3CCCC4)sc2c1 ZINC000027662939 563898397 /nfs/dbraw/zinc/89/83/97/563898397.db2.gz QSDJIWSGCSHJOV-UHFFFAOYSA-N 0 0 346.839 4.982 50 0 EJAARN O=C(Nc1cccc2ccccc21)c1cc(=O)c2cc(Cl)ccc2o1 ZINC000027664616 563898796 /nfs/dbraw/zinc/89/87/96/563898796.db2.gz IRXNOXNVOZHRIM-UHFFFAOYSA-N 0 0 349.773 4.852 50 0 EJAARN CCCCCOc1ccc(C(=O)Nc2onc3c2C[C@H](C)CC3)cc1 ZINC000027794541 563899694 /nfs/dbraw/zinc/89/96/94/563899694.db2.gz FOAWSMINMCTBSR-CQSZACIVSA-N 0 0 342.439 4.621 50 0 EJAARN Cc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)C(C)C)c1 ZINC000027793834 563899704 /nfs/dbraw/zinc/89/97/04/563899704.db2.gz KYERDBVAXNNYFS-UHFFFAOYSA-N 0 0 336.391 4.588 50 0 EJAARN Cc1cc(OCCSc2nnc(-c3ccc[nH]3)o2)ccc1C(C)C ZINC000028131150 563901401 /nfs/dbraw/zinc/90/14/01/563901401.db2.gz AKGCLPTWNZLWOL-UHFFFAOYSA-N 0 0 343.452 4.668 50 0 EJAARN CCCOc1ccccc1C(=O)N(Cc1ccco1)Cc1ccco1 ZINC000028231885 563901851 /nfs/dbraw/zinc/90/18/51/563901851.db2.gz IGRYXILABQIHIK-UHFFFAOYSA-N 0 0 339.391 4.504 50 0 EJAARN O=C(Cc1noc2ccccc12)Oc1ccccc1Cc1ccccc1 ZINC000028241063 563901937 /nfs/dbraw/zinc/90/19/37/563901937.db2.gz UNTDIZOHWPARAJ-UHFFFAOYSA-N 0 0 343.382 4.567 50 0 EJAARN O[C@H](COc1ccc(Cl)cc1)CSc1ccc(Cl)cc1 ZINC000028292815 563902273 /nfs/dbraw/zinc/90/22/73/563902273.db2.gz BALSDPGBDPKTOH-CYBMUJFWSA-N 0 0 329.248 4.525 50 0 EJAARN Cc1nn(C(C)C)c(C)c1NC(=O)Nc1cccc(COC(C)C)c1 ZINC000072274514 563902643 /nfs/dbraw/zinc/90/26/43/563902643.db2.gz WOVYLPTTZOMCBT-UHFFFAOYSA-N 0 0 344.459 4.650 50 0 EJAARN Cc1ccccc1OCCSc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000028807323 563904106 /nfs/dbraw/zinc/90/41/06/563904106.db2.gz KIAQVZLRFNXVPO-UHFFFAOYSA-N 0 0 345.855 4.605 50 0 EJAARN C[C@]1(C(=O)Nc2cccc(OC3CCCC3)c2)CC1(Cl)Cl ZINC000029070603 563904905 /nfs/dbraw/zinc/90/49/05/563904905.db2.gz ZCLJMMFEXIDGHR-OAHLLOKOSA-N 0 0 328.239 4.530 50 0 EJAARN C[C@H](NC(=O)c1csc(-c2ccco2)n1)c1cc2ccccc2o1 ZINC000029543851 563907464 /nfs/dbraw/zinc/90/74/64/563907464.db2.gz SRTXOBPPUCKDLB-NSHDSACASA-N 0 0 338.388 4.640 50 0 EJAARN C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)COc2ccc3ccccc3c2)o1 ZINC000029885427 563908777 /nfs/dbraw/zinc/90/87/77/563908777.db2.gz QQXDNBGBKZVMIL-QRWLVFNGSA-N 0 0 349.430 4.594 50 0 EJAARN O=C(Nc1ccc(SC2CCCC2)cc1)c1cc(C2CC2)on1 ZINC000030510135 563909832 /nfs/dbraw/zinc/90/98/32/563909832.db2.gz UIBHLTUZSDLNDZ-UHFFFAOYSA-N 0 0 328.437 4.839 50 0 EJAARN O=C(CSc1ccncc1)Nc1ccc(SC2CCCC2)cc1 ZINC000030510753 563909850 /nfs/dbraw/zinc/90/98/50/563909850.db2.gz GROITFPSKIZOOE-UHFFFAOYSA-N 0 0 344.505 4.847 50 0 EJAARN CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(-c2ccc(F)cc2)o1 ZINC000030542778 563909964 /nfs/dbraw/zinc/90/99/64/563909964.db2.gz MMGDGTHJQZDINH-IBGZPJMESA-N 0 0 336.366 4.672 50 0 EJAARN C[C@H](c1cc2ccccc2o1)N(C)C(=O)[C@H](C)n1cnc2ccccc21 ZINC000030606105 563910033 /nfs/dbraw/zinc/91/00/33/563910033.db2.gz KMBSWAXMFUQEEJ-CABCVRRESA-N 0 0 347.418 4.563 50 0 EJAARN O=C(CCc1nnc(-c2ccsc2)o1)Nc1cccc2ccccc21 ZINC000030806848 563910736 /nfs/dbraw/zinc/91/07/36/563910736.db2.gz UZTZMEXQZIALMA-UHFFFAOYSA-N 0 0 349.415 4.523 50 0 EJAARN O=C(c1cccc(Cl)c1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000011071523 563911082 /nfs/dbraw/zinc/91/10/82/563911082.db2.gz PKZFZGVHTVHJCI-UHFFFAOYSA-N 0 0 336.822 4.751 50 0 EJAARN Cc1cccc(/C=C\c2nc3ccccc3c(=O)n2-c2ccccc2)c1 ZINC000032639530 563914185 /nfs/dbraw/zinc/91/41/85/563914185.db2.gz IYZMYJOKUORQJH-PFONDFGASA-N 0 0 338.410 4.865 50 0 EJAARN CC(=O)c1ccc(NCc2csc(-c3ccccc3F)n2)cc1 ZINC000176897635 563914255 /nfs/dbraw/zinc/91/42/55/563914255.db2.gz NHPPRTFPEFDGKP-UHFFFAOYSA-N 0 0 326.396 4.764 50 0 EJAARN O=C(c1cc(-c2cccc(Cl)c2)on1)N1CCC[C@@H]1c1ccco1 ZINC000033012294 563914754 /nfs/dbraw/zinc/91/47/54/563914754.db2.gz UJIMZNZLELWXIH-OAHLLOKOSA-N 0 0 342.782 4.565 50 0 EJAARN CCc1onc(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(C)c(C)c1 ZINC000033087342 563915122 /nfs/dbraw/zinc/91/51/22/563915122.db2.gz PSDKRYBHURSPFL-INIZCTEOSA-N 0 0 327.428 4.531 50 0 EJAARN CCOc1ccc(OC)cc1NCc1ncc(-c2cccc(F)c2)o1 ZINC000177233619 563915421 /nfs/dbraw/zinc/91/54/21/563915421.db2.gz YVEWEDPHWLTASW-UHFFFAOYSA-N 0 0 342.370 4.500 50 0 EJAARN CCC(=O)Nc1nc2ccc(NC(=O)CC3CCCCC3)cc2s1 ZINC000032961185 563916658 /nfs/dbraw/zinc/91/66/58/563916658.db2.gz QRDLJFQDJFLAOG-UHFFFAOYSA-N 0 0 345.468 4.554 50 0 EJAARN COc1cc(C)ccc1OCCCCOc1cccc2cccnc21 ZINC000004701797 563918917 /nfs/dbraw/zinc/91/89/17/563918917.db2.gz BFCCFIURKQIQTK-UHFFFAOYSA-N 0 0 337.419 4.790 50 0 EJAARN COc1ccc(CC(=O)N(c2ccccc2)c2ccccc2)cc1OC ZINC000005009631 563919170 /nfs/dbraw/zinc/91/91/70/563919170.db2.gz PCSXWOKHIASIDR-UHFFFAOYSA-N 0 0 347.414 4.611 50 0 EJAARN CCN(CC)c1ccc(NC(=O)c2cc(C)n(C(C)C)c2C)cc1 ZINC000032978811 563920510 /nfs/dbraw/zinc/92/05/10/563920510.db2.gz APSCEBDYIFYGDT-UHFFFAOYSA-N 0 0 327.472 4.784 50 0 EJAARN Nc1cc(SCc2ccc(Cl)cc2)nc(-c2ccccc2)n1 ZINC000071770957 563920869 /nfs/dbraw/zinc/92/08/69/563920869.db2.gz FFRSJKVTOAHAPN-UHFFFAOYSA-N 0 0 327.840 4.672 50 0 EJAARN Cc1csc(-c2ccc(CNC(=O)c3cc4ccccc4[nH]3)cc2)n1 ZINC000097938068 563922672 /nfs/dbraw/zinc/92/26/72/563922672.db2.gz BIMFMJGDMJFQBX-UHFFFAOYSA-N 0 0 347.443 4.530 50 0 EJAARN Cc1c(-c2ccccc2)nn2c1nc(C)cc2NCc1ccccc1 ZINC000040216589 563922868 /nfs/dbraw/zinc/92/28/68/563922868.db2.gz DLGBJLZCUHNVRO-UHFFFAOYSA-N 0 0 328.419 4.625 50 0 EJAARN CCc1cc2c(nc(-c3ccccc3)nc2NCc2cccnc2)s1 ZINC000041090362 563924191 /nfs/dbraw/zinc/92/41/91/563924191.db2.gz JOSDFULSMXOTKJ-UHFFFAOYSA-N 0 0 346.459 4.928 50 0 EJAARN O=C(c1cc(Cl)cc(Cl)c1)c1ccccc1Br ZINC000043210119 563925272 /nfs/dbraw/zinc/92/52/72/563925272.db2.gz CASSWZUFKURMHL-UHFFFAOYSA-N 0 0 330.008 4.987 50 0 EJAARN CCCN(CCC)C(=O)CCCOc1ccc(Cl)cc1Cl ZINC000004598849 563926078 /nfs/dbraw/zinc/92/60/78/563926078.db2.gz AKZYKMPBZSHBAP-UHFFFAOYSA-N 0 0 332.271 4.801 50 0 EJAARN Cc1ccccc1CN(C)N1c2ccccc2[C@@H](c2ccccc2)C1=O ZINC000044125063 563926161 /nfs/dbraw/zinc/92/61/61/563926161.db2.gz CJYCKCJTJSRCGU-JOCHJYFZSA-N 0 0 342.442 4.521 50 0 EJAARN Cc1[nH]ccc1C(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1 ZINC000177698308 563929010 /nfs/dbraw/zinc/92/90/10/563929010.db2.gz GMUIDKHQFJPOCG-UHFFFAOYSA-N 0 0 330.309 4.660 50 0 EJAARN COc1ccc(NC(=O)N2CCS[C@H]2c2ccc(Cl)cc2)cc1 ZINC000013566823 563930244 /nfs/dbraw/zinc/93/02/44/563930244.db2.gz ZYXIOXJKVLETCB-INIZCTEOSA-N 0 0 348.855 4.628 50 0 EJAARN Cc1cc(NC(=O)c2cccc(Oc3ccccc3)c2)n(C(C)C)n1 ZINC000013656934 563931498 /nfs/dbraw/zinc/93/14/98/563931498.db2.gz WDCLWPVLUKHYRW-UHFFFAOYSA-N 0 0 335.407 4.817 50 0 EJAARN C[C@@H]1C[C@H](C)CN(c2ncnc3scc(-c4ccc(F)cc4)c32)C1 ZINC000013713336 563932073 /nfs/dbraw/zinc/93/20/73/563932073.db2.gz LEWMLPXVFIGBOQ-BETUJISGSA-N 0 0 341.455 4.980 50 0 EJAARN COc1ccccc1[C@@H](C)NCc1csc(-c2ccsc2)n1 ZINC000058004628 563936483 /nfs/dbraw/zinc/93/64/83/563936483.db2.gz HGHQCXZBPMOLDB-GFCCVEGCSA-N 0 0 330.478 4.731 50 0 EJAARN C[C@@H]1CCC[C@H](NC(=O)CSCc2ccc(F)cc2Cl)[C@@H]1C ZINC000058162726 563938500 /nfs/dbraw/zinc/93/85/00/563938500.db2.gz IVOQSVZALFSFDG-HSMVNMDESA-N 0 0 343.895 4.653 50 0 EJAARN C[C@@H](Sc1ccccc1)C(=O)Nc1cc(-n2cccc2)ccc1F ZINC000058175084 563939120 /nfs/dbraw/zinc/93/91/20/563939120.db2.gz HHHRQDWNVUIHNH-CQSZACIVSA-N 0 0 340.423 4.736 50 0 EJAARN CC(C)C[C@@H](C)N(C(=O)CC[C@@H]1CCCO1)c1ccc2[nH]ccc2c1 ZINC000058179200 563939194 /nfs/dbraw/zinc/93/91/94/563939194.db2.gz NSUGBXBZVOGISE-APWZRJJASA-N 0 0 342.483 4.895 50 0 EJAARN Cc1ncc(CN(C)C(=O)Nc2ccc(-c3ccccc3)cc2)s1 ZINC000058280439 563941485 /nfs/dbraw/zinc/94/14/85/563941485.db2.gz ZSSAMEGSDSSZSO-UHFFFAOYSA-N 0 0 337.448 4.782 50 0 EJAARN Cc1noc(C(C)C)c1C(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000058322839 563942383 /nfs/dbraw/zinc/94/23/83/563942383.db2.gz YWBRQMJBBYOYBI-UHFFFAOYSA-N 0 0 337.379 4.546 50 0 EJAARN C[C@@H](NCc1nnc(-c2ccccc2Cl)o1)c1ccccc1Cl ZINC000058342647 563942974 /nfs/dbraw/zinc/94/29/74/563942974.db2.gz GMWUXKTYCOGRER-LLVKDONJSA-N 0 0 348.233 4.894 50 0 EJAARN Cc1cccc(-c2nc(CN(C)Cc3ccc4ccccc4c3)no2)c1 ZINC000058357122 563943618 /nfs/dbraw/zinc/94/36/18/563943618.db2.gz NOLMESRZPZOJFJ-UHFFFAOYSA-N 0 0 343.430 4.830 50 0 EJAARN O=C(NCc1cc2ccccc2[nH]1)c1ccc(Oc2ccccc2)cc1 ZINC000058377983 563944233 /nfs/dbraw/zinc/94/42/33/563944233.db2.gz CBZOSYHPCXCHHN-UHFFFAOYSA-N 0 0 342.398 4.890 50 0 EJAARN Cc1nn(CC(C)C)c2sc(C(=O)NC3CCCCCC3)cc12 ZINC000058405817 563944938 /nfs/dbraw/zinc/94/49/38/563944938.db2.gz DZQHOQAZPRIUBD-UHFFFAOYSA-N 0 0 333.501 4.515 50 0 EJAARN CN(C(=O)c1[nH]c2ccccc2c1Br)C1CCCCCC1 ZINC000058412963 563945353 /nfs/dbraw/zinc/94/53/53/563945353.db2.gz SAPJOZSZLWXXFB-UHFFFAOYSA-N 0 0 349.272 4.725 50 0 EJAARN C[C@H]1c2ccsc2CCN1C(=O)c1[nH]c2ccccc2c1Cl ZINC000058417753 563945543 /nfs/dbraw/zinc/94/55/43/563945543.db2.gz GAUSDBHGAPJQJR-JTQLQIEISA-N 0 0 330.840 4.642 50 0 EJAARN Cc1cccc(C)c1-n1nnnc1CSc1ccc2ccccc2c1 ZINC000058425371 563946054 /nfs/dbraw/zinc/94/60/54/563946054.db2.gz BMYWKBPXLYZTJB-UHFFFAOYSA-N 0 0 346.459 4.725 50 0 EJAARN O=C(N[C@H]1CCc2ccccc21)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000058426711 563946130 /nfs/dbraw/zinc/94/61/30/563946130.db2.gz DEQWRTMQZOGGFY-HNNXBMFYSA-N 0 0 342.851 4.814 50 0 EJAARN COc1ccc2c(c1)CCN2C(=O)N[C@H](c1ccccc1)C(C)(C)C ZINC000058439542 563946520 /nfs/dbraw/zinc/94/65/20/563946520.db2.gz IWKSNMDIFJWUMC-LJQANCHMSA-N 0 0 338.451 4.555 50 0 EJAARN O=C(N[C@@H](c1ccccc1)C1CC1)N(Cc1ccc(F)cc1)C1CC1 ZINC000058467231 563946586 /nfs/dbraw/zinc/94/65/86/563946586.db2.gz JIZHAHFNLDHPLR-FQEVSTJZSA-N 0 0 338.426 4.651 50 0 EJAARN O=C(NCc1cc2ccccc2[nH]1)c1ccccc1Cc1ccccc1 ZINC000058903382 563947394 /nfs/dbraw/zinc/94/73/94/563947394.db2.gz LERKJNKNFIPTCR-UHFFFAOYSA-N 0 0 340.426 4.689 50 0 EJAARN CC(C)Cc1ccc([C@H](NCc2nnc(C(C)C)o2)C(C)C)cc1 ZINC000060371452 563949292 /nfs/dbraw/zinc/94/92/92/563949292.db2.gz GFDYKIUJWHQDIL-LJQANCHMSA-N 0 0 329.488 4.878 50 0 EJAARN CCN(Cc1nc2cc(F)ccc2n1CC)Cc1ccccc1C ZINC000060375423 563949888 /nfs/dbraw/zinc/94/98/88/563949888.db2.gz PODYTKOWEHFOFG-UHFFFAOYSA-N 0 0 325.431 4.526 50 0 EJAARN Cc1ncc(CNc2ccc(Cl)cc2NC(=O)c2ccco2)s1 ZINC000096427430 563952152 /nfs/dbraw/zinc/95/21/52/563952152.db2.gz ZHRNZCXUNROROF-UHFFFAOYSA-N 0 0 347.827 4.562 50 0 EJAARN Cc1coc(-c2ccc(C)c(NC(=O)N3C[C@@H]4CCCC[C@@H]4C3)c2)n1 ZINC000096471089 563954538 /nfs/dbraw/zinc/95/45/38/563954538.db2.gz HYUYUXJUGHEQGV-CALCHBBNSA-N 0 0 339.439 4.612 50 0 EJAARN CCCCn1c(=O)c2ccccc2nc1SCc1ccc(F)cc1 ZINC000060382953 563954673 /nfs/dbraw/zinc/95/46/73/563954673.db2.gz GDWFNISOKUJPSB-UHFFFAOYSA-N 0 0 342.439 4.628 50 0 EJAARN O=C(NCc1cccs1)c1cc2cn(C3CCCC3)cc2s1 ZINC000097944825 563956605 /nfs/dbraw/zinc/95/66/05/563956605.db2.gz DRXYYJFIEWDVGP-UHFFFAOYSA-N 0 0 330.478 4.809 50 0 EJAARN CCOc1ccccc1NC(=O)N1CCC[C@@H]1c1cc(C(C)C)on1 ZINC000064984735 563957708 /nfs/dbraw/zinc/95/77/08/563957708.db2.gz UOISLAAOPVWFFB-MRXNPFEDSA-N 0 0 343.427 4.566 50 0 EJAARN CCOc1ccccc1NC(=O)N1CCC[C@H]1c1cc(C(C)C)on1 ZINC000064984737 563957731 /nfs/dbraw/zinc/95/77/31/563957731.db2.gz UOISLAAOPVWFFB-INIZCTEOSA-N 0 0 343.427 4.566 50 0 EJAARN CC(C)c1cc([C@@H]2CCCN2C(=O)Nc2ccccc2Cl)on1 ZINC000064985119 563957875 /nfs/dbraw/zinc/95/78/75/563957875.db2.gz LDMQFTOMMYKCDS-HNNXBMFYSA-N 0 0 333.819 4.820 50 0 EJAARN Cc1cccc(NC(=O)N2CCC[C@@H]2c2cc(C(C)C)no2)c1C ZINC000064985011 563957878 /nfs/dbraw/zinc/95/78/78/563957878.db2.gz BHMMEGMIINUHRJ-QGZVFWFLSA-N 0 0 327.428 4.784 50 0 EJAARN CSCCc1c(-c2ccccc2)ncn1[C@@H](C)c1ncccc1C ZINC000065381062 563959053 /nfs/dbraw/zinc/95/90/53/563959053.db2.gz XAOFOCRFTRUPMF-INIZCTEOSA-N 0 0 337.492 4.768 50 0 EJAARN O[C@H](Cn1cnc(-c2ccccc2)c1-c1ccco1)c1ccccc1 ZINC000065396088 563959612 /nfs/dbraw/zinc/95/96/12/563959612.db2.gz POHZBYXPJBYCSE-GOSISDBHSA-N 0 0 330.387 4.544 50 0 EJAARN C[C@H](O)Cn1cnc(-c2ccccc2)c1-c1ccccc1-c1ccco1 ZINC000065417677 563960607 /nfs/dbraw/zinc/96/06/07/563960607.db2.gz MNHMKHJISJNACE-INIZCTEOSA-N 0 0 344.414 4.858 50 0 EJAARN Cc1ccc([C@@H](c2cccnc2)n2ccnc2-c2ccco2)c(C)c1 ZINC000067724221 563962630 /nfs/dbraw/zinc/96/26/30/563962630.db2.gz OPKXTTJVWFFQBJ-HXUWFJFHSA-N 0 0 329.403 4.793 50 0 EJAARN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CCC(F)CC1 ZINC000067851730 563962911 /nfs/dbraw/zinc/96/29/11/563962911.db2.gz VEMAPJZEHPQAHN-UHFFFAOYSA-N 0 0 342.336 4.603 50 0 EJAARN CC(=O)c1cc2c(C)c(C(=O)c3ccc(Cl)cc3)oc2cc1O ZINC000068734545 563963321 /nfs/dbraw/zinc/96/33/21/563963321.db2.gz UJMPKBAHOUUKBV-UHFFFAOYSA-N 0 0 328.751 4.534 50 0 EJAARN Cc1nc(-c2ccc(NC(=O)Nc3ccc(C)cc3Cl)cc2)no1 ZINC000033077099 563963397 /nfs/dbraw/zinc/96/33/97/563963397.db2.gz MPKMYBJCYNXICF-UHFFFAOYSA-N 0 0 342.786 4.651 50 0 EJAARN CCN(CC)c1cc(C)c2cc(NC(=O)c3ccccc3)ccc2n1 ZINC000033084699 563963418 /nfs/dbraw/zinc/96/34/18/563963418.db2.gz 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/nfs/dbraw/zinc/96/60/80/563966080.db2.gz KAXUIRKPNZPCPO-UHFFFAOYSA-N 0 0 349.478 4.826 50 0 EJAARN CCc1nc(-c2ccc(NC(=O)Nc3cccc(C)c3C)cc2)no1 ZINC000033257269 563966184 /nfs/dbraw/zinc/96/61/84/563966184.db2.gz DUNCHHAFCLLFPA-UHFFFAOYSA-N 0 0 336.395 4.560 50 0 EJAARN c1ccc2[nH]c(Nc3ccc(-c4nc5ccccc5[nH]4)cc3)nc2c1 ZINC000073636076 563966524 /nfs/dbraw/zinc/96/65/24/563966524.db2.gz KPRCPEBVFFAZJB-UHFFFAOYSA-N 0 0 325.375 4.850 50 0 EJAARN C[C@@](O)(CNc1ccc2[nH]ccc2c1)c1cccc(C(F)(F)F)c1 ZINC000097001930 563966617 /nfs/dbraw/zinc/96/66/17/563966617.db2.gz OQKHAOKVVHXROQ-QGZVFWFLSA-N 0 0 334.341 4.506 50 0 EJAARN Cc1ccc([C@H](NC(=O)c2ccccc2Br)C2CC2)cc1 ZINC000011233885 563966620 /nfs/dbraw/zinc/96/66/20/563966620.db2.gz GDZQKDLYZDNCPB-KRWDZBQOSA-N 0 0 344.252 4.639 50 0 EJAARN CCOc1ccc([C@H]2S[C@@H](C)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000000035030 563968029 /nfs/dbraw/zinc/96/80/29/563968029.db2.gz NWFNFNKXVZAPCF-KPZWWZAWSA-N 0 0 347.867 4.906 50 0 EJAARN CCOC(=O)c1c(C)n(C2CCCCC2)c2ccc(OC(C)=O)cc21 ZINC000000036601 563968349 /nfs/dbraw/zinc/96/83/49/563968349.db2.gz QNLPIKYPHVZSGH-UHFFFAOYSA-N 0 0 343.423 4.557 50 0 EJAARN O=c1oc2c(Cl)cc(Cl)cc2cc1-c1nc2ccccc2[nH]1 ZINC000000038206 563968560 /nfs/dbraw/zinc/96/85/60/563968560.db2.gz QQBULANVRUDXOX-UHFFFAOYSA-N 0 0 331.158 4.643 50 0 EJAARN CCCc1ccc2oc(C(=O)N(C)CC[C@H]3CCCCO3)c(C)c2c1 ZINC000077471751 563969927 /nfs/dbraw/zinc/96/99/27/563969927.db2.gz OFPISNNIHJFXQJ-QGZVFWFLSA-N 0 0 343.467 4.725 50 0 EJAARN Cc1c2ccc(C)c(C)c2oc1C(=O)N(C)CCOc1ccccc1 ZINC000077505807 563970111 /nfs/dbraw/zinc/97/01/11/563970111.db2.gz ZECWORULNBSPEX-UHFFFAOYSA-N 0 0 337.419 4.509 50 0 EJAARN COc1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c(OC)c1 ZINC000000045131 563970399 /nfs/dbraw/zinc/97/03/99/563970399.db2.gz VEZGPUBJXQODRV-MDWZMJQESA-N 0 0 339.435 4.653 50 0 EJAARN COc1cccc(NC(=O)C2[C@H]3CCC=CCCC=CCC[C@H]23)c1 ZINC000000049780 563970481 /nfs/dbraw/zinc/97/04/81/563970481.db2.gz VDKNMAMLBHJZFZ-NFBCFJMWSA-N 0 0 325.452 4.963 50 0 EJAARN Cc1cccc(NC(=O)Nc2ccc(Cl)cc2)c1NC(=O)C(C)C ZINC000006746203 563970638 /nfs/dbraw/zinc/97/06/38/563970638.db2.gz BJAKFNVDPXFYBY-UHFFFAOYSA-N 0 0 345.830 4.887 50 0 EJAARN CC[C@H](O)Cn1ccc(-c2cccc(-c3cnc4ccccc4c3)c2)n1 ZINC000082039467 563971948 /nfs/dbraw/zinc/97/19/48/563971948.db2.gz PLPXFQJTHUMAHT-FQEVSTJZSA-N 0 0 343.430 4.536 50 0 EJAARN O=C(c1ccc2ncsc2c1)N1CCCCC[C@@H]1c1ccco1 ZINC000082107049 563972302 /nfs/dbraw/zinc/97/23/02/563972302.db2.gz NRMNSDHKZLTAJP-OAHLLOKOSA-N 0 0 326.421 4.647 50 0 EJAARN COc1ccc(OC)c(NC(=O)/C=C\c2cccc3ccccc23)c1 ZINC000033281762 563973053 /nfs/dbraw/zinc/97/30/53/563973053.db2.gz QOUZVNDZAQNPFY-RAXLEYEMSA-N 0 0 333.387 4.509 50 0 EJAARN CC(C)(C)OC(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000083502288 563973439 /nfs/dbraw/zinc/97/34/39/563973439.db2.gz CPPNUIOGCQEMOY-UHFFFAOYSA-N 0 0 340.139 4.815 50 0 EJAARN Cc1nnc(-c2ccc(Br)cc2)n1-c1c(C)cccc1C ZINC000084847509 563973658 /nfs/dbraw/zinc/97/36/58/563973658.db2.gz BRDRVRSFOWPFQM-UHFFFAOYSA-N 0 0 342.240 4.622 50 0 EJAARN CCC[C@@H](O)c1nc2ccccc2n1CCOc1cccc(C)c1C ZINC000033317718 563973668 /nfs/dbraw/zinc/97/36/68/563973668.db2.gz SEZJDPNTBWKFFD-LJQANCHMSA-N 0 0 338.451 4.566 50 0 EJAARN Cc1nc(-c2cc3ccccc3nc2NCc2ccc(C)cc2)no1 ZINC000033318218 563973693 /nfs/dbraw/zinc/97/36/93/563973693.db2.gz TZQNOIFACAZPCM-UHFFFAOYSA-N 0 0 330.391 4.514 50 0 EJAARN O=C(/C=C\c1ccsc1)N[C@H](c1cccs1)c1ccccc1 ZINC000098053938 563974036 /nfs/dbraw/zinc/97/40/36/563974036.db2.gz ABNFYBRUJQUQOT-GIFJBRJJSA-N 0 0 325.458 4.729 50 0 EJAARN COc1ccc(NC(=O)C2=Cc3ccc(C)cc3OC=C2)cc1Cl ZINC000033324428 563974053 /nfs/dbraw/zinc/97/40/53/563974053.db2.gz BHKQDAFHGVGQQB-UHFFFAOYSA-N 0 0 341.794 4.585 50 0 EJAARN Cc1ccccc1N1C(=O)c2ccccc2/C(=C/c2cccs2)C1=O ZINC000023215770 563974258 /nfs/dbraw/zinc/97/42/58/563974258.db2.gz WAYYTCNCGCMMPH-AQTBWJFISA-N 0 0 345.423 4.784 50 0 EJAARN O=C1c2ccccc2[C@H](c2c[nH]c3ccccc32)N1Cc1ccco1 ZINC000004778865 563974287 /nfs/dbraw/zinc/97/42/87/563974287.db2.gz NFKGPYXYCXUPOZ-HXUWFJFHSA-N 0 0 328.371 4.506 50 0 EJAARN COC(=O)c1c(C)oc2ccc(OCc3cccc(Cl)c3)cc21 ZINC000000083678 563974844 /nfs/dbraw/zinc/97/48/44/563974844.db2.gz HBWOUSUEBIVNJC-UHFFFAOYSA-N 0 0 330.767 4.760 50 0 EJAARN Cc1cccc(C)c1NC(=O)CSc1cc(C)c2ccccc2n1 ZINC000000087087 563975925 /nfs/dbraw/zinc/97/59/25/563975925.db2.gz IDLUWDPSHDPUNR-UHFFFAOYSA-N 0 0 336.460 4.891 50 0 EJAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000011448235 563976264 /nfs/dbraw/zinc/97/62/64/563976264.db2.gz QGQXKBKJAKEOKF-SECBINFHSA-N 0 0 344.411 4.714 50 0 EJAARN O=C(c1ccccc1Cl)N(Cc1cccs1)c1ccc(O)cc1 ZINC000095470286 563976976 /nfs/dbraw/zinc/97/69/76/563976976.db2.gz NPXJWDKFGBOLHF-UHFFFAOYSA-N 0 0 343.835 4.954 50 0 EJAARN Cc1cc2cccc(NC(=O)N(C)[C@H](c3ccccn3)C3CC3)c2o1 ZINC000096165757 563979979 /nfs/dbraw/zinc/97/99/79/563979979.db2.gz JNRUSGVPDHDCFM-SFHVURJKSA-N 0 0 335.407 4.751 50 0 EJAARN COC(=O)Cc1cccc(-c2ccc(OCc3ccccc3)cc2)c1 ZINC000097757225 563981855 /nfs/dbraw/zinc/98/18/55/563981855.db2.gz TVENJPRMXSAHSQ-UHFFFAOYSA-N 0 0 332.399 4.648 50 0 EJAARN CN(C)C(=O)[C@H](Sc1c(Cl)cccc1Cl)c1ccccc1 ZINC000248050211 563982960 /nfs/dbraw/zinc/98/29/60/563982960.db2.gz XKOCRJUIUBWIMQ-CQSZACIVSA-N 0 0 340.275 4.915 50 0 EJAARN CC(=O)Nc1ccc([C@@H]2O[C@@H]3CCCC[C@@H]3c3sccc32)cc1 ZINC000105787731 563983874 /nfs/dbraw/zinc/98/38/74/563983874.db2.gz PZBHSMRWTXJCIK-JQHSSLGASA-N 0 0 327.449 4.852 50 0 EJAARN Cc1noc(C)c1CSc1ncnc2sc3c(c21)CC[C@@H](C)C3 ZINC000000102339 563984084 /nfs/dbraw/zinc/98/40/84/563984084.db2.gz PYLAXHMXXXYXEA-SECBINFHSA-N 0 0 345.493 4.713 50 0 EJAARN CC(=O)Nc1cccc(NC(=O)c2ccccc2-c2ccccc2)c1 ZINC000014474775 563984277 /nfs/dbraw/zinc/98/42/77/563984277.db2.gz DKUPQGDGYYXVGG-UHFFFAOYSA-N 0 0 330.387 4.564 50 0 EJAARN Cc1ccccc1CC1(Cc2ccccc2C)OC(=O)N2CCCC=C21 ZINC000072233786 563986085 /nfs/dbraw/zinc/98/60/85/563986085.db2.gz DWDOBKJJDPQOLR-UHFFFAOYSA-N 0 0 347.458 4.957 50 0 EJAARN Cc1csc([C@H]2CCCCN2C(=O)C[C@H]2CCc3ccccc32)n1 ZINC000072285665 563986326 /nfs/dbraw/zinc/98/63/26/563986326.db2.gz HQTWPCIYSFRWBY-SJLPKXTDSA-N 0 0 340.492 4.625 50 0 EJAARN Cc1nc(-c2ccc(CCNC(=O)CCC3CCCC3)cc2)cs1 ZINC000014673372 563986382 /nfs/dbraw/zinc/98/63/82/563986382.db2.gz IWLDJBUSPFTQRY-UHFFFAOYSA-N 0 0 342.508 4.748 50 0 EJAARN O=C(Nc1ncc(Cc2cccc3ccccc32)s1)c1ccco1 ZINC000000105237 563986441 /nfs/dbraw/zinc/98/64/41/563986441.db2.gz LWMSZBVBUHHJMI-UHFFFAOYSA-N 0 0 334.400 4.732 50 0 EJAARN O=C(Oc1c(Cl)cc(Cl)c2cccnc21)N1CCCCC1 ZINC000000106730 563986497 /nfs/dbraw/zinc/98/64/97/563986497.db2.gz ZLEFCCOOOKVKQS-UHFFFAOYSA-N 0 0 325.195 4.526 50 0 EJAARN Cc1cc(OC(=O)COc2cccc(Cl)c2)cc(C)c1Cl ZINC000000118119 563986708 /nfs/dbraw/zinc/98/67/08/563986708.db2.gz FIPNNWXWXXRKAX-UHFFFAOYSA-N 0 0 325.191 4.595 50 0 EJAARN CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1COc2ccccc2O1 ZINC000000138278 563987054 /nfs/dbraw/zinc/98/70/54/563987054.db2.gz OYACKNDMELGOSJ-IBGZPJMESA-N 0 0 339.435 4.712 50 0 EJAARN CCOc1ccc(-c2csc(NC(=O)c3cccs3)n2)cc1 ZINC000000143315 563987153 /nfs/dbraw/zinc/98/71/53/563987153.db2.gz KIIUHENKJQXWEP-UHFFFAOYSA-N 0 0 330.434 4.523 50 0 EJAARN CCOc1ccc(/C=C/C(=O)Nc2ccccc2CC)cc1OCC ZINC000000147411 563987234 /nfs/dbraw/zinc/98/72/34/563987234.db2.gz NGISBYBCKVBKCN-WYMLVPIESA-N 0 0 339.435 4.698 50 0 EJAARN Cc1ccc(C2=N/C(=C\c3cccc4ccccc34)C(=O)O2)cc1C ZINC000000177195 563987705 /nfs/dbraw/zinc/98/77/05/563987705.db2.gz YKFZADPPHGZPDY-MOSHPQCFSA-N 0 0 327.383 4.801 50 0 EJAARN Cc1cccc(N2C(=O)CS[C@@H]2c2ccc(Br)cc2)c1 ZINC000000179996 563987758 /nfs/dbraw/zinc/98/77/58/563987758.db2.gz OWOLCQBNOCRHRF-MRXNPFEDSA-N 0 0 348.265 4.536 50 0 EJAARN C[C@@H]1CCc2nc(NC(=O)c3cccc(C(F)(F)F)c3)sc2C1 ZINC000000180481 563987818 /nfs/dbraw/zinc/98/78/18/563987818.db2.gz QVOVDPZVCIKAGT-SECBINFHSA-N 0 0 340.370 4.539 50 0 EJAARN O=C1CS[C@@H](c2ccc(Cl)cc2)N1c1ccc(F)c(Cl)c1 ZINC000000180307 563987829 /nfs/dbraw/zinc/98/78/29/563987829.db2.gz NUZVKVLXOAWLBL-HNNXBMFYSA-N 0 0 342.222 4.911 50 0 EJAARN CCOC(=O)c1c(C)n(-c2ccc(Cl)cc2)c2ccc(OC)cc21 ZINC000000181313 563987929 /nfs/dbraw/zinc/98/79/29/563987929.db2.gz ZGFWNVLKIZVETF-UHFFFAOYSA-N 0 0 343.810 4.778 50 0 EJAARN CCOc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000000187412 563987971 /nfs/dbraw/zinc/98/79/71/563987971.db2.gz ZXJNPCPRKYVVHV-UHFFFAOYSA-N 0 0 342.395 4.600 50 0 EJAARN Cc1ccccc1C1=N/C(=C/c2ccc(Cl)cc2Cl)C(=O)O1 ZINC000000190781 563988156 /nfs/dbraw/zinc/98/81/56/563988156.db2.gz AVWRPZMWRFGDQS-OVCLIPMQSA-N 0 0 332.186 4.646 50 0 EJAARN c1ccc(C(Cc2nc(-c3ccncc3)no2)c2ccccc2)cc1 ZINC000000204121 563988346 /nfs/dbraw/zinc/98/83/46/563988346.db2.gz JYPYYFFRWXFBTB-UHFFFAOYSA-N 0 0 327.387 4.506 50 0 EJAARN Cc1cccc2nc(-c3cccc(NC(=O)c4cccs4)c3)cn21 ZINC000000203124 563988417 /nfs/dbraw/zinc/98/84/17/563988417.db2.gz VUKTYEZTRREAGR-UHFFFAOYSA-N 0 0 333.416 4.624 50 0 EJAARN Cc1nc2sccn2c1-c1csc(Nc2ccccc2C)n1 ZINC000000209876 563988481 /nfs/dbraw/zinc/98/84/81/563988481.db2.gz QVAAOUCFDMZHNM-UHFFFAOYSA-N 0 0 326.450 4.880 50 0 EJAARN Cc1ccc([C@@H]2C[C@H](c3c(F)cccc3Cl)n3ncnc3N2)cc1 ZINC000000205900 563988504 /nfs/dbraw/zinc/98/85/04/563988504.db2.gz IXWNZKFFKDUMOZ-JKSUJKDBSA-N 0 0 342.805 4.525 50 0 EJAARN CC(=O)Oc1c(Sc2ccc(Cl)cc2)c(C)nn1C(C)(C)C ZINC000000212758 563988588 /nfs/dbraw/zinc/98/85/88/563988588.db2.gz OEEBVZQIBKLBFX-UHFFFAOYSA-N 0 0 338.860 4.676 50 0 EJAARN CCSc1nc2c3ccccc3[nH]c2c(=O)n1-c1cc(C)cc(C)c1 ZINC000000214029 563988637 /nfs/dbraw/zinc/98/86/37/563988637.db2.gz TXAQOBYTCHXFNG-UHFFFAOYSA-N 0 0 349.459 4.596 50 0 EJAARN CCc1ccc(-c2ccc(C(=O)Nc3ccc(OC)cc3)cc2)nc1 ZINC000000241546 563989162 /nfs/dbraw/zinc/98/91/62/563989162.db2.gz SVESOBXROJPICS-UHFFFAOYSA-N 0 0 332.403 4.572 50 0 EJAARN O=C(NCc1cccnc1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000000248015 563989405 /nfs/dbraw/zinc/98/94/05/563989405.db2.gz MHQMTOGGKSPALR-UHFFFAOYSA-N 0 0 347.201 4.578 50 0 EJAARN Cc1nc2cc(C)ccn2c1-c1csc(Nc2cccc(O)c2)n1 ZINC000000246664 563989423 /nfs/dbraw/zinc/98/94/23/563989423.db2.gz BSRKOYHAJSBCCE-UHFFFAOYSA-N 0 0 336.420 4.524 50 0 EJAARN Cc1ccc(CSCc2ccc(C(=O)NCc3ccco3)o2)cc1 ZINC000000262932 563989758 /nfs/dbraw/zinc/98/97/58/563989758.db2.gz YXHKQMUIIHDVMK-UHFFFAOYSA-N 0 0 341.432 4.544 50 0 EJAARN COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000000265157 563989931 /nfs/dbraw/zinc/98/99/31/563989931.db2.gz CKKBSMOXOAZUIW-MDWZMJQESA-N 0 0 341.410 4.918 50 0 biogenic EJAARN Cc1ccc(NC(=S)N(Cc2ccccc2)Cc2cccnc2)cc1 ZINC000000270193 563990052 /nfs/dbraw/zinc/99/00/52/563990052.db2.gz HXDMQNKTTLYXIC-UHFFFAOYSA-N 0 0 347.487 4.789 50 0 EJAARN COc1ccc2c(c1)[C@H](OC(C)=O)C(C)(C)[C@H](c1ccc(F)cc1)N2 ZINC000000285443 563990264 /nfs/dbraw/zinc/99/02/64/563990264.db2.gz DSAQHSCMMOOKBN-OALUTQOASA-N 0 0 343.398 4.632 50 0 EJAARN Cc1nc2c(-c3ccc(Cl)cc3)cnn2c(N)c1-c1ccccc1 ZINC000000313142 563990938 /nfs/dbraw/zinc/99/09/38/563990938.db2.gz ZOUFBJMGJHLMEH-UHFFFAOYSA-N 0 0 334.810 4.607 50 0 EJAARN COc1ccc(-c2nc3ncccn3c2Nc2c(C)cccc2C)cc1 ZINC000000320590 563991086 /nfs/dbraw/zinc/99/10/86/563991086.db2.gz MQUMQPUFSFMANU-UHFFFAOYSA-N 0 0 344.418 4.765 50 0 EJAARN Cc1ccc([C@H]2SCCN2C(=O)Nc2cccc(F)c2)c(C)c1 ZINC000000329503 563991264 /nfs/dbraw/zinc/99/12/64/563991264.db2.gz NRVNWEUEZFLPMX-QGZVFWFLSA-N 0 0 330.428 4.722 50 0 EJAARN CC[C@@H]1C[C@@](C)(c2csc(Nc3ccccc3Cl)n2)OC1=O ZINC000000330710 563991283 /nfs/dbraw/zinc/99/12/83/563991283.db2.gz KLCFJWHXZMHIJJ-HWPZZCPQSA-N 0 0 336.844 4.728 50 0 EJAARN CCOc1cccc(C(=O)Nc2nc3ccc(Cl)cc3s2)c1 ZINC000000342220 563991351 /nfs/dbraw/zinc/99/13/51/563991351.db2.gz JZLPVNHDVNDOIU-UHFFFAOYSA-N 0 0 332.812 4.601 50 0 EJAARN O=C(CCc1ccccc1)NN1c2ccccc2CCc2ccccc21 ZINC000000348153 563991466 /nfs/dbraw/zinc/99/14/66/563991466.db2.gz XWNQHSAYPOJWQH-UHFFFAOYSA-N 0 0 342.442 4.587 50 0 EJAARN CCC(CC)C(=O)Nc1ccc(C(=O)Nc2ccc(C)cc2C)cc1 ZINC000000365478 563991699 /nfs/dbraw/zinc/99/16/99/563991699.db2.gz SDPCUBZVRLSKFI-UHFFFAOYSA-N 0 0 338.451 4.930 50 0 EJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC000000385242 563991978 /nfs/dbraw/zinc/99/19/78/563991978.db2.gz NPZNMNGHSHHBPY-UHFFFAOYSA-N 0 0 333.231 4.977 50 0 EJAARN Cc1ccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1 ZINC000000387055 563992019 /nfs/dbraw/zinc/99/20/19/563992019.db2.gz AFCDBROLFOELAV-UHFFFAOYSA-N 0 0 333.416 4.624 50 0 EJAARN O=C1[C@@H](Sc2ccccc2)[C@H](c2ccccc2)N1Cc1ccccc1 ZINC000000386228 563992031 /nfs/dbraw/zinc/99/20/31/563992031.db2.gz OZUQIUMUEYDFKV-SFTDATJTSA-N 0 0 345.467 4.931 50 0 EJAARN Cc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccccc2F)cc1 ZINC000004854271 563992106 /nfs/dbraw/zinc/99/21/06/563992106.db2.gz FAPYISIJHMBQLX-FQEVSTJZSA-N 0 0 349.409 4.573 50 0 EJAARN O=C(Nc1ccc(N2CCCCC2)cc1)c1cccc(OC(F)F)c1 ZINC000004902375 563992359 /nfs/dbraw/zinc/99/23/59/563992359.db2.gz XFNXFSZUZZISIJ-UHFFFAOYSA-N 0 0 346.377 4.531 50 0 EJAARN Cc1cccc(NC(=O)c2cc3c(s2)-c2c(C)cccc2OC3)n1 ZINC000004909404 563992388 /nfs/dbraw/zinc/99/23/88/563992388.db2.gz FJDIANMSTKKRQR-UHFFFAOYSA-N 0 0 336.416 4.572 50 0 EJAARN Cc1cc(C(=O)N(c2nc3ccccc3s2)c2ccccc2C)on1 ZINC000061046993 563992428 /nfs/dbraw/zinc/99/24/28/563992428.db2.gz UTKZBAIAJBVINV-UHFFFAOYSA-N 0 0 349.415 4.880 50 0 EJAARN Cc1ccccc1N[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000004960683 563993442 /nfs/dbraw/zinc/99/34/42/563993442.db2.gz VJNJPWSGYGHKQV-NRFANRHFSA-N 0 0 328.415 4.762 50 0 EJAARN CCCSC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1 ZINC000033606880 563993484 /nfs/dbraw/zinc/99/34/84/563993484.db2.gz MKBVAAXBWUPFRN-GHRIWEEISA-N 0 0 340.423 4.713 50 0 EJAARN Cc1ccccc1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000000387057 563993538 /nfs/dbraw/zinc/99/35/38/563993538.db2.gz VESZTSUVRXSMCB-UHFFFAOYSA-N 0 0 333.416 4.624 50 0 EJAARN Cc1cc(F)ccc1-c1ccc(CNc2ccc([S@](C)=O)cc2)o1 ZINC000121569199 563994169 /nfs/dbraw/zinc/99/41/69/563994169.db2.gz DVEUSNYNKYZHNG-XMMPIXPASA-N 0 0 343.423 4.744 50 0 EJAARN Cc1cc(F)ccc1-c1ccc(CNc2ccc([S@@](C)=O)cc2)o1 ZINC000121569353 563994171 /nfs/dbraw/zinc/99/41/71/563994171.db2.gz DVEUSNYNKYZHNG-DEOSSOPVSA-N 0 0 343.423 4.744 50 0 EJAARN CC(C)c1oc([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2C)nc1-c1ccccc1 ZINC000248194160 563995552 /nfs/dbraw/zinc/99/55/52/563995552.db2.gz NRYXUHHABNOEPA-OIISXLGYSA-N 0 0 338.451 4.785 50 0 EJAARN CCOC(=O)c1c(C)oc2ccc(OCc3ccccc3F)cc21 ZINC000000407133 563997621 /nfs/dbraw/zinc/99/76/21/563997621.db2.gz XIHRIUXMJXYVLJ-UHFFFAOYSA-N 0 0 328.339 4.636 50 0 EJAARN O=C1CS[C@H](c2ccc(F)c(F)c2)N1c1ccc2ccccc2c1 ZINC000000423874 563998376 /nfs/dbraw/zinc/99/83/76/563998376.db2.gz BIQKSUUHEWWCFC-LJQANCHMSA-N 0 0 341.382 4.897 50 0 EJAARN O=C1CS[C@@H](c2cccc(C(F)(F)F)c2)N1c1cccc(F)c1 ZINC000000423894 563998377 /nfs/dbraw/zinc/99/83/77/563998377.db2.gz RWMVRCDUOVHJHY-HNNXBMFYSA-N 0 0 341.329 4.623 50 0 EJAARN COc1cccc2cc(-c3nc(-c4ccc(C)cc4)cs3)c(=O)oc21 ZINC000000424865 563998471 /nfs/dbraw/zinc/99/84/71/563998471.db2.gz LJVHAYHJOYNNCF-UHFFFAOYSA-N 0 0 349.411 4.901 50 0 EJAARN CCn1c(SCc2ccccc2Cl)nnc1-c1ccc(O)cc1 ZINC000000422578 563998527 /nfs/dbraw/zinc/99/85/27/563998527.db2.gz BNUYFRYRMNBPIS-UHFFFAOYSA-N 0 0 345.855 4.616 50 0 EJAARN Oc1ccccc1-c1nnc(SCc2c(F)cccc2Cl)o1 ZINC000000422727 563998544 /nfs/dbraw/zinc/99/85/44/563998544.db2.gz HZUSFTRJHVLESV-UHFFFAOYSA-N 0 0 336.775 4.527 50 0 EJAARN Cc1cccc(N(C)C(=O)c2cc3cc4ccc(C)cc4nc3o2)c1 ZINC000000429016 563998929 /nfs/dbraw/zinc/99/89/29/563998929.db2.gz FCUROCKDUURPEC-UHFFFAOYSA-N 0 0 330.387 4.874 50 0 EJAARN Cc1ccccc1Nc1c(-c2c[nH]c3ccccc23)nc2ncccn21 ZINC000000428791 563998936 /nfs/dbraw/zinc/99/89/36/563998936.db2.gz FYPIHXXJMNLDDQ-UHFFFAOYSA-N 0 0 339.402 4.930 50 0 EJAARN CCCn1cc(SCC(=O)NC2CCCCC2)c2ccccc21 ZINC000000425882 563998985 /nfs/dbraw/zinc/99/89/85/563998985.db2.gz PBBUGRIUGCVGOG-UHFFFAOYSA-N 0 0 330.497 4.592 50 0 EJAARN O=C1OC(c2cccc3ccccc32)=N/C1=C/c1cccc(Cl)c1 ZINC000000430409 563999370 /nfs/dbraw/zinc/99/93/70/563999370.db2.gz NASDZCGEFHEGMI-LDADJPATSA-N 0 0 333.774 4.838 50 0 EJAARN CCOc1ccc(-c2nc(-c3ccc(Br)cc3)no2)cc1 ZINC000000430492 563999382 /nfs/dbraw/zinc/99/93/82/563999382.db2.gz KOJIJCRXVAEIDP-UHFFFAOYSA-N 0 0 345.196 4.565 50 0 EJAARN Cc1cccc(NC(=O)c2ccccc2C(=O)Nc2cccc(C)c2)c1 ZINC000000437130 563999485 /nfs/dbraw/zinc/99/94/85/563999485.db2.gz SXLQSSWDESUEFW-UHFFFAOYSA-N 0 0 344.414 4.808 50 0 EJAARN CC[C@@H](NC(=O)Nc1cc(OC)ccc1OC)c1ccc(Cl)cc1 ZINC000013329027 563999733 /nfs/dbraw/zinc/99/97/33/563999733.db2.gz HGVORRYUCRUFBJ-OAHLLOKOSA-N 0 0 348.830 4.630 50 0 EJAARN O=C(Oc1ccccc1Br)c1ccc(Cl)cc1Cl ZINC000000259073 564000142 /nfs/dbraw/zinc/00/01/42/564000142.db2.gz OXZGMGUWAJCKLN-UHFFFAOYSA-N 0 0 346.007 4.975 50 0 EJAARN Cc1ccc(C(=O)CSc2ncnc3c4ccccc4oc32)cc1 ZINC000005187946 564000244 /nfs/dbraw/zinc/00/02/44/564000244.db2.gz SOBVRKBDPDZOFA-UHFFFAOYSA-N 0 0 334.400 4.659 50 0 EJAARN CCOC(=O)c1ccc(Nc2nc(C)nc3c4ccccc4oc32)cc1 ZINC000005191359 564000253 /nfs/dbraw/zinc/00/02/53/564000253.db2.gz CUYDINGTGOLRNZ-UHFFFAOYSA-N 0 0 347.374 4.605 50 0 EJAARN CCn1c(-c2cc(NC(=O)C3CCCCC3)n[nH]2)cc2ccccc21 ZINC000075558611 564000461 /nfs/dbraw/zinc/00/04/61/564000461.db2.gz KQVGRGQBSRCMMV-UHFFFAOYSA-N 0 0 336.439 4.570 50 0 EJAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3CC(C)C)cc1 ZINC000005218326 564001138 /nfs/dbraw/zinc/00/11/38/564001138.db2.gz PBZXUXBYDBXDLZ-PZJWPPBQSA-N 0 0 336.435 4.611 50 0 EJAARN COc1ccc(-c2noc(/C=C\c3ccccc3Cl)n2)cc1OC ZINC000033936195 564001197 /nfs/dbraw/zinc/00/11/97/564001197.db2.gz IHRBRVHREYJFGX-NTMALXAHSA-N 0 0 342.782 4.578 50 0 EJAARN Fc1ccc(-c2noc(-c3cc(Cl)nc4ccccc43)n2)cc1 ZINC000040478852 564001290 /nfs/dbraw/zinc/00/12/90/564001290.db2.gz GRIBGHHUSHQNRP-UHFFFAOYSA-N 0 0 325.730 4.744 50 0 EJAARN COc1cccc2c1OC1(CCCC1)N1N=C(c3ccccc3)C[C@@H]21 ZINC000005235422 564001412 /nfs/dbraw/zinc/00/14/12/564001412.db2.gz JMLHZBYCPQEOFH-SFHVURJKSA-N 0 0 334.419 4.509 50 0 EJAARN COc1cccc(-c2nc3c(c(SC(C)C)n2)COC(C)(C)C3)c1 ZINC000005244908 564001547 /nfs/dbraw/zinc/00/15/47/564001547.db2.gz BQKCWQINZBZYLB-UHFFFAOYSA-N 0 0 344.480 4.504 50 0 EJAARN Cn1cc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc21 ZINC000005265804 564001739 /nfs/dbraw/zinc/00/17/39/564001739.db2.gz HZMQMLPRWGYJDZ-UHFFFAOYSA-N 0 0 349.312 4.721 50 0 EJAARN Cc1ccc(C)c(-c2csc(NC(=O)Cc3ccc(F)cc3)n2)c1 ZINC000005268292 564001955 /nfs/dbraw/zinc/00/19/55/564001955.db2.gz ZCXRLBMZAHLUJB-UHFFFAOYSA-N 0 0 340.423 4.747 50 0 EJAARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2OC)N3)C1 ZINC000006358123 564002035 /nfs/dbraw/zinc/00/20/35/564002035.db2.gz BKKJRRONZHPQLX-PIGZYNQJSA-N 0 0 342.464 4.701 50 0 EJAARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2OC)N3)C1 ZINC000006358117 564002055 /nfs/dbraw/zinc/00/20/55/564002055.db2.gz BKKJRRONZHPQLX-DIFFPNOSSA-N 0 0 342.464 4.701 50 0 EJAARN CSc1cccc2sc(NC(=O)c3c(F)cccc3F)nc21 ZINC000005299262 564002509 /nfs/dbraw/zinc/00/25/09/564002509.db2.gz GIHOGAZYRQNDOJ-UHFFFAOYSA-N 0 0 336.388 4.549 50 0 EJAARN CSc1ccc(C(=O)Nc2nc3c(cccc3SC)s2)cc1 ZINC000005299299 564002516 /nfs/dbraw/zinc/00/25/16/564002516.db2.gz XRUAQFSBOHJUMT-UHFFFAOYSA-N 0 0 346.502 4.992 50 0 EJAARN CCCC(=O)N(Cc1ccccc1)c1nc2ccc(OC)cc2s1 ZINC000005299715 564002549 /nfs/dbraw/zinc/00/25/49/564002549.db2.gz DDLRNQVRRDGQFV-UHFFFAOYSA-N 0 0 340.448 4.638 50 0 EJAARN Cc1nn2c([nH]c(C)c(Cc3ccccc3)c2=S)c1-c1ccccc1 ZINC000005323009 564002869 /nfs/dbraw/zinc/00/28/69/564002869.db2.gz NBJKSSKPHBACKU-UHFFFAOYSA-N 0 0 345.471 4.893 50 0 EJAARN Fc1ccc(CSc2nnc(-c3cccs3)n2C2CC2)cc1 ZINC000005357824 564002912 /nfs/dbraw/zinc/00/29/12/564002912.db2.gz JUVWNVKPRWCWMW-UHFFFAOYSA-N 0 0 331.441 4.773 50 0 EJAARN c1nnc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2)o1 ZINC000005429393 564003917 /nfs/dbraw/zinc/00/39/17/564003917.db2.gz ABWOSBGKYGWGDN-UHFFFAOYSA-N 0 0 328.371 4.983 50 0 EJAARN O=C(NCc1ccccc1Cl)C1c2ccccc2Oc2ccccc21 ZINC000002633860 564003920 /nfs/dbraw/zinc/00/39/20/564003920.db2.gz BBDOJDCAIPKBBX-UHFFFAOYSA-N 0 0 349.817 4.894 50 0 EJAARN COc1ccc2oc(C(=O)N[C@H]3CCCc4ccccc43)c(C)c2c1 ZINC000005442779 564004047 /nfs/dbraw/zinc/00/40/47/564004047.db2.gz NTSGVDGPBBYLSK-SFHVURJKSA-N 0 0 335.403 4.557 50 0 EJAARN COCCCCN(Cc1ccccc1)C(=O)Nc1c(C)cccc1C ZINC000062247330 564004048 /nfs/dbraw/zinc/00/40/48/564004048.db2.gz IGJNEEOFZZQQQB-UHFFFAOYSA-N 0 0 340.467 4.764 50 0 EJAARN Cc1cc(C(=O)Nc2ncc(Cc3cccc(C)c3)s2)c(C)s1 ZINC000007988449 564004408 /nfs/dbraw/zinc/00/44/08/564004408.db2.gz QHWSGHCJRCGIQA-UHFFFAOYSA-N 0 0 342.489 4.973 50 0 EJAARN Cc1ccc(CNc2nc(-c3cccnc3)nc3ccccc32)cc1 ZINC000003338452 564004446 /nfs/dbraw/zinc/00/44/46/564004446.db2.gz PZCONINXAZYHQX-UHFFFAOYSA-N 0 0 326.403 4.612 50 0 EJAARN Cc1cc2occ(CC(=O)NCc3cccs3)c2cc1C(C)C ZINC000003352439 564004504 /nfs/dbraw/zinc/00/45/04/564004504.db2.gz SFBPDXDLVQFAAQ-UHFFFAOYSA-N 0 0 327.449 4.785 50 0 EJAARN CC(=O)NCC[C@@H]1[C@H](c2c(C)[nH]c3c2ccc2ccccc32)C1(C)C ZINC000005477731 564004531 /nfs/dbraw/zinc/00/45/31/564004531.db2.gz LXJVNXPZQCZABX-UYAOXDASSA-N 0 0 334.463 4.895 50 0 EJAARN CCc1c(C)c2ccc3c(c2oc1=O)CN(c1cc(C)cc(C)c1)CO3 ZINC000005478431 564004555 /nfs/dbraw/zinc/00/45/55/564004555.db2.gz PQGSOSUMKDSSMY-UHFFFAOYSA-N 0 0 349.430 4.637 50 0 EJAARN CN1CCN(c2nc(-c3ccc(C4CCCCC4)cc3)cs2)CC1 ZINC000003449209 564004566 /nfs/dbraw/zinc/00/45/66/564004566.db2.gz WMAKOJDYSMMSOJ-UHFFFAOYSA-N 0 0 341.524 4.610 50 0 EJAARN CCc1cccc(NC(=O)CSc2nc3ccccc3s2)c1 ZINC000003503840 564004579 /nfs/dbraw/zinc/00/45/79/564004579.db2.gz ZFMLZVAKCIMTBF-UHFFFAOYSA-N 0 0 328.462 4.590 50 0 EJAARN CC(C)c1ccc(C(=O)CSc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000005522900 564005057 /nfs/dbraw/zinc/00/50/57/564005057.db2.gz JJQMEZSXRZXDMZ-UHFFFAOYSA-N 0 0 337.448 4.570 50 0 EJAARN Cc1cc(Cl)ccc1OC(F)(F)C(=O)Nc1ccc(F)cc1F ZINC000005535319 564005162 /nfs/dbraw/zinc/00/51/62/564005162.db2.gz FBWFLBFDCDNWDT-UHFFFAOYSA-N 0 0 347.695 4.537 50 0 EJAARN O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)C1CCC1 ZINC000005579035 564005810 /nfs/dbraw/zinc/00/58/10/564005810.db2.gz HPMXNVYCEQKMFC-UHFFFAOYSA-N 0 0 341.263 4.779 50 0 EJAARN CCOc1ccccc1OCCCC(=O)Nc1ccc(Cl)cc1C ZINC000005577922 564005842 /nfs/dbraw/zinc/00/58/42/564005842.db2.gz UQGDALPEGVPHIX-UHFFFAOYSA-N 0 0 347.842 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327.430 4.595 50 0 EJAARN Nc1ccccc1S[C@H](CC(=O)c1cccs1)c1cccnc1 ZINC000002608251 564013163 /nfs/dbraw/zinc/01/31/63/564013163.db2.gz QALYPPXKBFONLL-GOSISDBHSA-N 0 0 340.473 4.832 50 0 EJAARN CCCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000001807983 564013167 /nfs/dbraw/zinc/01/31/67/564013167.db2.gz YAMZKARZOSRXMG-LFYBBSHMSA-N 0 0 343.810 4.559 50 0 EJAARN CCOc1nc(C)nc2cc(-c3ccccc3)n(Cc3ccccc3)c21 ZINC000000478590 564013179 /nfs/dbraw/zinc/01/31/79/564013179.db2.gz ZZWRJAPMNKVWAF-UHFFFAOYSA-N 0 0 343.430 4.854 50 0 EJAARN Cc1c(C(=O)OCCC(C)C)c2cc(O)ccc2n1-c1ccccc1 ZINC000000478506 564013182 /nfs/dbraw/zinc/01/31/82/564013182.db2.gz AOTKIMNDHKAPHV-UHFFFAOYSA-N 0 0 337.419 4.847 50 0 EJAARN CCCCc1ccc(NS(=O)(=O)c2cccc3ccccc32)cc1 ZINC000002841407 564013448 /nfs/dbraw/zinc/01/34/48/564013448.db2.gz KRPLFVMVFYXJKX-UHFFFAOYSA-N 0 0 339.460 4.983 50 0 EJAARN CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1C ZINC000003231042 564013589 /nfs/dbraw/zinc/01/35/89/564013589.db2.gz 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/nfs/dbraw/zinc/02/04/45/564020445.db2.gz FFWIRURMADEJEZ-UHFFFAOYSA-N 0 0 334.419 4.671 50 0 EJAARN Cc1ccc([C@H]2N3CCCN3C(=O)N2c2cccc3ccccc32)cc1 ZINC000000519964 564020565 /nfs/dbraw/zinc/02/05/65/564020565.db2.gz WPXWNTNVDPTVQM-NRFANRHFSA-N 0 0 343.430 4.710 50 0 EJAARN Cc1ccc2cccc(NC(=O)c3ccc(Br)cc3)c2n1 ZINC000013946230 564020751 /nfs/dbraw/zinc/02/07/51/564020751.db2.gz AFSOHMBVONVFNK-UHFFFAOYSA-N 0 0 341.208 4.558 50 0 EJAARN Cc1ccc(Cn2c(-c3ccco3)nc3nc4ccccc4nc32)cc1 ZINC000000521391 564021032 /nfs/dbraw/zinc/02/10/32/564021032.db2.gz ZHXAYKXTMXGZEU-UHFFFAOYSA-N 0 0 340.386 4.596 50 0 EJAARN CC(C)C(=O)Nc1c(-c2ccc3ccccc3c2)nc2ccccn21 ZINC000000521919 564021083 /nfs/dbraw/zinc/02/10/83/564021083.db2.gz NFXCVCPFMPRCRF-UHFFFAOYSA-N 0 0 329.403 4.749 50 0 EJAARN c1csc(-c2nc3nc4ccccc4nc3n2-c2ccccc2)c1 ZINC000000537398 564022028 /nfs/dbraw/zinc/02/20/28/564022028.db2.gz KMIBEKOGGIPZTR-UHFFFAOYSA-N 0 0 328.400 4.697 50 0 EJAARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)Nc1ccc(Cl)cc1 ZINC000103439129 564022393 /nfs/dbraw/zinc/02/23/93/564022393.db2.gz NAUNYHMPZOVZLL-SFQUDFHCSA-N 0 0 326.827 4.590 50 0 EJAARN Fc1ccc(-c2nc3nc4ccccc4nc3n2C2CCCC2)cc1 ZINC000000541843 564022496 /nfs/dbraw/zinc/02/24/96/564022496.db2.gz IZNPKORBUUUUMU-UHFFFAOYSA-N 0 0 332.382 4.901 50 0 EJAARN Cc1nn(-c2ccccc2C)c2sc(C(=O)Nc3ccccc3)cc12 ZINC000000543589 564022558 /nfs/dbraw/zinc/02/25/58/564022558.db2.gz SFBYSKXSHPXMES-UHFFFAOYSA-N 0 0 347.443 4.956 50 0 EJAARN Clc1ccc([C@H]2CC(c3ccc(Br)cc3)=NO2)cc1 ZINC000000545248 564022667 /nfs/dbraw/zinc/02/26/67/564022667.db2.gz JDCIEBBDAPRBOG-OAHLLOKOSA-N 0 0 336.616 4.968 50 0 EJAARN Fc1ccc2[nH]c3c(ncnc3NCc3ccccc3Cl)c2c1 ZINC000000547042 564022729 /nfs/dbraw/zinc/02/27/29/564022729.db2.gz NFWUXGCIVALIDU-UHFFFAOYSA-N 0 0 326.762 4.516 50 0 EJAARN COc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)cc1 ZINC000000563575 564023300 /nfs/dbraw/zinc/02/33/00/564023300.db2.gz JSYMXYYREKIFPR-UHFFFAOYSA-N 0 0 342.395 4.519 50 0 EJAARN CCCC(=O)Nc1cccc(NC(=O)c2ccc(C)cc2Cl)c1 ZINC000000570030 564023496 /nfs/dbraw/zinc/02/34/96/564023496.db2.gz BRUWEXLTOAEEEX-UHFFFAOYSA-N 0 0 330.815 4.639 50 0 EJAARN O=C(CCCc1c[nH]c2ccccc12)Nc1cccc2ncccc21 ZINC000015980038 564024420 /nfs/dbraw/zinc/02/44/20/564024420.db2.gz NVHRQSUIDDQMFY-UHFFFAOYSA-N 0 0 329.403 4.678 50 0 EJAARN CCN(C(=O)c1ccc(-c2nc3ccccc3s2)o1)C1CCCC1 ZINC000047216617 564025930 /nfs/dbraw/zinc/02/59/30/564025930.db2.gz GKFHBKAAFCYDIQ-UHFFFAOYSA-N 0 0 340.448 4.961 50 0 EJAARN CC(=O)Nc1cccc(NC(=O)N(C)[C@H](C)c2ccccc2Cl)c1 ZINC000047388939 564026210 /nfs/dbraw/zinc/02/62/10/564026210.db2.gz MEOUSRVENIOOEA-GFCCVEGCSA-N 0 0 345.830 4.523 50 0 EJAARN CC(C)(C)c1cnnn1-c1ccc(/C=C/c2ccc(C=O)cc2)cc1 ZINC000003201224 564026220 /nfs/dbraw/zinc/02/62/20/564026220.db2.gz ZEUBVMQATGCHLE-SNAWJCMRSA-N 0 0 331.419 4.548 50 0 EJAARN CC(C)=C[C@@H]1[C@@H](C(=O)N[C@H](c2ccccc2)c2ccncc2)C1(C)C ZINC000107488465 564026939 /nfs/dbraw/zinc/02/69/39/564026939.db2.gz GJHNJNQPARNKHX-HSALFYBXSA-N 0 0 334.463 4.526 50 0 EJAARN C[C@H](c1cccs1)[S@@](=O)[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000107520607 564026997 /nfs/dbraw/zinc/02/69/97/564026997.db2.gz AUXMYXXGRAOIBV-VJBOLBCHSA-N 0 0 331.462 4.974 50 0 EJAARN Cc1cc(C)n(Cc2ccccc2F)c1C(=O)Nc1cccc(C)c1 ZINC000044854695 564027181 /nfs/dbraw/zinc/02/71/81/564027181.db2.gz LSRMMWSBOGKZAI-UHFFFAOYSA-N 0 0 336.410 4.853 50 0 EJAARN CC(C)(C)OC(=O)N1CC[C@H](Nc2ccccc2-c2ccccc2)C1 ZINC000044857407 564027183 /nfs/dbraw/zinc/02/71/83/564027183.db2.gz XIKBZYDKJPMAEG-KRWDZBQOSA-N 0 0 338.451 4.775 50 0 EJAARN Cc1ccc(NC(=O)c2cc(-c3cccc4ccccc43)[nH]n2)c(F)c1 ZINC000044838225 564027353 /nfs/dbraw/zinc/02/73/53/564027353.db2.gz BCECDKGSVXPGOV-UHFFFAOYSA-N 0 0 345.377 4.930 50 0 EJAARN COc1ccc(NC(=O)Nc2cc(Cl)ccc2C)cc1Cl ZINC000044845001 564027475 /nfs/dbraw/zinc/02/74/75/564027475.db2.gz KHUIINBGQSCFPV-UHFFFAOYSA-N 0 0 325.195 4.954 50 0 EJAARN O=C(c1ccc(-n2cc[nH]c2=S)cc1)N1CCC[C@H]1c1ccccc1 ZINC000045065076 564028108 /nfs/dbraw/zinc/02/81/08/564028108.db2.gz UMWIXPUEEPUMCW-SFHVURJKSA-N 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328.843 4.695 50 0 EJAARN CC(C)c1nc(CN(Cc2cccs2)C[C@@H]2CCCO2)cs1 ZINC000046054327 564029356 /nfs/dbraw/zinc/02/93/56/564029356.db2.gz YFFYVBCGIIILDZ-HNNXBMFYSA-N 0 0 336.526 4.509 50 0 EJAARN COc1ccc(-c2csc3c2NC(=O)C[C@H]3c2ccsc2)cc1 ZINC000046076437 564029393 /nfs/dbraw/zinc/02/93/93/564029393.db2.gz BOBFKVULBJYJQW-AWEZNQCLSA-N 0 0 341.457 4.959 50 0 EJAARN O=C(Nc1ccccc1OC(F)F)C1(c2ccccc2)CCCC1 ZINC000046077353 564029445 /nfs/dbraw/zinc/02/94/45/564029445.db2.gz NONVSRCNQOQEET-UHFFFAOYSA-N 0 0 331.362 4.739 50 0 EJAARN O=C(N[C@H]1CCc2ccccc21)c1cc2c(s1)-c1ccccc1OC2 ZINC000047997885 564029834 /nfs/dbraw/zinc/02/98/34/564029834.db2.gz AKDKJJDMOWTCFY-KRWDZBQOSA-N 0 0 347.439 4.725 50 0 EJAARN C[C@H](NC(=O)CCCCC(=O)c1ccccc1)c1ccc(F)c(F)c1 ZINC000048184547 564029988 /nfs/dbraw/zinc/02/99/88/564029988.db2.gz DNDUVTXUGNHOMR-AWEZNQCLSA-N 0 0 345.389 4.585 50 0 EJAARN O=C(c1cnc(-c2ccccc2)s1)N1CCC(c2ccccc2)CC1 ZINC000048231094 564030254 /nfs/dbraw/zinc/03/02/54/564030254.db2.gz GXGNVEHVBAANJU-UHFFFAOYSA-N 0 0 348.471 4.830 50 0 EJAARN COc1cc(Cl)c(C)cc1N[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000048264255 564030354 /nfs/dbraw/zinc/03/03/54/564030354.db2.gz YVIUGGUIGHZUGO-GFCCVEGCSA-N 0 0 343.814 4.880 50 0 EJAARN CCc1cccc(N[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000048254036 564030490 /nfs/dbraw/zinc/03/04/90/564030490.db2.gz ODPNAWVUNYJKMJ-LBPRGKRZSA-N 0 0 336.357 4.707 50 0 EJAARN CC(C)C[C@@H](NC(=O)c1nc(Cl)ccc1Cl)c1cccs1 ZINC000048324712 564030944 /nfs/dbraw/zinc/03/09/44/564030944.db2.gz QEFFZWDUXDBTSZ-LLVKDONJSA-N 0 0 343.279 4.967 50 0 EJAARN COc1ccc(CSc2nccn3nc(-c4ccccc4)cc23)cc1 ZINC000048990902 564032375 /nfs/dbraw/zinc/03/23/75/564032375.db2.gz UXZDYGKGCNVXIC-UHFFFAOYSA-N 0 0 347.443 4.697 50 0 EJAARN CCC(C)(C)NC(=O)c1sc(-c2ccc(Cl)s2)nc1C ZINC000049276407 564032660 /nfs/dbraw/zinc/03/26/60/564032660.db2.gz HRLTUPQXCMMHCL-UHFFFAOYSA-N 0 0 328.890 4.752 50 0 EJAARN C[C@H]1CCCN(C(=O)c2ccc(SCc3cccnc3)cc2)CC1 ZINC000062928044 564032892 /nfs/dbraw/zinc/03/28/92/564032892.db2.gz TZJUVJUQAYSLHQ-INIZCTEOSA-N 0 0 340.492 4.636 50 0 EJAARN CC(C)(C)C(=O)NC[C@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000049929847 564032894 /nfs/dbraw/zinc/03/28/94/564032894.db2.gz IBIRPELRYMRGLI-HNNXBMFYSA-N 0 0 326.465 4.524 50 0 EJAARN CCSc1cccc(C(=O)Nc2nc(-c3cccnc3)cs2)c1 ZINC000005203595 564033153 /nfs/dbraw/zinc/03/31/53/564033153.db2.gz MMOJQCTYSXUABZ-UHFFFAOYSA-N 0 0 341.461 4.569 50 0 EJAARN O=C(CCSc1ccccc1)Nc1ccc(N2CCCCC2)cc1 ZINC000006820467 564033515 /nfs/dbraw/zinc/03/35/15/564033515.db2.gz GTMVONVWNLFSRT-UHFFFAOYSA-N 0 0 340.492 4.798 50 0 EJAARN CCc1ccc2occ(CC(=O)Nc3cc(Cl)ccc3OC)c2c1 ZINC000006809760 564033539 /nfs/dbraw/zinc/03/35/39/564033539.db2.gz WDJVYXFNAZTRLT-UHFFFAOYSA-N 0 0 343.810 4.838 50 0 EJAARN CC(C)CC(=O)Nc1ccc(-c2csc(-c3ccccn3)n2)cc1 ZINC000006906645 564033785 /nfs/dbraw/zinc/03/37/85/564033785.db2.gz BWQIUNBCMLQWCY-UHFFFAOYSA-N 0 0 337.448 4.857 50 0 EJAARN O=C1c2ccccc2N[C@@H](c2ccccc2Cl)N1Cc1ccco1 ZINC000007112497 564034078 /nfs/dbraw/zinc/03/40/78/564034078.db2.gz YJFKBSRQBMPVSS-GOSISDBHSA-N 0 0 338.794 4.700 50 0 EJAARN CCn1c(=O)c2c(-c3ccccc3)csc2nc1SC(C)C ZINC000024925969 564034601 /nfs/dbraw/zinc/03/46/01/564034601.db2.gz CPIDKPHACULKQK-UHFFFAOYSA-N 0 0 330.478 4.645 50 0 EJAARN O=C(/C=C/c1ccco1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000008115130 564034812 /nfs/dbraw/zinc/03/48/12/564034812.db2.gz JTEQOSAIISXHGU-NDDJGDGRSA-N 0 0 335.428 4.529 50 0 EJAARN Cc1nnc(SCc2nc3ccccc3o2)n1C1CCCCC1 ZINC000008186219 564034900 /nfs/dbraw/zinc/03/49/00/564034900.db2.gz YVTCFZCXYQPFHF-UHFFFAOYSA-N 0 0 328.441 4.525 50 0 EJAARN O=C(NCc1ccc(-c2ccoc2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000390831660 564035068 /nfs/dbraw/zinc/03/50/68/564035068.db2.gz TYFDLFHOBPCJGF-UHFFFAOYSA-N 0 0 335.447 4.779 50 0 EJAARN O=C(c1ccc(F)cc1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000008324345 564035375 /nfs/dbraw/zinc/03/53/75/564035375.db2.gz DVINBWAAILIEBH-LJQANCHMSA-N 0 0 337.419 4.675 50 0 EJAARN O=C(/C=C/c1cccc(C(F)(F)F)c1)OCc1nc2ccccc2o1 ZINC000008497812 564035817 /nfs/dbraw/zinc/03/58/17/564035817.db2.gz FYCPEMVWNLHPJX-CMDGGOBGSA-N 0 0 347.292 4.603 50 0 EJAARN Cc1oc2ncnc(Oc3ccc(Br)cc3F)c2c1C ZINC000032975720 564036333 /nfs/dbraw/zinc/03/63/33/564036333.db2.gz GHASZCWBBNWYNW-UHFFFAOYSA-N 0 0 337.148 4.534 50 0 EJAARN Cc1cccc([C@H](C)NC(=O)c2ccccc2-c2ccc(F)cc2)n1 ZINC000222522625 564036911 /nfs/dbraw/zinc/03/69/11/564036911.db2.gz ONLSJTMKMUWREH-HNNXBMFYSA-N 0 0 334.394 4.687 50 0 EJAARN O=C(Cc1csc(Cc2ccccc2)n1)NC1CCCCCCC1 ZINC000040088807 564044981 /nfs/dbraw/zinc/04/49/81/564044981.db2.gz SGOCDGRKBDLKTC-UHFFFAOYSA-N 0 0 342.508 4.506 50 0 EJAARN Cc1nc2ccc(C(=O)N3CCC[C@H]3c3ccccc3Cl)cc2o1 ZINC000225401432 564046422 /nfs/dbraw/zinc/04/64/22/564046422.db2.gz DFQBZVVBTMGSKM-KRWDZBQOSA-N 0 0 340.810 4.767 50 0 EJAARN Cc1cccc([C@H]2CC(c3ccco3)=NN2C(=O)c2cccc(F)c2)c1 ZINC000225517303 564047463 /nfs/dbraw/zinc/04/74/63/564047463.db2.gz KVTYPZPZNUAASV-LJQANCHMSA-N 0 0 348.377 4.719 50 0 EJAARN CCn1c2ccc(F)cc2nc1NCc1cnc(-c2ccco2)s1 ZINC000225599215 564048228 /nfs/dbraw/zinc/04/82/28/564048228.db2.gz CDLPUGDNMSPDTA-UHFFFAOYSA-N 0 0 342.399 4.524 50 0 EJAARN c1cc(-c2n[nH]cc2-c2nc(-c3cc4ccccc4o3)no2)cs1 ZINC000225605333 564048314 /nfs/dbraw/zinc/04/83/14/564048314.db2.gz SYWPGFKWZYIVJW-UHFFFAOYSA-N 0 0 334.360 4.601 50 0 EJAARN CSc1ccccc1C(=O)Nc1nc2c(cccc2Cl)s1 ZINC000005222383 564051190 /nfs/dbraw/zinc/05/11/90/564051190.db2.gz GVLTUVRUTBRAML-UHFFFAOYSA-N 0 0 334.853 4.924 50 0 EJAARN Cc1c2cc(C)ccc2oc1C(=O)N1CCC(Cc2cccnc2)CC1 ZINC000426641515 564051428 /nfs/dbraw/zinc/05/14/28/564051428.db2.gz YQLFEISCTBJTQW-UHFFFAOYSA-N 0 0 348.446 4.540 50 0 EJAARN C[C@H]1CCc2sc3[nH]c(=S)n(-c4ccccc4)c(=O)c3c2C1 ZINC000239212572 564051575 /nfs/dbraw/zinc/05/15/75/564051575.db2.gz SYPKRKMIFJVVBB-JTQLQIEISA-N 0 0 328.462 4.647 50 0 EJAARN CC1(C)[C@H]2c3ccccc3C[C@@]2(S(=O)(=O)c2ccccc2)C1(C)C ZINC000005791420 564052189 /nfs/dbraw/zinc/05/21/89/564052189.db2.gz WJFYIFZVVFTGRR-NQIIRXRSSA-N 0 0 340.488 4.605 50 0 EJAARN O=C(/C=C/c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000003896828 564052492 /nfs/dbraw/zinc/05/24/92/564052492.db2.gz ZBWAFFWEARHYGC-LFIBNONCSA-N 0 0 327.383 4.835 50 0 EJAARN C[C@H]1CC[C@@H](c2cccn2C)N(C(=S)Nc2ccccc2)CC1 ZINC000018943508 564052728 /nfs/dbraw/zinc/05/27/28/564052728.db2.gz DTCACUGAERELGV-YJBOKZPZSA-N 0 0 327.497 4.585 50 0 EJAARN CCOC(=O)c1cc2cc(Cl)cc(OCc3ccccc3)c2[nH]1 ZINC000253533024 564053642 /nfs/dbraw/zinc/05/36/42/564053642.db2.gz IDZGSKPLTOECGC-UHFFFAOYSA-N 0 0 329.783 4.577 50 0 EJAARN C[C@@H](O)CNc1ncnc2sc3c(c21)CCCCCCCCCC3 ZINC000000976796 564053800 /nfs/dbraw/zinc/05/38/00/564053800.db2.gz MGSWDRPOCLSLCA-CQSZACIVSA-N 0 0 347.528 4.703 50 0 EJAARN O=C1CCCC[C@@H]([C@@H](Nc2ccc(Cl)cc2)c2ccccc2)N1 ZINC000000968501 564053802 /nfs/dbraw/zinc/05/38/02/564053802.db2.gz TZYDIYSEXPFVNE-HKUYNNGSSA-N 0 0 328.843 4.552 50 0 EJAARN Cc1sc(NC(=O)CSc2ccccc2)nc1-c1ccccc1 ZINC000001000869 564053961 /nfs/dbraw/zinc/05/39/61/564053961.db2.gz ZNPIFPVGNFMEDW-UHFFFAOYSA-N 0 0 340.473 4.849 50 0 EJAARN C[C@@H]1CCc2nc(NC(=O)c3occc3-c3ccccc3)sc2C1 ZINC000025280188 564053985 /nfs/dbraw/zinc/05/39/85/564053985.db2.gz JBFRACXQDWWNTE-GFCCVEGCSA-N 0 0 338.432 4.780 50 0 EJAARN O=C1S/C(=C/C=C/c2ccco2)C(=O)N1c1ccc(Cl)cc1 ZINC000001007598 564053993 /nfs/dbraw/zinc/05/39/93/564053993.db2.gz BGXCCJGAZYCDQL-GSPDUGTFSA-N 0 0 331.780 4.730 50 0 EJAARN Cc1ccc(CN2C(=O)S/C(=C\c3ccccc3Cl)C2=O)cc1 ZINC000001018940 564054064 /nfs/dbraw/zinc/05/40/64/564054064.db2.gz LYGFVHZOGXTPAA-YBEGLDIGSA-N 0 0 343.835 4.885 50 0 EJAARN CCn1ccnc1-c1cccc(NC(=O)c2cccc(Cl)c2F)c1 ZINC000129095629 564054150 /nfs/dbraw/zinc/05/41/50/564054150.db2.gz HLPSGEIWHGAXMU-UHFFFAOYSA-N 0 0 343.789 4.615 50 0 EJAARN Fc1ccc(Cn2c(COc3ccccc3)nc3ccccc32)cc1 ZINC000001075520 564054307 /nfs/dbraw/zinc/05/43/07/564054307.db2.gz VDSOLMTWWOWELA-UHFFFAOYSA-N 0 0 332.378 4.803 50 0 EJAARN S=c1[nH]c(-c2ccccc2)cn1-c1ccc(Br)cc1 ZINC000002499643 564054413 /nfs/dbraw/zinc/05/44/13/564054413.db2.gz XKTAZYUNCRUISR-UHFFFAOYSA-N 0 0 331.238 4.964 50 0 EJAARN Cc1ccc(NC2=NC(=O)[C@@H](Cc3cccc(Cl)c3)S2)cc1C ZINC000005812904 564054572 /nfs/dbraw/zinc/05/45/72/564054572.db2.gz CTMKRZUJUUERED-MRXNPFEDSA-N 0 0 344.867 4.609 50 0 EJAARN CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257355727 564055931 /nfs/dbraw/zinc/05/59/31/564055931.db2.gz CGMZETDGTMDEAD-WCSWMZASSA-N 0 0 332.528 4.841 50 0 EJAARN Cc1ccc(-n2c(=O)c3c([nH]c2=S)sc2c3[C@H](C)CCC2)cc1 ZINC000005818347 564056105 /nfs/dbraw/zinc/05/61/05/564056105.db2.gz CNBBWDBUXZAIAN-LLVKDONJSA-N 0 0 342.489 4.858 50 0 EJAARN CCCSc1nc(=S)c2c3c(sc2[nH]1)COC(C)(C)C3 ZINC000005893632 564056824 /nfs/dbraw/zinc/05/68/24/564056824.db2.gz WFJZXUPTEUIHEM-UHFFFAOYSA-N 0 0 326.512 4.707 50 0 EJAARN COC(=O)c1cc2c3ccccc3[nH]c2c(-c2ccccc2Cl)n1 ZINC000005910206 564056944 /nfs/dbraw/zinc/05/69/44/564056944.db2.gz WJGKCSBYCDDNKL-UHFFFAOYSA-N 0 0 336.778 4.823 50 0 biogenic EJAARN C[C@H]1CCCN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000063273757 564056967 /nfs/dbraw/zinc/05/69/67/564056967.db2.gz ZGFQDSSLNXVENZ-ZDUSSCGKSA-N 0 0 340.448 4.819 50 0 EJAARN COc1cc(OC)c(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1Cl ZINC000005938357 564057071 /nfs/dbraw/zinc/05/70/71/564057071.db2.gz VQBBMOOXRCOCMP-UHFFFAOYSA-N 0 0 349.858 4.512 50 0 EJAARN C[C@H](Nc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(F)cc1 ZINC000005934231 564057094 /nfs/dbraw/zinc/05/70/94/564057094.db2.gz JMSFOSNWLGLLFU-HNNXBMFYSA-N 0 0 334.394 4.932 50 0 EJAARN CC(C)Sc1nc2ccccc2c(=O)n1-c1ccccc1Cl ZINC000005938898 564057121 /nfs/dbraw/zinc/05/71/21/564057121.db2.gz WVQJHQIIOPCWJC-UHFFFAOYSA-N 0 0 330.840 4.540 50 0 EJAARN CCN(C(=O)c1cccc(OC)c1)c1nc2cc(Cl)ccc2s1 ZINC000005937352 564057135 /nfs/dbraw/zinc/05/71/35/564057135.db2.gz CNJMZEVMHGBFKD-UHFFFAOYSA-N 0 0 346.839 4.625 50 0 EJAARN Cc1sc2ncnc(N[C@@H]3CCSc4ccccc43)c2c1C ZINC000005937646 564057148 /nfs/dbraw/zinc/05/71/48/564057148.db2.gz UNCVTMUMZDJVKC-CYBMUJFWSA-N 0 0 327.478 4.957 50 0 EJAARN O=C(CSc1c(Cl)cccc1Cl)c1ccc2c(c1)OCO2 ZINC000006000275 564057521 /nfs/dbraw/zinc/05/75/21/564057521.db2.gz GLZWHRJGZWTOOM-UHFFFAOYSA-N 0 0 341.215 4.697 50 0 EJAARN CCn1c2ccccc2c2cc(NC(=O)Cc3cccc(O)c3)ccc21 ZINC000063535665 564057768 /nfs/dbraw/zinc/05/77/68/564057768.db2.gz ZWSABTQVMKHTCO-UHFFFAOYSA-N 0 0 344.414 4.701 50 0 EJAARN Cc1nnc(CN[C@H](c2ccccc2)c2cc(Cl)ccc2Cl)o1 ZINC000183733127 564057841 /nfs/dbraw/zinc/05/78/41/564057841.db2.gz RVMDWQIFNWVPPN-QGZVFWFLSA-N 0 0 348.233 4.564 50 0 EJAARN Clc1cccc(OCc2noc(-c3ccsc3)n2)c1Cl ZINC000031681002 564057942 /nfs/dbraw/zinc/05/79/42/564057942.db2.gz GJLLRNSYIQCKGH-UHFFFAOYSA-N 0 0 327.192 4.684 50 0 EJAARN CCCOc1ccc(C(=O)Nc2nc3cc(C)c(C)cc3s2)cc1 ZINC000002112351 564058318 /nfs/dbraw/zinc/05/83/18/564058318.db2.gz VVJCCOLPJJHZMU-UHFFFAOYSA-N 0 0 340.448 4.954 50 0 EJAARN OC1CCC(n2c3c(c(=S)nc2-c2ccccc2)CCCC3)CC1 ZINC000003236302 564058610 /nfs/dbraw/zinc/05/86/10/564058610.db2.gz RJRONKGTOAONAN-UHFFFAOYSA-N 0 0 340.492 4.634 50 0 EJAARN O=C(CSc1cnc2ccccc2n1)c1ccc(Cl)c(Cl)c1 ZINC000003256486 564058763 /nfs/dbraw/zinc/05/87/63/564058763.db2.gz MHMIOINLNOKTMN-UHFFFAOYSA-N 0 0 349.242 4.912 50 0 EJAARN Cc1cc2ncn(-c3nc(C(F)(F)F)nc4ccccc43)c2cc1C ZINC000012543811 564058796 /nfs/dbraw/zinc/05/87/96/564058796.db2.gz ZIRMFSOLOUPASB-UHFFFAOYSA-N 0 0 342.324 4.604 50 0 EJAARN Cc1nc(-c2ccc3c(c2)CCN3Cc2cccc(F)c2F)cs1 ZINC000012543783 564058811 /nfs/dbraw/zinc/05/88/11/564058811.db2.gz QPTMYOKILBRLEM-UHFFFAOYSA-N 0 0 342.414 4.959 50 0 EJAARN Cc1nc(SCc2cccc(Cl)c2)n(C[C@H]2CCCO2)c1C ZINC000012544694 564058821 /nfs/dbraw/zinc/05/88/21/564058821.db2.gz SLRJMYIWRTZNGL-MRXNPFEDSA-N 0 0 336.888 4.625 50 0 EJAARN CCn1c2ccccc2nc1S[C@H](C)C(=O)c1ccc(F)cc1 ZINC000012550875 564059102 /nfs/dbraw/zinc/05/91/02/564059102.db2.gz QZFYOHUQEFKYMH-GFCCVEGCSA-N 0 0 328.412 4.559 50 0 EJAARN Cc1ccc(-c2csc(NC(=O)Cc3cccs3)n2)cc1C ZINC000003326777 564059237 /nfs/dbraw/zinc/05/92/37/564059237.db2.gz PGJRNGMEFBLBJM-UHFFFAOYSA-N 0 0 328.462 4.670 50 0 EJAARN O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1cccs1 ZINC000003331570 564059265 /nfs/dbraw/zinc/05/92/65/564059265.db2.gz KIWRETAQONZWDX-UHFFFAOYSA-N 0 0 334.853 4.701 50 0 EJAARN COc1ccc(-c2nnc([C@@H](C)Nc3cccc4c3CCCC4)o2)cc1 ZINC000012555057 564059295 /nfs/dbraw/zinc/05/92/95/564059295.db2.gz DSKVAQGAFMBOJL-CQSZACIVSA-N 0 0 349.434 4.797 50 0 EJAARN Cc1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)cc1C ZINC000012556272 564059366 /nfs/dbraw/zinc/05/93/66/564059366.db2.gz KKNJLTGQDLEUDF-UHFFFAOYSA-N 0 0 341.411 4.543 50 0 EJAARN Cc1ccc(C)c(-c2csc(NC(=O)c3ccc(F)cc3F)n2)c1 ZINC000003350563 564059395 /nfs/dbraw/zinc/05/93/95/564059395.db2.gz RUJOMUYMMHPINI-UHFFFAOYSA-N 0 0 344.386 4.957 50 0 EJAARN Cc1ccc(NC[C@@H](O)Cn2c3ccc(C)cc3c3c2CCCC3)cc1 ZINC000003648925 564060119 /nfs/dbraw/zinc/06/01/19/564060119.db2.gz GFJIMUXPTZXDEA-LJQANCHMSA-N 0 0 348.490 4.610 50 0 EJAARN Cc1ccc2nc(COC(=O)c3ccc(-c4ccccc4)cc3)cn2c1 ZINC000012599786 564060381 /nfs/dbraw/zinc/06/03/81/564060381.db2.gz RENOEMQCVOWTDH-UHFFFAOYSA-N 0 0 342.398 4.667 50 0 EJAARN Cc1ccccc1CC(=O)Nc1c(-c2ccccc2)nc2sccn21 ZINC000012604101 564060460 /nfs/dbraw/zinc/06/04/60/564060460.db2.gz HCNVCZSWJHZYTI-UHFFFAOYSA-N 0 0 347.443 4.552 50 0 EJAARN Cc1cccc(NC(=S)NNc2ccnc3cc(Cl)ccc32)c1 ZINC000012609775 564060595 /nfs/dbraw/zinc/06/05/95/564060595.db2.gz QGMPBLQUDUWQSU-UHFFFAOYSA-N 0 0 342.855 4.510 50 0 EJAARN CC[C@@H](O)c1ccc(-c2cccc(C(=O)N3CCCCCC3)c2)cc1 ZINC000299774093 564060804 /nfs/dbraw/zinc/06/08/04/564060804.db2.gz AEAQFLYHHWFBAG-OAQYLSRUSA-N 0 0 337.463 4.813 50 0 EJAARN C[C@H](Sc1ccccc1)C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000012623437 564061026 /nfs/dbraw/zinc/06/10/26/564061026.db2.gz HVDKBSCSSJJHEB-LBPRGKRZSA-N 0 0 339.382 4.502 50 0 EJAARN Cc1[nH]c2ccccc2c1C(=O)CN(C)Cc1c(F)cccc1Cl ZINC000015351795 564061288 /nfs/dbraw/zinc/06/12/88/564061288.db2.gz HIODMCPYWKLDSZ-UHFFFAOYSA-N 0 0 344.817 4.584 50 0 EJAARN CC(C)N(C(=O)c1ccccc1-c1ccc2c(c1)CCC2=O)C(C)C ZINC000534644200 564061300 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ZINC000083825412 564063526 /nfs/dbraw/zinc/06/35/26/564063526.db2.gz TYFYBKFYAIPFQQ-DOMZBBRYSA-N 0 0 327.453 4.824 50 0 EJAARN FC(F)(F)c1nc2ccccc2n2c(-c3ccc(Cl)cc3)nnc12 ZINC000001381973 564064000 /nfs/dbraw/zinc/06/40/00/564064000.db2.gz PEOTYDSXVIEYAM-UHFFFAOYSA-N 0 0 348.715 4.617 50 0 EJAARN Cc1nn2c(nc(-c3ccc(F)cc3)cc2C(F)(F)F)c1Cl ZINC000001384262 564064123 /nfs/dbraw/zinc/06/41/23/564064123.db2.gz QLTZEGAQKWTXJX-UHFFFAOYSA-N 0 0 329.684 4.516 50 0 EJAARN FC(F)(F)Oc1ccc(Nc2ncnc3cc(Cl)ccc32)cc1 ZINC000001387053 564064227 /nfs/dbraw/zinc/06/42/27/564064227.db2.gz VATWZTCCHSNBLA-UHFFFAOYSA-N 0 0 339.704 4.925 50 0 EJAARN COc1cc(C(F)(F)F)nc(Oc2cc(Cl)ccc2Cl)n1 ZINC000001390166 564064463 /nfs/dbraw/zinc/06/44/63/564064463.db2.gz ZOOXBAUHUSSTAO-UHFFFAOYSA-N 0 0 339.100 4.603 50 0 EJAARN O=C(CSc1ccccc1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000001392113 564064518 /nfs/dbraw/zinc/06/45/18/564064518.db2.gz YONWNNFJWAMUPW-UHFFFAOYSA-N 0 0 344.436 4.680 50 0 EJAARN CCN(CC)c1nc(SCc2ccccc2)nc2ccsc21 ZINC000001398461 564064801 /nfs/dbraw/zinc/06/48/01/564064801.db2.gz KMABGSGDCRBFEA-UHFFFAOYSA-N 0 0 329.494 4.830 50 0 EJAARN COc1ccc(-c2nc3ccccc3n2OCc2ccc(C)cc2)cc1 ZINC000001396575 564064904 /nfs/dbraw/zinc/06/49/04/564064904.db2.gz QPRFWHKWMXCUAX-UHFFFAOYSA-N 0 0 344.414 4.649 50 0 EJAARN COc1ccc(NC(=O)c2ccc(-c3cccs3)cc2)cc1OC ZINC000001397026 564064946 /nfs/dbraw/zinc/06/49/46/564064946.db2.gz AVLBAZSDBQBTPS-UHFFFAOYSA-N 0 0 339.416 4.685 50 0 EJAARN CCOC(=O)c1sc(=S)n(-c2ccccc2Cl)c1SC ZINC000001403337 564065064 /nfs/dbraw/zinc/06/50/64/564065064.db2.gz YDLIJKIHHLGPRO-UHFFFAOYSA-N 0 0 345.898 4.820 50 0 EJAARN COc1ccc2c(c1)C=C[C@@]1(O2)N(C)c2ccc(Cl)cc2C1(C)C ZINC000001402323 564065076 /nfs/dbraw/zinc/06/50/76/564065076.db2.gz NDJGQCKPEFCWIA-FQEVSTJZSA-N 0 0 341.838 4.878 50 0 EJAARN O=C1c2ccsc2SCCN1Cc1c(Cl)cccc1Cl ZINC000001403649 564065091 /nfs/dbraw/zinc/06/50/91/564065091.db2.gz DLZZXXGQJCWOAQ-UHFFFAOYSA-N 0 0 344.288 4.803 50 0 EJAARN Fc1ccc(CSc2nnc(Nc3cccc(F)c3)s2)cc1 ZINC000012742220 564065475 /nfs/dbraw/zinc/06/54/75/564065475.db2.gz QRJYJLCDBOXHRC-UHFFFAOYSA-N 0 0 335.404 4.852 50 0 EJAARN O=C(COC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000000572098 564065497 /nfs/dbraw/zinc/06/54/97/564065497.db2.gz XFHBGRLWRWHYGN-UHFFFAOYSA-N 0 0 343.593 4.687 50 0 EJAARN Cc1ccc(-c2cc(N)n(-c3nc(-c4ccccc4)cs3)n2)cc1 ZINC000001415873 564065932 /nfs/dbraw/zinc/06/59/32/564065932.db2.gz XSEHUOMUPIFUES-UHFFFAOYSA-N 0 0 332.432 4.553 50 0 EJAARN CC(C)N(Cc1nc(-c2cccs2)no1)C(=O)CC1CCCCC1 ZINC000016648174 564066011 /nfs/dbraw/zinc/06/60/11/564066011.db2.gz VVSDLEWKFOLGQG-UHFFFAOYSA-N 0 0 347.484 4.506 50 0 EJAARN COc1ccc(C)cc1NC(=O)[C@@H](C)SCCCc1ccccc1 ZINC000015492056 564066390 /nfs/dbraw/zinc/06/63/90/564066390.db2.gz UQFMPHCBEYRLKQ-MRXNPFEDSA-N 0 0 343.492 4.697 50 0 EJAARN CCn1c(=S)sc2c1nc(-c1ccccc1)nc2N1CCCC1 ZINC000001425586 564066754 /nfs/dbraw/zinc/06/67/54/564066754.db2.gz JJOXHOPMFOGNPG-UHFFFAOYSA-N 0 0 342.493 4.509 50 0 EJAARN C[C@@]12CC(C)(C)c3ccccc3[C@@]1(C)N(Cc1ccccc1)C(=O)O2 ZINC000001430479 564066941 /nfs/dbraw/zinc/06/69/41/564066941.db2.gz YKHFUHFZOPAGCY-FGZHOGPDSA-N 0 0 335.447 4.994 50 0 EJAARN Cc1ccc(C(=O)N(CCc2ccccc2)Cc2ccccc2)c(C)n1 ZINC000084147852 564066972 /nfs/dbraw/zinc/06/69/72/564066972.db2.gz FDERBYMSIHVFCC-UHFFFAOYSA-N 0 0 344.458 4.584 50 0 EJAARN O=C(OCc1ccc(Cl)cc1Cl)c1ccc(-n2cccn2)cc1 ZINC000001432523 564067085 /nfs/dbraw/zinc/06/70/85/564067085.db2.gz UOVOZNOGASZDPT-UHFFFAOYSA-N 0 0 347.201 4.536 50 0 EJAARN Cc1cccc([C@@H]2CCCN2C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)c1 ZINC000084210698 564067415 /nfs/dbraw/zinc/06/74/15/564067415.db2.gz RALDVZPZHZDPSD-FQEVSTJZSA-N 0 0 349.409 4.502 50 0 EJAARN Cc1cccc2c1C(=O)N[C@@H](c1ccc(-c3cccs3)cc1F)N2 ZINC000084229758 564067433 /nfs/dbraw/zinc/06/74/33/564067433.db2.gz NTAIQVCAKQOACZ-SFHVURJKSA-N 0 0 338.407 4.717 50 0 EJAARN O=C(Nc1c(F)cccc1Br)c1ccc(Cl)s1 ZINC000084245621 564067480 /nfs/dbraw/zinc/06/74/80/564067480.db2.gz VOBFSSULQFAQGQ-UHFFFAOYSA-N 0 0 334.597 4.555 50 0 EJAARN Cc1ccccc1-c1cc(NCc2cccc3cccnc32)n(C)n1 ZINC000084247661 564067510 /nfs/dbraw/zinc/06/75/10/564067510.db2.gz KKYPVZCMROABED-UHFFFAOYSA-N 0 0 328.419 4.556 50 0 EJAARN Cc1ccn2cc(C(=O)Nc3ccccc3-c3cccs3)nc2c1 ZINC000084250786 564067571 /nfs/dbraw/zinc/06/75/71/564067571.db2.gz RJFZDGMNCSDUEG-UHFFFAOYSA-N 0 0 333.416 4.624 50 0 EJAARN Cc1nc(-c2ccc(OC(=O)c3occc3-c3ccccc3)cc2)no1 ZINC000084281499 564067583 /nfs/dbraw/zinc/06/75/83/564067583.db2.gz QQMUGKJUPKJJCQ-UHFFFAOYSA-N 0 0 346.342 4.524 50 0 EJAARN Cc1ccc(NC(=O)c2ccccc2OCc2cccc(C)c2)nc1 ZINC000012766753 564068107 /nfs/dbraw/zinc/06/81/07/564068107.db2.gz UBKIMWJWEHGYDS-UHFFFAOYSA-N 0 0 332.403 4.530 50 0 EJAARN CCN(Cc1ccccn1)C(=O)N[C@H](c1cc2ccccc2o1)C1CC1 ZINC000084438838 564068155 /nfs/dbraw/zinc/06/81/55/564068155.db2.gz SPTWYAUVWRQOSC-FQEVSTJZSA-N 0 0 349.434 4.511 50 0 EJAARN c1ccc(OCc2cccnc2)c(CNc2ccc3c(c2)CCC3)c1 ZINC000084505920 564068382 /nfs/dbraw/zinc/06/83/82/564068382.db2.gz 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/nfs/dbraw/zinc/07/00/20/564070020.db2.gz NFTAZPCPFLCOLK-ZDUSSCGKSA-N 0 0 349.477 4.656 50 0 EJAARN C[C@@H](c1ccccc1)N(C)C(=O)c1cccc(NC(=O)C(C)(C)C)c1 ZINC000012781476 564070021 /nfs/dbraw/zinc/07/00/21/564070021.db2.gz QQOAXKHGFVXUEU-HNNXBMFYSA-N 0 0 338.451 4.504 50 0 EJAARN CC(C)CCC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000012785016 564070206 /nfs/dbraw/zinc/07/02/06/564070206.db2.gz IPULENMISRMDON-INIZCTEOSA-N 0 0 338.451 4.552 50 0 EJAARN COc1ccccc1[C@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000012785664 564070281 /nfs/dbraw/zinc/07/02/81/564070281.db2.gz HLTSLBRTIOEWLW-AWEZNQCLSA-N 0 0 348.446 4.546 50 0 EJAARN CC[C@@H]1Nc2c(sc3nc(C)cc(C)c32)C(=O)N1C1CCCCC1 ZINC000015670727 564070457 /nfs/dbraw/zinc/07/04/57/564070457.db2.gz VGOZUIDOHYJRJD-CQSZACIVSA-N 0 0 343.496 4.850 50 0 EJAARN CC[C@H](C)NC(=O)CCc1cn(Cc2ccccc2C)c2ccccc12 ZINC000015678388 564070638 /nfs/dbraw/zinc/07/06/38/564070638.db2.gz RHCYBCRCOJQTEX-SFHVURJKSA-N 0 0 348.490 4.845 50 0 EJAARN CCc1ccccc1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C ZINC000012818458 564073215 /nfs/dbraw/zinc/07/32/15/564073215.db2.gz JBTUNXFUCMWZBM-UHFFFAOYSA-N 0 0 348.450 4.704 50 0 EJAARN Cc1nc(-c2cccs2)sc1CNC(=O)Nc1ccccc1C ZINC000085470972 564073399 /nfs/dbraw/zinc/07/33/99/564073399.db2.gz KVLAEDIJNWRNHB-UHFFFAOYSA-N 0 0 343.477 4.810 50 0 EJAARN Cc1ccc(NC(=O)C[C@H](c2cccs2)n2cccc2)cc1F ZINC000015771018 564073736 /nfs/dbraw/zinc/07/37/36/564073736.db2.gz UQYPHCACGASSCJ-MRXNPFEDSA-N 0 0 328.412 4.615 50 0 EJAARN Cc1cc(C)n(-c2nnc(Nc3cccc(Cl)c3)c3ccccc32)n1 ZINC000015777664 564074055 /nfs/dbraw/zinc/07/40/55/564074055.db2.gz HHPFOIKRKPXOIZ-UHFFFAOYSA-N 0 0 349.825 4.829 50 0 EJAARN CCOC(=O)c1nc2ccccc2c(Nc2ccc(C(C)C)cc2)n1 ZINC000015784031 564074173 /nfs/dbraw/zinc/07/41/73/564074173.db2.gz KVJUAASTCFXNDV-UHFFFAOYSA-N 0 0 335.407 4.674 50 0 EJAARN CC(C)c1ccc(-c2nc(C(=O)N3CCCCCC3)cs2)cc1 ZINC000012822692 564074717 /nfs/dbraw/zinc/07/47/17/564074717.db2.gz ISOUGRUGCYWRKA-UHFFFAOYSA-N 0 0 328.481 4.950 50 0 EJAARN O=C(NC1CCCCCCC1)c1ccc2c(c1)nc1n2CCCCC1 ZINC000015786949 564074928 /nfs/dbraw/zinc/07/49/28/564074928.db2.gz IUJRMOIXRCNFAK-UHFFFAOYSA-N 0 0 339.483 4.605 50 0 EJAARN O=C(COc1ccccc1F)Nc1c(Cl)cccc1C(F)(F)F ZINC000006123749 564075189 /nfs/dbraw/zinc/07/51/89/564075189.db2.gz KIRYXHRNCRXDIX-UHFFFAOYSA-N 0 0 347.695 4.515 50 0 EJAARN COC(=O)c1c(Nc2ccc(F)cc2)onc1-c1ccc(Cl)cc1 ZINC000015821619 564075443 /nfs/dbraw/zinc/07/54/43/564075443.db2.gz BEGYYEXKJMWDCQ-UHFFFAOYSA-N 0 0 346.745 4.664 50 0 EJAARN O=C(CSc1nccn1C1CCCCC1)Nc1cccc(Cl)c1 ZINC000015825407 564075632 /nfs/dbraw/zinc/07/56/32/564075632.db2.gz BJMPLPAXHATWCG-UHFFFAOYSA-N 0 0 349.887 4.773 50 0 EJAARN Cc1ccc2nc(C(=O)Nc3cccc(C(F)(F)F)c3)sc2c1 ZINC000015826377 564075672 /nfs/dbraw/zinc/07/56/72/564075672.db2.gz NIKIBVZEQBGNKS-UHFFFAOYSA-N 0 0 336.338 4.876 50 0 EJAARN Cc1cc(OC(=O)Nc2ccccc2F)c(C)cc1Br ZINC000000397706 564075916 /nfs/dbraw/zinc/07/59/16/564075916.db2.gz ZRZOGCADOINGND-UHFFFAOYSA-N 0 0 338.176 4.816 50 0 EJAARN Cc1cccc(C)c1NC(=O)CCCSc1ncccc1Cl ZINC000012869523 564075998 /nfs/dbraw/zinc/07/59/98/564075998.db2.gz AHOBKWGLIODXCT-UHFFFAOYSA-N 0 0 334.872 4.863 50 0 EJAARN Cc1cc(C)c(S(=O)(=O)Oc2cccc3ccccc32)c(C)c1 ZINC000002172919 564076076 /nfs/dbraw/zinc/07/60/76/564076076.db2.gz BHYFWNWVIRKSLU-UHFFFAOYSA-N 0 0 326.417 4.533 50 0 EJAARN COc1ccc(NC(=O)Cc2sc3ccccc3c2Cl)cc1 ZINC000045068758 564076264 /nfs/dbraw/zinc/07/62/64/564076264.db2.gz MWHLKOFNRPKBEE-UHFFFAOYSA-N 0 0 331.824 4.745 50 0 EJAARN Fc1ccc([C@H]2CCCN2Cc2ccc(Br)cc2)cc1 ZINC000015837424 564076526 /nfs/dbraw/zinc/07/65/26/564076526.db2.gz UDFXQJRHNVFCKP-QGZVFWFLSA-N 0 0 334.232 4.925 50 0 EJAARN CC(C)c1cc(C(=O)Nc2ccccc2F)c2cnn(C(C)C)c2n1 ZINC000012879151 564076678 /nfs/dbraw/zinc/07/66/78/564076678.db2.gz WHUNZMLZLGTSCK-UHFFFAOYSA-N 0 0 340.402 4.527 50 0 EJAARN COc1ccc(-c2cc(Nc3cc(Cl)ccc3O)nc(C)n2)cc1 ZINC000015859152 564076820 /nfs/dbraw/zinc/07/68/20/564076820.db2.gz OXGXNLMDHYDIMB-UHFFFAOYSA-N 0 0 341.798 4.563 50 0 EJAARN O=C(/C=C/c1ccc(Br)cc1)Nc1cccc(Cl)c1 ZINC000006152287 564076867 /nfs/dbraw/zinc/07/68/67/564076867.db2.gz HURUSTZDCRHRCW-RMKNXTFCSA-N 0 0 336.616 4.754 50 0 EJAARN CCCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1OCC ZINC000006152279 564076873 /nfs/dbraw/zinc/07/68/73/564076873.db2.gz CQTAQEZRGZAQOI-UHFFFAOYSA-N 0 0 333.815 4.780 50 0 EJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cnc(Cl)c(Cl)c1 ZINC000006153091 564076876 /nfs/dbraw/zinc/07/68/76/564076876.db2.gz PUBALRIARMTQHH-UHFFFAOYSA-N 0 0 335.112 4.660 50 0 EJAARN CCN(CC)c1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1 ZINC000006152652 564076878 /nfs/dbraw/zinc/07/68/78/564076878.db2.gz BYXYELSRCSSEJL-UHFFFAOYSA-N 0 0 334.822 4.507 50 0 EJAARN O=C(CC1CCCC1)Nc1cccc(CCc2nc3ccccc3[nH]2)c1 ZINC000015863630 564077110 /nfs/dbraw/zinc/07/71/10/564077110.db2.gz RAVRMYWEZUOPBM-UHFFFAOYSA-N 0 0 347.462 4.867 50 0 EJAARN O=C(CC1CCCC1)Nc1ccc2[nH]c(CCc3ccccc3)nc2c1 ZINC000015863868 564077141 /nfs/dbraw/zinc/07/71/41/564077141.db2.gz BIKQJCNAIGHTLQ-UHFFFAOYSA-N 0 0 347.462 4.867 50 0 EJAARN O=C(c1cc2cc3ccc(Cl)cc3nc2o1)N1CCc2ccccc21 ZINC000015865709 564077172 /nfs/dbraw/zinc/07/71/72/564077172.db2.gz BIDYMNQJMVAZFZ-UHFFFAOYSA-N 0 0 348.789 4.837 50 0 EJAARN COc1cccc(NC(=O)CCc2ccc(-c3ccc(C)cc3)o2)c1 ZINC000015867374 564077200 /nfs/dbraw/zinc/07/72/00/564077200.db2.gz KCCDOBZHUVRSKE-UHFFFAOYSA-N 0 0 335.403 4.835 50 0 EJAARN O=C(Nc1cccc(Cl)c1)c1occc1COc1ccccc1 ZINC000012888596 564077520 /nfs/dbraw/zinc/07/75/20/564077520.db2.gz WEPOGTGIPRXLJZ-UHFFFAOYSA-N 0 0 327.767 4.764 50 0 EJAARN Fc1ccc(SC[C@@H]2CSc3nnc(-c4ccccc4)n32)cc1 ZINC000012898111 564077637 /nfs/dbraw/zinc/07/76/37/564077637.db2.gz XNRXHLSEXQFJAD-CQSZACIVSA-N 0 0 343.452 4.523 50 0 EJAARN CCCOc1ccccc1NC(=O)c1csc(-c2cccs2)n1 ZINC000012903060 564077750 /nfs/dbraw/zinc/07/77/50/564077750.db2.gz XUESLCUDVBZMAX-UHFFFAOYSA-N 0 0 344.461 4.913 50 0 EJAARN O=C(Cc1c(Cl)cccc1Cl)N[C@H](c1cccs1)C1CC1 ZINC000012912292 564077973 /nfs/dbraw/zinc/07/79/73/564077973.db2.gz QVOKBQOMJDSFCW-INIZCTEOSA-N 0 0 340.275 4.865 50 0 EJAARN CC(C)C(=O)Nc1ccc(CNc2nc3ccccc3s2)cc1 ZINC000012917360 564078131 /nfs/dbraw/zinc/07/81/31/564078131.db2.gz GVULNDWNFUQZEL-UHFFFAOYSA-N 0 0 325.437 4.503 50 0 EJAARN C[C@@H](c1cccs1)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000012926412 564078519 /nfs/dbraw/zinc/07/85/19/564078519.db2.gz XQWMRZXHZKJLNX-NSHDSACASA-N 0 0 333.844 4.645 50 0 EJAARN Cc1ccc2c(c1)S[C@H](C(=O)Nc1c(C)cc(C)cc1Cl)C2 ZINC000012930592 564078722 /nfs/dbraw/zinc/07/87/22/564078722.db2.gz RRRSBFZIQZXQPZ-INIZCTEOSA-N 0 0 331.868 4.921 50 0 EJAARN Cc1nc(-c2cccs2)sc1C(=O)N[C@H](C)c1ccccc1 ZINC000012931840 564078802 /nfs/dbraw/zinc/07/88/02/564078802.db2.gz GGEGZUQSLWCTHG-LLVKDONJSA-N 0 0 328.462 4.671 50 0 EJAARN O=C(NCCc1ccc(-c2ccsc2)s1)NCc1cccs1 ZINC000575414098 564078855 /nfs/dbraw/zinc/07/88/55/564078855.db2.gz ULSMUBBVTWWKJX-UHFFFAOYSA-N 0 0 348.518 4.580 50 0 EJAARN O=C(Cc1ccccc1Cl)Nc1nc(-c2cccc(F)c2)cs1 ZINC000025322088 564078972 /nfs/dbraw/zinc/07/89/72/564078972.db2.gz PCHQMPZOMAMTQF-UHFFFAOYSA-N 0 0 346.814 4.784 50 0 EJAARN CC(C)Nc1nnc(S[C@H](C)c2nc3ccccc3s2)s1 ZINC000012940243 564079435 /nfs/dbraw/zinc/07/94/35/564079435.db2.gz COPVQNBNISOYGD-SECBINFHSA-N 0 0 336.511 4.821 50 0 EJAARN CC(C)CCC[C@@H](C)NC(=O)N(C)Cc1nc2ccccc2s1 ZINC000026181880 564079806 /nfs/dbraw/zinc/07/98/06/564079806.db2.gz TZLAZWWJQVVCRP-CQSZACIVSA-N 0 0 333.501 4.653 50 0 EJAARN O=C(CCc1ccccc1)N1N=C(c2ccco2)C[C@@H]1c1ccccc1 ZINC000075110294 564080303 /nfs/dbraw/zinc/08/03/03/564080303.db2.gz NYERKYYTNSJZKV-HXUWFJFHSA-N 0 0 344.414 4.590 50 0 EJAARN O=C(c1cc(Cl)ccc1Cl)N(CCc1cccs1)C1CC1 ZINC000075154804 564080811 /nfs/dbraw/zinc/08/08/11/564080811.db2.gz ARFIVMBRSCLRDJ-UHFFFAOYSA-N 0 0 340.275 4.902 50 0 EJAARN O=C(Nc1cnc(Oc2ccccc2)nc1)Nc1ccccc1Cl ZINC000075172175 564081045 /nfs/dbraw/zinc/08/10/45/564081045.db2.gz OQKYEWDHIAEBPC-UHFFFAOYSA-N 0 0 340.770 4.566 50 0 EJAARN O=C1c2ccccc2[C@@H]2C[C@H](SCc3ccccc3)c3cccn3N12 ZINC000075278995 564081420 /nfs/dbraw/zinc/08/14/20/564081420.db2.gz ZZHRXUVMOKNSDH-PMACEKPBSA-N 0 0 346.455 4.699 50 0 EJAARN Nn1c(=O)cc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 ZINC000075283833 564081511 /nfs/dbraw/zinc/08/15/11/564081511.db2.gz KETPLTQEMZVLHL-UHFFFAOYSA-N 0 0 338.410 4.563 50 0 EJAARN O=C(CSc1cc(Cl)ccc1Cl)c1ccc2c(c1)OCO2 ZINC000007253989 564082073 /nfs/dbraw/zinc/08/20/73/564082073.db2.gz NUCFGRQPLATWLK-UHFFFAOYSA-N 0 0 341.215 4.697 50 0 EJAARN O=C(NCc1ccc(-c2ccco2)o1)C1(c2cccs2)CCCC1 ZINC000575607907 564082420 /nfs/dbraw/zinc/08/24/20/564082420.db2.gz FFSCTMGVKCVOOZ-UHFFFAOYSA-N 0 0 341.432 4.729 50 0 EJAARN CC(=O)N1c2cc(C)cc(C)c2[C@@H]2OCC[C@@H]2[C@H]1c1cccs1 ZINC000000528372 564082851 /nfs/dbraw/zinc/08/28/51/564082851.db2.gz NOCGPOGIVZUDDQ-MDASCCDHSA-N 0 0 327.449 4.550 50 0 EJAARN O=C(Cc1ccccc1)Oc1cc2ccc1CCc1ccc(cc1)CC2 ZINC000006222913 564083060 /nfs/dbraw/zinc/08/30/60/564083060.db2.gz JUSYSHSFHZDSBO-UHFFFAOYSA-N 0 0 342.438 4.719 50 0 EJAARN Cc1csc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)n1 ZINC000006223627 564083065 /nfs/dbraw/zinc/08/30/65/564083065.db2.gz FTRJBHUPZTZWRH-UHFFFAOYSA-N 0 0 345.427 4.919 50 0 aggregator EJAARN O=C(c1cc2ccccc2s1)N1CCc2sc(Cl)cc2C1 ZINC000575616865 564083520 /nfs/dbraw/zinc/08/35/20/564083520.db2.gz RWJNCCLASQQWNT-UHFFFAOYSA-N 0 0 333.865 4.815 50 0 EJAARN C[C@H](CC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000006286350 564083596 /nfs/dbraw/zinc/08/35/96/564083596.db2.gz AOXRSKUULCGCFZ-OQJZXCMRSA-N 0 0 325.496 4.901 50 0 EJAARN CN(Cc1c(F)cccc1Cl)C(=O)Cc1cccc2ccccc21 ZINC000006308787 564083774 /nfs/dbraw/zinc/08/37/74/564083774.db2.gz IBDLHGWFCWQHKG-UHFFFAOYSA-N 0 0 341.813 4.833 50 0 EJAARN CSc1ccccc1C(=O)N[C@@H](C)Cc1csc2ccccc12 ZINC000575619302 564083780 /nfs/dbraw/zinc/08/37/80/564083780.db2.gz CYZHAXXYTGXFFT-ZDUSSCGKSA-N 0 0 341.501 4.984 50 0 EJAARN C[C@@H](Cc1csc2ccccc12)NC(=O)c1ccc(F)c(F)c1 ZINC000575620188 564083865 /nfs/dbraw/zinc/08/38/65/564083865.db2.gz IXXVWLIELBJPDS-NSHDSACASA-N 0 0 331.387 4.541 50 0 EJAARN CC(C)C[C@H](NC(=O)C[C@H]1CCO[C@@H](C(C)C)C1)c1cccs1 ZINC000222254295 564084295 /nfs/dbraw/zinc/08/42/95/564084295.db2.gz SIBXVZAITTWSIZ-YESZJQIVSA-N 0 0 337.529 4.793 50 0 EJAARN CC(=O)c1ccc(OCCCC(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000006328483 564085058 /nfs/dbraw/zinc/08/50/58/564085058.db2.gz KOIMPRKSGAGHFD-UHFFFAOYSA-N 0 0 345.826 4.649 50 0 EJAARN CSc1ccccc1C(=O)N(Cc1ccoc1)Cc1cccs1 ZINC000090612131 564085063 /nfs/dbraw/zinc/08/50/63/564085063.db2.gz QBYMFVMMKDEKCQ-UHFFFAOYSA-N 0 0 343.473 4.906 50 0 EJAARN Fc1ccc(-c2noc(Cc3nc(-c4cccs4)cs3)n2)cc1 ZINC000035592649 564085337 /nfs/dbraw/zinc/08/53/37/564085337.db2.gz NLMSZTYOZKZAMX-UHFFFAOYSA-N 0 0 343.408 4.652 50 0 EJAARN O=C(Cc1c[nH]c2ccccc12)OCc1csc(-c2ccccc2)n1 ZINC000006383966 564085406 /nfs/dbraw/zinc/08/54/06/564085406.db2.gz PGPZLZNSHCBCGH-UHFFFAOYSA-N 0 0 348.427 4.577 50 0 EJAARN CCc1ccc(N2C(=S)N=NC2CSCc2ccccc2)cc1 ZINC000006388134 564085456 /nfs/dbraw/zinc/08/54/56/564085456.db2.gz BIKICJVAYXOLKK-UHFFFAOYSA-N 0 0 341.505 4.552 50 0 EJAARN CCNc1nc(-c2cccnc2)nc2scc(-c3ccccc3)c21 ZINC000006399666 564085524 /nfs/dbraw/zinc/08/55/24/564085524.db2.gz TXQVPYCKJRUIQJ-UHFFFAOYSA-N 0 0 332.432 4.852 50 0 EJAARN Cc1ccc(N2C(=S)N=NC2Cc2c(F)cccc2Cl)c(C)c1 ZINC000006400414 564085555 /nfs/dbraw/zinc/08/55/55/564085555.db2.gz KCEJHMVCKIDUEE-UHFFFAOYSA-N 0 0 347.846 4.556 50 0 EJAARN CCc1ccc(C(=O)CCC(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000012982151 564085707 /nfs/dbraw/zinc/08/57/07/564085707.db2.gz UCVOWPQLYQITTQ-UHFFFAOYSA-N 0 0 329.827 4.812 50 0 EJAARN Cc1ccc(NC(=O)CCCC(=O)c2cccs2)c2cccnc12 ZINC000012986618 564085737 /nfs/dbraw/zinc/08/57/37/564085737.db2.gz TVVMUBMANCVXBE-UHFFFAOYSA-N 0 0 338.432 4.596 50 0 EJAARN CC(C)c1nc2cc(CCC(=O)Nc3ccc(Cl)cc3)ccc2[nH]1 ZINC000075465721 564085975 /nfs/dbraw/zinc/08/59/75/564085975.db2.gz SPLDAYIKUOECQS-UHFFFAOYSA-N 0 0 341.842 4.911 50 0 EJAARN CCc1nc2cc(CCC(=O)Nc3ccc(C(C)C)cc3)ccc2[nH]1 ZINC000075465562 564085983 /nfs/dbraw/zinc/08/59/83/564085983.db2.gz ZTEZVCHVOITXGF-UHFFFAOYSA-N 0 0 335.451 4.820 50 0 EJAARN CCc1ccc(NC(=O)CCc2ccc3[nH]c(C(C)C)nc3c2)cc1 ZINC000075465735 564086060 /nfs/dbraw/zinc/08/60/60/564086060.db2.gz VBZALKDAUXJVDU-UHFFFAOYSA-N 0 0 335.451 4.820 50 0 EJAARN ON=c1s[nH]c(N2CCCC2)c1Nc1cc(Cl)ccc1Cl ZINC000075286971 564086231 /nfs/dbraw/zinc/08/62/31/564086231.db2.gz PNJSUOMNMRRGHT-UHFFFAOYSA-N 0 0 345.255 4.595 50 0 EJAARN O=C(Nc1c(F)cccc1F)N(Cc1ccoc1)Cc1cccs1 ZINC000090748110 564086350 /nfs/dbraw/zinc/08/63/50/564086350.db2.gz XUCNCYXDRAGLPU-UHFFFAOYSA-N 0 0 348.374 4.854 50 0 EJAARN O=C(Nc1cccc(Cl)c1)N[C@H]1CCSc2ccc(F)cc21 ZINC000013001387 564086354 /nfs/dbraw/zinc/08/63/54/564086354.db2.gz UICWEGICCCVOPZ-AWEZNQCLSA-N 0 0 336.819 4.838 50 0 EJAARN CCc1ccccc1NC(=O)CCc1ccc2[nH]c(C(C)C)nc2c1 ZINC000075478730 564086630 /nfs/dbraw/zinc/08/66/30/564086630.db2.gz ZZEYNVCKEDCQES-UHFFFAOYSA-N 0 0 335.451 4.820 50 0 EJAARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1C ZINC000006439028 564086790 /nfs/dbraw/zinc/08/67/90/564086790.db2.gz MSYYUWIGBSNGQV-ZDUSSCGKSA-N 0 0 337.341 4.728 50 0 EJAARN CC1=C(C(=O)Nc2ccc(C)cc2Cl)C2(CCCCCC2)OC1=O ZINC000006933608 564086793 /nfs/dbraw/zinc/08/67/93/564086793.db2.gz OOKIRHKQTLTBAO-UHFFFAOYSA-N 0 0 347.842 4.553 50 0 EJAARN O=C(CCSCc1ccc(Cl)cc1)N1CCc2ccccc21 ZINC000013021294 564086892 /nfs/dbraw/zinc/08/68/92/564086892.db2.gz KUNXXQUADKPLSN-UHFFFAOYSA-N 0 0 331.868 4.553 50 0 EJAARN O=[S@@](Cc1cc(-c2ccccc2)on1)Cc1cccc2ccccc21 ZINC000075495509 564087049 /nfs/dbraw/zinc/08/70/49/564087049.db2.gz VDMRCRXYGZFBOD-VWLOTQADSA-N 0 0 347.439 4.944 50 0 EJAARN COc1ccc(N=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)c(N)c1 ZINC000006996135 564087095 /nfs/dbraw/zinc/08/70/95/564087095.db2.gz UQPKMPATRDZFSG-UHFFFAOYSA-N 0 0 340.467 4.878 50 0 EJAARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@H]2C1 ZINC000004081561 564087127 /nfs/dbraw/zinc/08/71/27/564087127.db2.gz FDCINQSOYQUNKB-TYINLYHXSA-N 0 0 332.484 4.530 50 0 biogenic EJAARN O=C(c1csc(-c2ccncc2)n1)N(CC1CCC1)c1ccccc1 ZINC000151171531 564087437 /nfs/dbraw/zinc/08/74/37/564087437.db2.gz DUPDGXHUKMWYSA-UHFFFAOYSA-N 0 0 349.459 4.652 50 0 EJAARN c1ccc(CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 ZINC000000351371 564087737 /nfs/dbraw/zinc/08/77/37/564087737.db2.gz BOZJEWJQHLEDTM-UHFFFAOYSA-N 0 0 344.443 4.622 50 0 EJAARN Cc1ccc(C(=O)Nc2nc(-c3ccccc3Cl)ns2)cc1F ZINC000075610207 564089836 /nfs/dbraw/zinc/08/98/36/564089836.db2.gz ZJTGOFISSRCLEA-UHFFFAOYSA-N 0 0 347.802 4.558 50 0 EJAARN CC(N=Nc1nc2ccccc2c(-c2ccccc2)n1)c1cccnc1 ZINC000252452505 564090121 /nfs/dbraw/zinc/09/01/21/564090121.db2.gz MJITWKZRUFJVTF-UHFFFAOYSA-N 0 0 339.402 4.528 50 0 EJAARN C=Cc1ccc(COc2cc(C)cc3oc(=O)c4c(c23)CCC4)cc1 ZINC000000403728 564090500 /nfs/dbraw/zinc/09/05/00/564090500.db2.gz YHROTRNOIVWLAG-UHFFFAOYSA-N 0 0 332.399 4.812 50 0 biogenic EJAARN CC(=O)N(CC[C@H](c1ccco1)c1ccc(C)cc1)Cc1ccco1 ZINC000000460165 564090504 /nfs/dbraw/zinc/09/05/04/564090504.db2.gz GGOKQDCYXSYLEP-FQEVSTJZSA-N 0 0 337.419 4.752 50 0 biogenic EJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H](CC)c1ccccc1 ZINC000000482818 564090508 /nfs/dbraw/zinc/09/05/08/564090508.db2.gz UPGNACKWEGQRBG-HNNXBMFYSA-N 0 0 345.464 4.674 50 0 EJAARN CC(C)Oc1ccc([C@H](CC(=O)N2CCCC2)c2ccccc2)cc1 ZINC000000487947 564090513 /nfs/dbraw/zinc/09/05/13/564090513.db2.gz IWULHUSXJHRRTB-OAQYLSRUSA-N 0 0 337.463 4.618 50 0 biogenic EJAARN CCOC(=O)c1oc2ccc3c(C)cc(=O)oc3c2c1-c1ccccc1 ZINC000000485713 564090521 /nfs/dbraw/zinc/09/05/21/564090521.db2.gz GCZCBYBQAQMIPQ-UHFFFAOYSA-N 0 0 348.354 4.691 50 0 biogenic EJAARN CCn1c(SCc2ccc(C)cc2)nc2sc(C)c(C)c2c1=O ZINC000000528257 564090628 /nfs/dbraw/zinc/09/06/28/564090628.db2.gz PHWSEIMAYZGTML-UHFFFAOYSA-N 0 0 344.505 4.695 50 0 EJAARN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc([C@H]2CCCCO2)o1 ZINC000521393892 564090876 /nfs/dbraw/zinc/09/08/76/564090876.db2.gz LBAGWRVEQPEEQK-TZMCWYRMSA-N 0 0 336.819 4.721 50 0 EJAARN COc1cccc(C(=O)OC2c3ccccc3-c3ccccc32)c1OC ZINC000006509918 564091247 /nfs/dbraw/zinc/09/12/47/564091247.db2.gz ALEBMVWBZXEMMV-UHFFFAOYSA-N 0 0 346.382 4.631 50 0 EJAARN CCOc1ccccc1[C@H]1Nc2ccc(F)cc2[C@H]2OCCC[C@@H]12 ZINC000016651716 564091421 /nfs/dbraw/zinc/09/14/21/564091421.db2.gz RLKQCEGHUWDABO-BEVDRBHNSA-N 0 0 327.399 4.859 50 0 EJAARN Cc1ccccc1Nc1c(C(=O)N2CCCC2)cnc2ccc(F)cc21 ZINC000064471784 564091495 /nfs/dbraw/zinc/09/14/95/564091495.db2.gz NXXBTPOYQZXZFV-UHFFFAOYSA-N 0 0 349.409 4.662 50 0 EJAARN O=C(Nc1cc(Cl)ccc1Cl)c1ccc(OC(F)F)cc1 ZINC000006560649 564092062 /nfs/dbraw/zinc/09/20/62/564092062.db2.gz ZAEVIONAVAZZPX-UHFFFAOYSA-N 0 0 332.133 4.847 50 0 EJAARN O=C(CNc1ccc(F)cc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000007971676 564092160 /nfs/dbraw/zinc/09/21/60/564092160.db2.gz IXXHDZZULCTFFS-UHFFFAOYSA-N 0 0 336.366 4.669 50 0 EJAARN O=C(c1cc(Nc2cccc(F)c2)c2ccccc2n1)N1CCCCC1 ZINC000064568360 564092256 /nfs/dbraw/zinc/09/22/56/564092256.db2.gz RNZXHCGGBPLIHR-UHFFFAOYSA-N 0 0 349.409 4.744 50 0 EJAARN CCCCCc1ccc(-c2ccc(C(=O)Nc3ncccn3)cc2)nc1 ZINC000002028685 564092559 /nfs/dbraw/zinc/09/25/59/564092559.db2.gz PHVJCQGMYREUNY-UHFFFAOYSA-N 0 0 346.434 4.524 50 0 EJAARN O=C(CNc1cccc(F)c1)Nc1ccc(Oc2ccccc2)cc1 ZINC000007971926 564092631 /nfs/dbraw/zinc/09/26/31/564092631.db2.gz YZWRKKYPFWDQSK-UHFFFAOYSA-N 0 0 336.366 4.669 50 0 EJAARN CCCc1cc(Nc2ccc(C)c(C)c2)n2nc(-c3ccco3)nc2n1 ZINC000064592783 564092658 /nfs/dbraw/zinc/09/26/58/564092658.db2.gz PEDMBDGNAHYZBQ-UHFFFAOYSA-N 0 0 347.422 4.697 50 0 EJAARN COc1cc(NC(=O)c2ccccc2Oc2ccccc2)cc(OC)c1 ZINC000006600175 564092665 /nfs/dbraw/zinc/09/26/65/564092665.db2.gz UEVXOQJPMGBQAR-UHFFFAOYSA-N 0 0 349.386 4.748 50 0 EJAARN Cc1occc1C(=O)N(Cc1cccs1)c1ccc(F)cc1F ZINC000089540578 564092753 /nfs/dbraw/zinc/09/27/53/564092753.db2.gz IZLCBZNNFAGWJK-UHFFFAOYSA-N 0 0 333.359 4.775 50 0 EJAARN Cc1ccc(C(=O)Nc2c(-c3cccs3)nc3ccc(C)cn32)cc1 ZINC000027023755 564093070 /nfs/dbraw/zinc/09/30/70/564093070.db2.gz PCFSDDHTGOWLHE-UHFFFAOYSA-N 0 0 347.443 4.932 50 0 EJAARN C[C@@H](CC(=O)NCCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000006606770 564093130 /nfs/dbraw/zinc/09/31/30/564093130.db2.gz ZLGMUOLKASPMIP-ZDUSSCGKSA-N 0 0 336.262 4.846 50 0 EJAARN Cc1nc(COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)cs1 ZINC000006607261 564093170 /nfs/dbraw/zinc/09/31/70/564093170.db2.gz LYGZISMQIFJJLK-UHFFFAOYSA-N 0 0 343.835 4.915 50 0 EJAARN Cc1ccsc1-c1ccc(C(=O)N(C)CCC[C@H]2CCCO2)cc1 ZINC000426389570 564093586 /nfs/dbraw/zinc/09/35/86/564093586.db2.gz DLKMZSOEVJUDSJ-SFHVURJKSA-N 0 0 343.492 4.755 50 0 EJAARN CCSCCN(C(=O)N[C@H](C)c1ccc(C)nc1)C1CCCCC1 ZINC000426523264 564093988 /nfs/dbraw/zinc/09/39/88/564093988.db2.gz VWELYJDKZGNYSZ-MRXNPFEDSA-N 0 0 349.544 4.548 50 0 EJAARN Cc1cccc(NS(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)c1 ZINC000006623262 564094552 /nfs/dbraw/zinc/09/45/52/564094552.db2.gz PMXJIANMHVKGNK-UHFFFAOYSA-N 0 0 331.481 4.710 50 0 EJAARN Cc1nc(-c2ccc(-c3noc(-c4ccccc4F)n3)cc2)cs1 ZINC000064669102 564095024 /nfs/dbraw/zinc/09/50/24/564095024.db2.gz IHULWTSLVOOPMY-UHFFFAOYSA-N 0 0 337.379 4.975 50 0 EJAARN Cc1csc(SCC(=O)Nc2ccc(-c3ccccc3)cc2)n1 ZINC000006649303 564095098 /nfs/dbraw/zinc/09/50/98/564095098.db2.gz LKPNXEJASBJNEO-UHFFFAOYSA-N 0 0 340.473 4.849 50 0 EJAARN Cc1ccc(-c2nc(C(=O)N3c4ccccc4C[C@@H]3C)cs2)s1 ZINC000064676511 564095204 /nfs/dbraw/zinc/09/52/04/564095204.db2.gz VLFAXTBFBIJQKW-NSHDSACASA-N 0 0 340.473 4.771 50 0 EJAARN Cc1nc(-c2cccc(-c3noc(-c4ccc(F)cc4)n3)c2)cs1 ZINC000064676984 564095248 /nfs/dbraw/zinc/09/52/48/564095248.db2.gz PHLYEBRFNCRETR-UHFFFAOYSA-N 0 0 337.379 4.975 50 0 EJAARN Cc1nc(-c2ccc(C(=O)Nc3ccc(F)cc3C)cc2)cs1 ZINC000064677391 564095350 /nfs/dbraw/zinc/09/53/50/564095350.db2.gz QYZXUAFVRQANGK-UHFFFAOYSA-N 0 0 326.396 4.818 50 0 EJAARN CCc1nc(-c2ccc(C(=O)NCc3ccc(C)cc3)cc2)cs1 ZINC000064677427 564095355 /nfs/dbraw/zinc/09/53/55/564095355.db2.gz KYNMSODHGQDODA-UHFFFAOYSA-N 0 0 336.460 4.611 50 0 EJAARN O=C(c1ccc(-c2csc(C3CC3)n2)cc1)N1CCc2ccccc21 ZINC000064677554 564095395 /nfs/dbraw/zinc/09/53/95/564095395.db2.gz QEINLFOLXGIGMD-UHFFFAOYSA-N 0 0 346.455 4.890 50 0 EJAARN Cc1ccc2nc(NC(=O)CCc3ccccc3Cl)sc2c1 ZINC000006651290 564095463 /nfs/dbraw/zinc/09/54/63/564095463.db2.gz QUNKMPWFKCXQEV-UHFFFAOYSA-N 0 0 330.840 4.829 50 0 EJAARN O=C(CCc1ccsc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000006657867 564095524 /nfs/dbraw/zinc/09/55/24/564095524.db2.gz YFCJSGYHCJFCAE-UHFFFAOYSA-N 0 0 347.443 4.863 50 0 EJAARN COc1c(C(=O)NCc2cccc(Cl)c2)sc2cccc(F)c21 ZINC000064756344 564095903 /nfs/dbraw/zinc/09/59/03/564095903.db2.gz ZDWZSLAIRZMXPO-UHFFFAOYSA-N 0 0 349.814 4.632 50 0 EJAARN COc1c(C(=O)N[C@@H](C)c2ccccc2)sc2cccc(F)c21 ZINC000064756307 564095923 /nfs/dbraw/zinc/09/59/23/564095923.db2.gz WYJSMKJLRROYST-NSHDSACASA-N 0 0 329.396 4.540 50 0 EJAARN CCN(Cc1ccncc1)C(=O)c1sc2ccccc2c1Cl ZINC000006700280 564096172 /nfs/dbraw/zinc/09/61/72/564096172.db2.gz ZNQFTZSGHLGQFJ-UHFFFAOYSA-N 0 0 330.840 4.612 50 0 EJAARN CCc1ccc(-c2cc(C(=O)N(C)C)c3cc(Cl)ccc3n2)s1 ZINC000006710261 564096286 /nfs/dbraw/zinc/09/62/86/564096286.db2.gz UORCSIGPCLMVRH-UHFFFAOYSA-N 0 0 344.867 4.881 50 0 EJAARN O=C(c1ccc(Cl)cc1)N(Cc1ccco1)Cc1ccccc1F ZINC000006747626 564096946 /nfs/dbraw/zinc/09/69/46/564096946.db2.gz DFHWMWCQVMMCLS-UHFFFAOYSA-N 0 0 343.785 4.915 50 0 EJAARN Cc1c(Cl)cccc1Nc1nc2ccc(Cl)cc2n2cnnc12 ZINC000006786015 564097717 /nfs/dbraw/zinc/09/77/17/564097717.db2.gz GKSFYICQMFJPLU-UHFFFAOYSA-N 0 0 344.205 4.636 50 0 EJAARN O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)c1ccncc1 ZINC000006786066 564097738 /nfs/dbraw/zinc/09/77/38/564097738.db2.gz NARMIPCBKCTYDL-UHFFFAOYSA-N 0 0 345.427 4.534 50 0 EJAARN Cc1[nH]c2ccc(CNC(=O)Nc3ccc(Cl)cc3)cc2c1C ZINC000006810094 564098488 /nfs/dbraw/zinc/09/84/88/564098488.db2.gz AGLMGRXWDNPFQV-UHFFFAOYSA-N 0 0 327.815 4.760 50 0 EJAARN O=C(c1ccccc1F)N(Cc1ccco1)Cc1cccc(Cl)c1 ZINC000006810654 564098519 /nfs/dbraw/zinc/09/85/19/564098519.db2.gz AMNKFUATHHNAIE-UHFFFAOYSA-N 0 0 343.785 4.915 50 0 EJAARN Cc1cc2oc(C(=O)Nc3cccc(Cl)c3C)cc(=O)c2cc1C ZINC000006811392 564098637 /nfs/dbraw/zinc/09/86/37/564098637.db2.gz VYFJUGQEMKXWEM-UHFFFAOYSA-N 0 0 341.794 4.624 50 0 EJAARN Cc1ccc(C2=NC(=CNc3cc(Cl)ccc3Cl)C(=O)O2)cc1 ZINC000006814986 564098674 /nfs/dbraw/zinc/09/86/74/564098674.db2.gz IIYHWLVJKNLQMM-OQLLNIDSSA-N 0 0 347.201 4.559 50 0 EJAARN Cc1ccc2c(CC(=O)Nc3ccccc3N3CCCCC3)coc2c1 ZINC000006821931 564098858 /nfs/dbraw/zinc/09/88/58/564098858.db2.gz RQKLXTWWOGNQMY-UHFFFAOYSA-N 0 0 348.446 4.913 50 0 EJAARN Cc1cc(C)n(-c2nc3cc(C)ccc3nc2Nc2ccc(F)cc2)n1 ZINC000006822101 564098864 /nfs/dbraw/zinc/09/88/64/564098864.db2.gz NSARWYCXGFBDIL-UHFFFAOYSA-N 0 0 347.397 4.623 50 0 EJAARN CCOc1ccccc1NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000006839543 564099305 /nfs/dbraw/zinc/09/93/05/564099305.db2.gz BKMWHCGDEJZSPQ-UHFFFAOYSA-N 0 0 347.414 4.917 50 0 EJAARN COc1ccc(C(=O)[C@H](Nc2ccccc2)c2ccc(OC)cc2)cc1 ZINC000002036606 564099336 /nfs/dbraw/zinc/09/93/36/564099336.db2.gz ORTUWVAVWIPHBH-OAQYLSRUSA-N 0 0 347.414 4.740 50 0 EJAARN COc1ccc(OC)c(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)c1 ZINC000006839876 564099338 /nfs/dbraw/zinc/09/93/38/564099338.db2.gz FPBXFNMWBBXMTF-SFHVURJKSA-N 0 0 347.842 4.736 50 0 EJAARN CCc1ccccc1N(CC)C(=O)c1cccc2c1SCCC2=O ZINC000006841686 564099392 /nfs/dbraw/zinc/09/93/92/564099392.db2.gz ZMYRPLFCVJCRQZ-UHFFFAOYSA-N 0 0 339.460 4.594 50 0 EJAARN CC[C@H]1CN(C(=O)Nc2ccccc2C)c2cc(Cl)ccc2O1 ZINC000006843016 564099477 /nfs/dbraw/zinc/09/94/77/564099477.db2.gz DPSWUSVBEQNEGA-AWEZNQCLSA-N 0 0 330.815 4.858 50 0 EJAARN CC[C@H]1CN(C(=O)Nc2ccc(F)c(Cl)c2)c2ccccc2O1 ZINC000006844383 564099513 /nfs/dbraw/zinc/09/95/13/564099513.db2.gz ITPWAKXKSPBDNP-LBPRGKRZSA-N 0 0 334.778 4.689 50 0 EJAARN O=C(Nc1ccc(Oc2ccncc2)cc1)[C@@H]1CCCc2ccccc21 ZINC000065022931 564099662 /nfs/dbraw/zinc/09/96/62/564099662.db2.gz WDARHPOFUYBMIL-OAQYLSRUSA-N 0 0 344.414 4.933 50 0 EJAARN CSc1ccc(CNC(=O)c2cncc(-c3ccc(C)cc3)c2)cc1 ZINC000065029641 564099711 /nfs/dbraw/zinc/09/97/11/564099711.db2.gz HHPKZPMFHBTBDQ-UHFFFAOYSA-N 0 0 348.471 4.709 50 0 EJAARN CCOc1ccccc1NC(=O)c1ccc(-c2cccc(F)c2)nc1 ZINC000065030116 564099716 /nfs/dbraw/zinc/09/97/16/564099716.db2.gz DVAVHZSILVDBGG-UHFFFAOYSA-N 0 0 336.366 4.539 50 0 EJAARN COC(=O)c1cc(OCc2cccc(Cl)c2)c2cc(C)ccc2n1 ZINC000065033141 564099827 /nfs/dbraw/zinc/09/98/27/564099827.db2.gz BQYSJYODXMRKLX-UHFFFAOYSA-N 0 0 341.794 4.562 50 0 EJAARN C=Cc1ccc(COc2cc(C(=O)OC)nc3ccc(C)cc32)cc1 ZINC000065033148 564099844 /nfs/dbraw/zinc/09/98/44/564099844.db2.gz AVZKBEZBQHUDMU-UHFFFAOYSA-N 0 0 333.387 4.552 50 0 EJAARN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N(C)Cc1cccc(F)c1 ZINC000006861464 564099863 /nfs/dbraw/zinc/09/98/63/564099863.db2.gz OHCCMVJVEZHNJA-HOTGVXAUSA-N 0 0 342.458 4.798 50 0 EJAARN COC(=O)c1cc(Nc2ccccc2Cl)c2cc(C)ccc2n1 ZINC000065033548 564099885 /nfs/dbraw/zinc/09/98/85/564099885.db2.gz LXIIKJHDRJUMEF-UHFFFAOYSA-N 0 0 326.783 4.727 50 0 EJAARN CNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000006871703 564100197 /nfs/dbraw/zinc/10/01/97/564100197.db2.gz SNFQILOZOIILID-UHFFFAOYSA-N 0 0 334.810 4.783 50 0 EJAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(F)cc1F ZINC000006888747 564100755 /nfs/dbraw/zinc/10/07/55/564100755.db2.gz NDUPIKGOYJSBKG-UHFFFAOYSA-N 0 0 335.659 4.889 50 0 EJAARN Clc1ccc(Nc2ncncc2-c2nc(-c3ccccc3)no2)cc1 ZINC000169780173 564100849 /nfs/dbraw/zinc/10/08/49/564100849.db2.gz WHUUJDNQNVNGAJ-UHFFFAOYSA-N 0 0 349.781 4.591 50 0 EJAARN Cc1ccc(Nc2c(=O)c(=O)c2-c2ccc(C(C)C)cc2)cc1Cl ZINC000006893409 564100885 /nfs/dbraw/zinc/10/08/85/564100885.db2.gz JEQLTELHRBTOKC-UHFFFAOYSA-N 0 0 339.822 4.778 50 0 EJAARN CCc1ccccc1Nc1c(C(=O)OC(C)C)cnc2nc(C)ccc21 ZINC000065114297 564101236 /nfs/dbraw/zinc/10/12/36/564101236.db2.gz JNQZKMBEPKDFTJ-UHFFFAOYSA-N 0 0 349.434 4.809 50 0 EJAARN CC(=O)c1cccc(NC(=O)c2ccc(-c3csc(C)n3)cc2)c1 ZINC000065117686 564101334 /nfs/dbraw/zinc/10/13/34/564101334.db2.gz JNUQAPIGFGCZHR-UHFFFAOYSA-N 0 0 336.416 4.573 50 0 EJAARN CC(=O)Nc1ccc(SCC(=O)c2cc(C)n(C(C)C)c2C)cc1 ZINC000006919772 564101407 /nfs/dbraw/zinc/10/14/07/564101407.db2.gz RKCYUINKKYUCTG-UHFFFAOYSA-N 0 0 344.480 4.619 50 0 EJAARN CCc1nc(-n2cccc2)sc1C(=O)Nc1ccc(Cl)c(C)c1 ZINC000065118463 564101436 /nfs/dbraw/zinc/10/14/36/564101436.db2.gz VNQCXXFUPQMZMF-UHFFFAOYSA-N 0 0 345.855 4.710 50 0 EJAARN CCn1nccc1-c1cccc(-c2noc(-c3ccccc3C)n2)c1 ZINC000065137334 564101532 /nfs/dbraw/zinc/10/15/32/564101532.db2.gz YGKXWHFDESDASC-UHFFFAOYSA-N 0 0 330.391 4.595 50 0 EJAARN CCn1c(Cc2cccs2)nnc1SCc1ccc(Cl)cc1 ZINC000006961570 564102385 /nfs/dbraw/zinc/10/23/85/564102385.db2.gz JPNNIHLSVITLLQ-UHFFFAOYSA-N 0 0 349.912 4.896 50 0 EJAARN O=C(Nc1cccc(F)c1)N1CCC(CCOc2ccccc2)CC1 ZINC000065181382 564102390 /nfs/dbraw/zinc/10/23/90/564102390.db2.gz LAKVKMPVUKSBGI-UHFFFAOYSA-N 0 0 342.414 4.539 50 0 EJAARN Cc1nc(Nc2cccc(F)c2)sc1C(=O)Nc1ccccc1C ZINC000065184711 564102482 /nfs/dbraw/zinc/10/24/82/564102482.db2.gz ODBDGIOTYWNONM-UHFFFAOYSA-N 0 0 341.411 4.895 50 0 EJAARN Cc1nc(Nc2cccc(F)c2)sc1C(=O)Nc1ccc(C)cc1 ZINC000065184713 564102496 /nfs/dbraw/zinc/10/24/96/564102496.db2.gz CRBFIRSTUHSUQB-UHFFFAOYSA-N 0 0 341.411 4.895 50 0 EJAARN CCSc1ccc(-c2cccc(NC(=O)C3CCCCC3)c2)nn1 ZINC000065185877 564102526 /nfs/dbraw/zinc/10/25/26/564102526.db2.gz JUKYHZFZHXNYRY-UHFFFAOYSA-N 0 0 341.480 4.774 50 0 EJAARN CCSc1ccc(-c2cccc(NC(=O)CC3CCCC3)c2)nn1 ZINC000065185889 564102529 /nfs/dbraw/zinc/10/25/29/564102529.db2.gz ZMLUIUPFVHRNRD-UHFFFAOYSA-N 0 0 341.480 4.774 50 0 EJAARN COc1ccc([C@@H](NC(=O)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000006995306 564102749 /nfs/dbraw/zinc/10/27/49/564102749.db2.gz ONLMGCAZSHYWLE-NRFANRHFSA-N 0 0 331.415 4.523 50 0 EJAARN Cc1ccccc1NC(=O)Nc1cn(CC(C)C)c(=O)c2ccccc12 ZINC000007000949 564102965 /nfs/dbraw/zinc/10/29/65/564102965.db2.gz SYHOFDBAJMDGHV-UHFFFAOYSA-N 0 0 349.434 4.610 50 0 EJAARN O=C(Nc1ccccc1)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 ZINC000036705371 564105025 /nfs/dbraw/zinc/10/50/25/564105025.db2.gz AKZURFBAZQJEFO-UHFFFAOYSA-N 0 0 345.358 4.689 50 0 EJAARN C[C@H](CNc1ncnc2c(-c3ccccc3)noc21)c1ccccc1 ZINC000065329951 564105250 /nfs/dbraw/zinc/10/52/50/564105250.db2.gz AMGAZAKOUGQPJR-CQSZACIVSA-N 0 0 330.391 4.500 50 0 EJAARN O=C(Nc1ccccc1)Nc1cccc(-c2noc(-c3ccco3)n2)c1 ZINC000065330148 564105311 /nfs/dbraw/zinc/10/53/11/564105311.db2.gz JDWTVLCRTGQIII-UHFFFAOYSA-N 0 0 346.346 4.641 50 0 EJAARN Cc1nc(SCc2cn3cccc(C)c3n2)[nH]c1Cc1ccccc1 ZINC000036723717 564105458 /nfs/dbraw/zinc/10/54/58/564105458.db2.gz AXALFBIMBFDJLK-UHFFFAOYSA-N 0 0 348.475 4.557 50 0 EJAARN Cc1nc2ccc(N[C@@H](C)C(=O)Nc3cccc(Cl)c3)cc2s1 ZINC000007241960 564105909 /nfs/dbraw/zinc/10/59/09/564105909.db2.gz RRHJSUOAQNTXOY-JTQLQIEISA-N 0 0 345.855 4.697 50 0 EJAARN C[C@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(Cl)cc1Cl ZINC000007242257 564105911 /nfs/dbraw/zinc/10/59/11/564105911.db2.gz MAVZNLYDTPWIQW-NSHDSACASA-N 0 0 349.261 4.921 50 0 EJAARN CC(=O)Nc1cc(NC(=O)N(CC2CC2)C2CCCCC2)ccc1C ZINC000065490377 564106389 /nfs/dbraw/zinc/10/63/89/564106389.db2.gz TVVAGLGBGRRQNL-UHFFFAOYSA-N 0 0 343.471 4.530 50 0 EJAARN Cc1ccc2nc(N=NCc3ccco3)nc(-c3ccccc3)c2c1 ZINC000253618267 564106592 /nfs/dbraw/zinc/10/65/92/564106592.db2.gz NWSWUTNVGHJFOH-UHFFFAOYSA-N 0 0 328.375 4.644 50 0 EJAARN CC[C@H](C(=O)Nc1ccc(NCc2ccccn2)cc1)c1ccccc1 ZINC000065519087 564106797 /nfs/dbraw/zinc/10/67/97/564106797.db2.gz TYDQZEQTWJKQBH-NRFANRHFSA-N 0 0 345.446 4.826 50 0 EJAARN C[C@H](Nc1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000007382733 564107588 /nfs/dbraw/zinc/10/75/88/564107588.db2.gz SWPWIGOIYHHXQA-VIFPVBQESA-N 0 0 327.186 4.572 50 0 EJAARN Fc1ccc(C2(CNc3nc4ccccc4s3)CCOCC2)cc1 ZINC000065587357 564107758 /nfs/dbraw/zinc/10/77/58/564107758.db2.gz HSJPIVPSOUCEQW-UHFFFAOYSA-N 0 0 342.439 4.596 50 0 EJAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000007402310 564107910 /nfs/dbraw/zinc/10/79/10/564107910.db2.gz WILHHDPUXRIYMV-UHFFFAOYSA-N 0 0 347.890 4.689 50 0 EJAARN C[C@@H](Nc1ccc2oc(C3CC3)nc2c1)c1nnc(-c2ccccc2)o1 ZINC000065593082 564108032 /nfs/dbraw/zinc/10/80/32/564108032.db2.gz WTHUSQVFNVZQQV-GFCCVEGCSA-N 0 0 346.390 4.928 50 0 EJAARN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)Nc1ccccc1C ZINC000065606856 564108193 /nfs/dbraw/zinc/10/81/93/564108193.db2.gz IAENRHCHWNORAR-LJQANCHMSA-N 0 0 348.450 4.734 50 0 EJAARN CCc1cccc(C)c1Nc1c(-c2ccc(C)o2)nc2cnccn21 ZINC000007498963 564109219 /nfs/dbraw/zinc/10/92/19/564109219.db2.gz JMZZHIGUOHBSCE-UHFFFAOYSA-N 0 0 332.407 4.912 50 0 EJAARN Fc1cccc2c1ncnc2N(Cc1ccco1)Cc1cccs1 ZINC000170606576 564109646 /nfs/dbraw/zinc/10/96/46/564109646.db2.gz CUKISSHQIFURMX-UHFFFAOYSA-N 0 0 339.395 4.630 50 0 EJAARN Cc1cc(=O)c2sccc2n1Cc1csc(C2CCCCC2)n1 ZINC000170609004 564109714 /nfs/dbraw/zinc/10/97/14/564109714.db2.gz JQZBYYUHMAYTGX-UHFFFAOYSA-N 0 0 344.505 4.924 50 0 EJAARN Cc1cc(C(C)(C)C)cc(C)c1CSc1nc(=O)ccn1C1CC1 ZINC000170621741 564110224 /nfs/dbraw/zinc/11/02/24/564110224.db2.gz WPGOKFDENVAPRS-UHFFFAOYSA-N 0 0 342.508 4.785 50 0 EJAARN CC[C@@H](O)c1nc2ccccc2n1CCCOc1cc(C)ccc1C ZINC000007548919 564110325 /nfs/dbraw/zinc/11/03/25/564110325.db2.gz UKCQDXJQKRLTPV-LJQANCHMSA-N 0 0 338.451 4.566 50 0 EJAARN CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(-c3nccc(C)n3)cc2)C1(C)C ZINC000170627100 564110453 /nfs/dbraw/zinc/11/04/53/564110453.db2.gz SIWHGUZOEXLWNQ-QZTJIDSGSA-N 0 0 335.451 4.629 50 0 EJAARN COc1ccc(NC(=S)N(Cc2ccccc2)[C@H](C)C2CC2)cc1 ZINC000007561135 564110508 /nfs/dbraw/zinc/11/05/08/564110508.db2.gz BDOGBRSDRKWMSN-OAHLLOKOSA-N 0 0 340.492 4.693 50 0 EJAARN Cc1nn(C(C)C)c(C)c1NC(=O)N1CC[C@@H](C)CC[C@@H]1C(C)C ZINC000170630092 564110603 /nfs/dbraw/zinc/11/06/03/564110603.db2.gz WTUOMKNZIGCFKE-WMLDXEAASA-N 0 0 334.508 4.759 50 0 EJAARN CN(C(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C)C1CCCCCCC1 ZINC000170631356 564110684 /nfs/dbraw/zinc/11/06/84/564110684.db2.gz UYMUQBOQYKCYGM-SJLPKXTDSA-N 0 0 338.536 4.582 50 0 EJAARN CN(C(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C)C1CCCCCCC1 ZINC000170631352 564110689 /nfs/dbraw/zinc/11/06/89/564110689.db2.gz UYMUQBOQYKCYGM-FUHWJXTLSA-N 0 0 338.536 4.582 50 0 EJAARN CC(C)c1cc(C(=O)Nc2ccc3[nH]ccc3c2)n(-c2ccccc2)n1 ZINC000071286067 564110919 /nfs/dbraw/zinc/11/09/19/564110919.db2.gz RDWKVAJOWUTBQN-UHFFFAOYSA-N 0 0 344.418 4.729 50 0 EJAARN O=C(NCc1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013320433 564111464 /nfs/dbraw/zinc/11/14/64/564111464.db2.gz QSGVNOWCHSLUKJ-UHFFFAOYSA-N 0 0 346.711 4.820 50 0 EJAARN C[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccncc1 ZINC000013320481 564111465 /nfs/dbraw/zinc/11/14/65/564111465.db2.gz JCNXIDCATIXBOV-VIFPVBQESA-N 0 0 343.736 4.637 50 0 EJAARN Cc1nn(Cc2cccc(C)c2)c(C)c1NC(=O)Nc1ccccc1 ZINC000013331666 564111619 /nfs/dbraw/zinc/11/16/19/564111619.db2.gz QRXWKDVJZRVSIK-UHFFFAOYSA-N 0 0 334.423 4.501 50 0 EJAARN CC(=O)O[C@H](C(=O)N(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000005432038 564111744 /nfs/dbraw/zinc/11/17/44/564111744.db2.gz XOBBVCGDORYQQZ-NRFANRHFSA-N 0 0 345.398 4.656 50 0 EJAARN Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2Br)c(C)c1 ZINC000013746041 564111990 /nfs/dbraw/zinc/11/19/90/564111990.db2.gz WXBLZYLTHLOABN-CYBMUJFWSA-N 0 0 347.256 4.949 50 0 EJAARN O=C(Nc1nc2ccccc2s1)Nc1ccccc1Br ZINC000013745981 564111994 /nfs/dbraw/zinc/11/19/94/564111994.db2.gz BIKHSBVNOMYACB-UHFFFAOYSA-N 0 0 348.225 4.703 50 0 EJAARN O=C(NCCCCc1ccccc1)Nc1ccccc1Br ZINC000013746047 564111995 /nfs/dbraw/zinc/11/19/95/564111995.db2.gz LSRFKQMRJWBQFJ-UHFFFAOYSA-N 0 0 347.256 4.594 50 0 EJAARN COc1ccc(Cl)cc1-c1nc(C23CC4CC(CC(C4)C2)C3)no1 ZINC000014200133 564112290 /nfs/dbraw/zinc/11/22/90/564112290.db2.gz HLCBDGRTJKWLFP-UHFFFAOYSA-N 0 0 344.842 4.866 50 0 EJAARN CCn1ccnc1Sc1ncnc2scc(-c3ccccc3)c21 ZINC000014322155 564112405 /nfs/dbraw/zinc/11/24/05/564112405.db2.gz ZTGJICQHNBVROS-UHFFFAOYSA-N 0 0 338.461 4.726 50 0 EJAARN O=C(Nc1ccccc1Cl)c1ccc(COc2ccc(F)cc2)o1 ZINC000014373394 564112454 /nfs/dbraw/zinc/11/24/54/564112454.db2.gz BLUSLYYPOPGTHF-UHFFFAOYSA-N 0 0 345.757 4.903 50 0 EJAARN Cc1cc(CN(C)[C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)no1 ZINC000089604746 564112673 /nfs/dbraw/zinc/11/26/73/564112673.db2.gz MWXSIRVINZZBSJ-CYBMUJFWSA-N 0 0 345.830 4.793 50 0 EJAARN CSc1ccccc1NC(=O)c1cc(C)ccc1N(C)C(C)C ZINC000089611954 564112702 /nfs/dbraw/zinc/11/27/02/564112702.db2.gz STKUMQFYILVJTR-UHFFFAOYSA-N 0 0 328.481 4.814 50 0 EJAARN CCCNC(=O)c1ccc2nc(-c3ccc(C)cc3)cc(OCC)c2c1 ZINC000016846294 564113827 /nfs/dbraw/zinc/11/38/27/564113827.db2.gz MPMAXXLMGCXNMD-UHFFFAOYSA-N 0 0 348.446 4.749 50 0 EJAARN O=C(Nc1ccccc1CCC(F)(F)F)c1cccc(F)c1F ZINC000089813889 564113979 /nfs/dbraw/zinc/11/39/79/564113979.db2.gz OORPJGRORCTLRP-UHFFFAOYSA-N 0 0 329.268 4.712 50 0 EJAARN CC1CCC(N(C(=O)c2cc(-c3cccs3)on2)C2CC2)CC1 ZINC000089922625 564115450 /nfs/dbraw/zinc/11/54/50/564115450.db2.gz DAYFUJZLZRDOPI-UHFFFAOYSA-N 0 0 330.453 4.586 50 0 EJAARN Cc1c2cc(NC(=O)C(C)(C)C)ccc2oc1C(=O)c1ccccc1 ZINC000016993230 564116017 /nfs/dbraw/zinc/11/60/17/564116017.db2.gz KZNNYZPLDDDLHH-UHFFFAOYSA-N 0 0 335.403 4.957 50 0 EJAARN O=C(COc1cccc(F)c1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000014738370 564116154 /nfs/dbraw/zinc/11/61/54/564116154.db2.gz QVPPRFKEZRJIQH-UHFFFAOYSA-N 0 0 347.695 4.515 50 0 EJAARN Cc1ccc2cc(C(=O)N3C[C@@H](c4ccccc4C)C[C@H]3C)[nH]c2c1 ZINC000170634446 564116579 /nfs/dbraw/zinc/11/65/79/564116579.db2.gz DGNZUULCKOTSNO-AEFFLSMTSA-N 0 0 332.447 4.803 50 0 EJAARN Cc1nc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)sc1C ZINC000000474160 564116741 /nfs/dbraw/zinc/11/67/41/564116741.db2.gz GXFNYDHEIOFNBV-GQCTYLIASA-N 0 0 327.236 4.719 50 0 EJAARN Cc1cccc(C(=O)Nc2cccc(-c3cnc4ccccc4n3)c2)c1 ZINC000002871653 564117049 /nfs/dbraw/zinc/11/70/49/564117049.db2.gz ZPBGUULVWBKHPF-UHFFFAOYSA-N 0 0 339.398 4.858 50 0 aggregator EJAARN Cc1cccc(-c2nc(=S)c3c(n2C[C@@H]2CCCO2)CCCC3)c1 ZINC000002876708 564117092 /nfs/dbraw/zinc/11/70/92/564117092.db2.gz CFHZAIREYRLZPC-INIZCTEOSA-N 0 0 340.492 4.646 50 0 EJAARN Cc1cccc(-c2nc(=S)c3c(n2C[C@H]2CCCO2)CCCC3)c1 ZINC000002876707 564117103 /nfs/dbraw/zinc/11/71/03/564117103.db2.gz CFHZAIREYRLZPC-MRXNPFEDSA-N 0 0 340.492 4.646 50 0 EJAARN CCC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C ZINC000002099640 564117591 /nfs/dbraw/zinc/11/75/91/564117591.db2.gz ULJOJMSGJSWPSE-BHNQRHOYSA-N 0 0 342.479 4.616 50 0 biogenic EJAARN COc1ccccc1NC(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000000395161 564117673 /nfs/dbraw/zinc/11/76/73/564117673.db2.gz JYPVEPSDXKIORG-UHFFFAOYSA-N 0 0 346.430 4.930 50 0 EJAARN O=C1CCCN1c1cccc(N[C@H]2CCc3cc(Cl)ccc32)c1 ZINC000240551406 564117798 /nfs/dbraw/zinc/11/77/98/564117798.db2.gz GTLPUMCKBJPVOU-SFHVURJKSA-N 0 0 326.827 4.566 50 0 EJAARN COc1ccc2cc(/C=C/C(=O)N[C@H](C)c3cccs3)ccc2c1 ZINC000014938219 564118498 /nfs/dbraw/zinc/11/84/98/564118498.db2.gz IGRQZYZRTFOHSI-OAUONFCTSA-N 0 0 337.444 4.801 50 0 EJAARN O=C(Nc1cc(F)cc(NCC(F)(F)F)c1)c1ccoc1C1CC1 ZINC000252478488 564119122 /nfs/dbraw/zinc/11/91/22/564119122.db2.gz ANLBIWPBSLWKKU-UHFFFAOYSA-N 0 0 342.292 4.523 50 0 EJAARN Cc1ccc(CN(C)C(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)o1 ZINC000252488956 564119415 /nfs/dbraw/zinc/11/94/15/564119415.db2.gz JCRIRYSVPMQRFR-MRXNPFEDSA-N 0 0 349.434 4.553 50 0 EJAARN CCc1cc(=O)oc2c1ccc1c2CN(c2c(C)cc(C)cc2C)CO1 ZINC000002159126 564119566 /nfs/dbraw/zinc/11/95/66/564119566.db2.gz ORXFHZJZBANLTF-UHFFFAOYSA-N 0 0 349.430 4.637 50 0 biogenic EJAARN Cc1cc(C)cc(N2COc3c(C)c4oc(=O)c(C)c(C)c4cc3C2)c1 ZINC000002159067 564119592 /nfs/dbraw/zinc/11/95/92/564119592.db2.gz RNFLQJKPKMUVLN-UHFFFAOYSA-N 0 0 349.430 4.692 50 0 biogenic EJAARN O=C(c1ccc(F)cc1)N1CCS[C@@H](c2ccccc2Cl)CC1 ZINC000208045960 564119607 /nfs/dbraw/zinc/11/96/07/564119607.db2.gz IFPINRBZLVIPSI-QGZVFWFLSA-N 0 0 349.858 4.800 50 0 EJAARN CCCc1cc(=O)oc2c1ccc1c2CN(c2cc(C)ccc2C)CO1 ZINC000002159445 564119620 /nfs/dbraw/zinc/11/96/20/564119620.db2.gz MWXXATIEYKOMPD-UHFFFAOYSA-N 0 0 349.430 4.719 50 0 biogenic EJAARN Cc1ccc([C@@H]2CCCN2C(=O)CO[C@H]2CCCC[C@H]2C)cc1C ZINC000252516925 564120277 /nfs/dbraw/zinc/12/02/77/564120277.db2.gz XXMMUDTYLUWUJX-UXPWSPDFSA-N 0 0 329.484 4.562 50 0 EJAARN Clc1cccc([C@@H]2CCCN2c2nnc(-c3ccccn3)s2)c1 ZINC000252535686 564120548 /nfs/dbraw/zinc/12/05/48/564120548.db2.gz GOXYILAIBJWFDG-HNNXBMFYSA-N 0 0 342.855 4.595 50 0 EJAARN O=C1CCC[C@@H]1CCSc1nn(-c2ccccc2)c(=S)s1 ZINC000170651981 564120553 /nfs/dbraw/zinc/12/05/53/564120553.db2.gz JYJZNZPZBSNUPT-LLVKDONJSA-N 0 0 336.507 4.515 50 0 EJAARN Cc1occc1-c1nnc(SCc2cc(-c3cccs3)on2)o1 ZINC000007644265 564121475 /nfs/dbraw/zinc/12/14/75/564121475.db2.gz RFQLQLQEAOFGBF-UHFFFAOYSA-N 0 0 345.405 4.647 50 0 EJAARN Cc1oc(-c2ccco2)nc1C[S@@](=O)[C@H](C)c1ccc(Cl)cc1 ZINC000194542803 564121656 /nfs/dbraw/zinc/12/16/56/564121656.db2.gz CGLXPMCCBUZXQR-SFDCACGMSA-N 0 0 349.839 4.906 50 0 EJAARN Cc1oc(-c2ccco2)nc1C[S@](=O)[C@@H](C)c1ccc(Cl)cc1 ZINC000194542788 564121658 /nfs/dbraw/zinc/12/16/58/564121658.db2.gz CGLXPMCCBUZXQR-MYODQAERSA-N 0 0 349.839 4.906 50 0 EJAARN CCOc1ccccc1NC(=O)c1sc2cccc(F)c2c1C ZINC000007667419 564121735 /nfs/dbraw/zinc/12/17/35/564121735.db2.gz DRJXSGUVJCQTPD-UHFFFAOYSA-N 0 0 329.396 5.000 50 0 EJAARN C[C@@H](Oc1ccccc1)C(=O)Nc1nc2c(ccc3ccccc23)s1 ZINC000007670822 564121772 /nfs/dbraw/zinc/12/17/72/564121772.db2.gz CUGWHJBQCJCHMM-CYBMUJFWSA-N 0 0 348.427 4.856 50 0 EJAARN Cc1ccc([C@H](NC(=O)CCc2ccccc2)c2ccccc2)cc1 ZINC000007686016 564121910 /nfs/dbraw/zinc/12/19/10/564121910.db2.gz JJPMAURZVTXLIP-HSZRJFAPSA-N 0 0 329.443 4.833 50 0 EJAARN Cc1ccc([C@H](NC(=O)Cc2ccccc2F)c2ccccc2)cc1 ZINC000007686111 564121933 /nfs/dbraw/zinc/12/19/33/564121933.db2.gz TYWYBXQZKJFFRS-JOCHJYFZSA-N 0 0 333.406 4.582 50 0 EJAARN Cc1csc(N(C(=O)CCc2cccs2)c2ccccc2)n1 ZINC000007717628 564122168 /nfs/dbraw/zinc/12/21/68/564122168.db2.gz RYISGBHASNHQRP-UHFFFAOYSA-N 0 0 328.462 4.811 50 0 EJAARN Cc1nc2ccccc2c(SCCCC(=O)c2cccs2)n1 ZINC000007719494 564122235 /nfs/dbraw/zinc/12/22/35/564122235.db2.gz NDIDGNNBVKWKRJ-UHFFFAOYSA-N 0 0 328.462 4.755 50 0 EJAARN Cc1sc2nc(C)nc(Oc3ccc(-n4ccnc4)cc3)c2c1C ZINC000007725582 564122280 /nfs/dbraw/zinc/12/22/80/564122280.db2.gz MEONTJTYIDFCNR-UHFFFAOYSA-N 0 0 336.420 4.595 50 0 EJAARN O=C(N[C@@H](c1cccs1)c1ccc(F)cc1)c1cc(F)cc(F)c1 ZINC000007737492 564122421 /nfs/dbraw/zinc/12/24/21/564122421.db2.gz JZEUHGBPDKYQGW-QGZVFWFLSA-N 0 0 347.361 4.685 50 0 EJAARN Cc1c2cccc(F)c2oc1C(=O)N(CC(F)(F)F)[C@H](C)C1CC1 ZINC000007737646 564122483 /nfs/dbraw/zinc/12/24/83/564122483.db2.gz OONWWFSTMNGFHA-SNVBAGLBSA-N 0 0 343.320 4.683 50 0 EJAARN Cc1cc2nc(Oc3cccc4c3OC(C)(C)C4)c3ccccc3n2n1 ZINC000007737789 564122549 /nfs/dbraw/zinc/12/25/49/564122549.db2.gz AFCGUEOBOCMXAF-UHFFFAOYSA-N 0 0 345.402 4.697 50 0 EJAARN Cc1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)c2ccccc2n1 ZINC000007738068 564122580 /nfs/dbraw/zinc/12/25/80/564122580.db2.gz KGRHLQHYELSTGA-UHFFFAOYSA-N 0 0 345.446 4.786 50 0 EJAARN c1c[nH]c([C@@H](Nc2cccc(Oc3ccccc3)c2)c2cccnc2)n1 ZINC000195112592 564122779 /nfs/dbraw/zinc/12/27/79/564122779.db2.gz KMHDEMMIXQRSHA-FQEVSTJZSA-N 0 0 342.402 4.799 50 0 EJAARN CC(C)c1nc2ccc(N[C@H](c3ncc[nH]3)c3cccnc3)cc2s1 ZINC000195107421 564122785 /nfs/dbraw/zinc/12/27/85/564122785.db2.gz MEZONYMEABUXDJ-KRWDZBQOSA-N 0 0 349.463 4.739 50 0 EJAARN CCC(C)(C)c1ccc(OCC(=O)Nc2cc(F)ccc2C)cc1 ZINC000007776987 564123014 /nfs/dbraw/zinc/12/30/14/564123014.db2.gz IHPJILJQNITUBX-UHFFFAOYSA-N 0 0 329.415 4.839 50 0 EJAARN CC1(C)Cc2cccc(OCc3coc(-c4cccs4)n3)c2O1 ZINC000007778121 564123055 /nfs/dbraw/zinc/12/30/55/564123055.db2.gz JFOAXBLUTXGPTO-UHFFFAOYSA-N 0 0 327.405 4.696 50 0 EJAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1cc(Cl)ccc1C ZINC000007807926 564123746 /nfs/dbraw/zinc/12/37/46/564123746.db2.gz LAZZNCMNRWTTAN-UHFFFAOYSA-N 0 0 343.839 4.728 50 0 EJAARN O=C(NCCC1=CCCCC1)c1ccccc1SC[C@@H]1CCCO1 ZINC000027389971 564123973 /nfs/dbraw/zinc/12/39/73/564123973.db2.gz SRWIXRRPFWVVOY-KRWDZBQOSA-N 0 0 345.508 4.578 50 0 EJAARN Cc1cccc(OCCCC(=O)N[C@@H]2CCSc3ccccc32)c1 ZINC000007814073 564123977 /nfs/dbraw/zinc/12/39/77/564123977.db2.gz AMKXGSRWHQYFIV-GOSISDBHSA-N 0 0 341.476 4.507 50 0 EJAARN COc1cccc(Nc2nc(-c3[nH]c(C)c(C(C)=O)c3C)cs2)c1 ZINC000007843698 564124160 /nfs/dbraw/zinc/12/41/60/564124160.db2.gz HQSRRLAQYFGIPU-UHFFFAOYSA-N 0 0 341.436 4.710 50 0 EJAARN O=C1c2ccccc2N[C@H](c2ccc(Cl)c(Cl)c2)N1C1CC1 ZINC000007885969 564124416 /nfs/dbraw/zinc/12/44/16/564124416.db2.gz HWKXZBCZHXNEML-INIZCTEOSA-N 0 0 333.218 4.722 50 0 EJAARN COc1ccccc1CNC(=O)/C(=C/c1ccccc1)c1ccccc1 ZINC000002749472 564125035 /nfs/dbraw/zinc/12/50/35/564125035.db2.gz GFGPRRPZCFAYAC-LTGZKZEYSA-N 0 0 343.426 4.552 50 0 EJAARN CCCCn1nc(C)c(C(=O)Nc2cccc(Cl)c2)c1Cl ZINC000007917533 564125134 /nfs/dbraw/zinc/12/51/34/564125134.db2.gz NEQKSAKIENICCR-UHFFFAOYSA-N 0 0 326.227 4.551 50 0 EJAARN C[C@@H](N[C@H](C)c1ccc(Cl)cc1)c1nnc(-c2cccs2)o1 ZINC000007919228 564125248 /nfs/dbraw/zinc/12/52/48/564125248.db2.gz ZLESPCJLMTWWOW-GHMZBOCLSA-N 0 0 333.844 4.863 50 0 EJAARN C[C@H](N[C@@H](C)c1ccc(Cl)cc1)c1nnc(-c2cccs2)o1 ZINC000007919219 564125251 /nfs/dbraw/zinc/12/52/51/564125251.db2.gz ZLESPCJLMTWWOW-QWRGUYRKSA-N 0 0 333.844 4.863 50 0 EJAARN CC(C)[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000007924305 564125483 /nfs/dbraw/zinc/12/54/83/564125483.db2.gz DOGJVIWQJVENEH-GOSISDBHSA-N 0 0 335.369 4.761 50 0 EJAARN C[C@@H](Sc1ccc(F)c(F)c1)C(=O)Nc1ccc(Cl)cc1 ZINC000007927560 564125585 /nfs/dbraw/zinc/12/55/85/564125585.db2.gz UDTHRMPCOZGEGQ-SECBINFHSA-N 0 0 327.783 4.738 50 0 EJAARN COc1ccc(OC2CN(C(c3ccccc3)c3ccccc3)C2)cc1 ZINC000002548656 564128938 /nfs/dbraw/zinc/12/89/38/564128938.db2.gz DMVCICNOAXARMA-UHFFFAOYSA-N 0 0 345.442 4.548 50 0 EJAARN CCCCn1c(SCC)nc2sc3c(c2c1=O)CCCCC3 ZINC000002281455 564130217 /nfs/dbraw/zinc/13/02/17/564130217.db2.gz XXLOHEFDLDEGRV-UHFFFAOYSA-N 0 0 336.526 4.639 50 0 EJAARN Cc1cc(C)c(NC(=O)[C@H](C)c2ccc(C(=O)C(C)C)cc2)c(C)n1 ZINC000253392481 564130418 /nfs/dbraw/zinc/13/04/18/564130418.db2.gz CWVIRCFALJPBKM-OAHLLOKOSA-N 0 0 338.451 4.588 50 0 EJAARN c1nc(C2CCC2)sc1CN[C@@H](c1ccccc1)c1cccnc1 ZINC000253418659 564130886 /nfs/dbraw/zinc/13/08/86/564130886.db2.gz XSWXUSGPEVMMAD-IBGZPJMESA-N 0 0 335.476 4.685 50 0 EJAARN Cc1[nH]nc(-c2ccccc2)c1NC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000585123571 564133993 /nfs/dbraw/zinc/13/39/93/564133993.db2.gz CYLJXCSOSSXGSR-RTBURBONSA-N 0 0 345.446 4.908 50 0 EJAARN CC(C)Cc1ccc(/C=C/C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000002383642 564134223 /nfs/dbraw/zinc/13/42/23/564134223.db2.gz ISIQAXMEPJVWRK-FMIVXFBMSA-N 0 0 327.855 4.868 50 0 EJAARN Cc1ccc(-c2cc3ncc4c(n3n2)-c2cc(C)ccc2OC4)cc1 ZINC000013828331 564134472 /nfs/dbraw/zinc/13/44/72/564134472.db2.gz WRTTTZUPRMGIID-UHFFFAOYSA-N 0 0 327.387 4.573 50 0 EJAARN Cc1nc(/C=C/C(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)cs1 ZINC000010857961 564134789 /nfs/dbraw/zinc/13/47/89/564134789.db2.gz KKBYNZACGAFXBC-KBOKABMXSA-N 0 0 334.872 4.632 50 0 EJAARN COc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc1 ZINC000012818900 564135625 /nfs/dbraw/zinc/13/56/25/564135625.db2.gz VXUIKVTYDIQEFB-ZDUSSCGKSA-N 0 0 334.419 4.554 50 0 EJAARN C[C@@H]1C[C@H](OC(=O)Nc2ccccc2)[C@H]2C=C(Cl)C=C[C@@H]2S1 ZINC000012857580 564135657 /nfs/dbraw/zinc/13/56/57/564135657.db2.gz AVUMPMDHVMPXFL-FWYOQMDTSA-N 0 0 335.856 4.806 50 0 EJAARN Cc1cccc(C)c1NC(=O)CSCCOc1c(C)cccc1C ZINC000013023845 564135903 /nfs/dbraw/zinc/13/59/03/564135903.db2.gz XPWANPSLNJZTSH-UHFFFAOYSA-N 0 0 343.492 4.671 50 0 EJAARN Cc1cc(OCC(=O)N[C@@H]2CCCC[C@H]2C)c(C(C)C)cc1Cl ZINC000013062806 564135929 /nfs/dbraw/zinc/13/59/29/564135929.db2.gz FUVRSPZLXVQVES-CXAGYDPISA-N 0 0 337.891 4.846 50 0 EJAARN CCn1c2ccccc2n(CN(C)Cc2cccc(Cl)c2)c1=S ZINC000013072093 564135982 /nfs/dbraw/zinc/13/59/82/564135982.db2.gz GZAQDKPQTHCYCJ-UHFFFAOYSA-N 0 0 345.899 4.935 50 0 EJAARN CC(=O)c1cccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)c1 ZINC000007951674 564136115 /nfs/dbraw/zinc/13/61/15/564136115.db2.gz LZYRPUCJTWFRGH-UHFFFAOYSA-N 0 0 345.398 4.644 50 0 EJAARN CO[C@@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)c1ccccc1 ZINC000078890809 564137381 /nfs/dbraw/zinc/13/73/81/564137381.db2.gz XZCGCOAVMHYRRE-HXUWFJFHSA-N 0 0 332.403 4.756 50 0 EJAARN CCOc1cc(Cl)ccc1NC(=O)Nc1cccc(C(C)=O)c1 ZINC000079104524 564137914 /nfs/dbraw/zinc/13/79/14/564137914.db2.gz XXOZBSZNIHVXER-UHFFFAOYSA-N 0 0 332.787 4.585 50 0 EJAARN O=C(NCc1ccc(-c2ccoc2)cc1)c1ccccc1C(F)(F)F ZINC000390831130 564138682 /nfs/dbraw/zinc/13/86/82/564138682.db2.gz PURXUWFPSKBFAK-UHFFFAOYSA-N 0 0 345.320 4.895 50 0 EJAARN O=C(Nc1ccccc1C(F)(F)F)c1ccc([C@@H]2CCCOC2)cc1 ZINC000390834252 564138937 /nfs/dbraw/zinc/13/89/37/564138937.db2.gz VDZATHJNMAXOOS-OAHLLOKOSA-N 0 0 349.352 4.852 50 0 EJAARN CC(C)(C)[C@H](NC(=O)N1CCc2sccc2C1)c1cccs1 ZINC000080042511 564139075 /nfs/dbraw/zinc/13/90/75/564139075.db2.gz BYLJKPOUZVNXQM-OAHLLOKOSA-N 0 0 334.510 4.665 50 0 EJAARN CCOc1cc2c(cc1NC(=O)c1sccc1C(C)C)O[C@H](C)C2 ZINC000066287237 564139199 /nfs/dbraw/zinc/13/91/99/564139199.db2.gz FMCTUAYOMDMSJX-GFCCVEGCSA-N 0 0 345.464 4.846 50 0 EJAARN CC(C)n1nccc1C(=O)N(c1cccc2cccnc21)C1CCCC1 ZINC000095427923 564140233 /nfs/dbraw/zinc/14/02/33/564140233.db2.gz UMZZQMHYCQKCLF-UHFFFAOYSA-N 0 0 348.450 4.602 50 0 EJAARN Clc1ccc(Cl)c2nc(N3CCC(n4ccnc4)CC3)ccc12 ZINC000095460614 564140783 /nfs/dbraw/zinc/14/07/83/564140783.db2.gz IHFIZHNXZKEAMD-UHFFFAOYSA-N 0 0 347.249 4.580 50 0 EJAARN CCOC(=O)/C=C\c1ccc(-c2ccc(Br)cc2)cc1 ZINC000095921764 564141923 /nfs/dbraw/zinc/14/19/23/564141923.db2.gz IKSZMNAOKDIORP-XGICHPGQSA-N 0 0 331.209 4.692 50 0 EJAARN COc1ccc(-c2nc3n(n2)C2(CCCCC2)Nc2ccccc2-3)cc1 ZINC000095946475 564142211 /nfs/dbraw/zinc/14/22/11/564142211.db2.gz NSXNAGVYVANDCG-UHFFFAOYSA-N 0 0 346.434 4.663 50 0 EJAARN Cc1ccc(C(=O)N2N=C(c3ccco3)C[C@@H]2c2cccc(C)c2)cc1 ZINC000095946128 564142212 /nfs/dbraw/zinc/14/22/12/564142212.db2.gz CMYQDDVQFJQWJW-HXUWFJFHSA-N 0 0 344.414 4.888 50 0 EJAARN Cc1ccccc1C(=O)N1N=C(c2ccco2)C[C@H]1c1ccccc1 ZINC000095946354 564142239 /nfs/dbraw/zinc/14/22/39/564142239.db2.gz SGBBPKXARVFQRW-IBGZPJMESA-N 0 0 330.387 4.580 50 0 EJAARN COC(=O)N(C)c1ccc(N[C@@H](C)c2ccc(F)c(Cl)c2)cc1 ZINC000095958786 564142636 /nfs/dbraw/zinc/14/26/36/564142636.db2.gz NNKKPCZBVGFGOG-NSHDSACASA-N 0 0 336.794 4.855 50 0 EJAARN Cc1cc(NCc2nc3ccccc3n2C(C)C)n(-c2ccccc2)n1 ZINC000095960668 564142691 /nfs/dbraw/zinc/14/26/91/564142691.db2.gz ZHKTUPDETJDGKD-UHFFFAOYSA-N 0 0 345.450 4.723 50 0 EJAARN O=C(Nc1ccc2c(c1)C(=O)CCC2)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000095964145 564142867 /nfs/dbraw/zinc/14/28/67/564142867.db2.gz XLRWUYOBTCLLPE-OLZOCXBDSA-N 0 0 339.357 4.513 50 0 EJAARN CCCCCCN[C@H](C(=O)OCC)c1ccc(Cl)c(Cl)c1 ZINC000096026572 564144952 /nfs/dbraw/zinc/14/49/52/564144952.db2.gz MCGKNNCZLMWSRW-HNNXBMFYSA-N 0 0 332.271 4.768 50 0 EJAARN C[C@H]1CCC[C@H](C)N1CC(=O)OC(c1ccccc1)c1ccccc1 ZINC000096027615 564144986 /nfs/dbraw/zinc/14/49/86/564144986.db2.gz WGPIBJKFCPLPKD-ROUUACIJSA-N 0 0 337.463 4.582 50 0 EJAARN CN(C)N1C[C@](Cc2ccccc2)(c2ccccc2)c2ccccc21 ZINC000096027318 564145003 /nfs/dbraw/zinc/14/50/03/564145003.db2.gz QDWTUUZBMWKFAT-HSZRJFAPSA-N 0 0 328.459 4.512 50 0 EJAARN CC[C@@](CNC(=O)c1cccc2ccccc21)(OC)c1ccccc1 ZINC000096123704 564145673 /nfs/dbraw/zinc/14/56/73/564145673.db2.gz PZXUJHSIHPHZLF-QFIPXVFZSA-N 0 0 333.431 4.522 50 0 EJAARN CCOC(=O)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 ZINC000096124438 564145701 /nfs/dbraw/zinc/14/57/01/564145701.db2.gz RZTSWPYWLNAJSO-UHFFFAOYSA-N 0 0 340.408 4.517 50 0 EJAARN CCCC(=O)Nc1ccc(OC/C=C\c2ccccc2)c(C(C)=O)c1 ZINC000096129775 564145721 /nfs/dbraw/zinc/14/57/21/564145721.db2.gz HPQPJRVQOCCRNQ-XFFZJAGNSA-N 0 0 337.419 4.720 50 0 EJAARN Cc1cc(NC(=O)CCC2CCCCC2)cc2c1N(C)C(=O)C2(C)C ZINC000096182169 564145822 /nfs/dbraw/zinc/14/58/22/564145822.db2.gz DKFMRHHFOZBRIV-UHFFFAOYSA-N 0 0 342.483 4.548 50 0 EJAARN Cc1[nH]c2c(c1CCNC(=O)Nc1ccc(C)cc1)c(C)ccc2C ZINC000096182563 564145853 /nfs/dbraw/zinc/14/58/53/564145853.db2.gz LZDYHAJCIFGOMJ-UHFFFAOYSA-N 0 0 335.451 4.766 50 0 EJAARN COc1cccc(NC(=O)c2ccc(Oc3ccccc3Cl)o2)c1 ZINC000096183847 564145886 /nfs/dbraw/zinc/14/58/86/564145886.db2.gz NSSHFUNVCOSQBS-UHFFFAOYSA-N 0 0 343.766 4.986 50 0 EJAARN COC(=O)c1ccc(COc2ccc3occ(-c4ccco4)c3c2)o1 ZINC000096220910 564146029 /nfs/dbraw/zinc/14/60/29/564146029.db2.gz TVGYAJYXLXEZQP-UHFFFAOYSA-N 0 0 338.315 4.651 50 0 biogenic EJAARN CCC(CC)C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 ZINC000096407308 564147411 /nfs/dbraw/zinc/14/74/11/564147411.db2.gz NIUCRWCKHLPZQW-XMMPIXPASA-N 0 0 343.492 4.510 50 0 EJAARN O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)c1cccs1 ZINC000096408295 564147478 /nfs/dbraw/zinc/14/74/78/564147478.db2.gz ONAWQTPHQPMXLG-QHCPKHFHSA-N 0 0 347.505 4.582 50 0 EJAARN Cc1cccc([C@@H]2CC(c3ccco3)=NN2C(=O)c2ccccc2F)c1 ZINC000097165242 564149509 /nfs/dbraw/zinc/14/95/09/564149509.db2.gz DGCXXHLPKIRZDI-IBGZPJMESA-N 0 0 348.377 4.719 50 0 EJAARN Cc1occc1CN(C)C(=O)c1ccc(C2SCCCS2)cc1 ZINC000055462366 564150012 /nfs/dbraw/zinc/15/00/12/564150012.db2.gz RFOHCZRTEVSTHE-UHFFFAOYSA-N 0 0 347.505 4.729 50 0 EJAARN O=C(Nc1ccc(F)c(Cl)c1)c1ccc(Oc2nccs2)cc1 ZINC000225636388 564150078 /nfs/dbraw/zinc/15/00/78/564150078.db2.gz FEKBCSYVUIVQRW-UHFFFAOYSA-N 0 0 348.786 4.980 50 0 EJAARN CCC(CC)C(=O)N(Cc1ccc(F)cc1Cl)c1ccccn1 ZINC000028405068 564151064 /nfs/dbraw/zinc/15/10/64/564151064.db2.gz NHUYTUJTKSLCAL-UHFFFAOYSA-N 0 0 334.822 4.844 50 0 EJAARN O=C(C[C@@H](SCc1ccco1)c1cccnc1)c1cccs1 ZINC000002608250 564151117 /nfs/dbraw/zinc/15/11/17/564151117.db2.gz BYPMVTHMFQHSJY-QGZVFWFLSA-N 0 0 329.446 4.984 50 0 EJAARN Cc1nc2sc(-c3ccccc3)cc2c(NCc2cccnc2)n1 ZINC000002623193 564151260 /nfs/dbraw/zinc/15/12/60/564151260.db2.gz XNBSFOPGTNDOII-UHFFFAOYSA-N 0 0 332.432 4.674 50 0 EJAARN O=C(CCCSc1nc2ccccc2s1)Nc1ccccc1 ZINC000002629060 564151414 /nfs/dbraw/zinc/15/14/14/564151414.db2.gz JHMFFIBHXZDBAX-UHFFFAOYSA-N 0 0 328.462 4.807 50 0 EJAARN Cc1nc(-c2ccc(C)cc2)c(CC(=O)N2CCc3ccccc32)s1 ZINC000002633162 564151508 /nfs/dbraw/zinc/15/15/08/564151508.db2.gz FUPBHBDTCKTADZ-UHFFFAOYSA-N 0 0 348.471 4.559 50 0 EJAARN Cc1ccc(-c2cc(C(=O)N([C@@H](C)c3ccco3)C3CC3)on2)cc1 ZINC000056186149 564151560 /nfs/dbraw/zinc/15/15/60/564151560.db2.gz AJEWAKWMTYWJMM-AWEZNQCLSA-N 0 0 336.391 4.609 50 0 EJAARN Cc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1C ZINC000002643047 564151717 /nfs/dbraw/zinc/15/17/17/564151717.db2.gz IQNOYMCGOALXJV-UHFFFAOYSA-N 0 0 337.444 4.771 50 0 EJAARN CCCSc1nc2sc(C)c(C)c2c(=O)n1Cc1ccccc1 ZINC000002644886 564151752 /nfs/dbraw/zinc/15/17/52/564151752.db2.gz VKGJVUQTIOEJOM-UHFFFAOYSA-N 0 0 344.505 4.625 50 0 EJAARN Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000002644367 564151756 /nfs/dbraw/zinc/15/17/56/564151756.db2.gz FIKZLJUQMJMPND-UHFFFAOYSA-N 0 0 335.806 4.928 50 0 EJAARN Cc1c2ccc3ccccc3c2oc1C(=O)NCc1ccccc1F ZINC000002645267 564151808 /nfs/dbraw/zinc/15/18/08/564151808.db2.gz WSIGMLIICPPGNU-UHFFFAOYSA-N 0 0 333.362 4.964 50 0 EJAARN CCC(CC)c1nnc(NC(=O)c2cc(C)nc3ccccc32)s1 ZINC000002651532 564151894 /nfs/dbraw/zinc/15/18/94/564151894.db2.gz PPWZZRHCHLPICP-UHFFFAOYSA-N 0 0 340.452 4.551 50 0 EJAARN Cc1ccc(-c2csc(NC(=O)Cc3c[nH]c4ccccc34)n2)cc1 ZINC000002656655 564152013 /nfs/dbraw/zinc/15/20/13/564152013.db2.gz IGPMBWAWPWHHKU-UHFFFAOYSA-N 0 0 347.443 4.781 50 0 EJAARN CC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2Cc2ccccc2)c1C ZINC000002664268 564152088 /nfs/dbraw/zinc/15/20/88/564152088.db2.gz FBYCMJAFLQNDLD-UHFFFAOYSA-N 0 0 346.430 4.677 50 0 EJAARN CC(C)c1ccc(OCc2ccc(C(=O)NCc3ccco3)o2)cc1 ZINC000002750923 564152414 /nfs/dbraw/zinc/15/24/14/564152414.db2.gz VWUMUGWVMVXDQT-UHFFFAOYSA-N 0 0 339.391 4.505 50 0 EJAARN CCOc1ccccc1CNC(=O)c1sc2ccccc2c1Cl ZINC000002762326 564152516 /nfs/dbraw/zinc/15/25/16/564152516.db2.gz HLLHKNCUTIJCGJ-UHFFFAOYSA-N 0 0 345.851 4.883 50 0 EJAARN Cc1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 ZINC000002783389 564152634 /nfs/dbraw/zinc/15/26/34/564152634.db2.gz JIZFPFIDCXNZOD-VXGBXAGGSA-N 0 0 349.278 4.626 50 0 EJAARN Cc1cccc2sc(NC(=O)c3nc(Cl)ccc3Cl)nc21 ZINC000028909362 564152846 /nfs/dbraw/zinc/15/28/46/564152846.db2.gz NPPYIEAGURZUCH-UHFFFAOYSA-N 0 0 338.219 4.559 50 0 EJAARN O=C(Nc1cccc(Cl)c1)[C@H]1[C@H](c2ccccc2)C1(Cl)Cl ZINC000002907040 564152992 /nfs/dbraw/zinc/15/29/92/564152992.db2.gz YYQHBZPYYSOYHE-UONOGXRCSA-N 0 0 340.637 4.866 50 0 EJAARN c1csc([C@@H]2CC(c3cccnc3)=Nc3nc4ccccc4n32)c1 ZINC000002914648 564153036 /nfs/dbraw/zinc/15/30/36/564153036.db2.gz URVBPCZBTJGAKH-KRWDZBQOSA-N 0 0 330.416 4.549 50 0 EJAARN COc1ccc(C)cc1Nc1nc(C)nc2sc3c(c21)CCCC3 ZINC000002921775 564153088 /nfs/dbraw/zinc/15/30/88/564153088.db2.gz BUXTWMCWYMDCNR-UHFFFAOYSA-N 0 0 339.464 4.939 50 0 EJAARN CCCCOc1ccc(/C=C2/N=C(/C=C/c3ccccc3)OC2=O)cc1 ZINC000002930558 564153095 /nfs/dbraw/zinc/15/30/95/564153095.db2.gz FQGGALCLDIVFGO-LNNYTJQRSA-N 0 0 347.414 4.875 50 0 EJAARN Cc1cc([C@@H]2CCCN2C(=O)c2cc3c(s2)CCCCCC3)no1 ZINC000029242103 564153237 /nfs/dbraw/zinc/15/32/37/564153237.db2.gz BNMMGPNOGGNUHH-INIZCTEOSA-N 0 0 344.480 4.681 50 0 EJAARN CCN(CC)c1ccc(NC(=O)Nc2ccc(OC)cc2C)c(C)c1 ZINC000057405867 564153984 /nfs/dbraw/zinc/15/39/84/564153984.db2.gz QDJHLDUYSBGGEW-UHFFFAOYSA-N 0 0 341.455 4.802 50 0 EJAARN CCCOc1ccc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1 ZINC000057416182 564154210 /nfs/dbraw/zinc/15/42/10/564154210.db2.gz RKPWGXRRIUQMNZ-UHFFFAOYSA-N 0 0 342.826 4.540 50 0 EJAARN O=C(NCc1cccc(C(F)(F)F)c1)c1cc2c(s1)CCCC2 ZINC000057416278 564154226 /nfs/dbraw/zinc/15/42/26/564154226.db2.gz UJECLAPKXAUEEZ-UHFFFAOYSA-N 0 0 339.382 4.576 50 0 EJAARN C[C@@H](Nc1ccc(NC(=O)c2ccncc2F)cc1)c1ccccc1 ZINC000132469188 564154253 /nfs/dbraw/zinc/15/42/53/564154253.db2.gz WJILTJNIBVGXQW-CQSZACIVSA-N 0 0 335.382 4.646 50 0 EJAARN C[C@H]1CCCC[C@@H]1NC(=O)CCSCc1ccccc1Cl ZINC000003031996 564154528 /nfs/dbraw/zinc/15/45/28/564154528.db2.gz ZIDJGIVMFSJGFT-BBRMVZONSA-N 0 0 325.905 4.658 50 0 EJAARN CSc1ccc(-c2noc(-c3cc(-c4ccccc4C)[nH]n3)n2)cc1 ZINC000057510998 564154646 /nfs/dbraw/zinc/15/46/46/564154646.db2.gz IDFSCTKVPYYPIJ-UHFFFAOYSA-N 0 0 348.431 4.824 50 0 EJAARN CCOC(=O)N[C@H]1Cc2ccccc2[C@@H]1Sc1ccc(Cl)cc1 ZINC000003047689 564154677 /nfs/dbraw/zinc/15/46/77/564154677.db2.gz NVJOKZZYFMPHNR-IRXDYDNUSA-N 0 0 347.867 4.844 50 0 EJAARN O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1ccc(F)c(F)c1 ZINC000057663073 564155384 /nfs/dbraw/zinc/15/53/84/564155384.db2.gz UWOKUYXFDUZMNS-UHFFFAOYSA-N 0 0 349.340 4.556 50 0 EJAARN O=C1N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)C1(F)F ZINC000003179871 564155716 /nfs/dbraw/zinc/15/57/16/564155716.db2.gz ANVZUBJKXRJHBJ-ZDUSSCGKSA-N 0 0 345.242 4.568 50 0 EJAARN COc1cc2ccccc2cc1C(=O)OCc1nc2ccccc2s1 ZINC000003199252 564155875 /nfs/dbraw/zinc/15/58/75/564155875.db2.gz AIOYGYVETAYAAZ-UHFFFAOYSA-N 0 0 349.411 4.815 50 0 EJAARN O=C(OC[C@@H]1CC1(Cl)Cl)c1sc2ccccc2c1Cl ZINC000003214930 564156037 /nfs/dbraw/zinc/15/60/37/564156037.db2.gz IEJJVKUYIMEVCY-ZETCQYMHSA-N 0 0 335.639 4.905 50 0 EJAARN CC(=O)c1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2)cc1 ZINC000003213681 564156045 /nfs/dbraw/zinc/15/60/45/564156045.db2.gz UJEIYHAFELPQLY-UHFFFAOYSA-N 0 0 345.398 4.574 50 0 EJAARN Cc1cccc(Nc2nnc(SCC(=O)c3ccccc3)s2)c1 ZINC000003220952 564156189 /nfs/dbraw/zinc/15/61/89/564156189.db2.gz NKRPDDSTEOXXLZ-UHFFFAOYSA-N 0 0 341.461 4.565 50 0 EJAARN CCOc1ccc2c(=O)c(-c3c(F)cccc3Cl)c(C)oc2c1 ZINC000003221560 564156218 /nfs/dbraw/zinc/15/62/18/564156218.db2.gz CEUDYAYSGSWSIN-UHFFFAOYSA-N 0 0 332.758 4.960 50 0 EJAARN CCN(CC)c1ccc(NC(=O)c2cc3c(s2)CCCC3)cc1 ZINC000003226019 564156241 /nfs/dbraw/zinc/15/62/41/564156241.db2.gz WPGCQOZLFKMPJJ-UHFFFAOYSA-N 0 0 328.481 4.725 50 0 EJAARN O=C(CSc1ccccc1)Nc1ccc(OCc2ccccc2)cc1 ZINC000003230205 564156295 /nfs/dbraw/zinc/15/62/95/564156295.db2.gz YXIZXOMZAYSRAF-UHFFFAOYSA-N 0 0 349.455 4.996 50 0 EJAARN CCCCNC(=S)Nc1cc2oc3ccccc3c2cc1OC ZINC000003231630 564156335 /nfs/dbraw/zinc/15/63/35/564156335.db2.gz XKUOHVYRYABMBC-UHFFFAOYSA-N 0 0 328.437 4.681 50 0 EJAARN O=C(NC(c1ccccc1)c1ccccc1)c1cc2c(s1)CCC2 ZINC000003230858 564156346 /nfs/dbraw/zinc/15/63/46/564156346.db2.gz FWXOKWZGUXSVQB-UHFFFAOYSA-N 0 0 333.456 4.756 50 0 EJAARN Cc1nn(C(=O)CCc2ccccc2)c(C)c1Sc1ccccc1 ZINC000003236379 564156425 /nfs/dbraw/zinc/15/64/25/564156425.db2.gz IVCXXHLOSZCKOF-UHFFFAOYSA-N 0 0 336.460 4.924 50 0 EJAARN O=C(Nc1cccc2ccccc21)N(C1=NCCS1)c1ccccc1 ZINC000003251947 564156579 /nfs/dbraw/zinc/15/65/79/564156579.db2.gz ALUNRXRZFBOJRJ-UHFFFAOYSA-N 0 0 347.443 4.981 50 0 EJAARN FC(F)Oc1ccc(NC(=S)Nc2cccc3c2CCCC3)cc1 ZINC000003258880 564156703 /nfs/dbraw/zinc/15/67/03/564156703.db2.gz YGPMAUBGLSOQTA-UHFFFAOYSA-N 0 0 348.418 4.976 50 0 EJAARN COc1ccc(-c2csc(NC(=O)c3ccc(C)cc3)n2)cc1C ZINC000003260338 564156724 /nfs/dbraw/zinc/15/67/24/564156724.db2.gz FJXUUMKWBRJLJZ-UHFFFAOYSA-N 0 0 338.432 4.688 50 0 EJAARN CCOc1ccccc1C(=O)OCc1c(Cl)cccc1Cl ZINC000003262235 564156726 /nfs/dbraw/zinc/15/67/26/564156726.db2.gz DCDGGCGHCQEIBI-UHFFFAOYSA-N 0 0 325.191 4.749 50 0 EJAARN CC(C)(C)C(=O)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000003275791 564156880 /nfs/dbraw/zinc/15/68/80/564156880.db2.gz NZTIEJRZFGVBDG-UHFFFAOYSA-N 0 0 339.258 4.557 50 0 EJAARN CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CC ZINC000003273212 564156848 /nfs/dbraw/zinc/15/68/48/564156848.db2.gz UHILERJLXIGJKE-UHFFFAOYSA-N 0 0 337.828 4.594 50 0 EJAARN Cc1sc2c(c1C)c(=O)n(-c1ccccc1)c(=S)n2C(F)F ZINC000003277591 564156858 /nfs/dbraw/zinc/15/68/58/564156858.db2.gz NCBWLAXTDHAUAX-UHFFFAOYSA-N 0 0 338.404 4.595 50 0 EJAARN CCOC(=O)c1sc(NC(=S)Nc2cccc(C)c2C)cc1C ZINC000003286864 564156978 /nfs/dbraw/zinc/15/69/78/564156978.db2.gz BMYFPOCFDMOQMU-UHFFFAOYSA-N 0 0 348.493 4.659 50 0 EJAARN CN(C)c1cccc(C(=O)Oc2ccc(Cl)c3ccccc23)c1 ZINC000003284143 564156986 /nfs/dbraw/zinc/15/69/86/564156986.db2.gz ITSAYZMTMZPLAJ-UHFFFAOYSA-N 0 0 325.795 4.778 50 0 EJAARN CCSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 ZINC000003291859 564157081 /nfs/dbraw/zinc/15/70/81/564157081.db2.gz CSZNKQCGNJHSPS-UHFFFAOYSA-N 0 0 329.856 4.759 50 0 EJAARN CCCn1ccc2cc(NC(=O)Nc3ccc(F)cc3F)ccc21 ZINC000058054308 564157370 /nfs/dbraw/zinc/15/73/70/564157370.db2.gz TUSDEDBNGYYELP-UHFFFAOYSA-N 0 0 329.350 4.974 50 0 EJAARN COc1ccc(N2C(=O)c3ccccc3NC23CCC(C)CC3)cc1 ZINC000003353156 564157642 /nfs/dbraw/zinc/15/76/42/564157642.db2.gz YIETZYGNOJOFLP-UHFFFAOYSA-N 0 0 336.435 4.674 50 0 EJAARN Cc1cnc(NC(=O)CCCOc2ccc(Cl)cc2Cl)s1 ZINC000003355518 564157645 /nfs/dbraw/zinc/15/76/45/564157645.db2.gz IQUTZUCOXNCOAH-UHFFFAOYSA-N 0 0 345.251 4.556 50 0 EJAARN Fc1ccccc1CSCc1nc(-c2ccccc2Cl)no1 ZINC000058158007 564157845 /nfs/dbraw/zinc/15/78/45/564157845.db2.gz OACLONFPDMFXRN-UHFFFAOYSA-N 0 0 334.803 4.963 50 0 EJAARN O=C(COc1ccc2c(c1)CCC2)Nc1ccccc1-c1ccccc1 ZINC000003403718 564158009 /nfs/dbraw/zinc/15/80/09/564158009.db2.gz KENKJZWUIDGOOO-UHFFFAOYSA-N 0 0 343.426 4.860 50 0 EJAARN CCOc1ccc(NC(=O)CSc2ccccc2C)cc1OCC ZINC000003417935 564158016 /nfs/dbraw/zinc/15/80/16/564158016.db2.gz VOJIKGJFAGMTFP-UHFFFAOYSA-N 0 0 345.464 4.523 50 0 EJAARN Cc1cc(C)c(NC(=O)COc2ccc(F)c(Cl)c2)c(Cl)c1 ZINC000003415765 564158021 /nfs/dbraw/zinc/15/80/21/564158021.db2.gz YVJUNFNPLZRVGS-UHFFFAOYSA-N 0 0 342.197 4.767 50 0 EJAARN CC(=O)Nc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1 ZINC000003427021 564158088 /nfs/dbraw/zinc/15/80/88/564158088.db2.gz KFQMTLZUIHLXPE-UHFFFAOYSA-N 0 0 345.402 4.641 50 0 EJAARN Cc1c2ccccc2oc1C(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000003435953 564158149 /nfs/dbraw/zinc/15/81/49/564158149.db2.gz MQTURFYFVMOLBA-UHFFFAOYSA-N 0 0 347.336 4.733 50 0 EJAARN CCOc1ccc2nc(NC(=O)CCC3CCCCC3)sc2c1 ZINC000003455008 564158247 /nfs/dbraw/zinc/15/82/47/564158247.db2.gz CAGGFYDYHCBLCL-UHFFFAOYSA-N 0 0 332.469 4.994 50 0 EJAARN O=C(O[C@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1)c1ccco1 ZINC000003537690 564158834 /nfs/dbraw/zinc/15/88/34/564158834.db2.gz YMSAJWLNSIOSDG-FQEVSTJZSA-N 0 0 345.354 4.542 50 0 EJAARN O=C(COC(=O)c1ccc(Cl)c(Cl)c1)c1c[nH]c2ccccc21 ZINC000003571327 564159039 /nfs/dbraw/zinc/15/90/39/564159039.db2.gz DQBKEPYYZQVUGH-UHFFFAOYSA-N 0 0 348.185 4.514 50 0 EJAARN Cc1cc(C)c(NC(=S)N(CCc2ccncc2)C(C)C)c(C)c1 ZINC000003588327 564159065 /nfs/dbraw/zinc/15/90/65/564159065.db2.gz CXGMSJHKJASDOB-UHFFFAOYSA-N 0 0 341.524 4.657 50 0 EJAARN O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)C1CCC1 ZINC000031182664 564159089 /nfs/dbraw/zinc/15/90/89/564159089.db2.gz HSDJFTQNSJOBJK-UHFFFAOYSA-N 0 0 326.343 4.568 50 0 EJAARN Cc1ccc(-c2nc(C)c(C(=O)N[C@@H](C)c3cccs3)s2)o1 ZINC000031203305 564159153 /nfs/dbraw/zinc/15/91/53/564159153.db2.gz HUXYMBHANLSBKS-JTQLQIEISA-N 0 0 332.450 4.572 50 0 EJAARN Cc1ccccc1NC(=O)c1ccc(N2CCc3ccccc3C2)cc1 ZINC000058440076 564159156 /nfs/dbraw/zinc/15/91/56/564159156.db2.gz YIVOFTYHMYZOBC-UHFFFAOYSA-N 0 0 342.442 4.810 50 0 EJAARN Cc1ccc(-c2nc(C(=O)Nc3nc(C(C)C)cs3)cs2)o1 ZINC000031228263 564159163 /nfs/dbraw/zinc/15/91/63/564159163.db2.gz TVKWZVMTADOMOJ-UHFFFAOYSA-N 0 0 333.438 4.544 50 0 EJAARN O=C(CCSCc1csc(-c2ccco2)n1)Nc1ccccc1 ZINC000031421266 564159405 /nfs/dbraw/zinc/15/94/05/564159405.db2.gz UVQNVRYBLBNPLM-UHFFFAOYSA-N 0 0 344.461 4.665 50 0 EJAARN COc1ccc(NC(=O)C[C@H](C(C)C)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000004064569 564160279 /nfs/dbraw/zinc/16/02/79/564160279.db2.gz HKQAZWUSSIHYBS-CRAIPNDOSA-N 0 0 333.472 4.501 50 0 biogenic EJAARN Cc1nc(NC(=O)c2c(F)cccc2F)sc1-c1ccccc1 ZINC000031968367 564160325 /nfs/dbraw/zinc/16/03/25/564160325.db2.gz MMEXYMUAZUWLIG-UHFFFAOYSA-N 0 0 330.359 4.649 50 0 EJAARN CC(=O)[C@H]1[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004073873 564160375 /nfs/dbraw/zinc/16/03/75/564160375.db2.gz XXSFRYVGIQYVIQ-HLLDMODTSA-N 0 0 330.512 4.761 50 0 biogenic EJAARN CC[C@](C)(CCN(C(C)=O)[C@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000032069935 564160591 /nfs/dbraw/zinc/16/05/91/564160591.db2.gz ZSQRPKOQHBLCNT-PZJWPPBQSA-N 0 0 331.500 4.551 50 0 EJAARN Cc1[nH]c2ccccc2c1[C@H](Nc1cccc(C)n1)c1ccccn1 ZINC000004148690 564160927 /nfs/dbraw/zinc/16/09/27/564160927.db2.gz YSMGXGMEJVBETQ-OAQYLSRUSA-N 0 0 328.419 4.776 50 0 EJAARN CCC(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000004195761 564161093 /nfs/dbraw/zinc/16/10/93/564161093.db2.gz XMGZONDKIJGESA-UHFFFAOYSA-N 0 0 337.206 4.594 50 0 EJAARN O=C(Cc1cccs1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000032524559 564161653 /nfs/dbraw/zinc/16/16/53/564161653.db2.gz CPWRBUSIQORMRB-UHFFFAOYSA-N 0 0 331.824 4.520 50 0 EJAARN OCc1cccc(Nc2ncnc3sc(-c4ccccc4)cc32)c1 ZINC000007981429 564161744 /nfs/dbraw/zinc/16/17/44/564161744.db2.gz PLMMSLGEDOOGEC-UHFFFAOYSA-N 0 0 333.416 4.594 50 0 EJAARN CCCCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1OCC ZINC000007986875 564161883 /nfs/dbraw/zinc/16/18/83/564161883.db2.gz UNDBIKGWCQBSGN-UHFFFAOYSA-N 0 0 343.423 4.525 50 0 EJAARN CSc1ncccc1C(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000007987552 564161889 /nfs/dbraw/zinc/16/18/89/564161889.db2.gz PFJFZSHWNBDOBF-LJQANCHMSA-N 0 0 348.471 4.517 50 0 EJAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1cccc2cccnc21 ZINC000007989111 564161937 /nfs/dbraw/zinc/16/19/37/564161937.db2.gz BOEFFKCXGPXWSY-UHFFFAOYSA-N 0 0 334.419 4.793 50 0 EJAARN Cc1cc(C(=O)N(C)Cc2c(F)cccc2Cl)c2ccccc2n1 ZINC000007990009 564161997 /nfs/dbraw/zinc/16/19/97/564161997.db2.gz GRXGCDVORZGUKY-UHFFFAOYSA-N 0 0 342.801 4.608 50 0 EJAARN Cc1cccn2cc(CNc3ccc(Cl)c(C(F)(F)F)c3)nc12 ZINC000007990780 564162009 /nfs/dbraw/zinc/16/20/09/564162009.db2.gz NVBGERMFFWRZCD-UHFFFAOYSA-N 0 0 339.748 4.927 50 0 EJAARN O=C(Cc1csc(-c2ccsc2)n1)Nc1ccc(Cl)cc1 ZINC000008007610 564162090 /nfs/dbraw/zinc/16/20/90/564162090.db2.gz FXZKIPXDVRLKIC-UHFFFAOYSA-N 0 0 334.853 4.706 50 0 EJAARN CN(C(=O)c1cccc(C(F)(F)F)c1)[C@@H]1CCCc2ccccc21 ZINC000008039711 564162369 /nfs/dbraw/zinc/16/23/69/564162369.db2.gz NYHZDENUODFVKL-QGZVFWFLSA-N 0 0 333.353 4.855 50 0 EJAARN O=C(NCCc1c[nH]c2ccccc12)c1ccc(-c2ccc(F)cc2)o1 ZINC000008071229 564162494 /nfs/dbraw/zinc/16/24/94/564162494.db2.gz GOCZGKCAQSHOJK-UHFFFAOYSA-N 0 0 348.377 4.540 50 0 EJAARN COc1cccc(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)c1 ZINC000008115149 564162780 /nfs/dbraw/zinc/16/27/80/564162780.db2.gz QCQOGHWFTAPIHR-FQEVSTJZSA-N 0 0 349.455 4.545 50 0 EJAARN Cc1cc(-n2c(C)cc(-c3csc(-c4cccnc4)n3)c2C)no1 ZINC000008132022 564163021 /nfs/dbraw/zinc/16/30/21/564163021.db2.gz IMCODQJHSKJFTR-UHFFFAOYSA-N 0 0 336.420 4.576 50 0 EJAARN Cc1noc(C(C)C)c1C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000008146624 564163168 /nfs/dbraw/zinc/16/31/68/564163168.db2.gz BCYNBTJCLHRLQB-UHFFFAOYSA-N 0 0 341.455 4.739 50 0 EJAARN Cc1cc(OCC(=O)N[C@@H](C)c2cc3ccccc3o2)ccc1Cl ZINC000008154316 564163200 /nfs/dbraw/zinc/16/32/00/564163200.db2.gz UJYVHUPEMXOEFN-ZDUSSCGKSA-N 0 0 343.810 4.651 50 0 EJAARN CCc1cccc2c(C(=O)CSc3ncnc4ccccc43)c[nH]c21 ZINC000008189248 564163445 /nfs/dbraw/zinc/16/34/45/564163445.db2.gz HJNMDVJUHHLERD-UHFFFAOYSA-N 0 0 347.443 4.649 50 0 EJAARN Cc1ccc(Cl)c(OCC(=O)N[C@H](C)c2cc3ccccc3o2)c1 ZINC000008238695 564163765 /nfs/dbraw/zinc/16/37/65/564163765.db2.gz AIKGCSYKGZVRAY-CYBMUJFWSA-N 0 0 343.810 4.651 50 0 EJAARN Cc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)c2ccccc2n1 ZINC000008289681 564164054 /nfs/dbraw/zinc/16/40/54/564164054.db2.gz OIXXUVUJQJPBOG-UHFFFAOYSA-N 0 0 344.458 4.638 50 0 EJAARN C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000263571877 564164338 /nfs/dbraw/zinc/16/43/38/564164338.db2.gz KAPAFTKZXYALRS-KGLIPLIRSA-N 0 0 331.843 4.662 50 0 EJAARN O=C(c1ccccc1F)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000008326330 564164439 /nfs/dbraw/zinc/16/44/39/564164439.db2.gz QRVGMQMCQDCBBP-IBGZPJMESA-N 0 0 337.419 4.675 50 0 EJAARN COC(=O)c1cc(-c2ccc(Cl)s2)nc2onc(C(C)C)c21 ZINC000008337888 564164536 /nfs/dbraw/zinc/16/45/36/564164536.db2.gz WEUKEJFEINSABX-UHFFFAOYSA-N 0 0 336.800 4.515 50 0 EJAARN Cc1cc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)on1 ZINC000008331921 564164552 /nfs/dbraw/zinc/16/45/52/564164552.db2.gz DWXUVURFAIAKGF-UHFFFAOYSA-N 0 0 335.388 4.512 50 0 EJAARN Cc1sc2[nH]c(CSCc3cc(C)cc(C)c3)nc(=O)c2c1C ZINC000008344096 564164631 /nfs/dbraw/zinc/16/46/31/564164631.db2.gz TXGVIJDNDUYAIK-UHFFFAOYSA-N 0 0 344.505 4.652 50 0 EJAARN Cc1cc2nc(N[C@H](C)CCc3ccccc3)c3ccccc3n2n1 ZINC000008345117 564164650 /nfs/dbraw/zinc/16/46/50/564164650.db2.gz OZWDTULQPONKOT-OAHLLOKOSA-N 0 0 330.435 4.624 50 0 EJAARN c1ccc(C2=CCN(c3ncnc4c5ccccc5oc43)CC2)cc1 ZINC000008392394 564165019 /nfs/dbraw/zinc/16/50/19/564165019.db2.gz VERJTFDLLAPKOK-UHFFFAOYSA-N 0 0 327.387 4.670 50 0 EJAARN O=C(Oc1ccc2ccc(=O)oc2c1)c1ccccc1-c1ccccc1 ZINC000008519031 564165582 /nfs/dbraw/zinc/16/55/82/564165582.db2.gz AHFRWNNKYSGLFS-UHFFFAOYSA-N 0 0 342.350 4.679 50 0 EJAARN O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)N1CCCC1 ZINC000008518838 564165587 /nfs/dbraw/zinc/16/55/87/564165587.db2.gz PZOQPILRTHLFLZ-UHFFFAOYSA-N 0 0 346.430 4.564 50 0 EJAARN Cc1ccc(C)c(NC(=O)[C@@H](C)N(C)Cc2c(F)cccc2Cl)c1 ZINC000008533952 564165638 /nfs/dbraw/zinc/16/56/38/564165638.db2.gz SZVKIWLFHAZSQI-CQSZACIVSA-N 0 0 348.849 4.555 50 0 EJAARN CCOC(=O)c1c(C)[nH]c(-c2ccccc2)c1CC(=O)c1ccccc1 ZINC000067340082 564165710 /nfs/dbraw/zinc/16/57/10/564165710.db2.gz SZEISBBNJDUTMR-UHFFFAOYSA-N 0 0 347.414 4.592 50 0 EJAARN Cc1ccccc1C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 ZINC000008586762 564165872 /nfs/dbraw/zinc/16/58/72/564165872.db2.gz VRBKAVPBWIPIHK-CYBMUJFWSA-N 0 0 328.481 4.855 50 0 EJAARN CCn1c2ccc3ccccc3c2s/c1=N/C(=O)c1ccccc1 ZINC000008654199 564166235 /nfs/dbraw/zinc/16/62/35/564166235.db2.gz RGOJBUSPKIUUPK-QZQOTICOSA-N 0 0 332.428 4.617 50 0 EJAARN Cc1cc(CSc2nnc(-c3ccco3)n2C2CCCCC2)no1 ZINC000008704188 564166414 /nfs/dbraw/zinc/16/64/14/564166414.db2.gz ZGPXMDBRHSCBRA-UHFFFAOYSA-N 0 0 344.440 4.632 50 0 EJAARN CC[C@@H](O)c1nc2ccccc2n1CCCOc1ccc(Cl)cc1 ZINC000008710296 564166627 /nfs/dbraw/zinc/16/66/27/564166627.db2.gz UCVZFDNYNKJDMD-GOSISDBHSA-N 0 0 344.842 4.602 50 0 EJAARN Cc1ccc(C)c(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c1 ZINC000008747680 564167220 /nfs/dbraw/zinc/16/72/20/564167220.db2.gz VSNJBVXIEKWGPV-UHFFFAOYSA-N 0 0 338.382 4.669 50 0 EJAARN Cc1ccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)cc1C ZINC000008755562 564167342 /nfs/dbraw/zinc/16/73/42/564167342.db2.gz XGOUXLMPJMGNIO-UHFFFAOYSA-N 0 0 338.382 4.669 50 0 EJAARN O=C(Nc1nnc(-c2ccccc2)s1)Nc1cccc(Cl)c1 ZINC000008767821 564167351 /nfs/dbraw/zinc/16/73/51/564167351.db2.gz ZDSMQGVCOPYPQB-UHFFFAOYSA-N 0 0 330.800 4.503 50 0 EJAARN COc1ccc2occ(CC(=O)Nc3cccc(C(F)(F)F)c3)c2c1 ZINC000039882414 564167652 /nfs/dbraw/zinc/16/76/52/564167652.db2.gz DVUBFVMTCCGNIX-UHFFFAOYSA-N 0 0 349.308 4.641 50 0 EJAARN COc1ccc(NC(=O)N(C)[C@H](C)c2ccc(F)cc2)cc1Cl ZINC000040098696 564168003 /nfs/dbraw/zinc/16/80/03/564168003.db2.gz LDKHPYXBNGEPAA-LLVKDONJSA-N 0 0 336.794 4.713 50 0 EJAARN Cc1cnc(NC(=O)c2ccccc2SCc2ccco2)s1 ZINC000008942585 564168119 /nfs/dbraw/zinc/16/81/19/564168119.db2.gz JTHHDVUVAWSJMR-UHFFFAOYSA-N 0 0 330.434 4.589 50 0 EJAARN C[C@@H](Cc1cc2ccccc2o1)NC(=O)CCc1cccc(Cl)c1 ZINC000245015244 564168603 /nfs/dbraw/zinc/16/86/03/564168603.db2.gz LSWCOBRJCDIWAM-AWEZNQCLSA-N 0 0 341.838 4.766 50 0 EJAARN C[C@@H](Cc1cc2ccccc2o1)NC(=O)NCc1ccc(Cl)cc1 ZINC000244986224 564168604 /nfs/dbraw/zinc/16/86/04/564168604.db2.gz JLGNAPSBQWLXGJ-ZDUSSCGKSA-N 0 0 342.826 4.517 50 0 EJAARN O=C(Nc1nc(C2CC2)cs1)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000069455272 564169644 /nfs/dbraw/zinc/16/96/44/564169644.db2.gz PUZHKVUDDWWPLA-UHFFFAOYSA-N 0 0 349.868 4.983 50 0 EJAARN O=[S@@](Cc1coc(-c2cccs2)n1)Cc1ccccc1Cl ZINC000069485592 564169804 /nfs/dbraw/zinc/16/98/04/564169804.db2.gz SRUZZVUZSVIRIL-NRFANRHFSA-N 0 0 337.853 4.505 50 0 EJAARN Cc1cccc(C)c1NC(=O)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000069492754 564169962 /nfs/dbraw/zinc/16/99/62/564169962.db2.gz RCXFORZGERXGSW-QGZVFWFLSA-N 0 0 344.842 4.562 50 0 EJAARN C[C@@H](N[C@@H](C)c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 ZINC000069514817 564170015 /nfs/dbraw/zinc/17/00/15/564170015.db2.gz VSAZFLLOXDCXET-QWHCGFSZSA-N 0 0 327.815 4.802 50 0 EJAARN O=C(Nc1nnc(C2CCCCC2)s1)c1ccc2ccccc2c1 ZINC000009138200 564170439 /nfs/dbraw/zinc/17/04/39/564170439.db2.gz OJDJRGDNRCFOPJ-UHFFFAOYSA-N 0 0 337.448 4.991 50 0 EJAARN Cc1c2c(cc3c4c(c(=O)oc13)CCC4)C=C[C@]1(CCC[C@H](C)C1)O2 ZINC000009340856 564172823 /nfs/dbraw/zinc/17/28/23/564172823.db2.gz YBQWDODECSFRAJ-XMHCIUCPSA-N 0 0 336.431 4.945 50 0 EJAARN Cc1cc(C)c(S(=O)(=O)Oc2cc(C)c(Cl)c(C)c2)cc1C ZINC000041097129 564173158 /nfs/dbraw/zinc/17/31/58/564173158.db2.gz SBXYDQVGVSSWOZ-UHFFFAOYSA-N 0 0 338.856 4.650 50 0 EJAARN Clc1ccc(C2=N[C@H]3N=C(c4ccccc4)S[C@@H]3S2)cc1 ZINC000041097531 564173202 /nfs/dbraw/zinc/17/32/02/564173202.db2.gz APJAYBKWRXQIPW-CZUORRHYSA-N 0 0 330.865 4.679 50 0 EJAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c4ncccc34)no2)cc1 ZINC000041157073 564173622 /nfs/dbraw/zinc/17/36/22/564173622.db2.gz SFNULPRREYBKAW-UHFFFAOYSA-N 0 0 343.386 4.759 50 0 EJAARN CC(=O)CCSc1nnc(-c2ccc(F)cc2)c2ccccc21 ZINC000009432095 564173702 /nfs/dbraw/zinc/17/37/02/564173702.db2.gz XXYCZPIWTWLFQN-UHFFFAOYSA-N 0 0 326.396 4.507 50 0 EJAARN Cc1cc2nc(NC(=O)Nc3c(F)cccc3F)sc2c(C)c1 ZINC000070655601 564174270 /nfs/dbraw/zinc/17/42/70/564174270.db2.gz CNHQFMMDRKCDHZ-UHFFFAOYSA-N 0 0 333.363 4.835 50 0 EJAARN CC(C)n1ccc2c1cccc2NC(=O)c1cn(C)c2ccccc12 ZINC000070666469 564174289 /nfs/dbraw/zinc/17/42/89/564174289.db2.gz JYMFNQWQIPMTQF-UHFFFAOYSA-N 0 0 331.419 4.966 50 0 biogenic EJAARN O=C(Nc1noc2ccccc21)C(c1ccccc1)c1ccccc1 ZINC000009667579 564174386 /nfs/dbraw/zinc/17/43/86/564174386.db2.gz YUACEERRFUSYQO-UHFFFAOYSA-N 0 0 328.371 4.598 50 0 EJAARN CC(C)COc1cccc([C@H]2CC(=O)Nc3c2cnn3C(C)C)c1 ZINC000071280270 564174847 /nfs/dbraw/zinc/17/48/47/564174847.db2.gz AXKSZEBDCJKHLS-MRXNPFEDSA-N 0 0 327.428 4.622 50 0 EJAARN Cc1nc(NC2CCCCC2)sc1C(=O)NC1CCC(C)CC1 ZINC000071326677 564174943 /nfs/dbraw/zinc/17/49/43/564174943.db2.gz BLYASFBVUUCUER-UHFFFAOYSA-N 0 0 335.517 4.505 50 0 EJAARN O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCCC[C@H]1c1nccs1 ZINC000246775002 564175775 /nfs/dbraw/zinc/17/57/75/564175775.db2.gz LJDINNTZVDFUQD-XHSDSOJGSA-N 0 0 346.883 4.654 50 0 EJAARN COCc1cccc(NC(=O)N2CCCCC[C@H]2c2ccco2)c1 ZINC000077264461 564176677 /nfs/dbraw/zinc/17/66/77/564176677.db2.gz OTOFYFFHJWPXQQ-KRWDZBQOSA-N 0 0 328.412 4.575 50 0 EJAARN C[C@H](c1ccc(F)c(F)c1)S(=O)(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC000077647159 564176803 /nfs/dbraw/zinc/17/68/03/564176803.db2.gz IQUCZNQNJVLTMM-WDEREUQCSA-N 0 0 344.810 4.855 50 0 EJAARN O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1ccccc1-c1cccs1 ZINC000078276244 564176939 /nfs/dbraw/zinc/17/69/39/564176939.db2.gz RHWUKUXEMCRWRZ-KRWDZBQOSA-N 0 0 349.411 4.655 50 0 EJAARN COc1ccc(-c2nc3ncccn3c2Nc2cc(C)cc(C)c2)cc1 ZINC000004735178 210264827 /nfs/dbraw/zinc/26/48/27/210264827.db2.gz VKAQOTHCRLVXGU-UHFFFAOYSA-N 0 0 344.418 4.765 50 0 EJAARN COc1ccc(C)cc1NC(=O)CCCc1nc2ccccc2s1 ZINC000006788614 201697600 /nfs/dbraw/zinc/69/76/00/201697600.db2.gz YWFXQFFDOADOHB-UHFFFAOYSA-N 0 0 340.448 4.575 50 0 EJAARN Cc1cc(C)cc(NC(=O)c2nn(C)c3c2CSc2ccccc2-3)c1 ZINC000006817733 201699837 /nfs/dbraw/zinc/69/98/37/201699837.db2.gz CVWRQHCYESJRMA-UHFFFAOYSA-N 0 0 349.459 4.562 50 0 EJAARN Cc1[nH]c(-c2ccc(F)cc2)cc1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000006818476 201699883 /nfs/dbraw/zinc/69/98/83/201699883.db2.gz KJVUQHQCEMQVQE-ZJNRKIDTSA-N 0 0 328.431 4.684 50 0 EJAARN C[C@H]1Cc2ccccc2N1C(=O)CCSc1ccc(Cl)cc1 ZINC000004731667 210262282 /nfs/dbraw/zinc/26/22/82/210262282.db2.gz OCVUUDDPQJUJLD-ZDUSSCGKSA-N 0 0 331.868 4.800 50 0 EJAARN COc1ccc(Oc2cc(CNc3nc4ccccc4o3)ccn2)cc1 ZINC000052427268 214128648 /nfs/dbraw/zinc/12/86/48/214128648.db2.gz UKIUXYFLHSXNHT-UHFFFAOYSA-N 0 0 347.374 4.636 50 0 EJAARN C/C=C/C=C\C(=O)O[C@H](C(=O)Nc1cc(C)cc(C)c1)c1ccccc1 ZINC000097655633 219045358 /nfs/dbraw/zinc/04/53/58/219045358.db2.gz QEVXPMQLNDNWJW-MKVRJXLHSA-N 0 0 349.430 4.659 50 0 EJAARN O=C(Nc1ccccc1Br)NC12CC3CC(CC(C3)C1)C2 ZINC000004717676 210258607 /nfs/dbraw/zinc/25/86/07/210258607.db2.gz YAVHBZRBLWAECZ-UHFFFAOYSA-N 0 0 349.272 4.539 50 0 EJAARN C[C@@H](Sc1ncccn1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000053336848 214177481 /nfs/dbraw/zinc/17/74/81/214177481.db2.gz AWYJQGPTOCKSAV-CQSZACIVSA-N 0 0 335.432 4.582 50 0 EJAARN Cc1cc(-c2ccccc2NC(=O)C(F)(F)F)nc2ccccc12 ZINC000004710212 210255758 /nfs/dbraw/zinc/25/57/58/210255758.db2.gz GEJLBAACDVTWOF-UHFFFAOYSA-N 0 0 330.309 4.711 50 0 EJAARN Cc1nc(S[C@@H](C)C(=O)Nc2c(Cl)cccc2Cl)oc1C ZINC000053720679 214194634 /nfs/dbraw/zinc/19/46/34/214194634.db2.gz PHKSPDDUKODBPX-VIFPVBQESA-N 0 0 345.251 4.718 50 0 EJAARN Cc1ccc2c(ccc3c2N=C[C@@]2(O3)N(C)c3ccccc3C2(C)C)n1 ZINC000004707549 210255016 /nfs/dbraw/zinc/25/50/16/210255016.db2.gz FEHJUTRCMLYCKS-QFIPXVFZSA-N 0 0 343.430 4.762 50 0 EJAARN Cc1ccc(C)c([C@@H](NC(=O)/C=C/c2ccco2)c2ccccc2)c1 ZINC000004695534 210250862 /nfs/dbraw/zinc/25/08/62/210250862.db2.gz HKKNVLRXLCFERP-GNNUASRNSA-N 0 0 331.415 4.815 50 0 EJAARN CCCCc1ccc(NCCC(=O)c2cc3ccccc3oc2=O)cc1 ZINC000055142508 214278562 /nfs/dbraw/zinc/27/85/62/214278562.db2.gz FYZXDJBVKBXHDM-UHFFFAOYSA-N 0 0 349.430 4.821 50 0 biogenic,in-vitro EJAARN COC(=O)c1ccc(-c2ccc(OCc3ccccc3)cc2)c(OC)c1 ZINC000097756953 219054621 /nfs/dbraw/zinc/05/46/21/219054621.db2.gz AYDYPBAYNJDYFA-UHFFFAOYSA-N 0 0 348.398 4.728 50 0 EJAARN Cc1ccc(S[C@@H](C)C(=O)Nc2cccc3c2CCCC3)cc1 ZINC000055554140 214329975 /nfs/dbraw/zinc/32/99/75/214329975.db2.gz CBOKMJAJUZMGEO-HNNXBMFYSA-N 0 0 325.477 4.993 50 0 EJAARN CCCOc1ccc(C(=O)Nc2nc3ccc(C)cc3s2)cc1 ZINC000004680947 210245953 /nfs/dbraw/zinc/24/59/53/210245953.db2.gz HTXZVJCAIYLDHT-UHFFFAOYSA-N 0 0 326.421 4.646 50 0 EJAARN Cc1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000004679746 210245161 /nfs/dbraw/zinc/24/51/61/210245161.db2.gz RPKKUVOEHPPFKF-UHFFFAOYSA-N 0 0 345.442 4.603 50 0 EJAARN CN(Cc1ccccc1)C(=O)C1c2ccccc2Oc2ccccc21 ZINC000004673028 210243196 /nfs/dbraw/zinc/24/31/96/210243196.db2.gz DPOLFJVEJCHIAK-UHFFFAOYSA-N 0 0 329.399 4.583 50 0 EJAARN O=C(NC(=S)Nc1ccc2ccccc2c1)c1cc2ccccc2o1 ZINC000004663611 210239977 /nfs/dbraw/zinc/23/99/77/210239977.db2.gz 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/nfs/dbraw/zinc/53/79/58/214537958.db2.gz LUYMWNWNFPYYDO-UHFFFAOYSA-N 0 0 344.263 4.743 50 0 EJAARN Fc1ccc(-c2nnc(SCc3nc4ccccc4s3)o2)cc1 ZINC000004602035 210230979 /nfs/dbraw/zinc/23/09/79/210230979.db2.gz CHTSTALKIOGUFG-UHFFFAOYSA-N 0 0 343.408 4.778 50 0 EJAARN CCCCN1C(=O)c2ccccc2[C@@H]1Sc1ccc(OC)cc1 ZINC000004603298 210230328 /nfs/dbraw/zinc/23/03/28/210230328.db2.gz PSOSDXRSDQFGNI-IBGZPJMESA-N 0 0 327.449 4.742 50 0 EJAARN CCSc1cccc(C(=O)Nc2ccc3sc(C)nc3c2)c1 ZINC000004585769 210227763 /nfs/dbraw/zinc/22/77/63/210227763.db2.gz LYFMHYSMBPGRFI-UHFFFAOYSA-N 0 0 328.462 4.969 50 0 EJAARN Cc1ccccc1-n1cnnc1S[C@@H](C)c1ccc(F)cc1F ZINC000059926750 214625466 /nfs/dbraw/zinc/62/54/66/214625466.db2.gz SACGOCDHAIMDKP-LBPRGKRZSA-N 0 0 331.391 4.707 50 0 EJAARN O=C(Nc1cccc(Br)c1)c1cccc2c1CCCC2 ZINC000098073012 219078383 /nfs/dbraw/zinc/07/83/83/219078383.db2.gz LSHTUTWOUYFAOW-UHFFFAOYSA-N 0 0 330.225 4.580 50 0 EJAARN CN(C(=O)/C=C/c1cscn1)c1ccc(Oc2ccccc2)cc1 ZINC000060267495 214631767 /nfs/dbraw/zinc/63/17/67/214631767.db2.gz NUUIRPMSROEEGB-KPKJPENVSA-N 0 0 336.416 4.612 50 0 EJAARN O=C1C[C@@H](c2ccsc2)c2cnn(Cc3ccc(Cl)cc3)c2N1 ZINC000049546446 214016390 /nfs/dbraw/zinc/01/63/90/214016390.db2.gz AZHINZWENLESET-AWEZNQCLSA-N 0 0 343.839 4.770 50 0 EJAARN O=c1c2ccccc2nc(/C=C/c2ccccc2F)n1-c1ccccc1 ZINC000004577819 210225120 /nfs/dbraw/zinc/22/51/20/210225120.db2.gz VNSIZTQFESENDA-CCEZHUSRSA-N 0 0 342.373 4.695 50 0 EJAARN O=C1OC(c2ccccc2)=N/C1=C\c1cccc(Oc2ccccc2)c1 ZINC000004578570 210224863 /nfs/dbraw/zinc/22/48/63/210224863.db2.gz LMLPPLSCDUSBPH-HKWRFOASSA-N 0 0 341.366 4.823 50 0 EJAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1ccc2ccccc2c1 ZINC000004570491 210223577 /nfs/dbraw/zinc/22/35/77/210223577.db2.gz JXBMOYKGUOEEAD-UHFFFAOYSA-N 0 0 339.416 4.557 50 0 EJAARN CC[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(F)cc2)N3)C1 ZINC000004545463 210219824 /nfs/dbraw/zinc/21/98/24/210219824.db2.gz HBDHUZYIASECNZ-QFYYESIMSA-N 0 0 330.428 4.831 50 0 EJAARN Cc1ccccc1NC(=O)COc1c(Cl)cc(Cl)cc1Cl ZINC000004542122 210218336 /nfs/dbraw/zinc/21/83/36/210218336.db2.gz QQUCDRCJWXRUBA-UHFFFAOYSA-N 0 0 344.625 4.973 50 0 EJAARN COc1ccc(CCC(=O)Nc2cccc(Cl)c2C)cc1Cl ZINC000004542051 210218388 /nfs/dbraw/zinc/21/83/88/210218388.db2.gz RXNKBGMKEXUTAJ-UHFFFAOYSA-N 0 0 338.234 4.882 50 0 EJAARN Cc1ccc(OC(=O)c2c3ccccc3nc3c2CCCC3)cc1C ZINC000004542242 210218023 /nfs/dbraw/zinc/21/80/23/210218023.db2.gz FCRFIDYBOYRFRO-UHFFFAOYSA-N 0 0 331.415 4.950 50 0 EJAARN COc1cccc(/C=C/C(=O)Nc2ccc(Cl)cc2C)c1Cl ZINC000004542766 210218276 /nfs/dbraw/zinc/21/82/76/210218276.db2.gz GOASGDFLESTOOT-RMKNXTFCSA-N 0 0 336.218 4.962 50 0 EJAARN S=c1oc(-c2ccccc2)nn1CN1CCC[C@@H]1c1cccs1 ZINC000007143392 201713508 /nfs/dbraw/zinc/71/35/08/201713508.db2.gz KQJUQPXPORJHCR-CQSZACIVSA-N 0 0 343.477 4.729 50 0 EJAARN CCc1cccc(C)c1NC(=O)CCc1cccc(OC)c1Cl ZINC000004542812 210217490 /nfs/dbraw/zinc/21/74/90/210217490.db2.gz NUQKUIVTZIMWIO-UHFFFAOYSA-N 0 0 331.843 4.791 50 0 EJAARN COc1cccc(/C=C/C(=O)Nc2ccc(C)c(Cl)c2)c1Cl ZINC000004542749 210217537 /nfs/dbraw/zinc/21/75/37/210217537.db2.gz QDTGFJYXVSVAMR-VQHVLOKHSA-N 0 0 336.218 4.962 50 0 EJAARN O=C1SC(=CNc2ccc(Br)cc2)c2ccccc21 ZINC000100056613 219089960 /nfs/dbraw/zinc/08/99/60/219089960.db2.gz YEPOLCIQLDYTDX-ZROIWOOFSA-N 0 0 332.222 4.747 50 0 EJAARN CCOC(=O)/C=C1\N[C@@]2(C)CCCC[C@H]2c2c3ccccc3ccc21 ZINC000004520478 210212265 /nfs/dbraw/zinc/21/22/65/210212265.db2.gz VAZRPGPBFIBQRT-JKRGVENSSA-N 0 0 335.447 4.763 50 0 EJAARN CCCCc1ccc(C2=N/C(=C\c3ccc(OCC)cc3)C(=O)O2)cc1 ZINC000004510998 210208534 /nfs/dbraw/zinc/20/85/34/210208534.db2.gz RULHXMVLEFNGPP-HKWRFOASSA-N 0 0 349.430 4.772 50 0 EJAARN Cc1nc2cc(NC(=O)CSc3ccc(Cl)cc3)ccc2s1 ZINC000004496559 210203935 /nfs/dbraw/zinc/20/39/35/210203935.db2.gz QNLDHGYCYAZYJZ-UHFFFAOYSA-N 0 0 348.880 4.989 50 0 EJAARN O=C(CSc1ccccc1)Nc1nc2c(cccc2Cl)s1 ZINC000004496614 210203051 /nfs/dbraw/zinc/20/30/51/210203051.db2.gz JMICEIFLQNFJLE-UHFFFAOYSA-N 0 0 334.853 4.681 50 0 EJAARN CCOc1cc2c(cc1OCC)[C@H](c1ccccc1Cl)CC(=O)N2 ZINC000004488936 210202481 /nfs/dbraw/zinc/20/24/81/210202481.db2.gz ZFHFNXXMELEBIG-ZDUSSCGKSA-N 0 0 345.826 4.612 50 0 EJAARN Cc1cc2c(ncnc2SCC(=O)c2cc3ccccc3o2)s1 ZINC000004488354 210201767 /nfs/dbraw/zinc/20/17/67/210201767.db2.gz WZGDBSIVQCQVNA-UHFFFAOYSA-N 0 0 340.429 4.721 50 0 EJAARN CCCCCC[C@@H](C)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000004472874 210195985 /nfs/dbraw/zinc/19/59/85/210195985.db2.gz QYZBQHHHFJIRQH-CQSZACIVSA-N 0 0 325.880 4.973 50 0 EJAARN Clc1ccc(C2=Nc3ncnn3[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000100701056 219103991 /nfs/dbraw/zinc/10/39/91/219103991.db2.gz VIOLGXYHWSZXFD-INIZCTEOSA-N 0 0 343.217 4.641 50 0 EJAARN Cc1cccc2c(=O)c(-c3ccccc3)c(NC(=O)CC(C)C)oc12 ZINC000100676457 219104480 /nfs/dbraw/zinc/10/44/80/219104480.db2.gz LMPAFOSQNKAPAD-UHFFFAOYSA-N 0 0 335.403 4.753 50 0 EJAARN CC[C@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccccc2C)C1=O ZINC000004457087 210194135 /nfs/dbraw/zinc/19/41/35/210194135.db2.gz HVFJEJVAAYHYEK-IQGJIOQQSA-N 0 0 340.448 4.621 50 0 EJAARN CC[C@@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccccc2C)C1=O ZINC000004457086 210193999 /nfs/dbraw/zinc/19/39/99/210193999.db2.gz HVFJEJVAAYHYEK-RFRKOGIWSA-N 0 0 340.448 4.621 50 0 EJAARN Cc1csc(=Nc2ccccc2)n1CC(=O)c1ccc(C)cc1C ZINC000100840896 219108428 /nfs/dbraw/zinc/10/84/28/219108428.db2.gz AIUPEBMFTDZZOF-QZQOTICOSA-N 0 0 336.460 4.590 50 0 EJAARN Clc1ccc([C@H]2CC(c3cccs3)=Nc3ncnn32)c(Cl)c1 ZINC000100869402 219109960 /nfs/dbraw/zinc/10/99/60/219109960.db2.gz JHESJJFLYSTSQW-CYBMUJFWSA-N 0 0 349.246 4.702 50 0 EJAARN Clc1ccc([C@@H]2CC(c3cccs3)=Nc3ncnn32)c(Cl)c1 ZINC000100869404 219110363 /nfs/dbraw/zinc/11/03/63/219110363.db2.gz JHESJJFLYSTSQW-ZDUSSCGKSA-N 0 0 349.246 4.702 50 0 EJAARN O=C(NCCSCc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000004390632 210186136 /nfs/dbraw/zinc/18/61/36/210186136.db2.gz XGYQMMGAKFUXFT-UHFFFAOYSA-N 0 0 340.275 4.657 50 0 EJAARN O=C1C[C@H](c2cccs2)Sc2nc(-c3ccc(Cl)cc3)nn21 ZINC000004387877 210185715 /nfs/dbraw/zinc/18/57/15/210185715.db2.gz LELXAROFFJXUIH-GFCCVEGCSA-N 0 0 347.852 4.537 50 0 EJAARN O=C1Nc2ccc(Cl)cc2[C@@H]1Cc1ccc(OC2CCCC2)cc1 ZINC000101015993 219113947 /nfs/dbraw/zinc/11/39/47/219113947.db2.gz BSUSCZARRIOIAA-SFHVURJKSA-N 0 0 341.838 4.940 50 0 EJAARN CCCCc1c(O)cc(-c2ccccc2)n(Cc2ccccc2)c1=O ZINC000004375751 210183628 /nfs/dbraw/zinc/18/36/28/210183628.db2.gz OXDUOMURSRUESK-UHFFFAOYSA-N 0 0 333.431 4.612 50 0 EJAARN Cc1ccc(-c2noc3c2nc(C)nc3NCc2cccc(C)c2)cc1 ZINC000064835209 214808592 /nfs/dbraw/zinc/80/85/92/214808592.db2.gz OJJHJGLLZYAKSE-UHFFFAOYSA-N 0 0 344.418 4.822 50 0 EJAARN S=C(NCc1csc2ccccc12)Nc1ccc2c(c1)CCC2 ZINC000064892952 214812386 /nfs/dbraw/zinc/81/23/86/214812386.db2.gz YSIWOPUQDBRIMY-UHFFFAOYSA-N 0 0 338.501 4.877 50 0 EJAARN Cc1nc(C)c(-c2ccc(SCc3ccc(F)cc3)nn2)s1 ZINC000004358305 210179552 /nfs/dbraw/zinc/17/95/52/210179552.db2.gz WYZKNPNAXMQSEO-UHFFFAOYSA-N 0 0 331.441 4.648 50 0 EJAARN CCSc1nnc(Cc2ccccc2)n1-c1cccc(Cl)c1 ZINC000004357467 210178596 /nfs/dbraw/zinc/17/85/96/210178596.db2.gz AZVPZZVKZNSXOT-UHFFFAOYSA-N 0 0 329.856 4.624 50 0 EJAARN CCc1ccc(Nc2ncnc3ccc(Br)cc32)cc1 ZINC000004341509 210175684 /nfs/dbraw/zinc/17/56/84/210175684.db2.gz WOPDFABNNZWVRV-UHFFFAOYSA-N 0 0 328.213 4.698 50 0 EJAARN COC(=O)c1cc(Nc2cccc(SC)c2)c2cccc(F)c2n1 ZINC000065033711 214824223 /nfs/dbraw/zinc/82/42/23/214824223.db2.gz HFTHZRCOMQDEDO-UHFFFAOYSA-N 0 0 342.395 4.626 50 0 EJAARN Cc1sc(-c2nnc(C(C)C)o2)cc1NC(=O)c1cccs1 ZINC000065149309 214832508 /nfs/dbraw/zinc/83/25/08/214832508.db2.gz PQPIDOFDHIYTNY-UHFFFAOYSA-N 0 0 333.438 4.544 50 0 EJAARN Cc1nc(Nc2cccc(F)c2)sc1C(=O)Nc1cccc(C)c1 ZINC000065184712 214840546 /nfs/dbraw/zinc/84/05/46/214840546.db2.gz IIRDXAMLZZLHDV-UHFFFAOYSA-N 0 0 341.411 4.895 50 0 EJAARN Cc1ccc(C(=O)Nc2ccsc2-c2nnc(C(C)C)o2)cc1C ZINC000065218692 214845067 /nfs/dbraw/zinc/84/50/67/214845067.db2.gz QTMKOMOBPJBALL-UHFFFAOYSA-N 0 0 341.436 4.791 50 0 EJAARN CSc1nc(-c2ccc(Cl)cc2)nc(N)c1-c1ccccc1 ZINC000004307165 210166655 /nfs/dbraw/zinc/16/66/55/210166655.db2.gz FHBVEQXRGOFQFA-UHFFFAOYSA-N 0 0 327.840 4.768 50 0 EJAARN CC(C)c1nnc(-c2sccc2NC(=O)c2ccc(Cl)cc2)o1 ZINC000065218760 214845752 /nfs/dbraw/zinc/84/57/52/214845752.db2.gz KIVGQLVUTVCYJR-UHFFFAOYSA-N 0 0 347.827 4.827 50 0 EJAARN Cc1ccc2cc(C(=O)N(Cc3ccc([C@H]4C[C@@H]4C)o3)C3CC3)[nH]c2c1 ZINC000048303178 213916894 /nfs/dbraw/zinc/91/68/94/213916894.db2.gz FOJDDGVLACLPQJ-KSSFIOAISA-N 0 0 348.446 4.998 50 0 EJAARN Cc1ccc(-c2csc(NC(=O)c3ccccc3F)n2)cc1C ZINC000004247012 210151146 /nfs/dbraw/zinc/15/11/46/210151146.db2.gz UAWDWCWRTIQKLB-UHFFFAOYSA-N 0 0 326.396 4.818 50 0 EJAARN O=c1nc(SCc2ccccc2)[nH]c2sc3c(c21)CCCCC3 ZINC000008739361 201759108 /nfs/dbraw/zinc/75/91/08/201759108.db2.gz AOVLVNGULYFDAZ-UHFFFAOYSA-N 0 0 342.489 4.546 50 0 EJAARN CC[C@@H](c1nnc(NC(=O)Nc2ccccc2)s1)c1ccccc1 ZINC000008769632 201761180 /nfs/dbraw/zinc/76/11/80/201761180.db2.gz LMKCCHDNYSCZPO-OAHLLOKOSA-N 0 0 338.436 4.724 50 0 EJAARN Cc1ccnc(NC(=O)c2ccc(C3SCCCS3)cc2)c1 ZINC000009339221 201774777 /nfs/dbraw/zinc/77/47/77/201774777.db2.gz NQOOKVINGINMSD-UHFFFAOYSA-N 0 0 330.478 4.511 50 0 EJAARN Cc1ccc(Oc2ccc(NC(=O)CCc3cccnc3)cc2)cc1 ZINC000009471133 201778706 /nfs/dbraw/zinc/77/87/06/201778706.db2.gz LNAQVAORTAHLAY-UHFFFAOYSA-N 0 0 332.403 4.754 50 0 EJAARN O=c1[nH]c(-c2ccc(F)cc2)nc2c1Cc1c(ccc3ccccc31)O2 ZINC000004169849 210138647 /nfs/dbraw/zinc/13/86/47/210138647.db2.gz VHGJGRYECPZNMI-UHFFFAOYSA-N 0 0 344.345 4.838 50 0 EJAARN CCC(=O)Nc1c2ccccc2oc1C(=O)Nc1ccc(Cl)cc1 ZINC000004162547 210135366 /nfs/dbraw/zinc/13/53/66/210135366.db2.gz VXAAIPALNZIDNN-UHFFFAOYSA-N 0 0 342.782 4.687 50 0 EJAARN Cc1ccc(Nc2ncc3c(n2)C[C@H](c2cccc(C)c2)CC3=O)cc1 ZINC000010156612 201794785 /nfs/dbraw/zinc/79/47/85/201794785.db2.gz KZEFENAWWWIBLK-KRWDZBQOSA-N 0 0 343.430 4.750 50 0 EJAARN CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccco2)N3)C1 ZINC000004153191 210133951 /nfs/dbraw/zinc/13/39/51/210133951.db2.gz WKVHBNOJINAGIT-MEBBXXQBSA-N 0 0 330.453 4.921 50 0 aggregator EJAARN CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1C)CCCCC2 ZINC000004150891 210132430 /nfs/dbraw/zinc/13/24/30/210132430.db2.gz XCMQSXZRFWXPMT-UHFFFAOYSA-N 0 0 342.464 4.536 50 0 EJAARN Cc1noc(C)c1CN(CCCC1CCCC1)Cc1c(C)noc1C ZINC000065565899 214963360 /nfs/dbraw/zinc/96/33/60/214963360.db2.gz GFNSRBNZLAQKEY-UHFFFAOYSA-N 0 0 345.487 4.869 50 0 EJAARN Cc1[nH]c2ccccc2c1C(=O)NCc1ccc(-c2ccccc2)o1 ZINC000065575661 214966584 /nfs/dbraw/zinc/96/65/84/214966584.db2.gz HAAJJKCFDIXUJP-UHFFFAOYSA-N 0 0 330.387 4.666 50 0 EJAARN CC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(C)cc3)n2)s1 ZINC000004116998 210123940 /nfs/dbraw/zinc/12/39/40/210123940.db2.gz FLVVAYJIHWYZCI-UHFFFAOYSA-N 0 0 344.465 4.585 50 0 EJAARN O=C1c2ccccc2N[C@@H](c2csc(-c3ccccc3)n2)N1C1CC1 ZINC000012548834 201852959 /nfs/dbraw/zinc/85/29/59/201852959.db2.gz UIZHUKKAQKTDHM-GOSISDBHSA-N 0 0 347.443 4.539 50 0 EJAARN O=C(Nc1ccc2snnc2c1)Nc1ccc(Cl)cc1Cl ZINC000004108234 210121990 /nfs/dbraw/zinc/12/19/90/210121990.db2.gz HRLDDHFOKPRPLQ-UHFFFAOYSA-N 0 0 339.207 4.642 50 0 EJAARN CCn1c(S[C@H](C)c2nc3ccccc3s2)nnc1C1CC1 ZINC000012779172 201867054 /nfs/dbraw/zinc/86/70/54/201867054.db2.gz GSXHNDJOEBCGQM-SNVBAGLBSA-N 0 0 330.482 4.638 50 0 EJAARN Cc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3F)cs2)cc1 ZINC000004090431 210118027 /nfs/dbraw/zinc/11/80/27/210118027.db2.gz DUNQVGFOOXICCU-UHFFFAOYSA-N 0 0 330.359 4.649 50 0 EJAARN COc1cc2nc(C(F)(F)F)cc(-c3cccs3)c2c(OC)c1 ZINC000012821479 201870777 /nfs/dbraw/zinc/87/07/77/201870777.db2.gz IDWPYODLTVUGOD-UHFFFAOYSA-N 0 0 339.338 4.999 50 0 EJAARN CC(C)(C)CC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000012981993 201879967 /nfs/dbraw/zinc/87/99/67/201879967.db2.gz DNVVKQMOUDBYKN-UHFFFAOYSA-N 0 0 325.412 4.705 50 0 EJAARN O=C(c1cccc(F)c1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000012997320 201880982 /nfs/dbraw/zinc/88/09/82/201880982.db2.gz YTAUSIFYIKXYSW-KRWDZBQOSA-N 0 0 343.448 4.737 50 0 EJAARN O=C(CCCc1nc2ccccc2s1)Nc1ccccc1Cl ZINC000013005955 201882295 /nfs/dbraw/zinc/88/22/95/201882295.db2.gz BWPNAXJOJFKMIZ-UHFFFAOYSA-N 0 0 330.840 4.911 50 0 EJAARN CCCCSc1nnc(NC(=O)c2ccc3ccccc3c2)s1 ZINC000004079484 210114472 /nfs/dbraw/zinc/11/44/72/210114472.db2.gz PQKZCFAWQGCTDQ-UHFFFAOYSA-N 0 0 343.477 4.836 50 0 EJAARN CCOC(=O)c1cnc2c(C)c(C)ccc2c1NCc1ccccc1 ZINC000004070768 210112125 /nfs/dbraw/zinc/11/21/25/210112125.db2.gz GILZKNUACPJYLL-UHFFFAOYSA-N 0 0 334.419 4.640 50 0 EJAARN Cc1ccc(Nc2c3[nH]cccc-3c(=O)n2C2CCCCC2)cc1C ZINC000004057169 210108906 /nfs/dbraw/zinc/10/89/06/210108906.db2.gz KAXKGOOKBJMXNP-HXUWFJFHSA-N 0 0 335.451 4.598 50 0 EJAARN O=C1C[C@H](c2ccc(O)cc2)c2scc(-c3ccccc3F)c2N1 ZINC000046076600 213779241 /nfs/dbraw/zinc/77/92/41/213779241.db2.gz SPKSUDNODKIJKQ-CQSZACIVSA-N 0 0 339.391 4.734 50 0 EJAARN Brc1cc(Br)c2nc3c(cc2c1)CCCC3 ZINC000004051037 210108378 /nfs/dbraw/zinc/10/83/78/210108378.db2.gz ZIYBFZCKPVHXLG-UHFFFAOYSA-N 0 0 341.046 4.639 50 0 EJAARN COc1ccc([C@H](CCN(Cc2ccccc2)C(C)=O)C(C)C)cc1 ZINC000004042848 210107983 /nfs/dbraw/zinc/10/79/83/210107983.db2.gz YDKXNFONMNHVIV-JOCHJYFZSA-N 0 0 339.479 4.874 50 0 biogenic EJAARN O=C(Nc1nc2ccccc2s1)N1CCC[C@@H]1c1ccsc1 ZINC000045954913 213768730 /nfs/dbraw/zinc/76/87/30/213768730.db2.gz GCAUZSGHCHOXGD-CYBMUJFWSA-N 0 0 329.450 4.727 50 0 EJAARN C[C@@H]1CCC[C@@H](C)N1C(=O)CCCOc1ccc(Cl)cc1Cl ZINC000004020132 210101386 /nfs/dbraw/zinc/10/13/86/210101386.db2.gz DBIYUFJDAUQTLQ-CHWSQXEVSA-N 0 0 344.282 4.942 50 0 EJAARN Cc1ccc([C@H](C)NC(=O)Nc2ccccc2Br)c(C)c1 ZINC000013746043 201914630 /nfs/dbraw/zinc/91/46/30/201914630.db2.gz WXBLZYLTHLOABN-ZDUSSCGKSA-N 0 0 347.256 4.949 50 0 EJAARN Cn1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCCC4)c2ccccc21 ZINC000004006274 210099151 /nfs/dbraw/zinc/09/91/51/210099151.db2.gz MNKCRVFCVZMIMS-QGZVFWFLSA-N 0 0 337.448 4.548 50 0 EJAARN Nc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(N)cc3)n2)cc1 ZINC000004005903 210098264 /nfs/dbraw/zinc/09/82/64/210098264.db2.gz ZTLKRDXZTBITGV-UHFFFAOYSA-N 0 0 338.414 4.642 50 0 EJAARN O=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2ccc(F)cc2)on1 ZINC000003907640 210091797 /nfs/dbraw/zinc/09/17/97/210091797.db2.gz CBZUKMAIRPHYRY-UHFFFAOYSA-N 0 0 334.709 4.526 50 0 EJAARN COc1cc(NC(=O)c2sccc2-c2ccccc2)cc(OC)c1 ZINC000014125099 201927233 /nfs/dbraw/zinc/92/72/33/201927233.db2.gz ZESVHBDTTNUOOR-UHFFFAOYSA-N 0 0 339.416 4.685 50 0 EJAARN Cc1ccc2nc(NC(=O)C34CC5CC(CC(C5)C3)C4)sc2c1 ZINC000003899952 210087837 /nfs/dbraw/zinc/08/78/37/210087837.db2.gz ZYZAUSBUNBRJMK-UHFFFAOYSA-N 0 0 326.465 4.760 50 0 EJAARN O=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000003898819 210087307 /nfs/dbraw/zinc/08/73/07/210087307.db2.gz SQIBVJCFMCUNGG-QFIPXVFZSA-N 0 0 326.399 4.855 50 0 EJAARN CC(C)OC(=O)Cc1nc2sc(-c3ccccc3)cc2c(Cl)n1 ZINC000003887734 210085231 /nfs/dbraw/zinc/08/52/31/210085231.db2.gz DTEQKPOZSKMFOX-UHFFFAOYSA-N 0 0 346.839 4.506 50 0 EJAARN COc1ccc(N2C(=S)N=NC2c2ccc(C(C)(C)C)cc2)cc1 ZINC000003886774 210085044 /nfs/dbraw/zinc/08/50/44/210085044.db2.gz VJTWNARMQHTMAT-UHFFFAOYSA-N 0 0 339.464 4.529 50 0 EJAARN O=c1oc(C23CC4CC(CC(C4)C2)C3)nc2sc3c(c21)CCCC3 ZINC000003893036 210084766 /nfs/dbraw/zinc/08/47/66/210084766.db2.gz ZCBKIUFJKUZUPD-UHFFFAOYSA-N 0 0 341.476 4.596 50 0 EJAARN CN(Cc1cccc(F)c1)C(=O)CCC(=O)c1ccc2ccccc2c1 ZINC000014227407 201934375 /nfs/dbraw/zinc/93/43/75/201934375.db2.gz VVHRWZJSYIXFRG-UHFFFAOYSA-N 0 0 349.405 4.600 50 0 EJAARN Cc1ccc2[nH]c(-c3cccc(-c4nc5cc(C)ccc5[nH]4)n3)nc2c1 ZINC000003654659 210072317 /nfs/dbraw/zinc/07/23/17/210072317.db2.gz CXHVMCLLVSAXIU-UHFFFAOYSA-N 0 0 339.402 4.785 50 0 EJAARN O=[S@@](Cc1coc(-c2cccc(Cl)c2)n1)Cc1ccccc1F ZINC000066299841 215032407 /nfs/dbraw/zinc/03/24/07/215032407.db2.gz VIYIBZGGTGMFSF-QHCPKHFHSA-N 0 0 349.814 4.583 50 0 EJAARN CCCN/C(C)=C/c1nsc(Nc2ccc(Cl)c(Cl)c2)n1 ZINC000003631609 210068802 /nfs/dbraw/zinc/06/88/02/210068802.db2.gz LMJUWKGAKNCWOP-VQHVLOKHSA-N 0 0 343.283 4.949 50 0 EJAARN Cc1cccc(O[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)c1 ZINC000003606904 210064811 /nfs/dbraw/zinc/06/48/11/210064811.db2.gz FFLPNPJLJPHGNM-SFHVURJKSA-N 0 0 345.442 4.668 50 0 EJAARN O=C(c1ccc(-n2cc[nH]c2=S)cc1)N1CCC[C@@H]1c1ccccc1 ZINC000045065078 213705108 /nfs/dbraw/zinc/70/51/08/213705108.db2.gz UMWIXPUEEPUMCW-GOSISDBHSA-N 0 0 349.459 4.512 50 0 EJAARN Cc1cccc(C(C)C)c1NC(=O)CN(C)Cc1ccc(Cl)cc1 ZINC000003540577 210049937 /nfs/dbraw/zinc/04/99/37/210049937.db2.gz WHSWXSJYXDMSDC-UHFFFAOYSA-N 0 0 344.886 4.842 50 0 EJAARN COc1ccc(-c2nnc(SCc3cc(C)cc(C)c3)o2)cc1 ZINC000003459185 210045857 /nfs/dbraw/zinc/04/58/57/210045857.db2.gz VGQMPOWAAUIHET-UHFFFAOYSA-N 0 0 326.421 4.654 50 0 EJAARN CCc1cccc(C)c1NC(=O)c1cc(OC)ccc1Br ZINC000003455985 210044793 /nfs/dbraw/zinc/04/47/93/210044793.db2.gz YSWCUGSLZCQBDY-UHFFFAOYSA-N 0 0 348.240 4.581 50 0 EJAARN O=C(COc1ccc2ccccc2c1)OCc1nc2ccccc2s1 ZINC000003462671 210046900 /nfs/dbraw/zinc/04/69/00/210046900.db2.gz LHBJBRHCRJJLBT-UHFFFAOYSA-N 0 0 349.411 4.572 50 0 EJAARN CCc1ccc(Nc2nnc(SCC(=O)C(C)(C)C)s2)cc1 ZINC000003461449 210046594 /nfs/dbraw/zinc/04/65/94/210046594.db2.gz JOXHAKSIHXFSEY-UHFFFAOYSA-N 0 0 335.498 4.551 50 0 EJAARN CCc1ccc(Cl)c(CC)c1NC(=O)Cc1ccccc1OC ZINC000003456176 210044249 /nfs/dbraw/zinc/04/42/49/210044249.db2.gz CGQCQTXWHNYXEN-UHFFFAOYSA-N 0 0 331.843 4.655 50 0 EJAARN Cc1cnc(-c2cccc(NC(=O)c3ccccc3C(F)(F)F)c2)o1 ZINC000066811621 215080884 /nfs/dbraw/zinc/08/08/84/215080884.db2.gz KCHCZHLCSKWVRU-UHFFFAOYSA-N 0 0 346.308 4.921 50 0 EJAARN CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccccc2-c2ccccc2)C1 ZINC000044857408 213651579 /nfs/dbraw/zinc/65/15/79/213651579.db2.gz XIKBZYDKJPMAEG-QGZVFWFLSA-N 0 0 338.451 4.775 50 0 EJAARN COc1ccc(Cl)cc1NC(=O)CCC(=O)c1cc(C)ccc1C ZINC000003429661 210037440 /nfs/dbraw/zinc/03/74/40/210037440.db2.gz YAEHKLUMMVLILE-UHFFFAOYSA-N 0 0 345.826 4.567 50 0 EJAARN O=C(NCc1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1Cl ZINC000003430525 210036900 /nfs/dbraw/zinc/03/69/00/210036900.db2.gz FDRWJJADLYTHDW-UHFFFAOYSA-N 0 0 348.151 4.942 50 0 EJAARN CC(C)c1ccccc1NC(=O)/C=C/c1ccc(Br)o1 ZINC000003409753 210031260 /nfs/dbraw/zinc/03/12/60/210031260.db2.gz FOCRTSKSRQOUID-CSKARUKUSA-N 0 0 334.213 4.817 50 0 EJAARN COCc1c2ccccc2oc1C(=O)Nc1ccc(Cl)cc1F ZINC000003407087 210030187 /nfs/dbraw/zinc/03/01/87/210030187.db2.gz JGZLBKPRNGKCSE-UHFFFAOYSA-N 0 0 333.746 4.624 50 0 EJAARN CCOc1ccc(OCCCC(=O)Nc2ccccc2Cl)cc1 ZINC000003406747 210029937 /nfs/dbraw/zinc/02/99/37/210029937.db2.gz FBQFDHOPPBQZFM-UHFFFAOYSA-N 0 0 333.815 4.536 50 0 EJAARN FC(F)(F)c1ccnn1-c1nc(-c2cc3ccccc3o2)cs1 ZINC000003406281 210029715 /nfs/dbraw/zinc/02/97/15/210029715.db2.gz SVDQXWKFGHWVMC-UHFFFAOYSA-N 0 0 335.310 4.761 50 0 EJAARN CC[C@H](C)c1ccc(OCC(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000003405646 210029340 /nfs/dbraw/zinc/02/93/40/210029340.db2.gz XPKWNPYJGXXWEW-HNNXBMFYSA-N 0 0 345.870 4.591 50 0 EJAARN O=C1Nc2ccc(Cl)cc2/C1=C/c1ccc(Br)s1 ZINC000003388957 210025073 /nfs/dbraw/zinc/02/50/73/210025073.db2.gz JDOJQSKKMUIPGT-POHAHGRESA-N 0 0 340.629 4.657 50 0 EJAARN COc1ccccc1[C@@H]1c2c(C)noc2NC2=C1C(=O)CC(C)(C)C2 ZINC000102720996 219225581 /nfs/dbraw/zinc/22/55/81/219225581.db2.gz RPXSBFXCHIBBAG-QGZVFWFLSA-N 0 0 338.407 4.842 50 0 EJAARN COc1ccc(CSc2nnc(Nc3ccccc3)s2)cc1F ZINC000003380990 210022804 /nfs/dbraw/zinc/02/28/04/210022804.db2.gz DCYIGQTZPQBODO-UHFFFAOYSA-N 0 0 347.440 4.722 50 0 EJAARN FC(F)Sc1ccc(NC(=S)Nc2cccnc2Cl)cc1 ZINC000003381026 210022626 /nfs/dbraw/zinc/02/26/26/210022626.db2.gz BODKYOOKYWHLDW-UHFFFAOYSA-N 0 0 345.827 4.859 50 0 EJAARN O=C(NCc1cccc(C(F)(F)F)c1)c1ccccc1C(F)(F)F ZINC000003372648 210020724 /nfs/dbraw/zinc/02/07/24/210020724.db2.gz SWMXYSYQUVXTND-UHFFFAOYSA-N 0 0 347.258 4.654 50 0 EJAARN CC1(C)CC(=O)C2C(=Nc3nonc3N[C@H]2c2cccc(Cl)c2)C1 ZINC000102748820 219227669 /nfs/dbraw/zinc/22/76/69/219227669.db2.gz JYGFDXYZHIAZNF-AWEZNQCLSA-N 0 0 344.802 4.594 50 0 EJAARN COc1cc(Cl)c(C)cc1NC(=O)COc1ccccc1C(C)C ZINC000003359415 210017813 /nfs/dbraw/zinc/01/78/13/210017813.db2.gz XPQKYXOOKWOCLW-UHFFFAOYSA-N 0 0 347.842 4.798 50 0 EJAARN Cc1ccc(-c2nn(-c3ccc(F)cc3)c(=O)c3ccccc32)cc1 ZINC000003349546 210015653 /nfs/dbraw/zinc/01/56/53/210015653.db2.gz VXNMJLLJWOHBRY-UHFFFAOYSA-N 0 0 330.362 4.500 50 0 EJAARN COc1ccc(Cl)cc1C(=O)Nc1nc(-c2ccc(C)o2)cs1 ZINC000003347553 210014146 /nfs/dbraw/zinc/01/41/46/210014146.db2.gz CPVJJWAEYZFYTD-UHFFFAOYSA-N 0 0 348.811 4.626 50 0 EJAARN CC(C)CCC[C@@H](C)NC(=O)c1ccc(C(=O)c2ccccc2)cc1 ZINC000003338493 210012000 /nfs/dbraw/zinc/01/20/00/210012000.db2.gz DHFOGKCDRDIVRL-QGZVFWFLSA-N 0 0 337.463 4.862 50 0 EJAARN O=C(NC1CCCCCC1)c1cccnc1Sc1ccccc1 ZINC000003332461 210011042 /nfs/dbraw/zinc/01/10/42/210011042.db2.gz HDRBRDNWPACYAG-UHFFFAOYSA-N 0 0 326.465 4.685 50 0 EJAARN Cc1cc(C)c(C(=O)COC(=O)c2cccc3ccccc32)c(C)c1 ZINC000003334053 210010740 /nfs/dbraw/zinc/01/07/40/210010740.db2.gz MAUPTWOWXZZUHQ-UHFFFAOYSA-N 0 0 332.399 4.805 50 0 EJAARN COc1ccc2c(Cl)c(C(=O)NCC(C)C)sc2c1Cl ZINC000003296189 210000396 /nfs/dbraw/zinc/00/03/96/210000396.db2.gz BLDFKTWGSCVIRB-UHFFFAOYSA-N 0 0 332.252 4.603 50 0 EJAARN COc1ccc2oc(/C=C/C(=O)Nc3ccc(Cl)cc3)cc2c1 ZINC000067339835 215134975 /nfs/dbraw/zinc/13/49/75/215134975.db2.gz JJZSZTIAQWVHTN-VQHVLOKHSA-N 0 0 327.767 4.747 50 0 EJAARN COc1ccc(NC(=O)/C=C/c2cc3cc(Cl)ccc3o2)cc1 ZINC000067339186 215135370 /nfs/dbraw/zinc/13/53/70/215135370.db2.gz VHPYUEIFQCMLOR-VQHVLOKHSA-N 0 0 327.767 4.747 50 0 EJAARN Cc1c2cc(C)c(C)cc2oc1C(=O)Nc1ccc2nsnc2c1 ZINC000015841342 201965873 /nfs/dbraw/zinc/96/58/73/201965873.db2.gz LZZNJBMPUURSPL-UHFFFAOYSA-N 0 0 337.404 4.615 50 0 EJAARN C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1ccccc1C(F)(F)F ZINC000067408139 215142514 /nfs/dbraw/zinc/14/25/14/215142514.db2.gz IRCNKZDQTOYBNC-NSHDSACASA-N 0 0 338.329 4.636 50 0 EJAARN CCN(CC)C1=Nc2ccccc2Oc2ccc(NC(=O)C3CC3)cc21 ZINC000103041959 219249243 /nfs/dbraw/zinc/24/92/43/219249243.db2.gz AOOUUNCVBWILDW-UHFFFAOYSA-N 0 0 349.434 4.561 50 0 EJAARN Cc1cc(-c2c(-c3ccccc3)ncn2[C@H](C)c2cccs2)n[nH]1 ZINC000067473147 215150346 /nfs/dbraw/zinc/15/03/46/215150346.db2.gz IAHANZAXEFZISV-CQSZACIVSA-N 0 0 334.448 4.919 50 0 EJAARN C[C@@H](Cc1cccs1)NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000003211526 209978302 /nfs/dbraw/zinc/97/83/02/209978302.db2.gz SUTXKQMQDNIBSV-VIFPVBQESA-N 0 0 329.252 4.808 50 0 EJAARN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)c1ccco1 ZINC000003210144 209977544 /nfs/dbraw/zinc/97/75/44/209977544.db2.gz ILQKTENHROSMOJ-UHFFFAOYSA-N 0 0 339.203 4.962 50 0 EJAARN CCN(C)C(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccco1 ZINC000103076548 219253153 /nfs/dbraw/zinc/25/31/53/219253153.db2.gz ZPNDQJCZKARABN-PFONDFGASA-N 0 0 346.430 4.797 50 0 EJAARN Cc1cc(-c2c(-c3ccccc3)ncn2[C@@H](C)c2cccs2)n[nH]1 ZINC000067473146 215150884 /nfs/dbraw/zinc/15/08/84/215150884.db2.gz IAHANZAXEFZISV-AWEZNQCLSA-N 0 0 334.448 4.919 50 0 EJAARN Cc1ccc(S(=O)(=O)Oc2ccc(Oc3ccccc3)cc2)cc1 ZINC000003138553 209969278 /nfs/dbraw/zinc/96/92/78/209969278.db2.gz ZCPWPWDWWKRTSN-UHFFFAOYSA-N 0 0 340.400 4.555 50 0 EJAARN COc1ccc(OCCCCCCOc2ccc(OC)cc2)cc1 ZINC000003106060 209964496 /nfs/dbraw/zinc/96/44/96/209964496.db2.gz VNXXCCYZURQKGT-UHFFFAOYSA-N 0 0 330.424 4.722 50 0 EJAARN O=C(c1cc2ccccc2s1)N(CC(F)(F)F)c1ccccn1 ZINC000067655358 215174843 /nfs/dbraw/zinc/17/48/43/215174843.db2.gz LGJHXTINOKPEJR-UHFFFAOYSA-N 0 0 336.338 4.505 50 0 EJAARN COc1ccccc1Oc1cc(Cl)c(CN2CCCC2)c(OC)c1 ZINC000067642033 215172773 /nfs/dbraw/zinc/17/27/73/215172773.db2.gz JXQCAEWFAFZFJH-UHFFFAOYSA-N 0 0 347.842 4.745 50 0 EJAARN Clc1ccc(COn2c3ccccc3nc2-c2ccccc2)cc1 ZINC000003052801 209957715 /nfs/dbraw/zinc/95/77/15/209957715.db2.gz YBCUDOKBKQHJTR-UHFFFAOYSA-N 0 0 334.806 4.986 50 0 EJAARN CCCCOCCCNC(=O)CC(c1ccccc1)c1ccccc1 ZINC000002991590 209952016 /nfs/dbraw/zinc/95/20/16/209952016.db2.gz CVTWWLPWBHWBNA-UHFFFAOYSA-N 0 0 339.479 4.532 50 0 EJAARN CCCCSCCCNC(=S)Nc1cc(Cl)ccc1C ZINC000002933912 209944164 /nfs/dbraw/zinc/94/41/64/209944164.db2.gz WHSKQBXRSGFERQ-UHFFFAOYSA-N 0 0 330.950 4.858 50 0 EJAARN Cc1ccc(C)c(NC(=O)[C@H]2[C@@H](c3ccccc3)C2(Cl)Cl)c1 ZINC000002906938 209941112 /nfs/dbraw/zinc/94/11/12/209941112.db2.gz FIEOVIRMGLLWCZ-HZPDHXFCSA-N 0 0 334.246 4.829 50 0 EJAARN Fc1ccc(Oc2ncccc2CNc2ncccc2Cl)c(F)c1 ZINC000067834430 215224907 /nfs/dbraw/zinc/22/49/07/215224907.db2.gz CVBSGIGCEOSFEL-UHFFFAOYSA-N 0 0 347.752 4.813 50 0 EJAARN O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2ccccc2)on1 ZINC000002874524 209933550 /nfs/dbraw/zinc/93/35/50/209933550.db2.gz KBTCZMCFDRGDMG-UHFFFAOYSA-N 0 0 332.281 4.613 50 0 EJAARN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(F)(F)CC1 ZINC000067868459 215234089 /nfs/dbraw/zinc/23/40/89/215234089.db2.gz IADQHRLYTCJJPT-UHFFFAOYSA-N 0 0 326.774 4.535 50 0 EJAARN COc1ccc(-c2nccn2[C@H](C)c2nccs2)c2ccccc12 ZINC000067946712 215255907 /nfs/dbraw/zinc/25/59/07/215255907.db2.gz SHLYMADLTITAAS-CYBMUJFWSA-N 0 0 335.432 4.778 50 0 EJAARN CC(=O)N(CC[C@@H](c1ccco1)c1ccc(C)cc1)Cc1ccco1 ZINC000002814719 209922369 /nfs/dbraw/zinc/92/23/69/209922369.db2.gz GGOKQDCYXSYLEP-HXUWFJFHSA-N 0 0 337.419 4.752 50 0 biogenic EJAARN CCCCSc1nc2sc(C)c(C)c2c(=O)n1-c1ccccc1 ZINC000002816257 209922219 /nfs/dbraw/zinc/92/22/19/209922219.db2.gz CAAHQAOMSLNZED-UHFFFAOYSA-N 0 0 344.505 4.956 50 0 EJAARN Cc1scc(C(=O)N[C@@H](C)c2ccncc2)c1-c1ccc(C)cc1 ZINC000016603877 201976313 /nfs/dbraw/zinc/97/63/13/201976313.db2.gz RQFVRYJEYXWLDV-AWEZNQCLSA-N 0 0 336.460 4.918 50 0 EJAARN CCc1ccc(-c2cc(C(F)(F)F)n3nc(C)c(Cl)c3n2)cc1 ZINC000002786633 209912751 /nfs/dbraw/zinc/91/27/51/209912751.db2.gz VOHRHRKBUAVQCD-UHFFFAOYSA-N 0 0 339.748 4.939 50 0 EJAARN O=C(NCCCc1ccccc1)C1c2ccccc2Oc2ccccc21 ZINC000002741760 209900982 /nfs/dbraw/zinc/90/09/82/209900982.db2.gz BCXLVXZDIFJZON-UHFFFAOYSA-N 0 0 343.426 4.673 50 0 EJAARN Cc1ccc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(C)c3n2)s1 ZINC000002740964 209899846 /nfs/dbraw/zinc/89/98/46/209899846.db2.gz YLSOADWBPWZOHP-UHFFFAOYSA-N 0 0 337.370 4.901 50 0 EJAARN CCN(C(=O)c1ccc(-c2ccccc2Cl)o1)c1cccnc1 ZINC000068304352 215298628 /nfs/dbraw/zinc/29/86/28/215298628.db2.gz WMDKUZSTINJTHJ-UHFFFAOYSA-N 0 0 326.783 4.662 50 0 EJAARN Cc1cccc(Cc2cnc(NC(=O)c3ccc(Cl)cc3)s2)c1 ZINC000002669175 209889002 /nfs/dbraw/zinc/88/90/02/209889002.db2.gz SFNJTCAVZSVQTA-UHFFFAOYSA-N 0 0 342.851 4.948 50 0 EJAARN CCCCNC(=S)Nc1ccc(Oc2ccc(OCC)cc2)cc1 ZINC000002642888 209882551 /nfs/dbraw/zinc/88/25/51/209882551.db2.gz FODQPTFNKSPOEZ-UHFFFAOYSA-N 0 0 344.480 4.964 50 0 EJAARN O=C(CCSc1ccc(Cl)cc1)Nc1ccc2c(c1)CCC2 ZINC000002638739 209880701 /nfs/dbraw/zinc/88/07/01/209880701.db2.gz DJXPDIHZTFUWHO-UHFFFAOYSA-N 0 0 331.868 4.950 50 0 EJAARN CCC(C)(C)[C@H]1CCc2c(sc(N)c2C(=O)NC2CCCCC2)C1 ZINC000002558482 209867145 /nfs/dbraw/zinc/86/71/45/209867145.db2.gz CIICASJFVKLQIU-ZDUSSCGKSA-N 0 0 348.556 4.934 50 0 EJAARN O=C(CCc1cc(F)c(F)c(F)c1)c1cccc(Br)c1 ZINC000002517849 209861766 /nfs/dbraw/zinc/86/17/66/209861766.db2.gz LMSNRUSPVACORU-UHFFFAOYSA-N 0 0 343.142 4.682 50 0 EJAARN O=C(CCSCCc1ccccn1)Nc1cccc2ccccc21 ZINC000002499559 209859077 /nfs/dbraw/zinc/85/90/77/209859077.db2.gz UUJINRXKLIYGMS-UHFFFAOYSA-N 0 0 336.460 4.539 50 0 EJAARN O=C(CCSc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000002531683 209864640 /nfs/dbraw/zinc/86/46/40/209864640.db2.gz NHUHOSJSMLQAKA-UHFFFAOYSA-N 0 0 339.229 4.953 50 0 EJAARN CCCSc1nnc2c(n1)OC1(CCCCC1)Nc1ccccc1-2 ZINC000002495098 209857445 /nfs/dbraw/zinc/85/74/45/209857445.db2.gz WHRPPPXHHDWQJB-UHFFFAOYSA-N 0 0 342.468 4.505 50 0 biogenic EJAARN O=C(CCOc1ccccc1)Nc1nc2c(ccc3ccccc23)s1 ZINC000002474916 209854591 /nfs/dbraw/zinc/85/45/91/209854591.db2.gz LYMQQPRJPORGKM-UHFFFAOYSA-N 0 0 348.427 4.857 50 0 EJAARN CCCc1nc2sc3c(ncnc3Cl)c2c2c1COC(C)(C)C2 ZINC000002458567 209853658 /nfs/dbraw/zinc/85/36/58/209853658.db2.gz AZKOLBUHRCLKIS-UHFFFAOYSA-N 0 0 347.871 4.697 50 0 EJAARN CCC[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NC(C)C ZINC000002326526 209841709 /nfs/dbraw/zinc/84/17/09/209841709.db2.gz RIPALYDKMCHMGD-XBCQCDMNSA-N 0 0 333.475 4.835 50 0 EJAARN Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(C)cc2C)cc1 ZINC000002217155 209830906 /nfs/dbraw/zinc/83/09/06/209830906.db2.gz ZBFYLYJECRITEU-UHFFFAOYSA-N 0 0 340.426 4.978 50 0 EJAARN CCc1ccccc1NC(=O)[C@@H]1[C@H](c2ccccc2)C1(Cl)Cl ZINC000002188550 209828182 /nfs/dbraw/zinc/82/81/82/209828182.db2.gz QQAFPMSTDLZFFD-HOTGVXAUSA-N 0 0 334.246 4.775 50 0 EJAARN Clc1ccc(CSc2nnc3sc4ccccc4n23)s1 ZINC000068864177 215341045 /nfs/dbraw/zinc/34/10/45/215341045.db2.gz BNOJUPOWHRCVBW-UHFFFAOYSA-N 0 0 337.882 4.951 50 0 EJAARN CCc1ccccc1N1COc2c(C)c3oc(=O)cc(CC)c3cc2C1 ZINC000002114190 209820984 /nfs/dbraw/zinc/82/09/84/209820984.db2.gz COEFTCDEJFCBJJ-UHFFFAOYSA-N 0 0 349.430 4.583 50 0 biogenic EJAARN Cc1ccc(SCCOc2ccc3c(C)cc(=O)oc3c2)cc1 ZINC000002093817 209819448 /nfs/dbraw/zinc/81/94/48/209819448.db2.gz VCQVBHMDWYBDPU-UHFFFAOYSA-N 0 0 326.417 4.581 50 0 biogenic EJAARN O=[S@@](Cc1coc(-c2ccc(F)cc2)n1)Cc1ccccc1Cl ZINC000069350715 215385318 /nfs/dbraw/zinc/38/53/18/215385318.db2.gz IECFKMIRIZBEJL-QHCPKHFHSA-N 0 0 349.814 4.583 50 0 EJAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000069367206 215389263 /nfs/dbraw/zinc/38/92/63/215389263.db2.gz RTFSWXFWMBEBQZ-INIZCTEOSA-N 0 0 348.450 4.714 50 0 EJAARN O=c1oc2cc(OC/C=C/c3ccccc3)ccc2c2c1CCCC2 ZINC000001797616 209795388 /nfs/dbraw/zinc/79/53/88/209795388.db2.gz DNAMVJBWOFCAOF-RMKNXTFCSA-N 0 0 332.399 4.764 50 0 EJAARN O=C1C[C@@H](c2ccsc2)c2ncn(-c3ccccc3Cl)c2N1 ZINC000040266447 213284650 /nfs/dbraw/zinc/28/46/50/213284650.db2.gz YTXUTHARWTXLCB-NSHDSACASA-N 0 0 329.812 4.711 50 0 EJAARN C[C@H](c1ccccc1)n1c2ccccc2nc1[C@@H](O)c1ccccc1 ZINC000040224194 213282935 /nfs/dbraw/zinc/28/29/35/213282935.db2.gz SKVSGFPMANFINY-IERDGZPVSA-N 0 0 328.415 4.727 50 0 EJAARN CCN(C(=O)c1ccc(Br)cc1F)c1cccc(C)c1 ZINC000040217791 213282501 /nfs/dbraw/zinc/28/25/01/213282501.db2.gz LPXADTIVAVSAJT-UHFFFAOYSA-N 0 0 336.204 4.563 50 0 EJAARN Cc1ccc2c(c1)-c1nc(C3CC3)nn1[C@@H](c1ccc(Cl)cc1)N2 ZINC000040156518 213275101 /nfs/dbraw/zinc/27/51/01/213275101.db2.gz QRMMWUVWLRFKKG-SFHVURJKSA-N 0 0 336.826 4.757 50 0 EJAARN C[C@@H](NC(=O)c1[nH]c2ccc(F)cc2c1Cl)c1ccc(F)cc1 ZINC000040144554 213272050 /nfs/dbraw/zinc/27/20/50/213272050.db2.gz TYUXNEMIYOJPHV-SECBINFHSA-N 0 0 334.753 4.591 50 0 EJAARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1scnc1Cl ZINC000040149088 213273019 /nfs/dbraw/zinc/27/30/19/213273019.db2.gz VISDTGAKMSZNGM-UHFFFAOYSA-N 0 0 344.823 4.628 50 0 EJAARN O=C(Nc1ccc(OC(F)F)cc1)c1[nH]c2ccccc2c1Cl ZINC000040143542 213272453 /nfs/dbraw/zinc/27/24/53/213272453.db2.gz HDHLNVKQWJKAIU-UHFFFAOYSA-N 0 0 336.725 4.675 50 0 EJAARN CCCc1noc2nc(C3CC3)cc(C(=O)N(CC)c3ccccc3)c12 ZINC000040122165 213270154 /nfs/dbraw/zinc/27/01/54/213270154.db2.gz URENNNSSAQSBER-UHFFFAOYSA-N 0 0 349.434 4.719 50 0 EJAARN CCOCCCC(=O)Nc1ccccc1Oc1ccccc1Cl ZINC000040131934 213269759 /nfs/dbraw/zinc/26/97/59/213269759.db2.gz AUAOHSMQZBFOCK-UHFFFAOYSA-N 0 0 333.815 4.888 50 0 EJAARN Cc1cccc2c(=O)[nH]c(C(Cl)=Cc3cc(F)ccc3F)nc12 ZINC000040139797 213271047 /nfs/dbraw/zinc/27/10/47/213271047.db2.gz YEDQRAVQQNWUPE-JYRVWZFOSA-N 0 0 332.737 4.659 50 0 EJAARN CSc1ncccc1C(=O)Nc1ccccc1N(C)c1ccccc1 ZINC000040114471 213268251 /nfs/dbraw/zinc/26/82/51/213268251.db2.gz ZRTOEQUCOUEMPN-UHFFFAOYSA-N 0 0 349.459 4.824 50 0 EJAARN CC(C)C(=O)Nc1ccc(NC(=O)NC2CCCCCCC2)cc1 ZINC000040104018 213264965 /nfs/dbraw/zinc/26/49/65/213264965.db2.gz GKCDTNHMWLRMJW-UHFFFAOYSA-N 0 0 331.460 4.516 50 0 EJAARN CCOc1ccccc1NC(=O)N(CC)Cc1ccc(Cl)s1 ZINC000040098764 213264652 /nfs/dbraw/zinc/26/46/52/213264652.db2.gz CLCNIIMTRODORT-UHFFFAOYSA-N 0 0 338.860 4.854 50 0 EJAARN CC[C@@H](C)C(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C ZINC000040105192 213264671 /nfs/dbraw/zinc/26/46/71/213264671.db2.gz CHTMXDOKQMSDOM-CYBMUJFWSA-N 0 0 325.412 4.624 50 0 EJAARN CCOc1ccc(NC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)cc1 ZINC000040095527 213264132 /nfs/dbraw/zinc/26/41/32/213264132.db2.gz WZSYVDHILSDEKR-CYBMUJFWSA-N 0 0 332.831 4.964 50 0 EJAARN O=C(CCCc1cccs1)Nc1cccnc1Oc1ccccc1 ZINC000040087997 213260686 /nfs/dbraw/zinc/26/06/86/213260686.db2.gz MSRACQMKTFTWAY-UHFFFAOYSA-N 0 0 338.432 4.897 50 0 EJAARN COc1ccc(N[C@@H](C)c2nc3ccccc3n2C(F)F)c(OC)c1 ZINC000040086334 213259817 /nfs/dbraw/zinc/25/98/17/213259817.db2.gz YZDNSKWSHIKLKF-NSHDSACASA-N 0 0 347.365 4.622 50 0 EJAARN COc1ccccc1NC(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C ZINC000040074773 213259174 /nfs/dbraw/zinc/25/91/74/213259174.db2.gz OFYPQXXCUKGPQV-INIZCTEOSA-N 0 0 348.446 4.975 50 0 EJAARN c1csc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)c1 ZINC000019325006 202003737 /nfs/dbraw/zinc/00/37/37/202003737.db2.gz DDJYEIZZRVNZCH-UHFFFAOYSA-N 0 0 334.488 4.765 50 0 EJAARN CCOc1ccc([C@H](NC(=O)c2cccs2)c2ccccc2)cc1 ZINC000040089220 213261521 /nfs/dbraw/zinc/26/15/21/213261521.db2.gz COMRQUKLCPLYHK-LJQANCHMSA-N 0 0 337.444 4.666 50 0 EJAARN COc1cccc(/C=C/C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c1 ZINC000040056975 213255226 /nfs/dbraw/zinc/25/52/26/213255226.db2.gz GPSBPOPBZDEJDD-RUMSDORHSA-N 0 0 335.403 4.674 50 0 EJAARN COc1ccccc1[C@@H](C)N(C)C(=O)CCc1ccccc1Cl ZINC000040069865 213257996 /nfs/dbraw/zinc/25/79/96/213257996.db2.gz XYMSICDDTJNGIP-CQSZACIVSA-N 0 0 331.843 4.501 50 0 EJAARN CCCCCOc1ccc(C(=O)Nc2ccc(Cl)c(N)c2)cc1 ZINC000019736506 202016615 /nfs/dbraw/zinc/01/66/15/202016615.db2.gz XDRXHBYEUGQUTP-UHFFFAOYSA-N 0 0 332.831 4.744 50 0 EJAARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Cl)c(N)c1 ZINC000019736540 202016617 /nfs/dbraw/zinc/01/66/17/202016617.db2.gz WAEGDHOLAIYUFJ-GFCCVEGCSA-N 0 0 346.858 4.626 50 0 EJAARN COc1ccc(NC(=O)c2ccc(OCc3cccs3)cc2)cc1 ZINC000040073362 213257443 /nfs/dbraw/zinc/25/74/43/213257443.db2.gz WCMFITVVQKMNMI-UHFFFAOYSA-N 0 0 339.416 4.588 50 0 EJAARN COc1cccc(NC[C@H](C)Oc2ccc(Cl)cc2Cl)c1 ZINC000019737873 202018047 /nfs/dbraw/zinc/01/80/47/202018047.db2.gz KRHDEYIVUSJLLT-NSHDSACASA-N 0 0 326.223 4.881 50 0 EJAARN Cc1c2cccc(F)c2oc1C(=O)NCC1(c2ccccc2)CCC1 ZINC000040033927 213253046 /nfs/dbraw/zinc/25/30/46/213253046.db2.gz JVWBKRUPASNZJJ-UHFFFAOYSA-N 0 0 337.394 4.732 50 0 EJAARN COc1ccc(OCCNc2ccccc2OCc2ccccc2)cc1 ZINC000019738497 202018252 /nfs/dbraw/zinc/01/82/52/202018252.db2.gz CHROKGPWNVQGRM-UHFFFAOYSA-N 0 0 349.430 4.765 50 0 EJAARN Cc1cc(NC(=O)[C@@H](C)SCCC23CC4CC(CC(C4)C2)C3)no1 ZINC000040018146 213251573 /nfs/dbraw/zinc/25/15/73/213251573.db2.gz GSXNMZHOFRFCKZ-PGBRGIIUSA-N 0 0 348.512 4.650 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C[C@H](c1ccccc1)N(C)C(=O)c1ncc(Cl)c(Cl)c1Cl ZINC000036728950 213114409 /nfs/dbraw/zinc/11/44/09/213114409.db2.gz MRDIYJMXORNPKJ-SECBINFHSA-N 0 0 343.641 4.875 50 0 EJAARN COc1ccccc1/C=C/C(=O)NC(c1ccccc1)c1ccccc1 ZINC000000450891 209608649 /nfs/dbraw/zinc/60/86/49/209608649.db2.gz WYOHGSHGEKYMTE-WUKNDPDISA-N 0 0 343.426 4.614 50 0 EJAARN Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccc(C)cn1 ZINC000036646407 213107569 /nfs/dbraw/zinc/10/75/69/213107569.db2.gz TULDZCDDNZYQSO-UHFFFAOYSA-N 0 0 326.783 4.864 50 0 EJAARN CCOc1ccc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000036621139 213104539 /nfs/dbraw/zinc/10/45/39/213104539.db2.gz FJPRJFAUMBJLKW-SFHVURJKSA-N 0 0 328.387 4.593 50 0 EJAARN Cc1ccc(-c2noc3nc(C)cc(C(=O)Nc4ccccc4)c32)cc1 ZINC000036618458 213104238 /nfs/dbraw/zinc/10/42/38/213104238.db2.gz CKTCAZOVLBXLLX-UHFFFAOYSA-N 0 0 343.386 4.759 50 0 EJAARN Cc1cc(=O)oc2cc3occ(-c4ccc5c(c4)OCCCO5)c3cc12 ZINC000036369888 213092056 /nfs/dbraw/zinc/09/20/56/213092056.db2.gz UQINBEKYHKSEDT-UHFFFAOYSA-N 0 0 348.354 4.676 50 0 biogenic EJAARN O=C(Nc1cccc2ccccc21)c1snnc1-c1ccccc1 ZINC000036365474 213090697 /nfs/dbraw/zinc/09/06/97/213090697.db2.gz QFGYIAORPQQPPL-UHFFFAOYSA-N 0 0 331.400 4.611 50 0 EJAARN Cc1ccc2nc(-c3cccc(NC(=O)Cc4ccccc4)c3)oc2c1 ZINC000000444574 209604316 /nfs/dbraw/zinc/60/43/16/209604316.db2.gz XBJMWQMBFTVXPO-UHFFFAOYSA-N 0 0 342.398 4.984 50 0 EJAARN Cc1ccc(C)c(-c2cc(CN(C(=O)C3CCCC3)C(C)C)no2)c1 ZINC000036005608 213055627 /nfs/dbraw/zinc/05/56/27/213055627.db2.gz XSZROMXTGIBLKV-UHFFFAOYSA-N 0 0 340.467 4.886 50 0 EJAARN CCCN(Cc1cc(-c2cccs2)on1)C(=O)Nc1ccccc1 ZINC000036012718 213055419 /nfs/dbraw/zinc/05/54/19/213055419.db2.gz UUKDOWUGXQGPAO-UHFFFAOYSA-N 0 0 341.436 4.847 50 0 EJAARN CCCCc1nc2sc3c(c2c(N2CCCC2)n1)CC[C@@H](C)C3 ZINC000035892827 213051401 /nfs/dbraw/zinc/05/14/01/213051401.db2.gz UFFLFJYMMOORRE-CYBMUJFWSA-N 0 0 329.513 4.759 50 0 EJAARN COc1ccc(Cl)cc1C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000000435968 209599676 /nfs/dbraw/zinc/59/96/76/209599676.db2.gz KYBZJDCDFDUMGE-UHFFFAOYSA-N 0 0 337.806 4.853 50 0 EJAARN COc1ccccc1NC(=O)c1c(C)noc1-c1ccc(Cl)cc1 ZINC000035681738 213046075 /nfs/dbraw/zinc/04/60/75/213046075.db2.gz OFMFAUJZQQXIOD-UHFFFAOYSA-N 0 0 342.782 4.564 50 0 EJAARN O=S(=O)(Oc1cccc2ccccc21)c1ccc2ccccc2c1 ZINC000035685956 213045799 /nfs/dbraw/zinc/04/57/99/213045799.db2.gz QMCHKRGSPLWSPE-UHFFFAOYSA-N 0 0 334.396 4.761 50 0 EJAARN CCOc1ccccc1NC(=O)c1c(C)noc1-c1ccc(C)cc1 ZINC000035671956 213045377 /nfs/dbraw/zinc/04/53/77/213045377.db2.gz PCPJJRMBFZKZLC-UHFFFAOYSA-N 0 0 336.391 4.609 50 0 EJAARN Cc1cccc(-c2cc(C(=O)Nc3cccnc3)c3ccccc3n2)c1 ZINC000000433115 209598886 /nfs/dbraw/zinc/59/88/86/209598886.db2.gz QPDVMAMZHSAFDB-UHFFFAOYSA-N 0 0 339.398 4.858 50 0 EJAARN CCOC(=O)c1nc2cc(C)c(C)cc2nc1N[C@H](C)c1ccccc1 ZINC000035479390 213032794 /nfs/dbraw/zinc/03/27/94/213032794.db2.gz GPUVIPQAEUHPFL-OAHLLOKOSA-N 0 0 349.434 4.596 50 0 EJAARN Cc1onc(-c2cccc(F)c2)c1C(=O)Nc1ccc(F)cc1Cl ZINC000035536588 213036085 /nfs/dbraw/zinc/03/60/85/213036085.db2.gz IMXXKXVPNJBHBO-UHFFFAOYSA-N 0 0 348.736 4.834 50 0 EJAARN Cc1onc(-c2ccc(F)cc2F)c1C(=O)Nc1cccc(Cl)c1 ZINC000035536176 213036154 /nfs/dbraw/zinc/03/61/54/213036154.db2.gz FISBFWGBIRCHSL-UHFFFAOYSA-N 0 0 348.736 4.834 50 0 EJAARN CC(=O)Nc1ccc(OC(=O)c2ccccc2-c2ccccc2)cc1 ZINC000032426496 202224742 /nfs/dbraw/zinc/22/47/42/202224742.db2.gz WCGNZDZQDNRPCV-UHFFFAOYSA-N 0 0 331.371 4.531 50 0 EJAARN Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2Cl)c2cccnc12 ZINC000032459118 202225591 /nfs/dbraw/zinc/22/55/91/202225591.db2.gz PCUJIBGANSEVPU-ZDUSSCGKSA-N 0 0 340.810 4.603 50 0 EJAARN CCCn1cnc2cc(-c3noc(-c4ccccc4OCC)n3)ccc21 ZINC000035453629 213028190 /nfs/dbraw/zinc/02/81/90/213028190.db2.gz KTZMOBKSAVKPNJ-UHFFFAOYSA-N 0 0 348.406 4.562 50 0 EJAARN CCOC(=O)c1nc2cc(C)c(C)cc2nc1N[C@@H](C)c1ccccc1 ZINC000035479388 213032411 /nfs/dbraw/zinc/03/24/11/213032411.db2.gz GPUVIPQAEUHPFL-HNNXBMFYSA-N 0 0 349.434 4.596 50 0 EJAARN COc1cccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000035476472 213031342 /nfs/dbraw/zinc/03/13/42/213031342.db2.gz QEGFSBCTMRIRPQ-KRWDZBQOSA-N 0 0 330.815 4.718 50 0 EJAARN O=C(c1cc2ccccc2o1)N(Cc1cccc2[nH]ccc21)C1CC1 ZINC000032106599 202221298 /nfs/dbraw/zinc/22/12/98/202221298.db2.gz OUCSPTMPBWBIAZ-UHFFFAOYSA-N 0 0 330.387 4.719 50 0 EJAARN CN1/C(=C\C(=O)Nc2ccc(Cl)cc2)c2ccccc2CC1(C)C ZINC000032116883 202221620 /nfs/dbraw/zinc/22/16/20/202221620.db2.gz LDCABCUQAIBQFL-PDGQHHTCSA-N 0 0 340.854 4.586 50 0 biogenic,in-vitro EJAARN Cn1cnc2cc(-c3noc(-c4ccc(Cl)c(Cl)c4)n3)ccc21 ZINC000035453325 213029494 /nfs/dbraw/zinc/02/94/94/213029494.db2.gz YGOUXGOJYGVJMX-UHFFFAOYSA-N 0 0 345.189 4.597 50 0 EJAARN Cc1ccc(-c2nc(CN(C)Cc3ccc(F)c(F)c3)co2)c(C)c1 ZINC000032760744 202233480 /nfs/dbraw/zinc/23/34/80/202233480.db2.gz VTTBONFJVZEZGK-UHFFFAOYSA-N 0 0 342.389 4.869 50 0 EJAARN O=C(Cc1ccc(-n2cccc2)cc1)Nc1ccc2ccccc2c1 ZINC000032817747 202236511 /nfs/dbraw/zinc/23/65/11/202236511.db2.gz NMKPKLAVNHVLDA-UHFFFAOYSA-N 0 0 326.399 4.812 50 0 EJAARN COCc1c2ccccc2oc1C(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000032841862 202237949 /nfs/dbraw/zinc/23/79/49/202237949.db2.gz GEAAQZBLDCTSAA-ZDUSSCGKSA-N 0 0 341.382 4.552 50 0 EJAARN CC(C)n1ncc2c1NC(=O)C[C@@H]2c1ccc(-c2ccccc2F)o1 ZINC000071282663 215752290 /nfs/dbraw/zinc/75/22/90/215752290.db2.gz ZDGNENHUXZUUET-ZDUSSCGKSA-N 0 0 339.370 4.987 50 0 EJAARN COc1ccc(C(=O)C[C@@H](c2ccccc2)[C@H]2CCCCC2=O)cc1 ZINC000000432113 209597693 /nfs/dbraw/zinc/59/76/93/209597693.db2.gz AEPJJSIKAPYQBL-UXHICEINSA-N 0 0 336.431 4.811 50 0 EJAARN O=C(COC(c1ccccc1)c1ccccc1)Nc1ccccc1F ZINC000032892446 202239276 /nfs/dbraw/zinc/23/92/76/202239276.db2.gz ZFMSCFNCFJEAKE-UHFFFAOYSA-N 0 0 335.378 4.570 50 0 EJAARN CCSc1nnc(SCc2cccc(Br)c2)s1 ZINC000032670066 202230529 /nfs/dbraw/zinc/23/05/29/202230529.db2.gz DYCOVBBNFFSCPR-UHFFFAOYSA-N 0 0 347.328 4.705 50 0 EJAARN Cc1ccc(-c2ocnc2C(=O)N[C@@H]2CCCc3ccccc32)s1 ZINC000033049138 202248766 /nfs/dbraw/zinc/24/87/66/202248766.db2.gz QMPQRGRSZNYZJW-OAHLLOKOSA-N 0 0 338.432 4.519 50 0 EJAARN Cc1cc2ccccc2n1CC(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000033216957 202252972 /nfs/dbraw/zinc/25/29/72/202252972.db2.gz FCVIZQPCBFQGFB-UHFFFAOYSA-N 0 0 347.418 4.853 50 0 EJAARN Cc1ccc(NC(=O)Nc2ccc(-c3noc(C4CCC4)n3)cc2)cc1 ZINC000033257304 202253686 /nfs/dbraw/zinc/25/36/86/202253686.db2.gz FONSPGNTMMBDGH-UHFFFAOYSA-N 0 0 348.406 4.957 50 0 EJAARN Fc1ccc(-c2nc(-c3ccc(N4CCCCC4)cc3)no2)cc1F ZINC000033255348 202253999 /nfs/dbraw/zinc/25/39/99/202253999.db2.gz LYFLEZAFQPAGLQ-UHFFFAOYSA-N 0 0 341.361 4.672 50 0 EJAARN CCc1onc(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(C)cc1Cl ZINC000033270609 202255431 /nfs/dbraw/zinc/25/54/31/202255431.db2.gz KZMSPYPFXFPHNZ-HNNXBMFYSA-N 0 0 347.846 4.876 50 0 EJAARN Cc1nc(-c2cc3ccc(C)cc3nc2NCc2ccc(F)cc2)no1 ZINC000033331473 202258025 /nfs/dbraw/zinc/25/80/25/202258025.db2.gz PTSNQEKMLQHJFH-UHFFFAOYSA-N 0 0 348.381 4.653 50 0 EJAARN O=C(OCc1ccccc1)c1ccc(F)cc1OCc1ccccc1 ZINC000035287403 213017863 /nfs/dbraw/zinc/01/78/63/213017863.db2.gz GOSCYMWPVHDXJI-UHFFFAOYSA-N 0 0 336.362 4.762 50 0 EJAARN CCOC(Cn1c(/C=C\c2ccccc2)nc2ccccc21)OCC ZINC000033442619 202261799 /nfs/dbraw/zinc/26/17/99/202261799.db2.gz GUVSUSHWJSWITJ-PFONDFGASA-N 0 0 336.435 4.606 50 0 EJAARN CCc1[nH]nc(-c2ccc(C(C)(C)C)cc2)c1NC(=O)C(C)(C)C ZINC000034795749 212988999 /nfs/dbraw/zinc/98/89/99/212988999.db2.gz JFCAJCNXOCVYSN-UHFFFAOYSA-N 0 0 327.472 4.921 50 0 EJAARN CCc1[nH]nc(-c2ccc(C)cc2C)c1NC(=O)c1ccccc1OC ZINC000034794813 212987324 /nfs/dbraw/zinc/98/73/24/212987324.db2.gz FPMCXZWZGRPQBL-UHFFFAOYSA-N 0 0 349.434 4.517 50 0 EJAARN Cc1cc2c(cc(C(=O)N3CCCC3)n2[C@H](C)c2ccccc2)s1 ZINC000034680282 212982091 /nfs/dbraw/zinc/98/20/91/212982091.db2.gz FXYOHBLKJCFWNS-OAHLLOKOSA-N 0 0 338.476 4.857 50 0 EJAARN CC[C@H](c1ccncc1)n1ccnc1-c1c(F)ccc(Cl)c1F ZINC000071765279 215820236 /nfs/dbraw/zinc/82/02/36/215820236.db2.gz MAIHZTMNKMUIIW-CQSZACIVSA-N 0 0 333.769 4.876 50 0 EJAARN C[C@H]1N(C)c2cc(NC(=O)/C=C\c3ccc(F)cc3)ccc2C1(C)C ZINC000033498574 212943469 /nfs/dbraw/zinc/94/34/69/212943469.db2.gz DNNFOJSNIWQBTN-YRBHFNIASA-N 0 0 338.426 4.594 50 0 EJAARN Cc1cccc(-n2ncc3c2ncnc3Nc2ccc(C(C)C)cc2)c1 ZINC000000426477 209590207 /nfs/dbraw/zinc/59/02/07/209590207.db2.gz YHNSMJQWIJVKAC-UHFFFAOYSA-N 0 0 343.434 4.991 50 0 EJAARN Cc1nc(-c2cc3cccc(C)c3nc2NCc2ccc(C)cc2)no1 ZINC000033331509 212929022 /nfs/dbraw/zinc/92/90/22/212929022.db2.gz RTDCMQDSDKOKMZ-UHFFFAOYSA-N 0 0 344.418 4.822 50 0 EJAARN O=C(/C=C\c1ccccc1)Nc1ccc(C(=O)c2ccccc2)cc1 ZINC000033320065 212925071 /nfs/dbraw/zinc/92/50/71/212925071.db2.gz WOERWODKMVTPTF-WJDWOHSUSA-N 0 0 327.383 4.570 50 0 EJAARN CCC[C@H](O)c1nc2ccccc2n1CCOc1cccc(C)c1C ZINC000033317720 212923808 /nfs/dbraw/zinc/92/38/08/212923808.db2.gz SEZJDPNTBWKFFD-IBGZPJMESA-N 0 0 338.451 4.566 50 0 EJAARN CCCOC(=O)c1cnc2nc(C)ccc2c1Nc1cccc(C)c1 ZINC000033292579 212918444 /nfs/dbraw/zinc/91/84/44/212918444.db2.gz YEGYNIWSQDVLLW-UHFFFAOYSA-N 0 0 335.407 4.557 50 0 EJAARN CC(=O)c1ccc(NC(=O)C=Cc2c(Cl)cccc2Cl)cc1 ZINC000033289646 212917275 /nfs/dbraw/zinc/91/72/75/212917275.db2.gz DUOQXWOEKUGNGR-KTKRTIGZSA-N 0 0 334.202 4.848 50 0 EJAARN O=C1CS[C@@H](c2ccc(Cl)cc2Cl)N1c1ccc(F)cc1 ZINC000000423863 209587467 /nfs/dbraw/zinc/58/74/67/209587467.db2.gz BPHUCTYBRVDPGG-HNNXBMFYSA-N 0 0 342.222 4.911 50 0 EJAARN O=C(Nc1ccccc1F)c1cnc(N2CCCCC2)c2ccccc12 ZINC000033073114 212895255 /nfs/dbraw/zinc/89/52/55/212895255.db2.gz VRUAOPNJRZMAGG-UHFFFAOYSA-N 0 0 349.409 4.617 50 0 EJAARN O=C(c1ccc(Sc2ccc3ccccc3c2)nc1)N1CCCC1 ZINC000032829037 212852675 /nfs/dbraw/zinc/85/26/75/212852675.db2.gz FCAWAOIBNKFYIO-UHFFFAOYSA-N 0 0 334.444 4.622 50 0 EJAARN CCOc1cccc2cc([C@@H](C)NC(=O)Nc3ccccc3F)oc21 ZINC000032751225 212834225 /nfs/dbraw/zinc/83/42/25/212834225.db2.gz AQHVJODKHPLBFW-GFCCVEGCSA-N 0 0 342.370 4.853 50 0 EJAARN CCN(C(=O)c1cccc(NC(=O)C(C)(C)C)c1)c1ccccc1C ZINC000032753829 212833983 /nfs/dbraw/zinc/83/39/83/212833983.db2.gz NPUFWEMNOAXLEL-UHFFFAOYSA-N 0 0 338.451 4.646 50 0 EJAARN Cc1ccn2c(c1)nc(-c1ccccc1)c2NC(=O)[C@H]1CC=CCC1 ZINC000032721471 212829720 /nfs/dbraw/zinc/82/97/20/212829720.db2.gz VHBVSDGJZDRGQJ-KRWDZBQOSA-N 0 0 331.419 4.605 50 0 EJAARN CCC(CC)C(=O)Nc1ccccc1-c1nc(-c2ccccc2)no1 ZINC000032622131 212819801 /nfs/dbraw/zinc/81/98/01/212819801.db2.gz CKXREWNEPITSGA-UHFFFAOYSA-N 0 0 335.407 4.778 50 0 EJAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(-c2ccc(F)cc2)nc1 ZINC000035514776 213035060 /nfs/dbraw/zinc/03/50/60/213035060.db2.gz ZIQDXXULVSAWND-OAQYLSRUSA-N 0 0 346.405 4.695 50 0 EJAARN Cc1cc(C)cc(NC(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)c1 ZINC000072115658 216011226 /nfs/dbraw/zinc/01/12/26/216011226.db2.gz YYCHEKJKJKACPT-UHFFFAOYSA-N 0 0 348.406 4.838 50 0 EJAARN Cc1c2ccccc2sc1-c1csc(N2CCSCC2)n1 ZINC000072078646 216004084 /nfs/dbraw/zinc/00/40/84/216004084.db2.gz BDFBSQAPQYIVKJ-UHFFFAOYSA-N 0 0 332.519 4.886 50 0 EJAARN Cc1ccc(F)cc1-c1cc(NCc2ccccn2)nc2[nH]ccc21 ZINC000072128950 216019826 /nfs/dbraw/zinc/01/98/26/216019826.db2.gz ZAWHPQOWYQXQLQ-UHFFFAOYSA-N 0 0 332.382 4.685 50 0 EJAARN CCc1cccc(NC(=O)Nc2ccc(Nc3ccc(C)nn3)cc2)c1 ZINC000072139997 216025667 /nfs/dbraw/zinc/02/56/67/216025667.db2.gz WQJNNPHFYYGSRP-UHFFFAOYSA-N 0 0 347.422 4.735 50 0 EJAARN Cc1csc(N(C(=O)/C=C\c2cccs2)c2ccccc2)n1 ZINC000033530378 202267178 /nfs/dbraw/zinc/26/71/78/202267178.db2.gz XYDLDLVLAFHSBJ-KTKRTIGZSA-N 0 0 326.446 4.891 50 0 EJAARN Cc1cccc(NC(=O)c2cc3ccccc3n2Cc2ccccc2)n1 ZINC000034620859 202273660 /nfs/dbraw/zinc/27/36/60/202273660.db2.gz LHYXEZARUASGKU-UHFFFAOYSA-N 0 0 341.414 4.645 50 0 EJAARN Cc1ccc(-c2n[nH]c(C3CC3)c2NC(=O)c2ccccc2)c(C)c1 ZINC000034794823 202275978 /nfs/dbraw/zinc/27/59/78/202275978.db2.gz URNWGPLPVQIRLG-UHFFFAOYSA-N 0 0 331.419 4.823 50 0 EJAARN COc1cccc(-c2n[nH]c(CC(C)C)c2NC(=O)c2ccccc2)c1 ZINC000034796182 202277954 /nfs/dbraw/zinc/27/79/54/202277954.db2.gz BSEKXVPULLCSKE-UHFFFAOYSA-N 0 0 349.434 4.536 50 0 EJAARN Cc1ccc(NC(=O)c2cc(-c3c(C)cc(C)cc3C)n(C)n2)cc1 ZINC000034901520 202279979 /nfs/dbraw/zinc/27/99/79/202279979.db2.gz NINLOPGTJQRHCG-UHFFFAOYSA-N 0 0 333.435 4.573 50 0 EJAARN Cc1ccsc1C(=O)Nc1ccn(-c2ccc(C(C)C)cc2)n1 ZINC000034909342 202280591 /nfs/dbraw/zinc/28/05/91/202280591.db2.gz ZKTSTWXZOWHZSD-UHFFFAOYSA-N 0 0 325.437 4.618 50 0 EJAARN CCCCC(=O)Nc1c(-c2ccccc2F)nc2ccc(C)cn21 ZINC000034913037 202281095 /nfs/dbraw/zinc/28/10/95/202281095.db2.gz JGGXBTDSFGNQEI-UHFFFAOYSA-N 0 0 325.387 4.578 50 0 EJAARN CCn1cnc2cc(-c3noc(-c4ccc(F)c(Cl)c4)n3)ccc21 ZINC000035453538 202303569 /nfs/dbraw/zinc/30/35/69/202303569.db2.gz VUFWYXMLEBUAPA-UHFFFAOYSA-N 0 0 342.761 4.566 50 0 EJAARN COc1cc(-c2cccc(Cl)c2)nc2ccc(NC(C)=O)cc21 ZINC000035536970 202306142 /nfs/dbraw/zinc/30/61/42/202306142.db2.gz YVQATIUGACTEPD-UHFFFAOYSA-N 0 0 326.783 4.522 50 0 EJAARN CCCc1cc([C@H]2CCCN2C(=O)Nc2cccc(Cl)c2)no1 ZINC000035511338 202306319 /nfs/dbraw/zinc/30/63/19/202306319.db2.gz LOKFDLKNRADKOV-MRXNPFEDSA-N 0 0 333.819 4.650 50 0 EJAARN Cc1sc(-c2noc(C3CC3)n2)cc1NC(=O)c1ccc(C)cc1 ZINC000035554969 202306827 /nfs/dbraw/zinc/30/68/27/202306827.db2.gz DROMQFXWEMVQDO-UHFFFAOYSA-N 0 0 339.420 4.545 50 0 EJAARN Cc1cccc([C@H]2CCCCCN2C(=O)NCc2ccc(F)cc2)c1 ZINC000035561810 202307107 /nfs/dbraw/zinc/30/71/07/202307107.db2.gz VYQDYMRMJHJZII-HXUWFJFHSA-N 0 0 340.442 4.961 50 0 EJAARN COc1cccc(NC(=O)c2c(C)noc2-c2ccc(Cl)cc2)c1 ZINC000035681745 202308182 /nfs/dbraw/zinc/30/81/82/202308182.db2.gz DEJDSJKPJVUCHR-UHFFFAOYSA-N 0 0 342.782 4.564 50 0 EJAARN CCc1ccc(NC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)cc1 ZINC000072238578 216077688 /nfs/dbraw/zinc/07/76/88/216077688.db2.gz SCENYDFWGLDFNN-UHFFFAOYSA-N 0 0 341.794 4.570 50 0 EJAARN Cc1nc(C)c(CC(=O)Nc2ccc(Oc3ccccc3)cc2)s1 ZINC000036360586 202323843 /nfs/dbraw/zinc/32/38/43/202323843.db2.gz UOVMSXOCCUVKSE-UHFFFAOYSA-N 0 0 338.432 4.733 50 0 EJAARN CCOc1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2F)cc1 ZINC000036620882 202326990 /nfs/dbraw/zinc/32/69/90/202326990.db2.gz JTWSJHWRKFUVLM-GOSISDBHSA-N 0 0 328.387 4.593 50 0 EJAARN Cc1nc(NC(=O)c2ccc(Oc3ccc(C)cc3)o2)sc1C ZINC000072260085 216086175 /nfs/dbraw/zinc/08/61/75/216086175.db2.gz QINPCESGRWLEAU-UHFFFAOYSA-N 0 0 328.393 4.706 50 0 EJAARN CC(C)c1ccc(CNc2ccc(CC(=O)N3CCCC3)cc2)cc1 ZINC000037554715 202346223 /nfs/dbraw/zinc/34/62/23/202346223.db2.gz YYBILYGNOYFRDP-UHFFFAOYSA-N 0 0 336.479 4.587 50 0 EJAARN Cc1c(C)c2ccc(OCc3c(F)cccc3Cl)cc2oc1=O ZINC000000407779 209572259 /nfs/dbraw/zinc/57/22/59/209572259.db2.gz UNIYVBHWKBBWEQ-UHFFFAOYSA-N 0 0 332.758 4.781 50 0 EJAARN COc1ccc(Cl)cc1NC(=O)Oc1ccc(SC)c(C)c1 ZINC000000399719 209570106 /nfs/dbraw/zinc/57/01/06/209570106.db2.gz OBCIBBVJJMBTLV-UHFFFAOYSA-N 0 0 337.828 4.990 50 0 EJAARN CCN(C(=O)Nc1cc(OC)ccc1OC)c1ccc(C)c(Cl)c1 ZINC000000401855 209569799 /nfs/dbraw/zinc/56/97/99/209569799.db2.gz ROZFYBSFIHUUDD-UHFFFAOYSA-N 0 0 348.830 4.724 50 0 EJAARN COc1ccc([C@H](CC(=O)c2ccccc2)[C@H]2CCCCC2=O)cc1 ZINC000000401104 209569484 /nfs/dbraw/zinc/56/94/84/209569484.db2.gz ZHCIBQAOOXEWGW-UXHICEINSA-N 0 0 336.431 4.811 50 0 EJAARN c1ccc(Cn2nc3c(c2-c2ccncc2)CCc2ccccc2-3)cc1 ZINC000000399000 209568590 /nfs/dbraw/zinc/56/85/90/209568590.db2.gz HTZLOOMZQYGHCY-UHFFFAOYSA-N 0 0 337.426 4.759 50 0 EJAARN O=C(Oc1ccccc1-c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000000373791 209557156 /nfs/dbraw/zinc/55/71/56/209557156.db2.gz VXAVCUJQJLUKJL-UHFFFAOYSA-N 0 0 342.354 4.623 50 0 EJAARN Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C)cc3)c2)cc1 ZINC000000369369 209555863 /nfs/dbraw/zinc/55/58/63/209555863.db2.gz VKXJSYZSAXAZSB-UHFFFAOYSA-N 0 0 344.414 4.808 50 0 EJAARN COc1ccc(OC(=O)c2sc3cc(OC)ccc3c2Cl)cc1 ZINC000000359006 209549780 /nfs/dbraw/zinc/54/97/80/209549780.db2.gz MFDRSYLLHQNLDT-UHFFFAOYSA-N 0 0 348.807 4.791 50 0 EJAARN Cc1ccc(C(=O)NCc2cccc(COCc3ccco3)c2)cc1C ZINC000040089373 202422353 /nfs/dbraw/zinc/42/23/53/202422353.db2.gz DWRPEISZITUMCK-UHFFFAOYSA-N 0 0 349.430 4.543 50 0 EJAARN C[C@H](Sc1nnc(C2CC2)n1Cc1ccco1)c1ccc(F)cc1 ZINC000040159136 202426728 /nfs/dbraw/zinc/42/67/28/202426728.db2.gz SOQPUHFVSWVLGO-LBPRGKRZSA-N 0 0 343.427 4.789 50 0 EJAARN CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)c1ccc2ccccc2c1 ZINC000040150203 202427608 /nfs/dbraw/zinc/42/76/08/202427608.db2.gz CSJOWRSQPZWYQG-IBGZPJMESA-N 0 0 347.462 4.599 50 0 EJAARN Cc1ccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)cc1 ZINC000000348651 209544072 /nfs/dbraw/zinc/54/40/72/209544072.db2.gz JKSZFINGGMQNNL-UHFFFAOYSA-N 0 0 335.403 4.638 50 0 EJAARN CCOc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)c2ccccc12 ZINC000000334636 209540733 /nfs/dbraw/zinc/54/07/33/209540733.db2.gz BBTGISQAWWSZBD-RGEXLXHISA-N 0 0 343.382 4.583 50 0 EJAARN O=C(Nc1cc(Cl)ccc1O)C(c1ccccc1)c1ccccc1 ZINC000000313340 209531203 /nfs/dbraw/zinc/53/12/03/209531203.db2.gz XBAOBWXDXRQZLC-UHFFFAOYSA-N 0 0 337.806 4.816 50 0 EJAARN O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccccc1 ZINC000000262081 209508722 /nfs/dbraw/zinc/50/87/22/209508722.db2.gz CLMYITQBZRLJIH-UHFFFAOYSA-N 0 0 326.248 4.865 50 0 EJAARN O=C(NCc1ccccc1C(F)(F)F)c1cc(Cl)ccc1Cl ZINC000072331634 216155519 /nfs/dbraw/zinc/15/55/19/216155519.db2.gz VKEWJLNZWXFTTM-UHFFFAOYSA-N 0 0 348.151 4.942 50 0 EJAARN CCc1ccc(NC(=O)CCn2c3ccccc3oc2=S)cc1 ZINC000000224670 209495394 /nfs/dbraw/zinc/49/53/94/209495394.db2.gz GLRXGEOHYWNBBI-UHFFFAOYSA-N 0 0 326.421 4.555 50 0 biogenic EJAARN O=c1oc(-c2ccccc2)nc2c1C1(CCCC1)Cc1ccccc1-2 ZINC000000207006 209484968 /nfs/dbraw/zinc/48/49/68/209484968.db2.gz LDLRPEXVIWLUEH-UHFFFAOYSA-N 0 0 329.399 4.737 50 0 biogenic EJAARN COc1ccc2c(c1)oc(C(F)(F)F)c(Oc1ccccc1)c2=O ZINC000000189799 209472499 /nfs/dbraw/zinc/47/24/99/209472499.db2.gz JILUHHJIYWCZAF-UHFFFAOYSA-N 0 0 336.265 4.613 50 0 biogenic EJAARN O=C(CSc1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1F ZINC000000172896 209462759 /nfs/dbraw/zinc/46/27/59/209462759.db2.gz JVCWJINNUHFQTR-UHFFFAOYSA-N 0 0 347.308 4.714 50 0 EJAARN CCOc1ccc2nc(NC(=O)c3ccc(Cl)s3)sc2c1 ZINC000000179102 209467910 /nfs/dbraw/zinc/46/79/10/209467910.db2.gz WYBAQCPIMOXNFH-UHFFFAOYSA-N 0 0 338.841 4.662 50 0 EJAARN Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)cc1)SC(C)=N2 ZINC000072406391 216197329 /nfs/dbraw/zinc/19/73/29/216197329.db2.gz WJFWIVPXRLWTCH-LJQANCHMSA-N 0 0 349.459 4.832 50 0 EJAARN CC(C)Oc1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1 ZINC000000144455 209447508 /nfs/dbraw/zinc/44/75/08/209447508.db2.gz UZRDOAUTVRTWET-UHFFFAOYSA-N 0 0 327.424 4.615 50 0 EJAARN Cc1cccc(C(C)C)c1NC(=O)c1cncc(Br)c1 ZINC000000140405 209445920 /nfs/dbraw/zinc/44/59/20/209445920.db2.gz VNKTVRGCEZLOOQ-UHFFFAOYSA-N 0 0 333.229 4.528 50 0 EJAARN Clc1cccc(-c2nc3ccccc3c(NCc3cccnc3)n2)c1 ZINC000000149812 209453854 /nfs/dbraw/zinc/45/38/54/209453854.db2.gz OFTMIYIWFUKDSK-UHFFFAOYSA-N 0 0 346.821 4.957 50 0 EJAARN O=C(NCc1csc(-c2cccs2)n1)Nc1cccc(Cl)c1 ZINC000000131599 209440287 /nfs/dbraw/zinc/44/02/87/209440287.db2.gz ZGNCERZWDFVUNM-UHFFFAOYSA-N 0 0 349.868 4.847 50 0 EJAARN COc1ccc(-c2nc(-c3c[nH]c4ccccc43)cs2)cc1OC ZINC000000103920 209422608 /nfs/dbraw/zinc/42/26/08/209422608.db2.gz SNNQZGNFWUQBKK-UHFFFAOYSA-N 0 0 336.416 4.976 50 0 EJAARN O=C(NCCC1=CCCCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000000103419 209421543 /nfs/dbraw/zinc/42/15/43/209421543.db2.gz ZTTDCYDDUGNZAM-UHFFFAOYSA-N 0 0 328.334 4.597 50 0 EJAARN Cc1ccc(C)c(NC(=O)CSc2nc3ccccc3s2)c1 ZINC000000097873 209419209 /nfs/dbraw/zinc/41/92/09/209419209.db2.gz XTZPSYDGMDUSEE-UHFFFAOYSA-N 0 0 328.462 4.644 50 0 EJAARN COc1ccc(OC)c(NC(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000000082274 209408685 /nfs/dbraw/zinc/40/86/85/209408685.db2.gz FTTHOQBHSJIODB-UHFFFAOYSA-N 0 0 341.194 4.655 50 0 EJAARN Clc1c(CSc2nc3ccccc3s2)nc2ccccn21 ZINC000000083729 209408037 /nfs/dbraw/zinc/40/80/37/209408037.db2.gz DHZIVSSOTJFICN-UHFFFAOYSA-N 0 0 331.853 4.890 50 0 EJAARN CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCCC2 ZINC000000064693 209396858 /nfs/dbraw/zinc/39/68/58/209396858.db2.gz YSOAQHFSLOASSQ-UHFFFAOYSA-N 0 0 349.477 4.508 50 0 EJAARN CCOc1ccc2nc(SCC(=O)c3ccc(F)cc3)sc2c1 ZINC000000063632 209395919 /nfs/dbraw/zinc/39/59/19/209395919.db2.gz MOQYQAIFILULLI-UHFFFAOYSA-N 0 0 347.436 4.809 50 0 EJAARN Cc1ccc2nc(-c3ccc(NC(=O)c4cccnc4)cc3)sc2c1 ZINC000000063384 209395760 /nfs/dbraw/zinc/39/57/60/209395760.db2.gz NSWIVPBSYOFHRV-UHFFFAOYSA-N 0 0 345.427 4.919 50 0 EJAARN Cc1ccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1 ZINC000000060417 209394720 /nfs/dbraw/zinc/39/47/20/209394720.db2.gz VCDBBCSWFONGGK-NVNXTCNLSA-N 0 0 332.186 4.646 50 0 EJAARN COc1ccc(C)cc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000000058502 209394519 /nfs/dbraw/zinc/39/45/19/209394519.db2.gz ALCFMFRKTFMVMC-UHFFFAOYSA-N 0 0 331.415 4.774 50 0 EJAARN O=C1OC(c2ccccc2)=N/C1=C\c1ccc(-c2ccccc2)cc1 ZINC000000059999 209394217 /nfs/dbraw/zinc/39/42/17/209394217.db2.gz ZDMSZLZFVXBKDU-HKWRFOASSA-N 0 0 325.367 4.698 50 0 EJAARN Cc1cccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000000054637 209392650 /nfs/dbraw/zinc/39/26/50/209392650.db2.gz WWBJGWFZEVFXCW-UHFFFAOYSA-N 0 0 333.387 4.805 50 0 EJAARN O=C(Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)c1ccccc1 ZINC000000045143 209388372 /nfs/dbraw/zinc/38/83/72/209388372.db2.gz UYQWSXYHSUHDDR-UHFFFAOYSA-N 0 0 342.350 4.679 50 0 biogenic EJAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1cccc(Cl)c1 ZINC000000043017 209386423 /nfs/dbraw/zinc/38/64/23/209386423.db2.gz ZFOFLOAEWREDNC-UHFFFAOYSA-N 0 0 346.217 4.740 50 0 EJAARN Cc1cccc2cc(CN(C)Cc3ccno3)c(-c3cccs3)nc12 ZINC000072475031 216252932 /nfs/dbraw/zinc/25/29/32/216252932.db2.gz DREYYFZUARSOCZ-UHFFFAOYSA-N 0 0 349.459 4.892 50 0 EJAARN O=C(c1ccccc1Cl)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000027386530 212555482 /nfs/dbraw/zinc/55/54/82/212555482.db2.gz ISFICYOBVGTXKJ-CYBMUJFWSA-N 0 0 340.810 4.501 50 0 EJAARN O=C(/C=C/c1ccc2c(c1)CCO2)Nc1ccccc1SC(F)F ZINC000026076860 212506739 /nfs/dbraw/zinc/50/67/39/212506739.db2.gz UBAUPGIFPFOXAD-SOFGYWHQSA-N 0 0 347.386 4.588 50 0 EJAARN C[C@H](Cc1cc2ccccc2o1)NC(=O)CCSc1ccccc1 ZINC000239593154 201152335 /nfs/dbraw/zinc/15/23/35/201152335.db2.gz DRPIDCMLFLNQKX-OAHLLOKOSA-N 0 0 339.460 4.662 50 0 EJAARN Cc1ccc(-c2nnc(CN[C@H](C)c3ccccc3Cl)o2)cc1 ZINC000025919705 212500725 /nfs/dbraw/zinc/50/07/25/212500725.db2.gz NTDCWOHTXKCWQU-CYBMUJFWSA-N 0 0 327.815 4.549 50 0 EJAARN O=C(NCc1ccc(F)cc1)c1sc2sccc2c1Cl ZINC000025708705 212495296 /nfs/dbraw/zinc/49/52/96/212495296.db2.gz HTSWGWBBDOOBGL-UHFFFAOYSA-N 0 0 325.817 4.685 50 0 EJAARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cc(-c2ccco2)on1 ZINC000025466502 212482996 /nfs/dbraw/zinc/48/29/96/212482996.db2.gz SGZPYWBTQUROTQ-UHFFFAOYSA-N 0 0 342.354 4.758 50 0 EJAARN Cc1ccc(NCc2cc(=O)oc3cc(C)c(Cl)cc23)cc1F ZINC000025425457 212480856 /nfs/dbraw/zinc/48/08/56/212480856.db2.gz HKAKPXQEOTVEFR-UHFFFAOYSA-N 0 0 331.774 4.814 50 0 EJAARN CC(=O)Nc1ccc2oc(-c3ccc(C(C)(C)C)cc3)cc(=O)c2c1 ZINC000009659957 201362606 /nfs/dbraw/zinc/36/26/06/201362606.db2.gz DQSIWRSLPXOYIR-UHFFFAOYSA-N 0 0 335.403 4.716 50 0 biogenic EJAARN C[C@H](NC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1cccc(F)c1 ZINC000025063259 212457972 /nfs/dbraw/zinc/45/79/72/212457972.db2.gz CICXCJIGXUDLBG-HNNXBMFYSA-N 0 0 347.389 4.548 50 0 EJAARN Cc1c(O[C@@H]2CCCCC2=O)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000000406876 201357614 /nfs/dbraw/zinc/35/76/14/201357614.db2.gz UPBMBUBREXTRFS-HXUWFJFHSA-N 0 0 348.398 4.659 50 0 biogenic EJAARN CCC(=O)Oc1ccc2oc(=O)c(-c3ccc(Cl)cc3)c(C)c2c1 ZINC000004340697 201359894 /nfs/dbraw/zinc/35/98/94/201359894.db2.gz WQAXGWZCNPCXPI-UHFFFAOYSA-N 0 0 342.778 4.737 50 0 EJAARN COc1ccc2cc(/C=C\C(=O)N[C@H](C)c3cccs3)ccc2c1 ZINC000096248575 201374493 /nfs/dbraw/zinc/37/44/93/201374493.db2.gz IGRQZYZRTFOHSI-LBIZBFCRSA-N 0 0 337.444 4.801 50 0 EJAARN Fc1ccc(-c2nnc(CSC/C=C\c3ccccc3)o2)cc1 ZINC000096291389 201376228 /nfs/dbraw/zinc/37/62/28/201376228.db2.gz ZVIKBRYVRXPRSZ-DAXSKMNVSA-N 0 0 326.396 4.822 50 0 EJAARN Cc1ccc(OCc2nnc(SC/C=C\c3ccccc3)o2)cc1 ZINC000096305448 201376446 /nfs/dbraw/zinc/37/64/46/201376446.db2.gz ITWGZHXNQMIHMY-YVMONPNESA-N 0 0 338.432 4.763 50 0 EJAARN Cc1nc(-c2ccccc2)ccc1C(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000024884471 212446302 /nfs/dbraw/zinc/44/63/02/212446302.db2.gz WGNZALMLOFEMRF-GHTZIAJQSA-N 0 0 334.463 4.852 50 0 EJAARN CCc1ccc(NC(=O)Nc2ccc(F)cc2Br)cc1 ZINC000044844852 202529158 /nfs/dbraw/zinc/52/91/58/202529158.db2.gz JJKWPZRARRZYLZ-UHFFFAOYSA-N 0 0 337.192 4.795 50 0 EJAARN CC[C@H](C)NC(=O)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000024842273 212443689 /nfs/dbraw/zinc/44/36/89/212443689.db2.gz DFLULZPLTFBAOT-LBPRGKRZSA-N 0 0 326.421 4.598 50 0 EJAARN Cc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3Cl)n[nH]2)cc1 ZINC000044837724 202527459 /nfs/dbraw/zinc/52/74/59/202527459.db2.gz QRGSHPHCSIWCLY-UHFFFAOYSA-N 0 0 346.217 4.944 50 0 EJAARN CN(c1ccc(NC(=O)OCC(F)(F)F)cc1F)C1CCCCC1 ZINC000048300963 202598259 /nfs/dbraw/zinc/59/82/59/202598259.db2.gz KQENFVYMAPUFQQ-UHFFFAOYSA-N 0 0 348.340 4.705 50 0 EJAARN O=C(N[C@H](c1cccs1)c1ccc2c(c1)CCCC2)c1cccnc1 ZINC000024277704 212417372 /nfs/dbraw/zinc/41/73/72/212417372.db2.gz MXPPSMFGZLAPOM-FQEVSTJZSA-N 0 0 348.471 4.541 50 0 EJAARN CC[C@@H](CNC(=O)CCC(=O)c1cc(C)ccc1C)c1ccccc1 ZINC000023748815 212392811 /nfs/dbraw/zinc/39/28/11/212392811.db2.gz VVEJEGINKKSBPV-SFHVURJKSA-N 0 0 337.463 4.576 50 0 EJAARN Cc1cc(-c2nc(-c3ccc4[nH]c(=O)oc4c3)cs2)ccc1F ZINC000023625160 212386556 /nfs/dbraw/zinc/38/65/56/212386556.db2.gz YLRUUXSYFSOXEI-UHFFFAOYSA-N 0 0 326.352 4.771 50 0 EJAARN c1coc(CN(Cc2cccs2)c2ncnc3ccsc32)c1 ZINC000023619531 212386486 /nfs/dbraw/zinc/38/64/86/212386486.db2.gz BGFNSVGRWTUOFM-UHFFFAOYSA-N 0 0 327.434 4.553 50 0 EJAARN O=C(c1ccccc1F)N1CCc2ccccc2[C@H]1c1ccc(F)cc1 ZINC000023308722 212368063 /nfs/dbraw/zinc/36/80/63/212368063.db2.gz WHFDYDDPAIDVNR-OAQYLSRUSA-N 0 0 349.380 4.753 50 0 EJAARN COc1cccc2sc(NC(=O)c3cc4ccccc4s3)nc21 ZINC000023299694 212368194 /nfs/dbraw/zinc/36/81/94/212368194.db2.gz LTMLHZPFVDVWBU-UHFFFAOYSA-N 0 0 340.429 4.772 50 0 EJAARN Cc1ccc([C@@H]2c3ccccc3CCN2C(=O)c2ccccc2F)cc1 ZINC000023306099 212367721 /nfs/dbraw/zinc/36/77/21/212367721.db2.gz RTNYZBFEOSMMPG-JOCHJYFZSA-N 0 0 345.417 4.922 50 0 EJAARN CN(CC1CC1)C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1 ZINC000058407695 202766262 /nfs/dbraw/zinc/76/62/62/202766262.db2.gz APNNKPVEXYBAKT-PKNBQFBNSA-N 0 0 331.868 4.950 50 0 EJAARN O=C(COc1ccc2ccccc2c1)N1CCCSc2ccccc21 ZINC000023228362 212361787 /nfs/dbraw/zinc/36/17/87/212361787.db2.gz DXJOASFCHJLWGH-UHFFFAOYSA-N 0 0 349.455 4.748 50 0 EJAARN C[C@H](OC(=O)c1cccnc1Oc1ccccc1)c1ccc(F)cc1 ZINC000023219558 212361006 /nfs/dbraw/zinc/36/10/06/212361006.db2.gz ULJFSZGLDYRUIO-AWEZNQCLSA-N 0 0 337.350 4.931 50 0 EJAARN O=C(NC[C@@H]1CC2c3ccccc3C1c1ccccc12)[C@@H]1CC=CCC1 ZINC000023055194 212346043 /nfs/dbraw/zinc/34/60/43/212346043.db2.gz LSNFVEYRUDPOIN-FXAUUADQSA-N 0 0 343.470 4.756 50 0 EJAARN Cc1noc(C)c1CCC(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000023143658 212355415 /nfs/dbraw/zinc/35/54/15/212355415.db2.gz KSJPGNVBLTVLLJ-HNNXBMFYSA-N 0 0 348.446 4.768 50 0 EJAARN CCOc1ccccc1NC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 ZINC000023055377 212345828 /nfs/dbraw/zinc/34/58/28/212345828.db2.gz XLFZYVWWAWYECW-AWEZNQCLSA-N 0 0 348.446 4.944 50 0 EJAARN COCc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 ZINC000023121167 212351086 /nfs/dbraw/zinc/35/10/86/212351086.db2.gz UGQNALLLSMTTLG-QFIPXVFZSA-N 0 0 345.442 4.661 50 0 EJAARN Clc1ccc(-c2noc(CSc3ncccc3Cl)n2)cc1 ZINC000022989169 212340705 /nfs/dbraw/zinc/34/07/05/212340705.db2.gz DQSQVXXGDKDJLH-UHFFFAOYSA-N 0 0 338.219 4.731 50 0 EJAARN CCCOc1ccccc1NC(=O)CCCC(=O)c1cccs1 ZINC000022963370 212339945 /nfs/dbraw/zinc/33/99/45/212339945.db2.gz GGTBKDMHYKQROQ-UHFFFAOYSA-N 0 0 331.437 4.529 50 0 EJAARN O=C(CSc1ccc2ccccc2c1)N[C@H]1CCOc2ccccc21 ZINC000023053352 212344176 /nfs/dbraw/zinc/34/41/76/212344176.db2.gz FMWHVPBVLAMBBL-IBGZPJMESA-N 0 0 349.455 4.572 50 0 EJAARN CC(C)c1ccc(-n2ccnc(SCc3ccccc3)c2=O)cc1 ZINC000022794418 212324831 /nfs/dbraw/zinc/32/48/31/212324831.db2.gz YLPYKXSHGFKMMR-UHFFFAOYSA-N 0 0 336.460 4.648 50 0 EJAARN Brc1ccc(CN2CCc3c4ccccc4[nH]c3C2)s1 ZINC000022779580 212323354 /nfs/dbraw/zinc/32/33/54/212323354.db2.gz NEAQQFKEJRCCMJ-UHFFFAOYSA-N 0 0 347.281 4.550 50 0 EJAARN COc1cccc(CNC(c2ccccc2)c2ccccc2)c1OC ZINC000022772454 212323120 /nfs/dbraw/zinc/32/31/20/212323120.db2.gz NEYHXZNWMGHYQN-UHFFFAOYSA-N 0 0 333.431 4.583 50 0 EJAARN CCCCC1CCC(C(=O)NCc2cc(-c3ccco3)on2)CC1 ZINC000022768462 212322492 /nfs/dbraw/zinc/32/24/92/212322492.db2.gz NVWBTPMXARIUSX-UHFFFAOYSA-N 0 0 330.428 4.547 50 0 EJAARN Cc1ccc(CCNC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1 ZINC000022654947 212314497 /nfs/dbraw/zinc/31/44/97/212314497.db2.gz PJWRTENIPPLQSF-UHFFFAOYSA-N 0 0 339.435 4.835 50 0 EJAARN CCc1ccccc1Nc1ncnc2c1cnn2-c1ccc(C)c(C)c1 ZINC000022628087 212313611 /nfs/dbraw/zinc/31/36/11/212313611.db2.gz APBVFVXACRDNNC-UHFFFAOYSA-N 0 0 343.434 4.738 50 0 EJAARN CCc1cc2c(ncnc2SCC(=O)c2ccc(Cl)cc2)s1 ZINC000000072469 201430315 /nfs/dbraw/zinc/43/03/15/201430315.db2.gz BSXXHQASKNGIMP-UHFFFAOYSA-N 0 0 348.880 4.882 50 0 EJAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](C)CC ZINC000022620762 212312438 /nfs/dbraw/zinc/31/24/38/212312438.db2.gz IZZBOAMRPMSYFB-GFCCVEGCSA-N 0 0 331.437 4.576 50 0 EJAARN COc1ccc([C@H](C)NC(=O)N[C@H](c2ccccc2)C(C)C)cc1F ZINC000022426328 212297198 /nfs/dbraw/zinc/29/71/98/212297198.db2.gz JARSLHMLXHPUEC-LIRRHRJNSA-N 0 0 344.430 4.592 50 0 EJAARN S=C(Nc1cccnc1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000000119202 201437165 /nfs/dbraw/zinc/43/71/65/201437165.db2.gz XAKKINSGUUHRKW-UHFFFAOYSA-N 0 0 332.643 4.851 50 0 EJAARN Cc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 ZINC000000119134 201437423 /nfs/dbraw/zinc/43/74/23/201437423.db2.gz RWDKKMZJXNWLED-UHFFFAOYSA-N 0 0 327.387 4.791 50 0 EJAARN CCC(CC)CNC(=O)c1cc(-c2cccc(C(F)(F)F)c2)on1 ZINC000022338183 212291987 /nfs/dbraw/zinc/29/19/87/212291987.db2.gz AJHJPUXCBUXOPW-UHFFFAOYSA-N 0 0 340.345 4.526 50 0 EJAARN CCCCCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(OC)cc1 ZINC000022342002 212291828 /nfs/dbraw/zinc/29/18/28/212291828.db2.gz ITNVLSRLSYYTOY-UHFFFAOYSA-N 0 0 343.471 4.697 50 0 EJAARN FC(F)(F)Oc1ccc(-c2nnc(-c3ccc(Cl)cc3)o2)cc1 ZINC000000122506 201437944 /nfs/dbraw/zinc/43/79/44/201437944.db2.gz GSPZOMKOGBYJMD-UHFFFAOYSA-N 0 0 340.688 4.956 50 0 EJAARN CCCC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](CCC)C2 ZINC000022322856 212289883 /nfs/dbraw/zinc/28/98/83/212289883.db2.gz WQHXPCZFEANXAV-GFCCVEGCSA-N 0 0 337.485 4.568 50 0 EJAARN CCOC(=O)c1cc(C(C)C)sc1NC(=O)CCC1CCCC1 ZINC000022320133 212289833 /nfs/dbraw/zinc/28/98/33/212289833.db2.gz NFRAEVKNXUWWGQ-UHFFFAOYSA-N 0 0 337.485 4.957 50 0 EJAARN CCOC(=O)c1cc([C@H](C)CC(C)(C)C)sc1NC(=O)C1CC1 ZINC000022321840 212289503 /nfs/dbraw/zinc/28/95/03/212289503.db2.gz DRGMMNGDFRJHRK-LLVKDONJSA-N 0 0 337.485 4.813 50 0 EJAARN CCC[C@@H]1CCc2c(sc(NC(=O)C=C(C)C)c2C(=O)OCC)C1 ZINC000022325191 212291089 /nfs/dbraw/zinc/29/10/89/212291089.db2.gz KRAXWXYRWNMGBX-CYBMUJFWSA-N 0 0 349.496 4.735 50 0 EJAARN O=C(Nc1ncccc1O)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000022263900 212286783 /nfs/dbraw/zinc/28/67/83/212286783.db2.gz CKSABVYJCKSCQP-UHFFFAOYSA-N 0 0 349.173 4.606 50 0 EJAARN CCc1ccnc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)c1 ZINC000000148384 201441396 /nfs/dbraw/zinc/44/13/96/201441396.db2.gz PJFNIGHEWAOXOX-UHFFFAOYSA-N 0 0 347.418 4.867 50 0 EJAARN Cc1ccc2ccc3cc(C(=O)Nc4ccc(C)c(C)c4)[nH]c3c2n1 ZINC000075346767 216609046 /nfs/dbraw/zinc/60/90/46/216609046.db2.gz CZKXLVFYLSXECY-UHFFFAOYSA-N 0 0 329.403 4.894 50 0 EJAARN COc1ccc(CNc2ccc(Cl)cc2C(=O)C(F)(F)F)cc1 ZINC000022116675 212278037 /nfs/dbraw/zinc/27/80/37/212278037.db2.gz BLTYAJPHEPYMJK-UHFFFAOYSA-N 0 0 343.732 4.706 50 0 in-vitro EJAARN COc1ccc(-c2cc(CN(C)Cc3ccc(Cl)s3)on2)cc1 ZINC000022134594 212279605 /nfs/dbraw/zinc/27/96/05/212279605.db2.gz HSVOSVMHWROWIO-UHFFFAOYSA-N 0 0 348.855 4.697 50 0 EJAARN Cc1ccc(OCc2cc(-c3ccccc3)on2)c2c1[C@@H](C)CC2=O ZINC000022134774 212278671 /nfs/dbraw/zinc/27/86/71/212278671.db2.gz KVMUXCRTFAHGNZ-AWEZNQCLSA-N 0 0 333.387 4.919 50 0 EJAARN CC(C)c1cccc(NC(=O)CSc2ncnc3ccsc32)c1 ZINC000022069205 212275896 /nfs/dbraw/zinc/27/58/96/212275896.db2.gz HJIYCWFBVMFRLO-UHFFFAOYSA-N 0 0 343.477 4.546 50 0 EJAARN FC(F)(F)c1cc(-c2cccs2)nc(NCCc2ccccc2)n1 ZINC000000213296 201449794 /nfs/dbraw/zinc/44/97/94/201449794.db2.gz RXMFHNGNDRMFEG-UHFFFAOYSA-N 0 0 349.381 4.879 50 0 EJAARN O=C(c1ccccc1Cl)N1CCS[C@@H](c2ccccc2)CC1 ZINC000211141241 241080711 /nfs/dbraw/zinc/08/07/11/241080711.db2.gz UUNSDZGGCKQFAA-QGZVFWFLSA-N 0 0 331.868 4.660 50 0 EJAARN CC[C@H](c1cccnc1)N(C)C(=O)c1[nH]c2c(c1C)c(C)ccc2C ZINC000215168204 241111169 /nfs/dbraw/zinc/11/11/69/241111169.db2.gz AWMAKGYMQFUTHX-QGZVFWFLSA-N 0 0 335.451 4.711 50 0 EJAARN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(Cl)cc1Br ZINC000201321010 241041106 /nfs/dbraw/zinc/04/11/06/241041106.db2.gz KQNRMISRZVQOTB-MRVPVSSYSA-N 0 0 334.641 4.688 50 0 EJAARN CC(C)Cn1c(=O)c2sccc2nc1SCc1ccccc1F ZINC000206596491 241045378 /nfs/dbraw/zinc/04/53/78/241045378.db2.gz VTNACJOMTTUMOW-UHFFFAOYSA-N 0 0 348.468 4.545 50 0 EJAARN Cc1ccccc1-c1ccccc1C(=O)N(C)[C@@H](C)c1ccncc1 ZINC000215840954 241149551 /nfs/dbraw/zinc/14/95/51/241149551.db2.gz IMPMLQJBBRORNE-KRWDZBQOSA-N 0 0 330.431 4.890 50 0 EJAARN c1ccc([C@@H]2CCCCN2Cc2cnc(C3CCCCC3)nc2)nc1 ZINC000216458426 241196066 /nfs/dbraw/zinc/19/60/66/241196066.db2.gz IQDZEXSOQQWCMF-FQEVSTJZSA-N 0 0 336.483 4.647 50 0 EJAARN C[C@H]1c2ccsc2CCN1Cc1ncc(-c2ccc(F)cc2)o1 ZINC000022056259 212274216 /nfs/dbraw/zinc/27/42/16/212274216.db2.gz PJMCBJLFDALUCB-LBPRGKRZSA-N 0 0 328.412 4.662 50 0 EJAARN O=C(Nc1ccccc1)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000000312939 201459881 /nfs/dbraw/zinc/45/98/81/201459881.db2.gz MKIXMKFINFXEDT-UHFFFAOYSA-N 0 0 346.390 4.975 50 0 EJAARN CC[C@H]1C[C@@](C)(c2csc(Nc3ccccc3Cl)n2)OC1=O ZINC000000330705 201460588 /nfs/dbraw/zinc/46/05/88/201460588.db2.gz KLCFJWHXZMHIJJ-QFYYESIMSA-N 0 0 336.844 4.728 50 0 EJAARN O=C(/C=C/c1ccc(Br)cc1)Nc1ccc(Cl)cc1 ZINC000000354201 201462950 /nfs/dbraw/zinc/46/29/50/201462950.db2.gz LDSPFGGNTPVCHK-XCVCLJGOSA-N 0 0 336.616 4.754 50 0 EJAARN CCN(CC)c1ccc(NC(=O)[C@H](C)Oc2ccccc2C)c(C)c1 ZINC000000364686 201464592 /nfs/dbraw/zinc/46/45/92/201464592.db2.gz INKQONCZDPHRSC-KRWDZBQOSA-N 0 0 340.467 4.556 50 0 EJAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1 ZINC000000385230 201467051 /nfs/dbraw/zinc/46/70/51/201467051.db2.gz JHPOWEKNNICRTQ-UHFFFAOYSA-N 0 0 333.231 4.977 50 0 EJAARN Cc1cc2nc(NC(=O)Nc3cc(F)ccc3F)sc2cc1C ZINC000000399399 201468789 /nfs/dbraw/zinc/46/87/89/201468789.db2.gz BRPAEYNHPCERIT-UHFFFAOYSA-N 0 0 333.363 4.835 50 0 EJAARN O=C1CS[C@H](c2ccc(Cl)cc2Cl)N1C1CCCCC1 ZINC000000423865 201470472 /nfs/dbraw/zinc/47/04/72/201470472.db2.gz MXBRROOUVDJEHB-OAHLLOKOSA-N 0 0 330.280 4.900 50 0 EJAARN CC(C)C[C@@H]1CC(=O)Oc2ccc3c(c21)OC1(CCCCC1)CC3=O ZINC000218073166 241296268 /nfs/dbraw/zinc/29/62/68/241296268.db2.gz UTGPKJRGVZQZHC-CQSZACIVSA-N 0 0 342.435 4.794 50 0 biogenic EJAARN Cc1cccc(NC(=S)N(Cc2ccccc2)Cc2ccccn2)c1 ZINC000000270197 201456388 /nfs/dbraw/zinc/45/63/88/201456388.db2.gz SLVSKTAAWCKOMQ-UHFFFAOYSA-N 0 0 347.487 4.789 50 0 EJAARN CCCc1cc(=O)oc2c(C)c(OCc3ccc(F)cc3F)ccc12 ZINC000000616445 201490409 /nfs/dbraw/zinc/49/04/09/201490409.db2.gz IJZFRBNGKCKBLS-UHFFFAOYSA-N 0 0 344.357 4.911 50 0 EJAARN O=C(Nc1cccs1)N1CCS[C@@H](c2ccccc2F)CC1 ZINC000219139375 241367096 /nfs/dbraw/zinc/36/70/96/241367096.db2.gz LCIXZGKMXWLFAC-CQSZACIVSA-N 0 0 336.457 4.599 50 0 EJAARN Cc1ccccc1[C@H]1CCN(C(=O)Nc2ccccc2)CCS1 ZINC000219295776 241377917 /nfs/dbraw/zinc/37/79/17/241377917.db2.gz VFPHNZVLFDWBIH-GOSISDBHSA-N 0 0 326.465 4.707 50 0 EJAARN CCOc1ccc(C(=O)CCC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000000452225 201475242 /nfs/dbraw/zinc/47/52/42/201475242.db2.gz SNHLIJLFMKAWFW-UHFFFAOYSA-N 0 0 345.826 4.649 50 0 EJAARN Cc1cccn2cc(-c3cccc(NC(=O)c4ccccc4F)c3)nc12 ZINC000000472496 201478031 /nfs/dbraw/zinc/47/80/31/201478031.db2.gz BGOAGBGUGJNTLR-UHFFFAOYSA-N 0 0 345.377 4.701 50 0 EJAARN O=C(Nc1ccccc1Cl)N1CCS[C@H](c2ccco2)CC1 ZINC000219432604 241385722 /nfs/dbraw/zinc/38/57/22/241385722.db2.gz CYQIJSFTRKXARV-HNNXBMFYSA-N 0 0 336.844 4.645 50 0 EJAARN CCCc1cc(=O)oc2c(C)c(OCc3ccccc3OC)ccc12 ZINC000000526666 201482331 /nfs/dbraw/zinc/48/23/31/201482331.db2.gz FINGTJVXHRUOPY-UHFFFAOYSA-N 0 0 338.403 4.642 50 0 biogenic EJAARN CC(C)c1nc(CN2CCC(CCc3ccc(O)cc3)CC2)cs1 ZINC000060856938 202784447 /nfs/dbraw/zinc/78/44/47/202784447.db2.gz ZKHNWDNNTDDCMM-UHFFFAOYSA-N 0 0 344.524 4.817 50 0 EJAARN COc1ccc(C)cc1CN(C)C(=O)c1cccc(Cl)c1Cl ZINC000021938685 212265411 /nfs/dbraw/zinc/26/54/11/212265411.db2.gz OUKSMBGKCKBZSA-UHFFFAOYSA-N 0 0 338.234 4.583 50 0 EJAARN O=C(/C=C/c1cccs1)N1CCS[C@H](c2cccs2)CC1 ZINC000219468643 241389142 /nfs/dbraw/zinc/38/91/42/241389142.db2.gz CSDHWMXTNXQXSB-NFAHFFEMSA-N 0 0 335.519 4.530 50 0 EJAARN O=C(c1ccc(Cl)s1)N1CCS[C@@H](c2cccs2)CC1 ZINC000219503960 241392782 /nfs/dbraw/zinc/39/27/82/241392782.db2.gz KQKCYAPLKLUAFP-LLVKDONJSA-N 0 0 343.926 4.783 50 0 EJAARN COc1ccc2cc([C@H](C)C(=O)N[C@H]3CCCC[C@H]3C)ccc2c1 ZINC000021875487 212258547 /nfs/dbraw/zinc/25/85/47/212258547.db2.gz KZVJJENLDZNITF-SIFCLUCFSA-N 0 0 325.452 4.647 50 0 EJAARN CCOc1ccc(Nc2cc(C(=O)Nc3ccc(C)cc3)ccn2)cc1 ZINC000021881891 212258263 /nfs/dbraw/zinc/25/82/63/212258263.db2.gz FCNYYCPQNOXSJR-UHFFFAOYSA-N 0 0 347.418 4.785 50 0 EJAARN O=C(NCCCC[C@H]1CCCO1)c1ccc(-c2cccc(F)c2)cc1 ZINC000220747000 241453065 /nfs/dbraw/zinc/45/30/65/241453065.db2.gz QBFTZOKBOJDVPU-FQEVSTJZSA-N 0 0 341.426 4.572 50 0 EJAARN Cc1ccc2nc(-c3ccccc3)c(NC(=O)c3cccs3)n2c1 ZINC000021835882 212255037 /nfs/dbraw/zinc/25/50/37/212255037.db2.gz YRYQKCJKDOCJDI-UHFFFAOYSA-N 0 0 333.416 4.624 50 0 EJAARN CC[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)Nc1ccccc1OC ZINC000021779824 212249518 /nfs/dbraw/zinc/24/95/18/212249518.db2.gz VVHDXVPTBLAILM-GOSISDBHSA-N 0 0 349.434 4.718 50 0 EJAARN CC[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)Nc1ccccc1OC ZINC000021779820 212249063 /nfs/dbraw/zinc/24/90/63/212249063.db2.gz VVHDXVPTBLAILM-SFHVURJKSA-N 0 0 349.434 4.718 50 0 EJAARN CCCNc1cc(C(C)(C)C)nc2c(-c3ccc(F)cc3)c(C)nn21 ZINC000021799329 212252032 /nfs/dbraw/zinc/25/20/32/212252032.db2.gz FHXQPDAHWBFMFQ-UHFFFAOYSA-N 0 0 340.446 4.963 50 0 EJAARN Cc1ccc(-c2cc3nccc(-c4cc(Cl)ccc4O)n3n2)cc1 ZINC000021729154 212245496 /nfs/dbraw/zinc/24/54/96/212245496.db2.gz QJYGLJVWKJAPDT-UHFFFAOYSA-N 0 0 335.794 4.731 50 0 EJAARN CCCCOc1ccc([C@@H](C)N[C@@H](C)c2cc(C)on2)cc1OC ZINC000225735088 242010815 /nfs/dbraw/zinc/01/08/15/242010815.db2.gz KKXLUBLJXBRZLL-CABCVRRESA-N 0 0 332.444 4.582 50 0 EJAARN Cc1nnc2c(SCc3ccc(Cl)cc3)nc3ccccc3n12 ZINC000021658021 212237441 /nfs/dbraw/zinc/23/74/41/212237441.db2.gz IUTODZVAFZBCEF-UHFFFAOYSA-N 0 0 340.839 4.532 50 0 EJAARN Cc1ccc(CNc2ncnc3onc(-c4ccccc4C)c32)cc1 ZINC000021714666 212242059 /nfs/dbraw/zinc/24/20/59/212242059.db2.gz KEDJLMXNAMFBSG-UHFFFAOYSA-N 0 0 330.391 4.514 50 0 EJAARN O=C(c1cc(-c2ccccc2F)no1)N1CCC[C@H]1c1cccs1 ZINC000021525281 212229047 /nfs/dbraw/zinc/22/90/47/212229047.db2.gz ULMHGCBVGVXLFZ-HNNXBMFYSA-N 0 0 342.395 4.520 50 0 EJAARN C=Cc1ccc(COc2ccc3c(c2)oc(=O)c2c3CCCC2)cc1 ZINC000001797613 201520669 /nfs/dbraw/zinc/52/06/69/201520669.db2.gz MEJTWPGJZBNVIK-UHFFFAOYSA-N 0 0 332.399 4.894 50 0 EJAARN CCCSc1nc2sc(C)c(C)c2c(=O)n1-c1cccc(C)c1 ZINC000002143324 201525329 /nfs/dbraw/zinc/52/53/29/201525329.db2.gz IRNFMGWYXGGEQU-UHFFFAOYSA-N 0 0 344.505 4.875 50 0 EJAARN Nc1sc2c(c1C(=O)Nc1cccc(Cl)c1)CCCCCC2 ZINC000002558514 201535340 /nfs/dbraw/zinc/53/53/40/201535340.db2.gz YDQDOBHYNADTPF-UHFFFAOYSA-N 0 0 334.872 4.895 50 0 EJAARN Cc1csc(NC(=O)CCCSc2ccc(Cl)cc2)n1 ZINC000002624501 201537623 /nfs/dbraw/zinc/53/76/23/201537623.db2.gz AEGUVUQIJALMMH-UHFFFAOYSA-N 0 0 326.874 4.616 50 0 EJAARN COc1cccc(C(=O)NCCC(c2ccccc2)c2ccccc2)c1 ZINC000002745588 201542917 /nfs/dbraw/zinc/54/29/17/201542917.db2.gz ICPRKUAPXIPQKV-UHFFFAOYSA-N 0 0 345.442 4.647 50 0 EJAARN COc1ccc(SCc2cc(=O)oc3cc4c(cc23)CCC4)cc1 ZINC000021117003 212209036 /nfs/dbraw/zinc/20/90/36/212209036.db2.gz WMXHEOMJCPYKGS-UHFFFAOYSA-N 0 0 338.428 4.583 50 0 EJAARN FC(F)(F)c1cnc(Sc2ncnc3sccc32)c(Cl)c1 ZINC000003342132 201567027 /nfs/dbraw/zinc/56/70/27/201567027.db2.gz KSRWMIXRZHPEJH-UHFFFAOYSA-N 0 0 347.774 4.910 50 0 EJAARN c1csc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)c1 ZINC000003900806 201584180 /nfs/dbraw/zinc/58/41/80/201584180.db2.gz GOWACXPZKVVISS-YLJYHZDGSA-N 0 0 332.428 4.990 50 0 EJAARN O=C(Nc1nc(-c2c[nH]c3ccccc32)cs1)C1CCCCC1 ZINC000003446467 201571926 /nfs/dbraw/zinc/57/19/26/201571926.db2.gz NETDTPJRPZHMAP-UHFFFAOYSA-N 0 0 325.437 4.810 50 0 EJAARN Cn1c(SCc2c(F)cccc2Cl)nnc1-c1ccccc1 ZINC000003506204 201575065 /nfs/dbraw/zinc/57/50/65/201575065.db2.gz TVZZVOMVDSXALK-UHFFFAOYSA-N 0 0 333.819 4.567 50 0 EJAARN CCc1cccc(Nc2cc(C)nc3nc(-c4ccc(C)cc4)nn32)c1 ZINC000021089396 212205248 /nfs/dbraw/zinc/20/52/48/212205248.db2.gz JDESTHSPGXOMOK-UHFFFAOYSA-N 0 0 343.434 4.714 50 0 EJAARN CCC(CC)c1nnc(NC(=O)COc2ccccc2C(C)C)s1 ZINC000021056656 212205188 /nfs/dbraw/zinc/20/51/88/212205188.db2.gz MFXSFOANFSJRJG-UHFFFAOYSA-N 0 0 347.484 4.583 50 0 EJAARN O=C(NCCc1csc2c1CCCC2)Nc1ccc(Cl)cc1 ZINC000021088106 212205070 /nfs/dbraw/zinc/20/50/70/212205070.db2.gz ZTCSOTIQWIUKSJ-UHFFFAOYSA-N 0 0 334.872 4.645 50 0 EJAARN Cc1cccc(NC(=O)NCCc2csc3c2CC[C@@H](C)C3)c1C ZINC000021088391 212204696 /nfs/dbraw/zinc/20/46/96/212204696.db2.gz LPDUUNDPRLAMAF-CYBMUJFWSA-N 0 0 342.508 4.854 50 0 EJAARN Cc1nc2cc(C)ccn2c1C(=O)CSc1ccc(Cl)cc1 ZINC000004003147 201587061 /nfs/dbraw/zinc/58/70/61/201587061.db2.gz SEFANKIBSAKVEN-UHFFFAOYSA-N 0 0 330.840 4.580 50 0 EJAARN CCN(CC)C(=O)c1csc(Nc2cccc3ccccc32)n1 ZINC000004688476 201612405 /nfs/dbraw/zinc/61/24/05/201612405.db2.gz VVGJMVYMOROCKQ-UHFFFAOYSA-N 0 0 325.437 4.522 50 0 EJAARN CCc1ccc(NC(=O)C[C@@H](c2ccccc2C)n2cccc2)cc1 ZINC000020998628 212198231 /nfs/dbraw/zinc/19/82/31/212198231.db2.gz XVFAKQPEIYWWCS-NRFANRHFSA-N 0 0 332.447 4.977 50 0 EJAARN COc1ccc([C@H](CC(=O)Nc2cccc(C)c2C)n2cccc2)cc1 ZINC000020997484 212196160 /nfs/dbraw/zinc/19/61/60/212196160.db2.gz VHKDISCMRRQQLX-NRFANRHFSA-N 0 0 348.446 4.732 50 0 EJAARN Cc1cc(F)ccc1NC(=O)C[C@H](c1ccc(F)cc1)n1cccc1 ZINC000020997780 212196210 /nfs/dbraw/zinc/19/62/10/212196210.db2.gz GYZBQIFQSMXVTQ-LJQANCHMSA-N 0 0 340.373 4.693 50 0 EJAARN CC(C)Oc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccccc1 ZINC000004867609 201624574 /nfs/dbraw/zinc/62/45/74/201624574.db2.gz FYZSMNARUBPKSD-UHFFFAOYSA-N 0 0 337.341 4.674 50 0 EJAARN CC(C)Cc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)o1 ZINC000004622437 201608840 /nfs/dbraw/zinc/60/88/40/201608840.db2.gz OPANOIKTFMMBBS-UHFFFAOYSA-N 0 0 334.419 4.716 50 0 EJAARN Cc1ccc(Cl)cc1NC(=O)COc1cccc2ccccc21 ZINC000004666187 201610026 /nfs/dbraw/zinc/61/00/26/201610026.db2.gz QDMGPWITCJSFPT-UHFFFAOYSA-N 0 0 325.795 4.819 50 0 EJAARN Cc1[nH]c2ccc(Cl)cc2c1CCNC(=S)Nc1ccccc1 ZINC000004905051 201625970 /nfs/dbraw/zinc/62/59/70/201625970.db2.gz CXFKFWMECGEQED-UHFFFAOYSA-N 0 0 343.883 4.659 50 0 EJAARN CCCCOc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000004917866 201626849 /nfs/dbraw/zinc/62/68/49/201626849.db2.gz XFQAMGRVIAVVNO-UHFFFAOYSA-N 0 0 327.468 4.564 50 0 EJAARN Cc1ccc(N2C(=O)c3ccccc3[C@@H]2Nc2cc(C)ccc2C)nc1 ZINC000004917019 201626873 /nfs/dbraw/zinc/62/68/73/201626873.db2.gz WRETZWPKIAKCQB-OAQYLSRUSA-N 0 0 343.430 4.778 50 0 EJAARN Cc1ccc(CNC(=O)c2cc3c(s2)-c2c(C)cccc2OC3)cc1 ZINC000005049743 201635744 /nfs/dbraw/zinc/63/57/44/201635744.db2.gz ZRMKSMPRQXXEPV-UHFFFAOYSA-N 0 0 349.455 4.854 50 0 aggregator EJAARN Cc1ccc(-c2nonc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000005451713 201651512 /nfs/dbraw/zinc/65/15/12/201651512.db2.gz HSHPBUUNLVGUCV-UHFFFAOYSA-N 0 0 335.407 4.595 50 0 EJAARN CCC[C@@H]1c2ccc(C)n2CCN1C(=O)Nc1ccccc1CC ZINC000020900391 212184742 /nfs/dbraw/zinc/18/47/42/212184742.db2.gz TYIDLDDZSROKBL-GOSISDBHSA-N 0 0 325.456 4.748 50 0 EJAARN Cc1ccccc1-c1noc(-c2cccc(NC(=O)C(C)(C)C)c2)n1 ZINC000020900003 212184022 /nfs/dbraw/zinc/18/40/22/212184022.db2.gz RSSOQFOHMQTZQG-UHFFFAOYSA-N 0 0 335.407 4.697 50 0 EJAARN CCC[C@H]1c2ccc(C)n2CCN1C(=O)Nc1cccc(Cl)c1 ZINC000020900353 212184163 /nfs/dbraw/zinc/18/41/63/212184163.db2.gz MPHMEFJUOBFWEG-INIZCTEOSA-N 0 0 331.847 4.839 50 0 EJAARN O=C(CSCc1c(F)cccc1Cl)Nc1ccc2c(c1)CCC2 ZINC000005936636 201668340 /nfs/dbraw/zinc/66/83/40/201668340.db2.gz IHAFVNXXOLJKHO-UHFFFAOYSA-N 0 0 349.858 4.840 50 0 EJAARN CCCCOc1cccc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)c1 ZINC000020897336 212183671 /nfs/dbraw/zinc/18/36/71/212183671.db2.gz KFOAWOZHMKAARX-CYBMUJFWSA-N 0 0 344.480 4.699 50 0 EJAARN CCOc1ccc(-c2cc(C(=O)Sc3ccc(C)cc3)no2)cc1 ZINC000020896758 212183737 /nfs/dbraw/zinc/18/37/37/212183737.db2.gz ROVXDRWVSAJMST-UHFFFAOYSA-N 0 0 339.416 4.981 50 0 EJAARN COc1ccc(N(Cc2cccs2)C(=O)c2ccc(C)cc2)cc1 ZINC000020896890 212183473 /nfs/dbraw/zinc/18/34/73/212183473.db2.gz NEPIKXCPCZEBRO-UHFFFAOYSA-N 0 0 337.444 4.912 50 0 EJAARN Cc1nc([C@@H](C)Nc2ccc(SCc3ccccc3)cn2)cn1C ZINC000241810052 243002989 /nfs/dbraw/zinc/00/29/89/243002989.db2.gz SCSJJKSGFXLQPB-CQSZACIVSA-N 0 0 338.480 4.589 50 0 EJAARN C[C@@H](NC(=O)Cc1ccccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000006286467 201677345 /nfs/dbraw/zinc/67/73/45/201677345.db2.gz QUJXTUYJAJKBCT-XXWNAHEMSA-N 0 0 331.887 4.604 50 0 EJAARN C[C@H](Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1)c1cc(F)cc(F)c1 ZINC000242389505 243019230 /nfs/dbraw/zinc/01/92/30/243019230.db2.gz ZXSVJCXXEVBMIH-SVIJTADQSA-N 0 0 347.405 4.820 50 0 EJAARN COc1ccc(/C=C\C(=O)Oc2cc(C)cc(C(C)C)c2)cc1OC ZINC000006683688 201690683 /nfs/dbraw/zinc/69/06/83/201690683.db2.gz SGJZHJUWTQKSOQ-CLFYSBASSA-N 0 0 340.419 4.754 50 0 EJAARN Cc1nc2ccccc2c2oc(C(=O)NCCC3=CCCCC3)cc21 ZINC000006738158 201693212 /nfs/dbraw/zinc/69/32/12/201693212.db2.gz BORWKFPJACYEMP-UHFFFAOYSA-N 0 0 334.419 4.910 50 0 EJAARN COc1c(C(=O)N[C@H](C)c2ccccc2)sc2cccc(F)c21 ZINC000064756309 202816675 /nfs/dbraw/zinc/81/66/75/202816675.db2.gz WYJSMKJLRROYST-LLVKDONJSA-N 0 0 329.396 4.540 50 0 EJAARN Cc1ccc(Nc2c(C(=O)OC(C)C)cnc3nc(C)ccc32)c(C)c1 ZINC000065114268 202824683 /nfs/dbraw/zinc/82/46/83/202824683.db2.gz FDUPNODXYPIVGX-UHFFFAOYSA-N 0 0 349.434 4.864 50 0 EJAARN Cc1nc(-c2ccc(NC(=O)c3cc4c(s3)CCC4)cc2)oc1C ZINC000065811280 202873837 /nfs/dbraw/zinc/87/38/37/202873837.db2.gz GNEOCCUYLACTJE-UHFFFAOYSA-N 0 0 338.432 4.761 50 0 EJAARN O=C(Nc1ccc(F)cc1OC(F)F)c1cc2c(s1)CCCC2 ZINC000020606450 212154275 /nfs/dbraw/zinc/15/42/75/212154275.db2.gz SIWDXZXUHWYEMG-UHFFFAOYSA-N 0 0 341.354 4.620 50 0 EJAARN O=C(Nc1nccs1)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000066346566 202885787 /nfs/dbraw/zinc/88/57/87/202885787.db2.gz JGCPJENDENYAJJ-CYBMUJFWSA-N 0 0 349.868 4.769 50 0 EJAARN Fc1ccc(-n2ncc3c2nc(-c2ccco2)cc3C(F)F)cc1 ZINC000020603113 212152842 /nfs/dbraw/zinc/15/28/42/212152842.db2.gz ABVKYRPQALRNLW-UHFFFAOYSA-N 0 0 329.281 4.757 50 0 EJAARN CCc1cc(C(F)(F)F)c2c(C3CC3)nn(-c3ccccc3)c2n1 ZINC000020604298 212152386 /nfs/dbraw/zinc/15/23/86/212152386.db2.gz LIRTUGLIVCQJQK-UHFFFAOYSA-N 0 0 331.341 4.879 50 0 EJAARN Cc1sc2c(c1C)CSC(C(=O)NCCc1ccc(C)cc1)=C2 ZINC000020557332 212146693 /nfs/dbraw/zinc/14/66/93/212146693.db2.gz FSMIPJUCQZISEX-UHFFFAOYSA-N 0 0 343.517 4.620 50 0 EJAARN C[C@@H]1CCCC[C@H]1Nc1ncnc2onc(-c3ccc(Cl)cc3)c21 ZINC000020575082 212149213 /nfs/dbraw/zinc/14/92/13/212149213.db2.gz JVNHZYPRXZKLQW-BXUZGUMPSA-N 0 0 342.830 4.929 50 0 EJAARN C[C@@H]1CCC[C@H](Nc2ncnc3onc(-c4ccc(F)cc4)c32)[C@@H]1C ZINC000020574411 212148827 /nfs/dbraw/zinc/14/88/27/212148827.db2.gz RVOLYJSXEBGXKQ-JMSVASOKSA-N 0 0 340.402 4.661 50 0 EJAARN Cc1ccc(N(C)C(=O)c2cc3ccc4cccnc4c3[nH]2)cc1C ZINC000020575442 212148952 /nfs/dbraw/zinc/14/89/52/212148952.db2.gz LIHDSLAHFSUJKN-UHFFFAOYSA-N 0 0 329.403 4.610 50 0 EJAARN C[C@@H]1CCCC[C@@H]1Nc1ncnc2onc(-c3ccc(Cl)cc3)c21 ZINC000020575080 212148744 /nfs/dbraw/zinc/14/87/44/212148744.db2.gz JVNHZYPRXZKLQW-RISCZKNCSA-N 0 0 342.830 4.929 50 0 EJAARN CCCN(Cc1cccs1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000020464527 212134845 /nfs/dbraw/zinc/13/48/45/212134845.db2.gz RTZFXQXGVRLPPI-UHFFFAOYSA-N 0 0 332.513 4.639 50 0 EJAARN CC(C)c1cc(Cn2ccnc2-c2ccc([C@H]3CCCCO3)o2)on1 ZINC000071388801 203093830 /nfs/dbraw/zinc/09/38/30/203093830.db2.gz KUZPIMADZFQIKD-MRXNPFEDSA-N 0 0 341.411 4.544 50 0 EJAARN O=C(NCC12CC3CC(CC(C3)C1)C2)Nc1ccc(Cl)cc1F ZINC000020435906 212129400 /nfs/dbraw/zinc/12/94/00/212129400.db2.gz AYMLJCAJDSCNPJ-UHFFFAOYSA-N 0 0 336.838 4.817 50 0 EJAARN CC(C)[C@H]1C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)C1=O ZINC000253607818 244036123 /nfs/dbraw/zinc/03/61/23/244036123.db2.gz HSPBAJZIILLPKZ-XYRDAXTESA-N 0 0 330.512 4.761 50 0 EJAARN 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O=C(/C=C/c1cccc2cccnc12)OCc1ccc(F)cc1Cl ZINC000014811788 211765592 /nfs/dbraw/zinc/76/55/92/211765592.db2.gz CQBLPDZRRWDISF-VQHVLOKHSA-N 0 0 341.769 4.784 50 0 EJAARN CC(=O)O[C@@H](C(=O)N(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001744310 205598197 /nfs/dbraw/zinc/59/81/97/205598197.db2.gz XOBBVCGDORYQQZ-OAQYLSRUSA-N 0 0 345.398 4.656 50 0 EJAARN O=C(Oc1ccccc1)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000003353965 205660232 /nfs/dbraw/zinc/66/02/32/205660232.db2.gz OYJSUVHHTVQUGS-UHFFFAOYSA-N 0 0 340.382 4.759 50 0 EJAARN COc1ccccc1-c1ccc(SCc2ccc(F)cc2)nn1 ZINC000004356129 205707031 /nfs/dbraw/zinc/70/70/31/205707031.db2.gz SLGJGPITJUBOBZ-UHFFFAOYSA-N 0 0 326.396 4.584 50 0 EJAARN COc1ccc2c(C)cc(SCC(=O)c3ccc(F)cc3)nc2c1 ZINC000004188759 205691573 /nfs/dbraw/zinc/69/15/73/205691573.db2.gz FDKJTXLPKLVNIK-UHFFFAOYSA-N 0 0 341.407 4.666 50 0 EJAARN O=C(Nc1nc2c(cc(F)cc2F)s1)c1ccc2c(c1)CCCC2 ZINC000004325451 205699544 /nfs/dbraw/zinc/69/95/44/205699544.db2.gz JUCCWNYMMHKROQ-UHFFFAOYSA-N 0 0 344.386 4.706 50 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340.448 4.853 50 0 EJAARN COc1cc2c(cc1NC(=O)OCC(F)(F)F)oc1ccccc12 ZINC000082168210 217483110 /nfs/dbraw/zinc/48/31/10/217483110.db2.gz DKYSZQJTWDNLNI-UHFFFAOYSA-N 0 0 339.269 4.705 50 0 EJAARN O=C(CSc1ccccc1)Nc1ccc(-c2nccs2)cc1 ZINC000014076586 211677727 /nfs/dbraw/zinc/67/77/27/211677727.db2.gz NRSXBQGBNSEEJF-UHFFFAOYSA-N 0 0 326.446 4.541 50 0 EJAARN Cc1ccc2cccc(OCc3ccc(Br)cc3)c2n1 ZINC000000576101 206244701 /nfs/dbraw/zinc/24/47/01/206244701.db2.gz NBCZVMLLGMNWAK-UHFFFAOYSA-N 0 0 328.209 4.885 50 0 EJAARN Cc1ccc2c(c1)nc(SCC(=O)c1ccc(Cl)cc1)n2C ZINC000013855788 211652819 /nfs/dbraw/zinc/65/28/19/211652819.db2.gz DSQRWAIAPWSMNH-UHFFFAOYSA-N 0 0 330.840 4.510 50 0 EJAARN Cc1ccc(-c2cc3ncc4c(n3n2)-c2cc(Cl)ccc2OC4)cc1 ZINC000013828452 211646914 /nfs/dbraw/zinc/64/69/14/211646914.db2.gz ZSLPPGNNFCXOGZ-UHFFFAOYSA-N 0 0 347.805 4.918 50 0 EJAARN CCc1ccc([C@@H](C)NC(=O)Nc2ccccc2Br)cc1 ZINC000013746033 211630269 /nfs/dbraw/zinc/63/02/69/211630269.db2.gz ZBSNAAASKGKMGH-GFCCVEGCSA-N 0 0 347.256 4.894 50 0 EJAARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)OCCc1ccccn1 ZINC000013227928 211538136 /nfs/dbraw/zinc/53/81/36/211538136.db2.gz KEKHXEOJQCJUPG-UHFFFAOYSA-N 0 0 344.720 4.545 50 0 EJAARN Cc1noc(C)c1COc1ccc(CNc2ccc3c(c2)CCC3)cc1 ZINC000089529487 217809285 /nfs/dbraw/zinc/80/92/85/217809285.db2.gz JGVMJYDUZZPCSP-UHFFFAOYSA-N 0 0 348.446 4.971 50 0 EJAARN CSc1cccc(NC(=O)c2csc(-c3ccsc3)n2)c1 ZINC000013012661 211512054 /nfs/dbraw/zinc/51/20/54/211512054.db2.gz WNFVJLDTWMFUJO-UHFFFAOYSA-N 0 0 332.475 4.846 50 0 EJAARN O=C(Cc1c[nH]c2ccccc12)Nc1ccc(SC(F)F)cc1 ZINC000003333886 206458760 /nfs/dbraw/zinc/45/87/60/206458760.db2.gz FINRWLRWURQMJS-UHFFFAOYSA-N 0 0 332.375 4.664 50 0 EJAARN Cc1ccc(NC(=O)Cc2ccc(C)c(C)c2)c(Br)c1 ZINC000003438003 206468506 /nfs/dbraw/zinc/46/85/06/206468506.db2.gz ISWQGTAHUZNVKY-UHFFFAOYSA-N 0 0 332.241 4.556 50 0 EJAARN Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C2 ZINC000012978983 211497184 /nfs/dbraw/zinc/49/71/84/211497184.db2.gz QWQVQGFSRRWDHU-OAHLLOKOSA-N 0 0 338.259 4.957 50 0 EJAARN COc1cc2c(cc1OC)[C@@H]1CCCC[C@H]1O[C@@H]2c1ccc(F)cc1 ZINC000169678483 206555122 /nfs/dbraw/zinc/55/51/22/206555122.db2.gz YCLLGORVUPSCES-RRMPHLOHSA-N 0 0 342.410 4.989 50 0 EJAARN CCC(CC)NC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1 ZINC000012971964 211494720 /nfs/dbraw/zinc/49/47/20/211494720.db2.gz ZNUTVHQEWKRTPL-UHFFFAOYSA-N 0 0 349.434 4.630 50 0 EJAARN Cc1c(C(=O)Nc2ccc(Cl)cc2C)cnn1-c1cccc(C)c1 ZINC000012822702 211466494 /nfs/dbraw/zinc/46/64/94/211466494.db2.gz XXORCWJKDFXUGX-UHFFFAOYSA-N 0 0 339.826 4.703 50 0 EJAARN O=C(Nc1cccc(F)c1)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000012817535 211465789 /nfs/dbraw/zinc/46/57/89/211465789.db2.gz QDRRLYHDLYWCDT-UHFFFAOYSA-N 0 0 347.349 4.524 50 0 EJAARN Cc1ccc2c(CNc3cc(Cl)ccc3F)cc(=O)oc2c1C ZINC000012813297 211463925 /nfs/dbraw/zinc/46/39/25/211463925.db2.gz JJVGMQQXXNWMPU-UHFFFAOYSA-N 0 0 331.774 4.814 50 0 EJAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(Cl)cc1C ZINC000012794033 211458329 /nfs/dbraw/zinc/45/83/29/211458329.db2.gz KPJKZVNRXLQRDR-UHFFFAOYSA-N 0 0 347.890 4.689 50 0 EJAARN CN(Cc1ccccc1C(F)(F)F)C(=O)Nc1ccccc1F ZINC000012735773 211441861 /nfs/dbraw/zinc/44/18/61/211441861.db2.gz LILJHPOOQHBEIQ-UHFFFAOYSA-N 0 0 326.293 4.508 50 0 EJAARN Cc1sc(NC(=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1 ZINC000012783008 211454931 /nfs/dbraw/zinc/45/49/31/211454931.db2.gz FNSDKBIHJVXGDU-UHFFFAOYSA-N 0 0 348.349 4.788 50 0 EJAARN CCCn1c(=O)c2ccccc2nc1S[C@H](C)c1ccc(F)cc1 ZINC000012772941 211452229 /nfs/dbraw/zinc/45/22/29/211452229.db2.gz SWOODINMWBYBAU-CYBMUJFWSA-N 0 0 342.439 4.799 50 0 EJAARN CCC(CC)c1nnc(NC(=O)c2cccc3ccccc32)s1 ZINC000012775951 211452020 /nfs/dbraw/zinc/45/20/20/211452020.db2.gz QVZBQRLHUSMNBP-UHFFFAOYSA-N 0 0 325.437 4.847 50 0 EJAARN COc1ccc2cc([C@H](C)C(=O)N(C)Cc3ccccc3)ccc2c1 ZINC000012773328 211451970 /nfs/dbraw/zinc/45/19/70/211451970.db2.gz DZSKFGVLBATSQO-INIZCTEOSA-N 0 0 333.431 4.611 50 0 EJAARN COc1ccccc1-c1csc(-c2c(C)nc3sccn32)n1 ZINC000012564392 211411607 /nfs/dbraw/zinc/41/16/07/211411607.db2.gz WQFQGLPCZBYPJP-UHFFFAOYSA-N 0 0 327.434 4.503 50 0 EJAARN C[C@H](Nc1ncnc2sccc21)c1nc2ccccc2n1C(F)F ZINC000012525592 211398887 /nfs/dbraw/zinc/39/88/87/211398887.db2.gz XPEZRRKAKDDRPH-VIFPVBQESA-N 0 0 345.378 4.609 50 0 EJAARN Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cnn1-c1ccccc1 ZINC000012510237 211394493 /nfs/dbraw/zinc/39/44/93/211394493.db2.gz IFYDYJYTKIRMQO-UHFFFAOYSA-N 0 0 346.217 4.740 50 0 EJAARN CC(=O)Nc1cc(C(=O)Nc2ccccc2SC(C)C)ccc1F ZINC000089891051 217873275 /nfs/dbraw/zinc/87/32/75/217873275.db2.gz MWTPXTXOFDLZGP-UHFFFAOYSA-N 0 0 346.427 4.537 50 0 EJAARN Cc1cc(SCC(=O)N[C@@H](C)c2ccccc2)nc2ccccc12 ZINC000012418200 211374848 /nfs/dbraw/zinc/37/48/48/211374848.db2.gz RRJPZCNTFHHLPE-HNNXBMFYSA-N 0 0 336.460 4.513 50 0 EJAARN CCOc1ccc(-c2cc(-c3nc(-c4cccc(C)c4)no3)n[nH]2)cc1 ZINC000012415142 211373483 /nfs/dbraw/zinc/37/34/83/211373483.db2.gz FQJXRJSXNABUSE-UHFFFAOYSA-N 0 0 346.390 4.501 50 0 EJAARN O=C([O-])[C@@H](c1c2ccccc2[nH]c1-c1ccccc1)[NH+]1CCCCCC1 ZINC000012407725 211370295 /nfs/dbraw/zinc/37/02/95/211370295.db2.gz UTWLOFXKVCTXPO-OAQYLSRUSA-N 0 0 348.446 4.837 50 0 EJAARN COc1ccccc1N(CC1CC1)C(=O)Nc1cccc(Cl)c1 ZINC000012391494 211366004 /nfs/dbraw/zinc/36/60/04/211366004.db2.gz JQJNRPAQTBULLM-UHFFFAOYSA-N 0 0 330.815 4.797 50 0 EJAARN C[C@H](CCc1ccccc1)[NH2+]Cc1ccc(-c2cccc(C(=O)[O-])c2)o1 ZINC000012383462 211362887 /nfs/dbraw/zinc/36/28/87/211362887.db2.gz LRBJHAKGYIYZHC-MRXNPFEDSA-N 0 0 349.430 4.756 50 0 EJAARN CCOc1cccc2sc(NC(=O)Cc3ccc(Cl)cc3)nc21 ZINC000012347642 211353544 /nfs/dbraw/zinc/35/35/44/211353544.db2.gz YMIQLYJNQHCXKG-UHFFFAOYSA-N 0 0 346.839 4.530 50 0 EJAARN CC[C@H](C(=O)OCc1cc(-c2cccs2)on1)c1ccccc1 ZINC000012236732 211328526 /nfs/dbraw/zinc/32/85/26/211328526.db2.gz WCZFNPAVQJCKMD-HNNXBMFYSA-N 0 0 327.405 4.640 50 0 EJAARN Cc1oc(-c2ccsc2)nc1CN1CCC[C@@H]1c1nccs1 ZINC000012303910 211338952 /nfs/dbraw/zinc/33/89/52/211338952.db2.gz QAIOYSVAMAGJPX-CQSZACIVSA-N 0 0 331.466 4.505 50 0 EJAARN COc1cccc(-c2nnc(SCc3ccccc3Cl)o2)c1 ZINC000012178918 211311169 /nfs/dbraw/zinc/31/11/69/211311169.db2.gz KJGCWMKREXISSZ-UHFFFAOYSA-N 0 0 332.812 4.691 50 0 EJAARN CC(C)c1ccc(C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1 ZINC000012138261 211302713 /nfs/dbraw/zinc/30/27/13/211302713.db2.gz ZRMLDWDEUAHRFP-UHFFFAOYSA-N 0 0 338.451 4.591 50 0 EJAARN CCOc1c(Cl)cccc1NC(=O)c1ccc(OC(C)C)cc1 ZINC000012137921 211302277 /nfs/dbraw/zinc/30/22/77/211302277.db2.gz ZLGHKZUYDDFBHI-UHFFFAOYSA-N 0 0 333.815 4.778 50 0 EJAARN Cc1ccc(F)c(C(=O)N2CCCC[C@H]2CCc2cccs2)c1F ZINC000091254741 217987017 /nfs/dbraw/zinc/98/70/17/217987017.db2.gz PEHCQQSDAKQKTQ-AWEZNQCLSA-N 0 0 349.446 4.962 50 0 EJAARN O=C(c1cc(F)ccc1F)[C@H]1CCCN(Cc2cccc(Cl)c2)C1 ZINC000012001392 211277868 /nfs/dbraw/zinc/27/78/68/211277868.db2.gz VDAPBQZURYOZHE-AWEZNQCLSA-N 0 0 349.808 4.713 50 0 EJAARN Cc1cc(NC(=O)C(c2ccccc2)c2ccccc2)n(C(C)C)n1 ZINC000011695178 211238866 /nfs/dbraw/zinc/23/88/66/211238866.db2.gz GFCRUZRMTYKIMQ-UHFFFAOYSA-N 0 0 333.435 4.543 50 0 EJAARN CCCCCOc1ccc(C(=O)Nc2cc(C)nn2C(C)C)cc1 ZINC000011695177 211238327 /nfs/dbraw/zinc/23/83/27/211238327.db2.gz BMIMXCKEHAEXEO-UHFFFAOYSA-N 0 0 329.444 4.594 50 0 EJAARN Cc1cc(C(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)c(C)o1 ZINC000011690067 211233193 /nfs/dbraw/zinc/23/31/93/211233193.db2.gz FLBXMEKCAUGVMH-UHFFFAOYSA-N 0 0 346.839 4.849 50 0 EJAARN CC(C)c1ccccc1NCC(=O)Nc1ccccc1Br ZINC000011621561 211227485 /nfs/dbraw/zinc/22/74/85/211227485.db2.gz XXPKRLGQMUQCMN-UHFFFAOYSA-N 0 0 347.256 4.623 50 0 EJAARN O=C(CNc1ccccc1-c1ccccc1)Nc1cc(F)cc(F)c1 ZINC000011619176 211226788 /nfs/dbraw/zinc/22/67/88/211226788.db2.gz SIZBSVJTDDOPAN-UHFFFAOYSA-N 0 0 338.357 4.682 50 0 EJAARN O=C(CNc1ccccc1-c1ccccc1)Nc1ccc(F)c(F)c1 ZINC000011618645 211226643 /nfs/dbraw/zinc/22/66/43/211226643.db2.gz YNMCGVXHZQTHQH-UHFFFAOYSA-N 0 0 338.357 4.682 50 0 EJAARN O=C(Nc1ccc(SCc2cccnc2)cc1)c1ccc(F)cc1 ZINC000011596757 211224974 /nfs/dbraw/zinc/22/49/74/211224974.db2.gz BWQLADHOOYKSRH-UHFFFAOYSA-N 0 0 338.407 4.765 50 0 EJAARN CSc1cccc(CN(C)C(=O)c2ccc([C@@H]3CCCO3)s2)c1 ZINC000091914713 218088237 /nfs/dbraw/zinc/08/82/37/218088237.db2.gz BDIFJSSTJOXYJZ-HNNXBMFYSA-N 0 0 347.505 4.594 50 0 EJAARN COc1ccc(NC(=O)[C@@H](Sc2ccc(F)cc2)C(C)C)cc1 ZINC000011321741 211212053 /nfs/dbraw/zinc/21/20/53/211212053.db2.gz OTDKHYLROKJRCD-KRWDZBQOSA-N 0 0 333.428 4.590 50 0 EJAARN C/C=C/C=C/C(=O)Nc1ccc(OC)c(Oc2ccc(OC)cc2)c1 ZINC000011292554 211210053 /nfs/dbraw/zinc/21/00/53/211210053.db2.gz YBJRATXMQDIUFM-YTXTXJHMSA-N 0 0 339.391 4.567 50 0 EJAARN O=C(C[C@H]1C=CCC1)Nc1nc2c(ccc(Cl)c2Cl)s1 ZINC000011378233 211214878 /nfs/dbraw/zinc/21/48/78/211214878.db2.gz LMLWKWSIRRKMKT-QMMMGPOBSA-N 0 0 327.236 4.898 50 0 EJAARN O=C(Nc1ccc(F)c(F)c1F)c1occc1COc1ccccc1 ZINC000011370649 211213957 /nfs/dbraw/zinc/21/39/57/211213957.db2.gz SKQIHJKHMLFXJP-UHFFFAOYSA-N 0 0 347.292 4.528 50 0 EJAARN O=C1c2ccccc2N[C@@H](c2ccc(Cl)s2)N1CC(F)(F)F ZINC000011036290 211202597 /nfs/dbraw/zinc/20/25/97/211202597.db2.gz WBWZZMJRWXATDI-GFCCVEGCSA-N 0 0 346.761 4.530 50 0 EJAARN C[C@@H]1CCN(C(=O)Cc2c[nH]c3ccccc23)c2ccccc2S1 ZINC000011055853 211201916 /nfs/dbraw/zinc/20/19/16/211201916.db2.gz QVLUETZCAVCHNM-CQSZACIVSA-N 0 0 336.460 4.628 50 0 EJAARN Oc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccs2)c1 ZINC000011024035 211201060 /nfs/dbraw/zinc/20/10/60/211201060.db2.gz OVPLERFNBCIBAQ-FXAWDEMLSA-N 0 0 348.427 4.696 50 0 EJAARN CCOc1ccc([C@H](C)NC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000010977872 211198132 /nfs/dbraw/zinc/19/81/32/211198132.db2.gz HIDOLAFXAJRLNY-LBPRGKRZSA-N 0 0 337.341 4.595 50 0 EJAARN CSCc1c2ccccc2oc1C(=O)N1CCc2sccc2C1 ZINC000010923009 211196733 /nfs/dbraw/zinc/19/67/33/211196733.db2.gz MTFPELXESIYBLA-UHFFFAOYSA-N 0 0 343.473 4.556 50 0 EJAARN Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](c2ccccc2)C2CC2)c1 ZINC000011207450 211207367 /nfs/dbraw/zinc/20/73/67/211207367.db2.gz AILLTVUAHVLTBV-QFIPXVFZSA-N 0 0 337.463 4.765 50 0 EJAARN Cc1sc2ncnc(NCc3coc(-c4cccs4)n3)c2c1C ZINC000011168785 211206888 /nfs/dbraw/zinc/20/68/88/211206888.db2.gz KLSDPJKQRLLSOD-UHFFFAOYSA-N 0 0 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CCc1ncc(CN[C@H](c2cccnc2)c2cc(C)cc(C)c2)s1 ZINC000095409414 218345186 /nfs/dbraw/zinc/34/51/86/218345186.db2.gz MCUZICQBRVGUBL-HXUWFJFHSA-N 0 0 337.492 4.597 50 0 EJAARN CC[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(OC)cc1 ZINC000008718992 210990690 /nfs/dbraw/zinc/99/06/90/210990690.db2.gz RKGQGMMDHOXIEZ-INIZCTEOSA-N 0 0 337.341 4.595 50 0 EJAARN CC(C)CC(=O)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1 ZINC000008586520 210970550 /nfs/dbraw/zinc/97/05/50/210970550.db2.gz XRVCJCOLUJJCIV-UHFFFAOYSA-N 0 0 327.815 4.868 50 0 EJAARN Cc1nnc([C@@H](C)SCc2csc(-c3ccc(C)cc3)n2)o1 ZINC000095412876 218350614 /nfs/dbraw/zinc/35/06/14/218350614.db2.gz VCVPXCKJGFJGCY-LLVKDONJSA-N 0 0 331.466 4.804 50 0 EJAARN Cc1cccc(-c2nc3nc(C)cc(N[C@@H](C)c4ccccc4)n3n2)c1 ZINC000008609639 210973008 /nfs/dbraw/zinc/97/30/08/210973008.db2.gz SSFDDVJJYPFYED-INIZCTEOSA-N 0 0 343.434 4.581 50 0 EJAARN CN(c1ncnc2onc(-c3cccc(Cl)c3)c21)C1CCCCC1 ZINC000008603554 210972365 /nfs/dbraw/zinc/97/23/65/210972365.db2.gz RYIRKDPMGRHXCT-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/84/78/71/210847871.db2.gz BNYRSVIEHTVLEI-UHFFFAOYSA-N 0 0 335.403 4.890 50 0 EJAARN O=C(OCc1ccccc1F)c1ncc(Cl)c(Cl)c1Cl ZINC000007781244 210846480 /nfs/dbraw/zinc/84/64/80/210846480.db2.gz XHGZKHXRWISHLD-UHFFFAOYSA-N 0 0 334.561 4.538 50 0 EJAARN C[C@H](Sc1ccccc1F)C(=O)N[C@H]1CCCc2ccccc21 ZINC000007716074 210837449 /nfs/dbraw/zinc/83/74/49/210837449.db2.gz ITKOPBKEHAWEMB-GUYCJALGSA-N 0 0 329.440 4.500 50 0 EJAARN Cc1cccc2sc(N(Cc3ccccc3)C(=O)C3CCC3)nc21 ZINC000007724329 210839075 /nfs/dbraw/zinc/83/90/75/210839075.db2.gz WRZMOCXECMYMCS-UHFFFAOYSA-N 0 0 336.460 4.938 50 0 EJAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc3cnccc32)c1 ZINC000007655373 210827607 /nfs/dbraw/zinc/82/76/07/210827607.db2.gz MPBYNHAPVXDMGI-UHFFFAOYSA-N 0 0 334.419 4.684 50 0 EJAARN COc1ccc(C(=O)N(CC(C)C)c2nc3ccccc3s2)cc1 ZINC000007643585 210825035 /nfs/dbraw/zinc/82/50/35/210825035.db2.gz BJSWBKYLBFQVFT-UHFFFAOYSA-N 0 0 340.448 4.608 50 0 EJAARN COc1ccccc1-c1cnn2c1nc(C)cc2Nc1cccc(C)c1 ZINC000007572483 210815582 /nfs/dbraw/zinc/81/55/82/210815582.db2.gz JQDSBEDWABLHAP-UHFFFAOYSA-N 0 0 344.418 4.765 50 0 EJAARN CC[C@H](O)c1nc2ccccc2n1CCCCOc1cccc(C)c1 ZINC000007548359 210814138 /nfs/dbraw/zinc/81/41/38/210814138.db2.gz GLUOFHVIOCUOLV-FQEVSTJZSA-N 0 0 338.451 4.647 50 0 EJAARN Cc1nc(COC(=O)Cc2coc3ccc4ccccc4c23)cs1 ZINC000007430730 210800102 /nfs/dbraw/zinc/80/01/02/210800102.db2.gz YWURQMYMESXCAM-UHFFFAOYSA-N 0 0 337.400 4.637 50 0 EJAARN Brc1ccc(NCc2ncc(-c3ccccc3)o2)cc1 ZINC000007277037 210779379 /nfs/dbraw/zinc/77/93/79/210779379.db2.gz IIOKWXNRTOOSPN-UHFFFAOYSA-N 0 0 329.197 4.716 50 0 EJAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cc(Cl)ccc1F ZINC000007117281 210760856 /nfs/dbraw/zinc/76/08/56/210760856.db2.gz ZNUPIZUSWHRDEW-JTQLQIEISA-N 0 0 348.830 4.922 50 0 EJAARN Cc1nc2sc(-c3ccccc3)cc2c(SC[C@H]2CCCO2)n1 ZINC000007111326 210760308 /nfs/dbraw/zinc/76/03/08/210760308.db2.gz VSGCLXAVICPYQB-CQSZACIVSA-N 0 0 342.489 4.938 50 0 EJAARN Cn1c(SCc2ccc(Cl)cc2)nnc1-c1ccc(F)cc1 ZINC000006913819 210742433 /nfs/dbraw/zinc/74/24/33/210742433.db2.gz RENCUPQIPLETEZ-UHFFFAOYSA-N 0 0 333.819 4.567 50 0 EJAARN O=C(Nc1c(Cl)cccc1Cl)c1cc(-c2cccc(O)c2)on1 ZINC000006818567 210722665 /nfs/dbraw/zinc/72/26/65/210722665.db2.gz XXTHHORAYYACNN-UHFFFAOYSA-N 0 0 349.173 4.606 50 0 EJAARN CCCC[C@]1(CCN(Cc2ccco2)C(C)=O)CCOC(C)(C)C1 ZINC000096115749 218610784 /nfs/dbraw/zinc/61/07/84/218610784.db2.gz STCTTYITVSZJQX-FQEVSTJZSA-N 0 0 335.488 4.784 50 0 biogenic EJAARN O=C(NCc1cccs1)c1sc2cccc(F)c2c1Cl ZINC000006861920 210730327 /nfs/dbraw/zinc/73/03/27/210730327.db2.gz GFSQOUYZAYUEPP-UHFFFAOYSA-N 0 0 325.817 4.685 50 0 EJAARN Clc1ccc(COc2ccccc2CNCc2ccccn2)cc1 ZINC000006701321 210685294 /nfs/dbraw/zinc/68/52/94/210685294.db2.gz AYPTWCHUPZCUEE-UHFFFAOYSA-N 0 0 338.838 4.604 50 0 EJAARN CCCOc1c(Cl)cc(C(=O)Nc2ccccc2F)cc1OC ZINC000006636244 210667008 /nfs/dbraw/zinc/66/70/08/210667008.db2.gz UCWKIKLWVOSBHY-UHFFFAOYSA-N 0 0 337.778 4.529 50 0 EJAARN Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000006628352 210665290 /nfs/dbraw/zinc/66/52/90/210665290.db2.gz KJZRXOUARRCTBT-LBPRGKRZSA-N 0 0 340.810 4.794 50 0 EJAARN CC(C)(C)c1[nH]c2c(cccc2Nc2ccc(C=O)cc2F)c1C=O ZINC000006658222 210672046 /nfs/dbraw/zinc/67/20/46/210672046.db2.gz VVUOQSDHGDWENN-UHFFFAOYSA-N 0 0 338.382 4.973 50 0 EJAARN COc1ccc2oc(C(=O)N(C)Cc3ccccc3Cl)c(C)c2c1 ZINC000006587988 210659651 /nfs/dbraw/zinc/65/96/51/210659651.db2.gz KUVFJZLZOLSJRP-UHFFFAOYSA-N 0 0 343.810 4.675 50 0 EJAARN O=C(Oc1ccc2c(c1)OCO2)c1sc2ccccc2c1Cl ZINC000006508575 210643563 /nfs/dbraw/zinc/64/35/63/210643563.db2.gz PAWMZOBIOXGUOD-UHFFFAOYSA-N 0 0 332.764 4.503 50 0 EJAARN COc1ccccc1C(=O)COc1cccc(Oc2ccccc2)c1 ZINC000006507235 210643072 /nfs/dbraw/zinc/64/30/72/210643072.db2.gz ZLHOMVOAIYEOAE-UHFFFAOYSA-N 0 0 334.371 4.749 50 0 EJAARN Cc1cccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1C ZINC000006342095 210621555 /nfs/dbraw/zinc/62/15/55/210621555.db2.gz WOKNHVQSHJFVRN-UHFFFAOYSA-N 0 0 326.396 4.818 50 0 EJAARN O=C(Cc1cccs1)N[C@H]1CCCc2c3cccc(Cl)c3[nH]c21 ZINC000096230732 218707841 /nfs/dbraw/zinc/70/78/41/218707841.db2.gz YYSKNZBRJAGBJF-HNNXBMFYSA-N 0 0 344.867 4.619 50 0 EJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccnc1Cl ZINC000006254106 210606235 /nfs/dbraw/zinc/60/62/35/210606235.db2.gz NNCZPHOBVGAIQK-UHFFFAOYSA-N 0 0 348.189 4.604 50 0 EJAARN CC[C@@](CNC(=O)c1cc2ccccc2s1)(OC)c1ccccc1 ZINC000096391827 218748613 /nfs/dbraw/zinc/74/86/13/218748613.db2.gz XPSOXNDIXRFECG-FQEVSTJZSA-N 0 0 339.460 4.583 50 0 EJAARN CCc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 ZINC000012628638 207181241 /nfs/dbraw/zinc/18/12/41/207181241.db2.gz LSCNRTLDWHGEAB-FBRRREGBSA-N 0 0 345.446 4.502 50 0 EJAARN C[C@H]1CN(C(=O)c2cnc(-c3ccco3)s2)c2ccccc2S1 ZINC000176136170 207193300 /nfs/dbraw/zinc/19/33/00/207193300.db2.gz NVAOKDUFYUJRNW-NSHDSACASA-N 0 0 342.445 4.544 50 0 EJAARN CC(C)(C)c1csc(NC(=O)c2ccccc2C(F)(F)F)n1 ZINC000005937412 210562937 /nfs/dbraw/zinc/56/29/37/210562937.db2.gz DMMZWVXOZCUGOF-UHFFFAOYSA-N 0 0 328.359 4.712 50 0 EJAARN Cc1c(C(=O)Nc2ccc(C)cc2Cl)cnn1-c1cccc(C)c1 ZINC000012858042 207252699 /nfs/dbraw/zinc/25/26/99/207252699.db2.gz ATEWOVMQHYEGBI-UHFFFAOYSA-N 0 0 339.826 4.703 50 0 EJAARN O=c1c2ccccc2nc(/C=C/c2cccs2)n1-c1ccccc1 ZINC000005875097 210551494 /nfs/dbraw/zinc/55/14/94/210551494.db2.gz ZVZWEMCVNWEQJK-OUKQBFOZSA-N 0 0 330.412 4.618 50 0 EJAARN Clc1ccc(N=C2NN=C(c3ccccc3)CS2)cc1Cl ZINC000005859393 210549202 /nfs/dbraw/zinc/54/92/02/210549202.db2.gz KIPMHRPHWZUGMI-UHFFFAOYSA-N 0 0 336.247 4.912 50 0 EJAARN Cc1ccc2c(CSc3nc4ccccc4[nH]3)cc(=O)oc2c1C ZINC000005628370 210503274 /nfs/dbraw/zinc/50/32/74/210503274.db2.gz CVSPZAZHMPSOBS-UHFFFAOYSA-N 0 0 336.416 4.578 50 0 EJAARN CCOc1ccccc1NC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000005464766 210469378 /nfs/dbraw/zinc/46/93/78/210469378.db2.gz YOLCPQIVHOBFLP-UHFFFAOYSA-N 0 0 331.415 4.934 50 0 EJAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)/C=C\c1ccc(F)cc1 ZINC000096875840 218895337 /nfs/dbraw/zinc/89/53/37/218895337.db2.gz GWEBMZOMWUNQHZ-SUIFULHWSA-N 0 0 340.423 4.668 50 0 EJAARN Cc1csc(/C(=C/c2cccs2)c2nc3ccccc3n2C)n1 ZINC000096891583 218896706 /nfs/dbraw/zinc/89/67/06/218896706.db2.gz NWDQTTHPLOKHFU-GXDHUFHOSA-N 0 0 337.473 4.989 50 0 EJAARN Cc1nc2c(-c3ccccc3)cnn2c(NCCc2ccccc2)c1C ZINC000005325172 210439826 /nfs/dbraw/zinc/43/98/26/210439826.db2.gz RLQJZDKBVBFBRL-UHFFFAOYSA-N 0 0 342.446 4.668 50 0 EJAARN CCCOc1cc(/C=C2\C(=O)Nc3cc(Cl)ccc32)ccc1OC ZINC000096662910 218886665 /nfs/dbraw/zinc/88/66/65/218886665.db2.gz BVHJEJHZDGOYJF-DHDCSXOGSA-N 0 0 343.810 4.630 50 0 EJAARN CC(C)c1ccccc1NS(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000096747816 218889274 /nfs/dbraw/zinc/88/92/74/218889274.db2.gz MQDANYCKBRZNMO-QXMHVHEDSA-N 0 0 335.856 4.876 50 0 EJAARN Cc1ccc2oc(=O)n(Cc3ccc(OCc4ccccc4)cc3)c2c1 ZINC000005234812 210418379 /nfs/dbraw/zinc/41/83/79/210418379.db2.gz VCTVUYOHXWBWPE-UHFFFAOYSA-N 0 0 345.398 4.530 50 0 EJAARN COC(=O)c1cc2oc3ccccc3c2n1Cc1ccccc1Cl ZINC000005135467 210398038 /nfs/dbraw/zinc/39/80/38/210398038.db2.gz ZKKJTIIMYZXZTJ-UHFFFAOYSA-N 0 0 339.778 4.876 50 0 EJAARN COC(=O)c1cc2oc3ccccc3c2n1Cc1cccc(Cl)c1 ZINC000005135469 210398684 /nfs/dbraw/zinc/39/86/84/210398684.db2.gz MNBIYSBJIQBBNQ-UHFFFAOYSA-N 0 0 339.778 4.876 50 0 EJAARN COc1cccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)c1OC(C)C ZINC000005128792 210396009 /nfs/dbraw/zinc/39/60/09/210396009.db2.gz VUDXUNNFDQBZMV-OQLLNIDSSA-N 0 0 343.810 4.629 50 0 EJAARN CCc1ccc(/C=C2\CCn3c2nc2cc(Cl)ccc2c3=O)cc1 ZINC000005127544 210394512 /nfs/dbraw/zinc/39/45/12/210394512.db2.gz IGKABILJKJFAOY-RVDMUPIBSA-N 0 0 336.822 4.557 50 0 EJAARN Cc1cccc(-c2nnc(-c3ccc(NC(=O)c4ccco4)cc3)o2)c1 ZINC000005059867 210378182 /nfs/dbraw/zinc/37/81/82/210378182.db2.gz JEJCMLHRICIYGR-UHFFFAOYSA-N 0 0 345.358 4.557 50 0 EJAARN CC[C@@H](Cc1ccccc1)NC(=O)c1csc2c1CCCCC2 ZINC000005070423 210383947 /nfs/dbraw/zinc/38/39/47/210383947.db2.gz GJCMGZCMYFPVLJ-INIZCTEOSA-N 0 0 327.493 4.768 50 0 EJAARN O=C(NCCc1ccc(Cl)cc1)c1csc2c1CCCCC2 ZINC000005070312 210383837 /nfs/dbraw/zinc/38/38/37/210383837.db2.gz VNGHKOQHKKEDOM-UHFFFAOYSA-N 0 0 333.884 4.643 50 0 EJAARN Cc1cccc(OCC(=O)Nc2ccc3c(c2)-c2ccccc2C3)c1 ZINC000005069210 210383347 /nfs/dbraw/zinc/38/33/47/210383347.db2.gz BNOZSOBINZCIOV-UHFFFAOYSA-N 0 0 329.399 4.584 50 0 EJAARN O=C(N[C@@H]1CCCc2ccccc21)c1csc2c1CCCCC2 ZINC000005070377 210383159 /nfs/dbraw/zinc/38/31/59/210383159.db2.gz GWSUNEFJLQKREO-GOSISDBHSA-N 0 0 325.477 4.824 50 0 EJAARN CCOc1cccc(/C=C/c2ccc3ccccc3n2)c1OC(C)=O ZINC000005065404 210380860 /nfs/dbraw/zinc/38/08/60/210380860.db2.gz FQSDQHJDIJZSAI-WYMLVPIESA-N 0 0 333.387 4.729 50 0 EJAARN Cc1cccc2c1-c1sc(C(=O)N[C@@H]3CCCC[C@@H]3C)cc1CO2 ZINC000005049932 210374008 /nfs/dbraw/zinc/37/40/08/210374008.db2.gz ZNKCXCVZSVPUES-SWLSCSKDSA-N 0 0 341.476 4.924 50 0 EJAARN COc1ccc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)cc1 ZINC000005034719 210370365 /nfs/dbraw/zinc/37/03/65/210370365.db2.gz DDNOEFXIWKPASX-UHFFFAOYSA-N 0 0 344.370 4.756 50 0 EJAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nc2ccccc2o1 ZINC000005034215 210370056 /nfs/dbraw/zinc/37/00/56/210370056.db2.gz MDIJMLMDQUJOQP-LBPRGKRZSA-N 0 0 336.416 4.981 50 0 EJAARN O=C1OC(c2ccccc2)=N/C1=C/c1ccc(-c2ccccc2Cl)o1 ZINC000005047832 210374586 /nfs/dbraw/zinc/37/45/86/210374586.db2.gz GKYYFQIATFDWIR-SFQUDFHCSA-N 0 0 349.773 4.945 50 0 EJAARN CC[C@@H](C)[C@@H]1COC(c2cccn2Cc2ccc(F)cc2Cl)=N1 ZINC000004970566 210344044 /nfs/dbraw/zinc/34/40/44/210344044.db2.gz OXUPTWGXKRMXJW-WBMJQRKESA-N 0 0 334.822 4.520 50 0 EJAARN Cc1nc(CSCc2cccc(Br)c2)sc1C ZINC000097166053 218981883 /nfs/dbraw/zinc/98/18/83/218981883.db2.gz FLXHOVPQMZMHIY-UHFFFAOYSA-N 0 0 328.300 4.956 50 0 EJAARN O=C1c2ccccc2[C@@H](Nc2ccccc2F)N1Cc1ccccc1 ZINC000004960493 210340405 /nfs/dbraw/zinc/34/04/05/210340405.db2.gz JUGJETMTEODHFS-FQEVSTJZSA-N 0 0 332.378 4.592 50 0 EJAARN O=c1nc(C(F)(F)F)cc(C=Cc2ccc(Cl)cc2Cl)[nH]1 ZINC000004954956 210339135 /nfs/dbraw/zinc/33/91/35/210339135.db2.gz MMOUYBCDJMEUFG-DUXPYHPUSA-N 0 0 335.112 4.678 50 0 EJAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(F)cc1 ZINC000004956943 210339197 /nfs/dbraw/zinc/33/91/97/210339197.db2.gz KWVMEVWMIONBBS-UHFFFAOYSA-N 0 0 332.334 4.886 50 0 EJAARN O=C(CSc1cc(Cl)ccc1Cl)Nc1ccccc1F ZINC000004950327 210337991 /nfs/dbraw/zinc/33/79/91/210337991.db2.gz FRSKFMNRTGCQIY-UHFFFAOYSA-N 0 0 330.211 4.863 50 0 EJAARN Cc1occc1-c1nnc2sc(-c3cccc4ccccc43)nn21 ZINC000004938943 210330046 /nfs/dbraw/zinc/33/00/46/210330046.db2.gz PDROOZMSGJIXAT-UHFFFAOYSA-N 0 0 332.388 4.574 50 0 EJAARN Cc1ccc2c(CC(=O)Nc3ccc(OC(F)(F)F)cc3)coc2c1 ZINC000003524939 208566319 /nfs/dbraw/zinc/56/63/19/208566319.db2.gz OIQSSVBCCFIMBQ-UHFFFAOYSA-N 0 0 349.308 4.821 50 0 EJAARN CC(=O)c1c(C)n(CCc2ccc(Cl)cc2)c2ccc(O)cc21 ZINC000000034482 208553425 /nfs/dbraw/zinc/55/34/25/208553425.db2.gz OQBSIPJVURNDFA-UHFFFAOYSA-N 0 0 327.811 4.754 50 0 EJAARN O=C(CCSc1ccccc1)Nc1ccccc1C(F)(F)F ZINC000000036568 208553961 /nfs/dbraw/zinc/55/39/61/208553961.db2.gz SPDJNQMRVRALMM-UHFFFAOYSA-N 0 0 325.355 4.826 50 0 EJAARN CCOC(=O)c1c2c(sc1NC(=O)C1CCCCC1)C[C@@H](C)CC2 ZINC000000037377 208553994 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/nfs/dbraw/zinc/32/13/26/210321326.db2.gz PKTKDRRDWVGQMQ-KRWDZBQOSA-N 0 0 346.427 4.504 50 0 EJAARN Cc1cc(Cl)c(OCCN2CCC[C@@H](C)C2)c(Br)c1 ZINC000004913696 210320780 /nfs/dbraw/zinc/32/07/80/210320780.db2.gz QENZYTWVRBKUJJ-LLVKDONJSA-N 0 0 346.696 4.522 50 0 EJAARN CCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccco1)C2 ZINC000004912820 210320723 /nfs/dbraw/zinc/32/07/23/210320723.db2.gz HDXCGSWSNVXPSO-CQSZACIVSA-N 0 0 343.423 4.566 50 0 EJAARN CC[C@H](Oc1ccccc1)C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000004903267 210317411 /nfs/dbraw/zinc/31/74/11/210317411.db2.gz XTIBUUCCWIKJEO-ZMOODUGTSA-N 0 0 341.495 4.565 50 0 EJAARN O=C1O[C@@](Oc2ccccc2)(c2ccc(Cl)cc2)c2ccccc21 ZINC000004898990 210316066 /nfs/dbraw/zinc/31/60/66/210316066.db2.gz PCBLJZDVXRAMGE-FQEVSTJZSA-N 0 0 336.774 4.791 50 0 EJAARN O=S(=O)(/C=C/c1ccccc1)Nc1ccc(-c2ccccc2)cc1 ZINC000007054017 208577626 /nfs/dbraw/zinc/57/76/26/208577626.db2.gz KAAUPBCURGPPNH-FOCLMDBBSA-N 0 0 335.428 4.766 50 0 EJAARN 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ZINC000001390803 135654943 /nfs/dbraw/zinc/65/49/43/135654943.db2.gz UTOITBDHLVCDJB-UHFFFAOYSA-N 0 0 338.354 4.850 50 0 EJAARN CCCc1cc(N2CCCCC2)n2nc(C)c(-c3ccccc3)c2n1 ZINC000002349665 135657305 /nfs/dbraw/zinc/65/73/05/135657305.db2.gz GALILXXDFJXMRY-UHFFFAOYSA-N 0 0 334.467 4.648 50 0 EJAARN O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccccc1F ZINC000002865868 135658862 /nfs/dbraw/zinc/65/88/62/135658862.db2.gz APNQSINNQYFMLU-UHFFFAOYSA-N 0 0 332.806 4.722 50 0 EJAARN CC[C@@H]1CN(C(=O)Nc2cccc(C)c2)c2cc(Cl)ccc2O1 ZINC000006843026 135677792 /nfs/dbraw/zinc/67/77/92/135677792.db2.gz IINYLHAXXOIWSD-OAHLLOKOSA-N 0 0 330.815 4.858 50 0 EJAARN Cc1cccc(C(C)C)c1NC(=O)CN1CCSc2ccccc21 ZINC000007493332 135680270 /nfs/dbraw/zinc/68/02/70/135680270.db2.gz MAUGYLSHRYWJRB-UHFFFAOYSA-N 0 0 340.492 4.669 50 0 EJAARN COCc1ccccc1N[C@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 ZINC000123541962 222294575 /nfs/dbraw/zinc/29/45/75/222294575.db2.gz LKIXYQFHMDIAPF-OAHLLOKOSA-N 0 0 337.423 4.673 50 0 EJAARN 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DBRBLXYASZLNEH-UHFFFAOYSA-N 0 0 339.464 4.691 50 0 EJAARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC(C)=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000254046652 534783231 /nfs/dbraw/zinc/78/32/31/534783231.db2.gz IQGZWLYDESGLID-OAWXYTOASA-N 0 0 330.512 4.905 50 0 EJAARN C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccco1 ZINC000000075488 525276139 /nfs/dbraw/zinc/27/61/39/525276139.db2.gz YGELMAGAUGHTDT-CRAIPNDOSA-N 0 0 332.403 4.872 50 0 EJAARN C[C@H](N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ncc(C(C)(C)C)o1 ZINC000192758371 525543388 /nfs/dbraw/zinc/54/33/88/525543388.db2.gz YUAZECNHUZQIIG-BQFCYCMXSA-N 0 0 342.483 4.791 50 0 EJAARN Cc1cnc(CN[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)o1 ZINC000390833008 526042151 /nfs/dbraw/zinc/04/21/51/526042151.db2.gz ANRJXCVGZBGFJH-OAHLLOKOSA-N 0 0 344.764 4.896 50 0 EJAARN Cc1onc(-c2ccc(F)cc2F)c1C(=O)NCCC1=CCCCC1 ZINC000035536235 526844436 /nfs/dbraw/zinc/84/44/36/526844436.db2.gz XWFYPIHFWNXYMY-UHFFFAOYSA-N 0 0 346.377 4.549 50 0 EJAARN CCCC(=O)Nc1cccc(NC(=O)c2nccc3ccccc32)c1C ZINC000132925958 527966628 /nfs/dbraw/zinc/96/66/28/527966628.db2.gz LIWRDOVNOWDRIW-UHFFFAOYSA-N 0 0 347.418 4.534 50 0 EJAARN CCN(C(=O)c1csc(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000132309071 529101872 /nfs/dbraw/zinc/10/18/72/529101872.db2.gz UWAQZJXFHUZXFC-UHFFFAOYSA-N 0 0 326.396 4.616 50 0 EJAARN CC(C)c1cc([C@H]2CCCN2Cc2cncn2C2CCCCC2)no1 ZINC000244584337 535370169 /nfs/dbraw/zinc/37/01/69/535370169.db2.gz CXMFVFXMQKAYMR-LJQANCHMSA-N 0 0 342.487 4.837 50 0 EJAARN CCOc1ccccc1-c1nc(-c2c(C)[nH]c3ccccc32)cs1 ZINC000241720873 535481479 /nfs/dbraw/zinc/48/14/79/535481479.db2.gz QSXXFFKHVMPVRL-UHFFFAOYSA-N 0 0 334.444 5.666 50 0 EJAARN COc1cc(C)c(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)c(C)c1C ZINC000253420091 536604066 /nfs/dbraw/zinc/60/40/66/536604066.db2.gz LYBLSVDSRNHLDD-CVEARBPZSA-N 0 0 345.389 4.641 50 0 EJAARN COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccs2)cc1 ZINC000007883915 536666735 /nfs/dbraw/zinc/66/67/35/536666735.db2.gz WADFJMZDIWTMQV-GOSISDBHSA-N 0 0 336.416 4.528 50 0 EJAARN COc1ccccc1-c1ccc(-c2ccc(F)c3cccnc32)nn1 ZINC000215422819 536970416 /nfs/dbraw/zinc/97/04/16/536970416.db2.gz CBGLWUHATTZUOF-UHFFFAOYSA-N 0 0 331.350 4.507 50 0 EJAARN COc1ccccc1C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000000858814 537001960 /nfs/dbraw/zinc/00/19/60/537001960.db2.gz YTIYXMBBCRMECQ-UHFFFAOYSA-N 0 0 344.842 4.591 50 0 EJAARN COc1ccccc1[C@@H]1N=C(c2ccccc2)[C@@H]2[C@H](c3ccccc3)N21 ZINC000229984427 537105378 /nfs/dbraw/zinc/10/53/78/537105378.db2.gz ZYNSVKVRUBHSMG-GHOCLPIOSA-N 0 0 340.426 4.622 50 0 EJAARN CC(C)(C)OC(=O)N1CCC[C@H](c2ccc(Br)cc2)C1 ZINC000065731431 563861204 /nfs/dbraw/zinc/86/12/04/563861204.db2.gz WRSHWNCUNYWQBB-ZDUSSCGKSA-N 0 0 340.261 4.564 50 0 EJAARN O=C(CCCc1ccccc1)Nc1ccc(Br)cc1F ZINC000000458462 564012644 /nfs/dbraw/zinc/01/26/44/564012644.db2.gz UCAVJOMYEITAPJ-UHFFFAOYSA-N 0 0 336.204 4.550 50 0 EJAARN C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Cc1cccs1 ZINC000045262425 564061275 /nfs/dbraw/zinc/06/12/75/564061275.db2.gz OYJMAGKEENTIDI-SNVBAGLBSA-N 0 0 328.264 4.817 50 0 EJAARN O=C(CCSc1ccc(Cl)cc1)Nc1cc(F)ccc1F ZINC000003265477 564058779 /nfs/dbraw/zinc/05/87/79/564058779.db2.gz NXWXOOXDRXYKMA-UHFFFAOYSA-N 0 0 327.783 4.739 50 0 EJAARN Fc1ccc([C@@H]2CCCN2Cc2ccc(Br)s2)cc1 ZINC000015837335 564076506 /nfs/dbraw/zinc/07/65/06/564076506.db2.gz VGIDDZCETXDTGM-AWEZNQCLSA-N 0 0 340.261 4.987 50 0 EJAARN C[C@@H](CCc1ccccc1)NC(=O)Nc1ccccc1Br ZINC000013746055 564111974 /nfs/dbraw/zinc/11/19/74/564111974.db2.gz RRKHOTHOPJEHFK-ZDUSSCGKSA-N 0 0 347.256 4.592 50 0 EJAARN Cc1c2ccccc2oc1C(=O)Nc1ccc(Br)cc1 ZINC000000267361 563269247 /nfs/dbraw/zinc/26/92/47/563269247.db2.gz DJAJBBVSSVMRCE-UHFFFAOYSA-N 0 0 330.181 4.756 50 0 EJAARN COc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000000440485 563313835 /nfs/dbraw/zinc/31/38/35/563313835.db2.gz PEOFXDVFEYOGNR-UHFFFAOYSA-N 0 0 330.598 4.908 50 0 EJAARN O=C1CSC(Cc2nc(-c3ccc(Cl)cc3Cl)cs2)=N1 ZINC000001395295 563386437 /nfs/dbraw/zinc/38/64/37/563386437.db2.gz PQSRFLUJPLJNLS-UHFFFAOYSA-N 0 0 343.260 4.870 50 0 EJAARN O=C(Cc1cccc(Br)c1)c1ccccc1C(F)(F)F ZINC000002393032 563431649 /nfs/dbraw/zinc/43/16/49/563431649.db2.gz WEPUGNFTQXIPJL-UHFFFAOYSA-N 0 0 343.142 4.893 50 0 EJAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1C ZINC000002886302 563461737 /nfs/dbraw/zinc/46/17/37/563461737.db2.gz YUNJTYAQFTYZGX-UHFFFAOYSA-N 0 0 344.263 4.719 50 0 EJAARN O=C(Nc1ccccc1)Nc1ccccc1NC(=O)Nc1ccccc1 ZINC000000028416 563211593 /nfs/dbraw/zinc/21/15/93/563211593.db2.gz JTFHVFVJOFNNCI-UHFFFAOYSA-N 0 0 346.390 4.975 50 0 EJAARN COc1ccccc1OCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000000038429 563212302 /nfs/dbraw/zinc/21/23/02/563212302.db2.gz VIBNTAIMLFRHAS-UHFFFAOYSA-N 0 0 349.386 4.505 50 0 EJAARN O=C(Nc1cccc2c(NC(=O)c3ccco3)cccc12)c1ccco1 ZINC000000038842 563212468 /nfs/dbraw/zinc/21/24/68/563212468.db2.gz WXUKCQPPNVZSQH-UHFFFAOYSA-N 0 0 346.342 4.530 50 0 EJAARN O=C([C@H](Sc1ccccc1)c1ccccc1)N1CCCCCC1 ZINC000000039001 563212529 /nfs/dbraw/zinc/21/25/29/563212529.db2.gz LVHBBFLSPULZSX-LJQANCHMSA-N 0 0 325.477 4.923 50 0 EJAARN Cc1cc(=O)oc2cc(OC(=O)c3ccc(C(C)(C)C)cc3)ccc12 ZINC000000045254 563213185 /nfs/dbraw/zinc/21/31/85/563213185.db2.gz GEEWFZIZCNGMKE-UHFFFAOYSA-N 0 0 336.387 4.618 50 0 biogenic,in-vitro EJAARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccccc1F ZINC000000072704 563216132 /nfs/dbraw/zinc/21/61/32/563216132.db2.gz GVVRUHOKCBAIKW-UHFFFAOYSA-N 0 0 331.350 4.621 50 0 EJAARN O=C(Nc1ccc(Cl)cc1Cl)c1cnccc1C(F)(F)F ZINC000000077350 563217238 /nfs/dbraw/zinc/21/72/38/563217238.db2.gz NWAHKFHEVPENAD-UHFFFAOYSA-N 0 0 335.112 4.660 50 0 EJAARN Cc1ccc(OCc2n[nH]c(=S)n2C2CCCCC2)c2c1CCC2 ZINC000000080996 563218484 /nfs/dbraw/zinc/21/84/84/563218484.db2.gz KUDQAAPHWVEDCR-UHFFFAOYSA-N 0 0 343.496 4.822 50 0 EJAARN Nc1ccc(-c2nnc(Nc3ccccc3C(F)(F)F)s2)cc1 ZINC000000081448 563218568 /nfs/dbraw/zinc/21/85/68/563218568.db2.gz IQXQCTIMZCFJIS-UHFFFAOYSA-N 0 0 336.342 4.550 50 0 EJAARN Cc1cccc(N(C(=O)Nc2ccccc2)C2=NC[C@@H](C)S2)c1 ZINC000000086419 563220408 /nfs/dbraw/zinc/22/04/08/563220408.db2.gz CKZXIQSIKPUGGJ-CQSZACIVSA-N 0 0 325.437 4.525 50 0 EJAARN COc1ccc(-c2csc3ncnc(N4CCC(C)CC4)c23)cc1 ZINC000000090128 563221831 /nfs/dbraw/zinc/22/18/31/563221831.db2.gz RBMDSCPHMSFBON-UHFFFAOYSA-N 0 0 339.464 4.603 50 0 EJAARN Cc1cc2c(cc1C)[C@H](c1ccc(OC(F)(F)F)cc1)CC(=O)N2 ZINC000000089741 563221851 /nfs/dbraw/zinc/22/18/51/563221851.db2.gz YQFPXBPNRMEFPL-AWEZNQCLSA-N 0 0 335.325 4.676 50 0 EJAARN Cc1cc2c(cc1C)[C@@H](c1ccc(F)c(Br)c1)CC(=O)N2 ZINC000000089726 563221864 /nfs/dbraw/zinc/22/18/64/563221864.db2.gz BCPRYJSLTJDXPG-GFCCVEGCSA-N 0 0 348.215 4.679 50 0 EJAARN Cc1cc2ncn(-c3ncnc4sc5c(c43)CCCC5)c2cc1C ZINC000000090273 563222129 /nfs/dbraw/zinc/22/21/29/563222129.db2.gz VJSRSMNDPLMVFR-UHFFFAOYSA-N 0 0 334.448 4.526 50 0 EJAARN Cc1ccccc1-c1nc2scc(-c3cccs3)c2c(=O)o1 ZINC000000090264 563222143 /nfs/dbraw/zinc/22/21/43/563222143.db2.gz ONMPGIHOJXCUFT-UHFFFAOYSA-N 0 0 325.414 4.953 50 0 EJAARN Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(F)cc2)cc1 ZINC000000104536 563226955 /nfs/dbraw/zinc/22/69/55/563226955.db2.gz JGIGOEMPBRCXLT-FQEVSTJZSA-N 0 0 332.378 4.905 50 0 EJAARN Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc(F)c2)cc1 ZINC000000104542 563227191 /nfs/dbraw/zinc/22/71/91/563227191.db2.gz AXRCKONAGUYKOX-FQEVSTJZSA-N 0 0 332.378 4.905 50 0 EJAARN Cc1ccc2c(c1)c1c3n2CCN(C(=O)c2ccccc2F)[C@@H]3CCC1 ZINC000000105629 563227690 /nfs/dbraw/zinc/22/76/90/563227690.db2.gz SREQSSNYTYQMGW-HXUWFJFHSA-N 0 0 348.421 4.622 50 0 EJAARN CC(C)(C)NC(=O)c1cc(-c2ccccc2)c(C(F)(F)F)s1 ZINC000000108686 563229062 /nfs/dbraw/zinc/22/90/62/563229062.db2.gz VNCDOHVYXCAGKL-UHFFFAOYSA-N 0 0 327.371 4.962 50 0 EJAARN COc1ccc(OCc2nc(-c3ccc(F)c(F)c3)cs2)cc1 ZINC000000113833 563230665 /nfs/dbraw/zinc/23/06/65/563230665.db2.gz USLOOPUHVUCYFY-UHFFFAOYSA-N 0 0 333.359 4.676 50 0 EJAARN CCC[C@H]1C[C@@](C)(c2csc(Nc3ccc(C)cc3)n2)OC1=O ZINC000000114940 563231431 /nfs/dbraw/zinc/23/14/31/563231431.db2.gz DQCZCIOEXSBBNB-UGSOOPFHSA-N 0 0 330.453 4.774 50 0 biogenic EJAARN Cc1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2)c(C)c1 ZINC000000116520 563232137 /nfs/dbraw/zinc/23/21/37/563232137.db2.gz UAVQTJIURFRCSF-UHFFFAOYSA-N 0 0 331.415 4.988 50 0 EJAARN Cc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2C)cc1 ZINC000000121410 563234385 /nfs/dbraw/zinc/23/43/85/563234385.db2.gz NQDLWWKEAPRXNA-UHFFFAOYSA-N 0 0 344.414 4.808 50 0 EJAARN Cc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000000121426 563234391 /nfs/dbraw/zinc/23/43/91/563234391.db2.gz VVBLWQQCOFKUTA-UHFFFAOYSA-N 0 0 344.414 4.808 50 0 EJAARN O=c1oc2cc(OCc3ccc(Cl)cc3)ccc2c2c1CCC2 ZINC000000123069 563235540 /nfs/dbraw/zinc/23/55/40/563235540.db2.gz AZSFFSMOOOFXNL-UHFFFAOYSA-N 0 0 326.779 4.514 50 0 EJAARN CCOC(=O)c1cnc2c(CC)cccc2c1NCCc1ccccc1 ZINC000000131531 563238829 /nfs/dbraw/zinc/23/88/29/563238829.db2.gz DIOQNHMOQGKLMN-UHFFFAOYSA-N 0 0 348.446 4.629 50 0 EJAARN CCOC(=O)[C@@H](c1ccccc1)[C@H](Nc1ccccc1)c1ccccn1 ZINC000000138250 563241258 /nfs/dbraw/zinc/24/12/58/563241258.db2.gz IONRWHILWJCPNA-LEWJYISDSA-N 0 0 346.430 4.582 50 0 EJAARN Cc1cc(-c2ccc(NC(=O)C3CC3)c(C)c2)ccc1NC(=O)C1CC1 ZINC000000142534 563242915 /nfs/dbraw/zinc/24/29/15/563242915.db2.gz UYGAYJMEJSBMRS-UHFFFAOYSA-N 0 0 348.446 4.667 50 0 EJAARN COc1ccc2nc(NC(=O)/C=C/c3ccc(Cl)cc3)sc2c1 ZINC000000144533 563243651 /nfs/dbraw/zinc/24/36/51/563243651.db2.gz BPUGCWYBSXPHBF-RUDMXATFSA-N 0 0 344.823 4.610 50 0 EJAARN CCOC(=O)c1cnc2c(C)cccc2c1Nc1cccc(C(C)=O)c1 ZINC000000144057 563243654 /nfs/dbraw/zinc/24/36/54/563243654.db2.gz OJEUORYJUCFRNU-UHFFFAOYSA-N 0 0 348.402 4.666 50 0 EJAARN Cc1cc(O[C@@H](C)C(=O)N2CCCc3ccccc32)cc(C)c1Cl ZINC000000150825 563245988 /nfs/dbraw/zinc/24/59/88/563245988.db2.gz QYFNCWNZUWRXKC-HNNXBMFYSA-N 0 0 343.854 4.704 50 0 EJAARN Cc1cc(O[C@@H](C)C(=O)N[C@H](C)c2ccccc2)cc(C)c1Cl ZINC000000150817 563245998 /nfs/dbraw/zinc/24/59/98/563245998.db2.gz WVEAECCTPHJIKY-CABCVRRESA-N 0 0 331.843 4.602 50 0 EJAARN O=C(Nc1ccc2[nH]ccc2c1)c1cccnc1Oc1ccccc1 ZINC000000155938 563247803 /nfs/dbraw/zinc/24/78/03/563247803.db2.gz PZOYREJNSMSTLC-UHFFFAOYSA-N 0 0 329.359 4.608 50 0 EJAARN Clc1ccccc1CSc1nnc2sc3ccccc3n12 ZINC000000160123 563248949 /nfs/dbraw/zinc/24/89/49/563248949.db2.gz KSOUVTAYXKQMRS-UHFFFAOYSA-N 0 0 331.853 4.890 50 0 EJAARN O=C(Oc1ccc(Oc2ccccc2)cc1)c1c(F)cccc1F ZINC000000162051 563248964 /nfs/dbraw/zinc/24/89/64/563248964.db2.gz LZTOAOLAYFTFOO-UHFFFAOYSA-N 0 0 326.298 4.976 50 0 EJAARN Clc1nc2ccccc2nc1-c1ccc(Br)s1 ZINC000000160640 563248976 /nfs/dbraw/zinc/24/89/76/563248976.db2.gz FCAARIDXUAAZLX-UHFFFAOYSA-N 0 0 325.618 4.774 50 0 EJAARN COc1ccccc1C(=O)N1c2ccccc2CCc2ccccc21 ZINC000000169628 563250609 /nfs/dbraw/zinc/25/06/09/563250609.db2.gz VEGAUVGGWIDIBY-UHFFFAOYSA-N 0 0 329.399 4.772 50 0 biogenic EJAARN CCOc1ccc2nc(NC(=O)c3ccc(C)c(C)c3)sc2c1 ZINC000000175236 563252656 /nfs/dbraw/zinc/25/26/56/563252656.db2.gz SWCSRHSLSIDUOE-UHFFFAOYSA-N 0 0 326.421 4.564 50 0 EJAARN O=C1N[C@H](c2cccc3ccccc32)Nc2sc3c(c21)CCCC3 ZINC000000178353 563253377 /nfs/dbraw/zinc/25/33/77/563253377.db2.gz VCYSCDPUQVOGDD-SFHVURJKSA-N 0 0 334.444 4.634 50 0 EJAARN Cc1cccc(-c2cc(C(=O)Nc3nccs3)c3ccccc3n2)c1 ZINC000000178936 563253463 /nfs/dbraw/zinc/25/34/63/563253463.db2.gz PDHOVCXFUYVZEA-UHFFFAOYSA-N 0 0 345.427 4.919 50 0 EJAARN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc(F)c2)cc1 ZINC000000183485 563254790 /nfs/dbraw/zinc/25/47/90/563254790.db2.gz VKZRQMPERUOMOZ-FQEVSTJZSA-N 0 0 348.377 4.605 50 0 EJAARN C[C@@H](NC(=O)C1c2ccccc2Oc2ccccc21)c1ccccc1 ZINC000000182602 563254800 /nfs/dbraw/zinc/25/48/00/563254800.db2.gz WIPLFLKYMVWDOU-OAHLLOKOSA-N 0 0 329.399 4.802 50 0 EJAARN Cc1cc(Cl)c(C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1 ZINC000000184481 563255270 /nfs/dbraw/zinc/25/52/70/563255270.db2.gz XYUHDXQEGOIYTR-UHFFFAOYSA-N 0 0 328.721 4.623 50 0 EJAARN Cc1ccc(-n2cnc3cc(NC(=O)c4ccccc4)ccc32)cc1 ZINC000000188679 563255920 /nfs/dbraw/zinc/25/59/20/563255920.db2.gz DNHCFKBQOGWKRN-UHFFFAOYSA-N 0 0 327.387 4.586 50 0 EJAARN C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccncc1 ZINC000000198974 563258386 /nfs/dbraw/zinc/25/83/86/563258386.db2.gz PXQFZJJATBETDB-JXFKEZNVSA-N 0 0 343.430 4.674 50 0 EJAARN COc1ccccc1Cn1c(COc2ccccc2)nc2ccccc21 ZINC000000202654 563259164 /nfs/dbraw/zinc/25/91/64/563259164.db2.gz VEHYORIYWVIAQA-UHFFFAOYSA-N 0 0 344.414 4.672 50 0 EJAARN Cc1nn2c(nc(C)cc2C(F)(F)F)c1-c1ccc(Cl)cc1 ZINC000000205074 563259802 /nfs/dbraw/zinc/25/98/02/563259802.db2.gz WKKAWONCQZYQPM-UHFFFAOYSA-N 0 0 325.721 4.685 50 0 EJAARN CCN(CC)c1cc(C)c2cc(NC(=O)C3CCCCC3)ccc2n1 ZINC000000213124 563261147 /nfs/dbraw/zinc/26/11/47/563261147.db2.gz IEUMJTYKJHEXLH-UHFFFAOYSA-N 0 0 339.483 4.908 50 0 EJAARN Fc1ccc(-c2cc(C(F)(F)F)nc(N3CCCCCC3)n2)cc1 ZINC000000213198 563261458 /nfs/dbraw/zinc/26/14/58/563261458.db2.gz CJQKQXMODNZMKU-UHFFFAOYSA-N 0 0 339.336 4.682 50 0 EJAARN CC(C)c1ccc(NC(=O)COc2ccc(Br)cc2)cc1 ZINC000000224587 563263065 /nfs/dbraw/zinc/26/30/65/563263065.db2.gz UKSPFKLGFRISDJ-UHFFFAOYSA-N 0 0 348.240 4.590 50 0 EJAARN CCC(=O)Nc1ccc2oc(-c3ccc(OC)c(Cl)c3)nc2c1 ZINC000000238153 563264572 /nfs/dbraw/zinc/26/45/72/563264572.db2.gz AQHWWPSOXOORGT-UHFFFAOYSA-N 0 0 330.771 4.505 50 0 EJAARN CC[C@H](C)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000000245858 563266222 /nfs/dbraw/zinc/26/62/22/563266222.db2.gz WWAWCXSEGBRVOA-AWEZNQCLSA-N 0 0 331.481 4.926 50 0 EJAARN Cc1ccccc1-c1nc2cc(NC(=O)Cc3ccccc3)ccc2o1 ZINC000000259718 563268028 /nfs/dbraw/zinc/26/80/28/563268028.db2.gz HBKJJODNYSKQHS-UHFFFAOYSA-N 0 0 342.398 4.984 50 0 EJAARN CC(=O)C(Cc1ccc(Cl)cc1)(Cc1ccc(Cl)cc1)C(C)=O ZINC000000260553 563268033 /nfs/dbraw/zinc/26/80/33/563268033.db2.gz BWARYGHRIRQXMS-UHFFFAOYSA-N 0 0 349.257 4.943 50 0 EJAARN C[C@@H](c1ccccc1)[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000000261258 563268095 /nfs/dbraw/zinc/26/80/95/563268095.db2.gz ULHXHRCKAFMMRL-FZMZJTMJSA-N 0 0 348.229 4.677 50 0 EJAARN COc1cccc([C@H]2CC(=O)c3c(ccc4ccccc43)N2)c1OC ZINC000000276240 563270706 /nfs/dbraw/zinc/27/07/06/563270706.db2.gz DNGDLOYNSJWQLP-QGZVFWFLSA-N 0 0 333.387 4.597 50 0 EJAARN COc1ccc([C@@H]2CC(=O)c3c(ccc4ccccc43)N2)cc1OC ZINC000000276238 563270782 /nfs/dbraw/zinc/27/07/82/563270782.db2.gz GKVLKQQITBVGCF-KRWDZBQOSA-N 0 0 333.387 4.597 50 0 EJAARN COc1ccccc1C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000000296734 563274617 /nfs/dbraw/zinc/27/46/17/563274617.db2.gz ORPUOLDQJHHXPM-UHFFFAOYSA-N 0 0 344.370 4.756 50 0 EJAARN CCN(c1ccccc1C)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000000300440 563275631 /nfs/dbraw/zinc/27/56/31/563275631.db2.gz LQAXYXRILKSWNR-UHFFFAOYSA-N 0 0 344.263 4.517 50 0 EJAARN O=C(Nc1ccc(F)cc1F)c1ccc(OCc2ccccc2)cc1 ZINC000000309411 563279455 /nfs/dbraw/zinc/27/94/55/563279455.db2.gz MNZUEFYHCLOOFY-UHFFFAOYSA-N 0 0 339.341 4.796 50 0 EJAARN CCCC(CCC)C(=O)Nc1cccc(C(=O)Nc2nccs2)c1 ZINC000000313121 563281728 /nfs/dbraw/zinc/28/17/28/563281728.db2.gz QFRBRGWYFCPTME-UHFFFAOYSA-N 0 0 345.468 4.550 50 0 EJAARN CC(C)C(=O)Nc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC000000314135 563282017 /nfs/dbraw/zinc/28/20/17/563282017.db2.gz HABVVNBRYSANIN-DHZHZOJOSA-N 0 0 342.826 4.586 50 0 EJAARN CCOC(=O)c1c(CC(C)C)csc1NC(=O)c1ccc(F)cc1 ZINC000000313930 563282047 /nfs/dbraw/zinc/28/20/47/563282047.db2.gz KRHHKSKIFCXGFD-UHFFFAOYSA-N 0 0 349.427 4.515 50 0 EJAARN COc1ccc(-c2nc3ccccc3n2CCOc2ccccc2)cc1 ZINC000000316867 563282996 /nfs/dbraw/zinc/28/29/96/563282996.db2.gz VWMQUNORWYLHJB-UHFFFAOYSA-N 0 0 344.414 4.791 50 0 EJAARN COc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)o2)cc1 ZINC000000316706 563283079 /nfs/dbraw/zinc/28/30/79/563283079.db2.gz DOGYWVKRIUAKQW-UHFFFAOYSA-N 0 0 346.839 4.615 50 0 EJAARN O=C(COc1ccc(Cl)cc1)Nc1ccc2c3c(cccc31)CC2 ZINC000000317180 563283423 /nfs/dbraw/zinc/28/34/23/563283423.db2.gz ZFQGQYQFDMUCCU-UHFFFAOYSA-N 0 0 337.806 4.609 50 0 EJAARN COc1cc(C=O)ccc1OC(=O)c1sc2ccccc2c1Cl ZINC000000333931 563285289 /nfs/dbraw/zinc/28/52/89/563285289.db2.gz JJKBVADNSVTNHX-UHFFFAOYSA-N 0 0 346.791 4.595 50 0 EJAARN Clc1ccc(-c2nc(-c3ccc(Br)cc3)no2)cc1 ZINC000000341211 563286281 /nfs/dbraw/zinc/28/62/81/563286281.db2.gz CAOVZBCCDYEKCE-UHFFFAOYSA-N 0 0 335.588 4.820 50 0 EJAARN CCCC(=O)NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000000341944 563286630 /nfs/dbraw/zinc/28/66/30/563286630.db2.gz WUFSVVBBBPHGFN-UHFFFAOYSA-N 0 0 348.855 4.745 50 0 EJAARN CCOC(=O)c1c(CC(C)C)csc1NC(=O)c1cccc(C)c1 ZINC000000348375 563288744 /nfs/dbraw/zinc/28/87/44/563288744.db2.gz NFNJRNKTXLFBFS-UHFFFAOYSA-N 0 0 345.464 4.684 50 0 EJAARN Cc1cc(C)n(-c2cc(Nc3ccccc3)nc(-c3ccccc3)n2)n1 ZINC000000353687 563290377 /nfs/dbraw/zinc/29/03/77/563290377.db2.gz MJTSPZLAUQCXMB-UHFFFAOYSA-N 0 0 341.418 4.690 50 0 EJAARN CCOc1ccc([C@H](C)NC(=O)c2ccccc2Cl)cc1OCC ZINC000000356802 563291587 /nfs/dbraw/zinc/29/15/87/563291587.db2.gz WWPPLZRVZBRSAO-ZDUSSCGKSA-N 0 0 347.842 4.628 50 0 EJAARN Cc1ccc(C2=N/C(=C/c3ccc(Cl)cc3Cl)C(=O)O2)cc1 ZINC000000359780 563292913 /nfs/dbraw/zinc/29/29/13/563292913.db2.gz UVGMRHUZAGZHHY-OVCLIPMQSA-N 0 0 332.186 4.646 50 0 EJAARN CSc1ccc(CNc2ccc(N3CCOCC3)c(Cl)c2)cc1 ZINC000000360438 563293309 /nfs/dbraw/zinc/29/33/09/563293309.db2.gz XIIWHNLHMGTRCO-UHFFFAOYSA-N 0 0 348.899 4.511 50 0 EJAARN Cc1ccc(NC(=O)COc2cccc3ccccc32)cc1Cl ZINC000000362394 563294041 /nfs/dbraw/zinc/29/40/41/563294041.db2.gz NHFFIUNNRCYWMP-UHFFFAOYSA-N 0 0 325.795 4.819 50 0 EJAARN Cc1cccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)c1 ZINC000000362941 563294347 /nfs/dbraw/zinc/29/43/47/563294347.db2.gz GTGCKAIQJXXQMF-NRFANRHFSA-N 0 0 330.383 4.776 50 0 EJAARN C[C@H](C(=O)Nc1ccc(F)cc1)c1cccc(C(=O)c2ccccc2)c1 ZINC000000364136 563295030 /nfs/dbraw/zinc/29/50/30/563295030.db2.gz AHWRQIAWMVRZEM-HNNXBMFYSA-N 0 0 347.389 4.799 50 0 EJAARN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000000364208 563295379 /nfs/dbraw/zinc/29/53/79/563295379.db2.gz MRSYXSPFHZHEHF-UHFFFAOYSA-N 0 0 337.872 4.747 50 0 EJAARN Cc1ccc(NC(=O)c2cccs2)cc1NC(=O)c1cccs1 ZINC000000366805 563296665 /nfs/dbraw/zinc/29/66/65/563296665.db2.gz WXHSBBUFSHLCNH-UHFFFAOYSA-N 0 0 342.445 4.623 50 0 EJAARN O=c1c2ccccc2nc(-c2ccccc2)n1Nc1cccc(Cl)c1 ZINC000000384366 563301295 /nfs/dbraw/zinc/30/12/95/563301295.db2.gz MOGCNMKFJIQXAQ-UHFFFAOYSA-N 0 0 347.805 4.592 50 0 EJAARN Fc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN32)cc1 ZINC000000385943 563302558 /nfs/dbraw/zinc/30/25/58/563302558.db2.gz VIBQLOPNPYCJJC-XLIONFOSSA-N 0 0 334.350 4.661 50 0 EJAARN Cc1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000000396265 563304885 /nfs/dbraw/zinc/30/48/85/563304885.db2.gz CCUAUPRDUUYEBX-NRFANRHFSA-N 0 0 330.383 4.776 50 0 EJAARN COc1ccc(OC)c(NC(=O)Oc2cc(Cl)cc(Cl)c2)c1 ZINC000000398437 563305124 /nfs/dbraw/zinc/30/51/24/563305124.db2.gz DLQDAXQSYMFCJC-UHFFFAOYSA-N 0 0 342.178 4.622 50 0 EJAARN O=C(Nc1cccc(Br)c1)Nc1ccc(F)c(Cl)c1 ZINC000000397721 563305162 /nfs/dbraw/zinc/30/51/62/563305162.db2.gz UIXTXPFVTGCUJW-UHFFFAOYSA-N 0 0 343.583 4.886 50 0 EJAARN CC(=O)Nc1ccc(NC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000000398247 563305218 /nfs/dbraw/zinc/30/52/18/563305218.db2.gz SMFRRAYQJLOVMU-UHFFFAOYSA-N 0 0 338.194 4.596 50 0 EJAARN O=C(Nc1nc2cccc(Cl)c2s1)Nc1cc(F)ccc1F ZINC000000399414 563305641 /nfs/dbraw/zinc/30/56/41/563305641.db2.gz MBRSHDSJTVLEHC-UHFFFAOYSA-N 0 0 339.754 4.872 50 0 EJAARN COc1ccc([C@@H](CC(=O)c2ccccc2)[C@@H]2CCCCC2=O)cc1 ZINC000000401105 563305883 /nfs/dbraw/zinc/30/58/83/563305883.db2.gz ZHCIBQAOOXEWGW-VQTJNVASSA-N 0 0 336.431 4.811 50 0 EJAARN CCOc1ccc(-c2n[nH]c(C)c2Oc2ccc(Cl)cc2)c(O)c1 ZINC000000406253 563306593 /nfs/dbraw/zinc/30/65/93/563306593.db2.gz GGRWVRLNWGKLOY-UHFFFAOYSA-N 0 0 344.798 4.935 50 0 EJAARN COc1cccc(-c2cc(C(=O)Nc3cccc(Cl)c3C)no2)c1 ZINC000000423690 563309331 /nfs/dbraw/zinc/30/93/31/563309331.db2.gz AMHRQZGUFMVIIU-UHFFFAOYSA-N 0 0 342.782 4.564 50 0 EJAARN COc1cccc([C@H](CC(=O)c2ccccc2)[C@@H]2CCCCC2=O)c1 ZINC000000432067 563311332 /nfs/dbraw/zinc/31/13/32/563311332.db2.gz UBMHPHNAKMZGGG-PMACEKPBSA-N 0 0 336.431 4.811 50 0 EJAARN Clc1ccccc1-c1noc(-c2cccc(Br)c2)n1 ZINC000000435547 563312806 /nfs/dbraw/zinc/31/28/06/563312806.db2.gz VINGGSBKWJVCCV-UHFFFAOYSA-N 0 0 335.588 4.820 50 0 EJAARN Cc1cc(C)c(NC(=O)COc2cc(C)c(Cl)c(C)c2)c(C)c1 ZINC000000441571 563314126 /nfs/dbraw/zinc/31/41/26/563314126.db2.gz MNHNGPKPXSRRTD-UHFFFAOYSA-N 0 0 331.843 4.900 50 0 EJAARN CCC1(CC)Cc2cc(OC)c(OC)cc2C(c2ccc(C)cc2)=N1 ZINC000000443243 563315047 /nfs/dbraw/zinc/31/50/47/563315047.db2.gz VWLLYVQTHRFNKD-UHFFFAOYSA-N 0 0 337.463 4.965 50 0 EJAARN CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(Cl)cc1Cl ZINC000000443219 563315062 /nfs/dbraw/zinc/31/50/62/563315062.db2.gz FEOUQCOBBMFIGY-INIZCTEOSA-N 0 0 335.234 4.970 50 0 EJAARN O=C(CSc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1 ZINC000000443470 563315406 /nfs/dbraw/zinc/31/54/06/563315406.db2.gz BRWLGEKKQDQMLP-UHFFFAOYSA-N 0 0 330.211 4.863 50 0 EJAARN CCc1ccc(-c2nc(-c3ccccc3Br)no2)cc1 ZINC000000443344 563315443 /nfs/dbraw/zinc/31/54/43/563315443.db2.gz ITHXQAQANMXXPD-UHFFFAOYSA-N 0 0 329.197 4.729 50 0 EJAARN O=c1c2ccccc2nc(-c2ccco2)n1-c1cccc2ccccc21 ZINC000000448669 563318432 /nfs/dbraw/zinc/31/84/32/563318432.db2.gz IVCHLGBGJWEYSY-UHFFFAOYSA-N 0 0 338.366 4.799 50 0 EJAARN Cc1ccc(-c2nc3ccccn3c2NC(=O)c2ccccc2)cc1 ZINC000000450295 563319131 /nfs/dbraw/zinc/31/91/31/563319131.db2.gz FJJLYIQMUJXQBL-UHFFFAOYSA-N 0 0 327.387 4.562 50 0 EJAARN COc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1 ZINC000000451176 563320367 /nfs/dbraw/zinc/32/03/67/563320367.db2.gz UKDXIGOJJYBTJU-UHFFFAOYSA-N 0 0 327.767 4.861 50 0 EJAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC1CCCCCCC1 ZINC000000451754 563320710 /nfs/dbraw/zinc/32/07/10/563320710.db2.gz VTUMROFDMGJTJI-GFCCVEGCSA-N 0 0 344.282 4.990 50 0 EJAARN Cc1ccc(C(=O)CCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000000452315 563321405 /nfs/dbraw/zinc/32/14/05/563321405.db2.gz DHFOCWUBMFNOKR-UHFFFAOYSA-N 0 0 335.325 4.615 50 0 EJAARN O=C(NCCc1ccccc1)c1ccccc1SCc1ccccc1 ZINC000000452994 563321574 /nfs/dbraw/zinc/32/15/74/563321574.db2.gz SUYLOVKOVMKWCZ-UHFFFAOYSA-N 0 0 347.483 4.951 50 0 EJAARN O=C(/C=C/c1ccc(Cl)cc1Cl)N1CCc2ccccc2C1 ZINC000000453007 563321666 /nfs/dbraw/zinc/32/16/66/563321666.db2.gz XVOQMNUEQMKYQN-SOFGYWHQSA-N 0 0 332.230 4.592 50 0 EJAARN O=C(COC(=O)c1ccccc1Cl)c1ccc(Cl)cc1Cl ZINC000000454237 563322645 /nfs/dbraw/zinc/32/26/45/563322645.db2.gz UDDQQGTXCFGJPG-UHFFFAOYSA-N 0 0 343.593 4.687 50 0 EJAARN COc1c(C)cccc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000000454686 563323306 /nfs/dbraw/zinc/32/33/06/563323306.db2.gz WZWRFCILHZYXMH-UHFFFAOYSA-N 0 0 343.732 4.928 50 0 EJAARN Cc1c(Cl)cccc1NC(=O)Cc1ccc(Br)cc1 ZINC000000456804 563324639 /nfs/dbraw/zinc/32/46/39/563324639.db2.gz IJQYXSCCPBHJSD-UHFFFAOYSA-N 0 0 338.632 4.592 50 0 EJAARN Clc1cccc(-c2nc(-c3ccc(Br)cc3)no2)c1 ZINC000000462008 563326766 /nfs/dbraw/zinc/32/67/66/563326766.db2.gz SVOCIXLOMOQHIW-UHFFFAOYSA-N 0 0 335.588 4.820 50 0 EJAARN Cc1nnc(S[C@H](C(=O)c2ccccc2)c2ccccc2)s1 ZINC000000461550 563326771 /nfs/dbraw/zinc/32/67/71/563326771.db2.gz MCCRBKUEWNVOTG-INIZCTEOSA-N 0 0 326.446 4.563 50 0 EJAARN O=C(NCCc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000000461757 563326785 /nfs/dbraw/zinc/32/67/85/563326785.db2.gz LCQXBIGAVDUGKE-UHFFFAOYSA-N 0 0 328.626 4.619 50 0 EJAARN CCOc1cc(C=O)c(Cl)cc1OCc1ccccc1Cl ZINC000000463052 563327418 /nfs/dbraw/zinc/32/74/18/563327418.db2.gz KXMHTMWDPTVETD-UHFFFAOYSA-N 0 0 325.191 4.784 50 0 EJAARN CCc1sc(NC(=O)Cc2cccs2)nc1-c1ccccc1 ZINC000000463461 563327419 /nfs/dbraw/zinc/32/74/19/563327419.db2.gz CDJMFYUWDFOLDV-UHFFFAOYSA-N 0 0 328.462 4.615 50 0 EJAARN CCOC(=O)Nc1cccc(NC(=O)c2cccc3ccccc32)c1 ZINC000000471301 563331481 /nfs/dbraw/zinc/33/14/81/563331481.db2.gz GVWRKAAEZHEUST-UHFFFAOYSA-N 0 0 334.375 4.661 50 0 EJAARN Cc1ccc2nc(-c3ccncc3)cc(C(=O)N[C@@H](C)C(C)(C)C)c2c1 ZINC000000477190 563335028 /nfs/dbraw/zinc/33/50/28/563335028.db2.gz NQVSQHLBPIOUNS-HNNXBMFYSA-N 0 0 347.462 4.770 50 0 EJAARN Cc1ccc(C)c(/C=C2\N=C(c3cc(F)c(F)cc3Cl)OC2=O)c1 ZINC000000478009 563335398 /nfs/dbraw/zinc/33/53/98/563335398.db2.gz RSNNMOBOVZZNLF-SOFYXZRVSA-N 0 0 347.748 4.580 50 0 EJAARN O=c1cc(C(F)(F)F)c2ccc(OCc3ccc(F)cc3)cc2o1 ZINC000000497832 563338632 /nfs/dbraw/zinc/33/86/32/563338632.db2.gz ZFLZYBFJGVRDRL-UHFFFAOYSA-N 0 0 338.256 4.530 50 0 EJAARN Cc1ccccc1C(=O)Nc1cccc(-c2nnc(-c3ccco3)o2)c1 ZINC000000510339 563339669 /nfs/dbraw/zinc/33/96/69/563339669.db2.gz KVRABTAPTINAMU-UHFFFAOYSA-N 0 0 345.358 4.557 50 0 EJAARN Cc1nc(NC(=O)c2ccc3ccccc3c2)ccc1Br ZINC000000515030 563340445 /nfs/dbraw/zinc/34/04/45/563340445.db2.gz ZXDUNTIVZVVWFV-UHFFFAOYSA-N 0 0 341.208 4.558 50 0 EJAARN CCSc1nc2ccc(NC(=O)c3cccc(C)c3)cc2s1 ZINC000000531026 563342402 /nfs/dbraw/zinc/34/24/02/563342402.db2.gz LCNJTDALBFWTTC-UHFFFAOYSA-N 0 0 328.462 4.969 50 0 EJAARN CCc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)cc2C)cc1 ZINC000000551247 563344833 /nfs/dbraw/zinc/34/48/33/563344833.db2.gz UXWQZURUWZUTFY-UHFFFAOYSA-N 0 0 343.434 4.738 50 0 EJAARN O=C(c1cccs1)N1N=C(c2ccccc2)C[C@H]1c1cccs1 ZINC000000554803 563345160 /nfs/dbraw/zinc/34/51/60/563345160.db2.gz LQLMMBMHZKZLBE-HNNXBMFYSA-N 0 0 338.457 4.801 50 0 EJAARN COc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccco4)c3)nc2c1 ZINC000000556591 563345776 /nfs/dbraw/zinc/34/57/76/563345776.db2.gz PXALAALVKOTODP-UHFFFAOYSA-N 0 0 348.358 4.657 50 0 EJAARN CCOc1cccc(C(=O)Nc2nc3c(cccc3Cl)s2)c1 ZINC000000558564 563346811 /nfs/dbraw/zinc/34/68/11/563346811.db2.gz HTZYSXGCCPCFMH-UHFFFAOYSA-N 0 0 332.812 4.601 50 0 EJAARN O=C(c1ccco1)c1cn(CCOc2ccccc2F)c2ccccc12 ZINC000000560612 563347428 /nfs/dbraw/zinc/34/74/28/563347428.db2.gz IIFVAVTXAHBMHA-UHFFFAOYSA-N 0 0 349.361 4.683 50 0 EJAARN Cc1ccccc1C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000000569383 563348288 /nfs/dbraw/zinc/34/82/88/563348288.db2.gz OIGDVWIBADDBSC-UHFFFAOYSA-N 0 0 328.843 4.891 50 0 EJAARN Cc1cccc(OCC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1C ZINC000000570015 563348965 /nfs/dbraw/zinc/34/89/65/563348965.db2.gz ITCLKRCFJPAAIR-UHFFFAOYSA-N 0 0 343.426 4.892 50 0 EJAARN O=C(NC(=S)Nc1ccc(Nc2ccccc2)cc1)c1ccccc1 ZINC000000587330 563351753 /nfs/dbraw/zinc/35/17/53/563351753.db2.gz NHNXXUVYVIYOCG-UHFFFAOYSA-N 0 0 347.443 4.557 50 0 EJAARN COc1cccc([C@H](C)NC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000000609101 563352362 /nfs/dbraw/zinc/35/23/62/563352362.db2.gz VSTMJQMJHGYXER-NSHDSACASA-N 0 0 338.329 4.597 50 0 EJAARN Cc1cc(=O)oc2cc(OCc3c(F)cccc3F)c(Cl)cc12 ZINC000000609306 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563362724 /nfs/dbraw/zinc/36/27/24/563362724.db2.gz DJAWKJOSEQRTTD-UHFFFAOYSA-N 0 0 326.248 4.865 50 0 EJAARN CC1CCN(C(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)CC1 ZINC000000815127 563364132 /nfs/dbraw/zinc/36/41/32/563364132.db2.gz DPMGIYPBABCWOQ-UHFFFAOYSA-N 0 0 339.222 4.521 50 0 EJAARN COc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(C)cc2)on1 ZINC000000815064 563364225 /nfs/dbraw/zinc/36/42/25/563364225.db2.gz FXUBDNNCLWSOPU-UHFFFAOYSA-N 0 0 342.782 4.564 50 0 EJAARN O=c1oc2cc(OCc3cccc(F)c3)c(Cl)cc2c2c1CCC2 ZINC000000859311 563365203 /nfs/dbraw/zinc/36/52/03/563365203.db2.gz IFHSGLSBQXKJDM-UHFFFAOYSA-N 0 0 344.769 4.653 50 0 EJAARN CC(C)Oc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1 ZINC000000859269 563365239 /nfs/dbraw/zinc/36/52/39/563365239.db2.gz RRZWIDGEDLBPSQ-UHFFFAOYSA-N 0 0 338.451 4.716 50 0 EJAARN CCc1ccccc1-n1ncc(C(=O)Nc2ccc(C)cc2C)c1C ZINC000001018247 563369066 /nfs/dbraw/zinc/36/90/66/563369066.db2.gz AOMYRYUWJKNTDS-UHFFFAOYSA-N 0 0 333.435 4.612 50 0 EJAARN Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](C)c1ccc(C)c(C)c1 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COc1ccc(OC)c(Nc2nc(-c3ccc(F)cc3)cs2)c1 ZINC000001190411 563378404 /nfs/dbraw/zinc/37/84/04/563378404.db2.gz MLGGLZXZGKEWND-UHFFFAOYSA-N 0 0 330.384 4.710 50 0 EJAARN Cc1ccc(NC(=O)Nc2nnc(C3CCCCC3)s2)cc1C ZINC000001243404 563381020 /nfs/dbraw/zinc/38/10/20/563381020.db2.gz XAOAGGLRQHTTJO-UHFFFAOYSA-N 0 0 330.457 4.847 50 0 EJAARN Cc1ccc(Cl)cc1NC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000001306373 563383191 /nfs/dbraw/zinc/38/31/91/563383191.db2.gz CFRCNOOOOCTHAT-OAHLLOKOSA-N 0 0 346.839 4.740 50 0 EJAARN COC(=O)c1sc2cc(C(F)(F)F)cnc2c1-c1cccs1 ZINC000001391624 563385649 /nfs/dbraw/zinc/38/56/49/563385649.db2.gz RCIRVWNMADHUIF-UHFFFAOYSA-N 0 0 343.351 4.830 50 0 EJAARN COC(=O)[C@@H](CC(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000001397579 563386732 /nfs/dbraw/zinc/38/67/32/563386732.db2.gz DFDYMDVBOAHPOF-HNNXBMFYSA-N 0 0 337.202 4.523 50 0 EJAARN Cn1cc([C@@H](OC(=O)c2cccs2)C(F)(F)F)c2ccccc21 ZINC000001399172 563387021 /nfs/dbraw/zinc/38/70/21/563387021.db2.gz VWMIWKIJTLVSCN-CQSZACIVSA-N 0 0 339.338 4.700 50 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Fc1ccc(NC(=S)NCCSc2ccc(Cl)cc2)cc1 ZINC000002784556 563450972 /nfs/dbraw/zinc/45/09/72/563450972.db2.gz QUSURTUPDARFGF-UHFFFAOYSA-N 0 0 340.876 4.558 50 0 EJAARN Cc1ccc2nc(NC(=O)COc3ccccc3C(C)C)sc2c1 ZINC000002815842 563452253 /nfs/dbraw/zinc/45/22/53/563452253.db2.gz JUAJUJXONULWNY-UHFFFAOYSA-N 0 0 340.448 4.746 50 0 EJAARN CCCCSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 ZINC000002837972 563453945 /nfs/dbraw/zinc/45/39/45/563453945.db2.gz NIGRRGXKXRLAPA-UHFFFAOYSA-N 0 0 327.428 4.966 50 0 EJAARN COc1ccc(Cl)cc1NC(=O)c1ccc2c3c(cccc31)CC2 ZINC000002837944 563454031 /nfs/dbraw/zinc/45/40/31/563454031.db2.gz IZMGMSRDBBARTA-UHFFFAOYSA-N 0 0 337.806 4.853 50 0 EJAARN CCCOc1ccc(CC(=O)Nc2ccc(C)c(Cl)c2)cc1OC ZINC000002846211 563455313 /nfs/dbraw/zinc/45/53/13/563455313.db2.gz SQYIUYQMHHCJBE-UHFFFAOYSA-N 0 0 347.842 4.627 50 0 EJAARN COc1ccccc1[C@H]1CC(=O)C[C@H](c2ccccc2OC)S1 ZINC000002847006 563455368 /nfs/dbraw/zinc/45/53/68/563455368.db2.gz CCKUEZLYUSXWIK-RTBURBONSA-N 0 0 328.433 4.582 50 0 EJAARN S=C(NCc1ccco1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000002858022 563456818 /nfs/dbraw/zinc/45/68/18/563456818.db2.gz CNXBWQVOWLRYBI-UHFFFAOYSA-N 0 0 335.643 4.726 50 0 EJAARN Clc1ccc(OCCOc2ccc3c(c2)CCC3)c2ncccc12 ZINC000002862928 563457393 /nfs/dbraw/zinc/45/73/93/563457393.db2.gz ROHFSXUDWIPNNY-UHFFFAOYSA-N 0 0 339.822 4.835 50 0 EJAARN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(Cl)cc1 ZINC000002862957 563457508 /nfs/dbraw/zinc/45/75/08/563457508.db2.gz ZWGCMXFYSDSWFI-AWEZNQCLSA-N 0 0 345.870 4.721 50 0 EJAARN Cn1c(SC/C=C/c2ccccc2)nnc1-c1ccccc1Cl ZINC000002865522 563458043 /nfs/dbraw/zinc/45/80/43/563458043.db2.gz MQJYVMLIBNCVQY-JXMROGBWSA-N 0 0 341.867 4.941 50 0 EJAARN Cc1ccc2occ(CC(=O)Nc3ccccc3C(F)(F)F)c2c1 ZINC000002873063 563459402 /nfs/dbraw/zinc/45/94/02/563459402.db2.gz DSASQHSPBSBDFX-UHFFFAOYSA-N 0 0 333.309 4.941 50 0 EJAARN COc1cc2c(cc1NC(=O)Cc1ccc(F)cc1)oc1ccccc12 ZINC000002874633 563459437 /nfs/dbraw/zinc/45/94/37/563459437.db2.gz RTUFJHLFQYSUPN-UHFFFAOYSA-N 0 0 349.361 4.915 50 0 EJAARN c1ccc(-c2nnc3sc(-c4cccc5ccccc54)nn32)cc1 ZINC000002878043 563460106 /nfs/dbraw/zinc/46/01/06/563460106.db2.gz SJKZBHNMZVYLKA-UHFFFAOYSA-N 0 0 328.400 4.673 50 0 EJAARN Cc1ccccc1[C@H]1CC(c2cccnc2)=Nc2nc3ccccc3n21 ZINC000002919236 563463599 /nfs/dbraw/zinc/46/35/99/563463599.db2.gz XVCCJMAQTZMWHW-OAQYLSRUSA-N 0 0 338.414 4.796 50 0 EJAARN CCCOc1cc(OCCC)cc(C(=O)Nc2ccc(C)cc2)c1 ZINC000002980792 563465634 /nfs/dbraw/zinc/46/56/34/563465634.db2.gz MBYVUFKRAQJYHS-UHFFFAOYSA-N 0 0 327.424 4.825 50 0 EJAARN CC[C@H](C)c1ccc(OCCOCCOc2ccc(OC)cc2)cc1 ZINC000002983711 563465824 /nfs/dbraw/zinc/46/58/24/563465824.db2.gz OGCMXNUPWYATPW-KRWDZBQOSA-N 0 0 344.451 4.683 50 0 EJAARN COc1ccc(OCCCOc2cc(Cl)ccc2Cl)cc1 ZINC000002984015 563466239 /nfs/dbraw/zinc/46/62/39/563466239.db2.gz FIICJMXZLJHHCF-UHFFFAOYSA-N 0 0 327.207 4.850 50 0 EJAARN CCOc1ccc(OCCCCOc2cccc3cccnc32)cc1 ZINC000002983732 563466345 /nfs/dbraw/zinc/46/63/45/563466345.db2.gz OGUCVCBFQIOHGH-UHFFFAOYSA-N 0 0 337.419 4.872 50 0 EJAARN C/C=C/c1ccc(OCCCCOc2ccc(C=O)cc2)c(OC)c1 ZINC000002986790 563467101 /nfs/dbraw/zinc/46/71/01/563467101.db2.gz VGJJGDJHQCJQFS-ZZXKWVIFSA-N 0 0 340.419 4.779 50 0 EJAARN CCCCOc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1 ZINC000002986363 563467114 /nfs/dbraw/zinc/46/71/14/563467114.db2.gz YEURNTYFJCPKLB-UHFFFAOYSA-N 0 0 338.451 4.718 50 0 EJAARN C/C=C/c1ccc(OCCCOc2ccc(C)cc2OC)c(OC)c1 ZINC000002991246 563468156 /nfs/dbraw/zinc/46/81/56/563468156.db2.gz LOJMGKSLKJPZLW-FNORWQNLSA-N 0 0 342.435 4.893 50 0 EJAARN CCCCOc1ccccc1/C=C1\N=C(c2ccc(C)cc2)OC1=O ZINC000003016880 563469797 /nfs/dbraw/zinc/46/97/97/563469797.db2.gz UGDIYQZVVZQTPC-JXAWBTAJSA-N 0 0 335.403 4.518 50 0 EJAARN CCCCOc1ccc(NC(=S)Nc2ccc(OC)cc2)cc1 ZINC000003141929 563474327 /nfs/dbraw/zinc/47/43/27/563474327.db2.gz IASXZRFIGSXBIO-UHFFFAOYSA-N 0 0 330.453 4.683 50 0 EJAARN O=S(=O)(Cc1ccccc1)NC1CCCCCCCCCCC1 ZINC000003163439 563475121 /nfs/dbraw/zinc/47/51/21/563475121.db2.gz BBEXJYQHPJQIDK-UHFFFAOYSA-N 0 0 337.529 4.779 50 0 EJAARN O=C(N[C@H](c1ccccc1)C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000003226632 563477564 /nfs/dbraw/zinc/47/75/64/563477564.db2.gz CNVSGILXBGTTOV-CYBMUJFWSA-N 0 0 347.258 4.739 50 0 EJAARN CCc1[nH]nc(-c2ccc(C)cc2C)c1NC(=O)c1ccc(F)cc1 ZINC000034794785 563479658 /nfs/dbraw/zinc/47/96/58/563479658.db2.gz XICANSFYFOEZBX-UHFFFAOYSA-N 0 0 337.398 4.647 50 0 EJAARN CSc1ccc(OCc2noc(-c3cccc(Cl)c3)n2)cc1 ZINC000034907050 563481298 /nfs/dbraw/zinc/48/12/98/563481298.db2.gz TYXCSIWMDMFLMU-UHFFFAOYSA-N 0 0 332.812 4.691 50 0 EJAARN O=C(Nc1c(-c2cc(F)ccc2F)nc2ccccn21)c1ccccc1 ZINC000034916107 563484611 /nfs/dbraw/zinc/48/46/11/563484611.db2.gz KQYQYJMIRWSCDN-UHFFFAOYSA-N 0 0 349.340 4.532 50 0 EJAARN Cc1ccc2nc(-c3ccccc3C)c(NC(=O)c3ccccc3)n2c1 ZINC000034913368 563485045 /nfs/dbraw/zinc/48/50/45/563485045.db2.gz HIKKRGVLAAQHTG-UHFFFAOYSA-N 0 0 341.414 4.870 50 0 EJAARN CCCCC(=O)Nc1c(-c2cccc(F)c2)nc2cc(C)ccn21 ZINC000034913304 563485050 /nfs/dbraw/zinc/48/50/50/563485050.db2.gz CQNLCXSOCOYLSW-UHFFFAOYSA-N 0 0 325.387 4.578 50 0 EJAARN O=C(Nc1cccnc1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000006697558 563489773 /nfs/dbraw/zinc/48/97/73/563489773.db2.gz AAACBXVBBDAYRQ-UHFFFAOYSA-N 0 0 338.794 4.566 50 0 EJAARN CCSc1nc2ccccc2n1C(=O)/C=C/c1ccc(F)cc1 ZINC000003893676 563490490 /nfs/dbraw/zinc/49/04/90/563490490.db2.gz IQVNMMVBSUUHKO-FMIVXFBMSA-N 0 0 326.396 4.641 50 0 EJAARN Cc1ccccc1-n1c(/C=C/c2ccccc2)nc2ccccc2c1=O ZINC000004315249 563499718 /nfs/dbraw/zinc/49/97/18/563499718.db2.gz YBILAVWVXODZMI-FOCLMDBBSA-N 0 0 338.410 4.865 50 0 EJAARN Cc1cccc(NC(=O)C2[C@@H]3CC[C@@H]4[C@H](CC[C@@H]23)C4(Cl)Cl)c1 ZINC000004380147 563501794 /nfs/dbraw/zinc/50/17/94/563501794.db2.gz ILZRVBWTTJKFOR-YFVFXCHESA-N 0 0 338.278 4.790 50 0 EJAARN O=C(c1ccc(Cl)cc1)N(Cc1cccs1)c1ccc(O)cc1 ZINC000004689501 563507583 /nfs/dbraw/zinc/50/75/83/563507583.db2.gz AZDKTHIDSKTJAW-UHFFFAOYSA-N 0 0 343.835 4.954 50 0 EJAARN CCCCCOc1ccccc1/C=C1\N=C(c2ccccc2)OC1=O ZINC000004713838 563508838 /nfs/dbraw/zinc/50/88/38/563508838.db2.gz USZGBMPKONCLGV-SDXDJHTJSA-N 0 0 335.403 4.600 50 0 EJAARN Cc1c(C)c(=O)oc2c(C)c(OCc3ccccc3Cl)ccc12 ZINC000004724850 563509153 /nfs/dbraw/zinc/50/91/53/563509153.db2.gz OEJPSJJWOVHCED-UHFFFAOYSA-N 0 0 328.795 4.951 50 0 EJAARN Cc1ccc2[nH]c(SCC(=O)Nc3ccc4ccccc4c3)nc2c1 ZINC000004740048 563509604 /nfs/dbraw/zinc/50/96/04/563509604.db2.gz CNPPNCJCMPTQKR-UHFFFAOYSA-N 0 0 347.443 4.755 50 0 EJAARN Cc1cc(C)c(S(=O)(=O)Oc2ccc3ccccc3c2)c(C)c1 ZINC000004797118 563511252 /nfs/dbraw/zinc/51/12/52/563511252.db2.gz UIAXXRPPYFRBRQ-UHFFFAOYSA-N 0 0 326.417 4.533 50 0 EJAARN O=C(Cc1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000004819628 563512056 /nfs/dbraw/zinc/51/20/56/563512056.db2.gz PUHZCOBLXDOFSF-UHFFFAOYSA-N 0 0 331.696 4.679 50 0 EJAARN CC(=O)c1cccc(NC(=O)CCc2ccc(-c3ccccc3)o2)c1 ZINC000004866891 563514256 /nfs/dbraw/zinc/51/42/56/563514256.db2.gz HDWXNRUVIJCXJR-UHFFFAOYSA-N 0 0 333.387 4.721 50 0 EJAARN Cc1cc(C)c(OCCNC(=O)c2cccc3ccccc32)c(C)c1 ZINC000005077928 563520805 /nfs/dbraw/zinc/52/08/05/563520805.db2.gz RSWZFWRDSPACRL-UHFFFAOYSA-N 0 0 333.431 4.574 50 0 EJAARN Cc1nn(-c2ccccc2)c2c1C(=O)C[C@@H](c1cccc(Cl)c1)C2 ZINC000005451469 563533266 /nfs/dbraw/zinc/53/32/66/563533266.db2.gz PIHJKUQXZJMLQP-HNNXBMFYSA-N 0 0 336.822 4.747 50 0 EJAARN c1ccc2cc(-c3cc(N4CCOCC4)c4ccccc4n3)ccc2c1 ZINC000005521541 563536900 /nfs/dbraw/zinc/53/69/00/563536900.db2.gz LGCPCOWCBCIEOX-UHFFFAOYSA-N 0 0 340.426 4.892 50 0 EJAARN CCc1cc(=O)oc2cc(OCc3ccc(C)cc3)c(Cl)cc12 ZINC000005548218 563538448 /nfs/dbraw/zinc/53/84/48/563538448.db2.gz LQVAFRHDNPCTGL-UHFFFAOYSA-N 0 0 328.795 4.896 50 0 EJAARN COc1ccc2c(Cl)cc(NC(=S)Nc3ccccc3)nc2c1 ZINC000005550327 563538471 /nfs/dbraw/zinc/53/84/71/563538471.db2.gz HZVNREMABNFFPU-UHFFFAOYSA-N 0 0 343.839 4.706 50 0 in-vitro EJAARN Clc1ccc2c(c1)[C@@H]1CC(c3ccco3)=NN1C1(CCCC1)O2 ZINC000005716106 563546959 /nfs/dbraw/zinc/54/69/59/563546959.db2.gz NRGYEWCDAHNGOH-HNNXBMFYSA-N 0 0 328.799 4.747 50 0 EJAARN C[C@@H]1CCCc2sc3[nH]c(=S)n(-c4ccccc4)c(=O)c3c21 ZINC000005818006 563551435 /nfs/dbraw/zinc/55/14/35/563551435.db2.gz YMUVRKAPBOVRBN-SNVBAGLBSA-N 0 0 328.462 4.550 50 0 EJAARN O=Cc1cn(Cc2c(Cl)cccc2Cl)nc1-c1ccccc1 ZINC000005947927 563555467 /nfs/dbraw/zinc/55/54/67/563555467.db2.gz SCKGCVDNLCMTTB-UHFFFAOYSA-N 0 0 331.202 4.718 50 0 EJAARN Cc1ccc(-n2c(=O)c3c4c(sc3[nH]c2=S)CCCC4)c(C)c1 ZINC000006016940 563557471 /nfs/dbraw/zinc/55/74/71/563557471.db2.gz SXZBDYBQWCVDFC-UHFFFAOYSA-N 0 0 342.489 4.605 50 0 EJAARN COc1ccc(Cl)cc1NC(=O)c1ccccc1C(F)(F)F ZINC000006153123 563559956 /nfs/dbraw/zinc/55/99/56/563559956.db2.gz WVHQPBNUMUVROY-UHFFFAOYSA-N 0 0 329.705 4.620 50 0 EJAARN Cc1cc(CC(=O)Nc2ccc(F)cc2-c2ccc(Cl)cc2)no1 ZINC000071907518 563567147 /nfs/dbraw/zinc/56/71/47/563567147.db2.gz RGWMZKKAVDWPJO-UHFFFAOYSA-N 0 0 344.773 4.624 50 0 EJAARN O=C(NCCc1c[nH]c2ccccc12)Nc1cc(Cl)ccc1Cl ZINC000006476424 563568846 /nfs/dbraw/zinc/56/88/46/563568846.db2.gz QFFIPIVBUBZQHU-UHFFFAOYSA-N 0 0 348.233 4.839 50 0 EJAARN COc1ccc(C)cc1-c1csc(NC(=O)c2ccccc2F)n1 ZINC000010577867 563571049 /nfs/dbraw/zinc/57/10/49/563571049.db2.gz YDLZWKYFGXKSHV-UHFFFAOYSA-N 0 0 342.395 4.519 50 0 EJAARN CCOc1ccccc1NC(=O)c1ccc(COc2ccccc2)cc1 ZINC000006700805 563579743 /nfs/dbraw/zinc/57/97/43/563579743.db2.gz TZERNKCBNAQVSR-UHFFFAOYSA-N 0 0 347.414 4.917 50 0 EJAARN C[C@H](NC(=O)c1ccccc1)c1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000006701624 563580104 /nfs/dbraw/zinc/58/01/04/563580104.db2.gz AEGVGQYNOULHPX-AWEZNQCLSA-N 0 0 349.434 4.525 50 0 EJAARN COc1cc(-c2nc3sccn3c2Nc2ccccc2)ccc1O ZINC000006733111 563584335 /nfs/dbraw/zinc/58/43/35/563584335.db2.gz QVUXHQNMXYAYFV-UHFFFAOYSA-N 0 0 337.404 4.521 50 0 EJAARN ON1c2cc(Cl)c(Cl)cc2NN=C1c1ccc(Cl)cc1 ZINC000006883109 563590584 /nfs/dbraw/zinc/59/05/84/563590584.db2.gz FLOYMKNVVGEXBU-UHFFFAOYSA-N 0 0 328.586 4.630 50 0 EJAARN CCc1nnc2c(Nc3ccc(C(C)C)cc3)nc3ccccc3n12 ZINC000006901697 563591322 /nfs/dbraw/zinc/59/13/22/563591322.db2.gz UABYMOKXRUXJQB-UHFFFAOYSA-N 0 0 331.423 4.707 50 0 EJAARN COc1ccc(NC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)cc1 ZINC000007071512 563594932 /nfs/dbraw/zinc/59/49/32/563594932.db2.gz WYHLGDOTSACGBV-AWEZNQCLSA-N 0 0 335.403 4.599 50 0 EJAARN Cc1cccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)c1 ZINC000007126188 563596000 /nfs/dbraw/zinc/59/60/00/563596000.db2.gz AHKWWZLRZSTGNG-UHFFFAOYSA-N 0 0 336.416 4.561 50 0 EJAARN Clc1ccc(Cl)c(-c2ccc(CNCc3ccccn3)o2)c1 ZINC000007365267 563600026 /nfs/dbraw/zinc/60/00/26/563600026.db2.gz FZYUAJLGQUTASK-UHFFFAOYSA-N 0 0 333.218 4.938 50 0 EJAARN Cc1nn(C(=O)c2ccc(F)cc2)c(C)c1Sc1ccc(F)cc1 ZINC000002685879 563600810 /nfs/dbraw/zinc/60/08/10/563600810.db2.gz PVNZGECVABMYHX-UHFFFAOYSA-N 0 0 344.386 4.618 50 0 EJAARN O=C([O-])c1ccc(C[NH2+]Cc2ccc(-c3cccc(Cl)c3)o2)cc1 ZINC000007524850 563604236 /nfs/dbraw/zinc/60/42/36/563604236.db2.gz WRLTZXFNZFQQQQ-UHFFFAOYSA-N 0 0 341.794 4.588 50 0 EJAARN CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)OCO2 ZINC000007668978 563609809 /nfs/dbraw/zinc/60/98/09/563609809.db2.gz VBRIHHHHIRDDCC-UHFFFAOYSA-N 0 0 325.408 4.914 50 0 EJAARN COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H](C)Oc1ccc(C)cc1 ZINC000002762386 563610184 /nfs/dbraw/zinc/61/01/84/563610184.db2.gz SWQZLELVTXJASH-OAHLLOKOSA-N 0 0 341.451 4.707 50 0 EJAARN CSc1ccc(Cl)c(C(=O)Nc2nc3c(s2)CCCC3)c1 ZINC000002764227 563610845 /nfs/dbraw/zinc/61/08/45/563610845.db2.gz SUTLBTBKNCMCMS-UHFFFAOYSA-N 0 0 338.885 4.650 50 0 EJAARN C[C@H](NC(=S)NCc1cc2cc(Cl)ccc2[nH]1)c1ccccc1 ZINC000002781618 563612817 /nfs/dbraw/zinc/61/28/17/563612817.db2.gz LOYZYEQSDLMSLF-LBPRGKRZSA-N 0 0 343.883 4.547 50 0 EJAARN COc1cc(Cl)ccc1NC(=O)Cc1c(Cl)cccc1Cl ZINC000002789219 563613483 /nfs/dbraw/zinc/61/34/83/563613483.db2.gz DQRVOTVOVQALRI-UHFFFAOYSA-N 0 0 344.625 4.837 50 0 EJAARN CC[C@@H](NS(=O)(=O)c1cccs1)c1ccc([C@@H](C)CC)cc1 ZINC000002774866 563614435 /nfs/dbraw/zinc/61/44/35/563614435.db2.gz RKQTUEKIKVHFBS-XJKSGUPXSA-N 0 0 337.510 4.691 50 0 EJAARN CC(C)c1oc([C@@H]2CCCN2C(=O)C2CCC2)nc1-c1ccccc1 ZINC000071916611 563621751 /nfs/dbraw/zinc/62/17/51/563621751.db2.gz FBRRCZOEQFTSSN-KRWDZBQOSA-N 0 0 338.451 4.929 50 0 EJAARN CCCCCc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1 ZINC000003012109 563625434 /nfs/dbraw/zinc/62/54/34/563625434.db2.gz POUYJCQYOQBUJD-UHFFFAOYSA-N 0 0 337.463 4.559 50 0 EJAARN CC(C)(COC(=O)Nc1ccccc1)COC(=O)Nc1ccccc1 ZINC000003033252 563628278 /nfs/dbraw/zinc/62/82/78/563628278.db2.gz KGQCYUZSUKZPSJ-UHFFFAOYSA-N 0 0 342.395 4.510 50 0 EJAARN COc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000008496783 563631536 /nfs/dbraw/zinc/63/15/36/563631536.db2.gz KBQYUFUBWOCWOE-INIZCTEOSA-N 0 0 347.414 4.768 50 0 EJAARN COc1ccc([C@H](C)NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000003068005 563631942 /nfs/dbraw/zinc/63/19/42/563631942.db2.gz GUCUPAYGBKHLRO-KRWDZBQOSA-N 0 0 345.442 4.705 50 0 EJAARN Cc1cccc(NC(=S)Nc2ccc(Nc3ccccc3)cc2)n1 ZINC000008656999 563634629 /nfs/dbraw/zinc/63/46/29/563634629.db2.gz ZQBLXTFAYJASHR-UHFFFAOYSA-N 0 0 334.448 4.943 50 0 EJAARN CC[C@H](C(=O)Nc1ccc(Cc2ccncc2)cc1)c1ccccc1 ZINC000008706739 563635976 /nfs/dbraw/zinc/63/59/76/563635976.db2.gz JEUMZKCDNDTXOX-NRFANRHFSA-N 0 0 330.431 4.805 50 0 EJAARN CC[C@@H](C(=O)Nc1ccc(Cc2ccncc2)cc1)c1ccccc1 ZINC000008706740 563636033 /nfs/dbraw/zinc/63/60/33/563636033.db2.gz JEUMZKCDNDTXOX-OAQYLSRUSA-N 0 0 330.431 4.805 50 0 EJAARN Cc1ccc(NC(=O)Nc2nnc(-c3cccs3)s2)cc1C ZINC000008739707 563638330 /nfs/dbraw/zinc/63/83/30/563638330.db2.gz QTSUCCGWUWGYDA-UHFFFAOYSA-N 0 0 330.438 4.527 50 0 EJAARN CC(C)(C)OC(=O)n1cc(Cc2ccccc2)c2c1cccc2C=O ZINC000022867385 563643834 /nfs/dbraw/zinc/64/38/34/563643834.db2.gz HPJADMNAEZLBER-UHFFFAOYSA-N 0 0 335.403 4.828 50 0 EJAARN CCCC(=O)Nc1ccc(Cl)c(NC(=O)NC2CCCCC2)c1 ZINC000010287843 563646440 /nfs/dbraw/zinc/64/64/40/563646440.db2.gz ALPVUOBAEHKUOA-UHFFFAOYSA-N 0 0 337.851 4.533 50 0 EJAARN Cc1nc(SCC(=O)c2ccc(F)cc2)cc(-c2ccccc2)n1 ZINC000012016864 563652593 /nfs/dbraw/zinc/65/25/93/563652593.db2.gz DRIPPGCBYGHWOY-UHFFFAOYSA-N 0 0 338.407 4.566 50 0 EJAARN C[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000012273852 563656747 /nfs/dbraw/zinc/65/67/47/563656747.db2.gz RBWGKDKKNHJEOR-QLJPJBMISA-N 0 0 333.218 4.883 50 0 EJAARN O=C1C[C@@H](c2ccc(OCCc3ccccc3)cc2)c2sccc2N1 ZINC000012376332 563659144 /nfs/dbraw/zinc/65/91/44/563659144.db2.gz BLMBMTFPBYLALW-SFHVURJKSA-N 0 0 349.455 4.844 50 0 EJAARN C[C@H](NC(=O)c1sc2cc(Cl)ccc2c1Cl)[C@H]1CCCO1 ZINC000012383294 563659391 /nfs/dbraw/zinc/65/93/91/563659391.db2.gz AWBAUQCKEMTDQV-GZMMTYOYSA-N 0 0 344.263 4.505 50 0 EJAARN COCCCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccccc1 ZINC000012615813 563665372 /nfs/dbraw/zinc/66/53/72/563665372.db2.gz KKXZHLXQOSGIGA-VZCXRCSSSA-N 0 0 342.439 4.625 50 0 EJAARN Cc1ccc(-n2c(=O)c3c4c(sc3[nH]c2=S)CCCCC4)cc1 ZINC000012650511 563666887 /nfs/dbraw/zinc/66/68/87/563666887.db2.gz CTBINQJVBZMRHK-UHFFFAOYSA-N 0 0 342.489 4.687 50 0 EJAARN CCc1ccc(CN2CCC[C@H](C(=O)c3ccccc3SC)C2)o1 ZINC000012705022 563667966 /nfs/dbraw/zinc/66/79/66/563667966.db2.gz ANLRGQGKOZSEMF-HNNXBMFYSA-N 0 0 343.492 4.659 50 0 EJAARN CCc1ccc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c32)cc1 ZINC000012746743 563669738 /nfs/dbraw/zinc/66/97/38/563669738.db2.gz KXIYNILHIQGIMG-UHFFFAOYSA-N 0 0 347.374 4.606 50 0 EJAARN Clc1ccccc1-c1nc(CSc2nc3ccccc3o2)no1 ZINC000012789337 563671301 /nfs/dbraw/zinc/67/13/01/563671301.db2.gz OOLSNHYOKCJJQD-UHFFFAOYSA-N 0 0 343.795 4.824 50 0 EJAARN Cc1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)cc1F ZINC000012795446 563672651 /nfs/dbraw/zinc/67/26/51/563672651.db2.gz RYOHIUPXJXSGHJ-UHFFFAOYSA-N 0 0 332.425 4.500 50 0 EJAARN Cc1ccc2c(C)c(CCC(=O)Nc3ccc(C)c(C)c3)c(=O)oc2c1 ZINC000012800849 563673761 /nfs/dbraw/zinc/67/37/61/563673761.db2.gz XGXXWEHMUNSSLC-UHFFFAOYSA-N 0 0 349.430 4.598 50 0 EJAARN O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2ccccc2F)c1 ZINC000012805017 563674386 /nfs/dbraw/zinc/67/43/86/563674386.db2.gz FCRNKYYVCXDJFO-UHFFFAOYSA-N 0 0 349.365 4.722 50 0 EJAARN CCOC(=O)c1nc2cc(C)c(C)cc2nc1NC1CCCCCC1 ZINC000032642887 563674844 /nfs/dbraw/zinc/67/48/44/563674844.db2.gz ZMTKHCCFUPMBKG-UHFFFAOYSA-N 0 0 341.455 4.558 50 0 EJAARN C[C@H](NC(=O)CCc1cccs1)c1ccc(Cl)cc1Cl ZINC000032674361 563677170 /nfs/dbraw/zinc/67/71/70/563677170.db2.gz BLAQSVPLEILRGO-JTQLQIEISA-N 0 0 328.264 4.865 50 0 EJAARN CC(C)(Oc1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1Cl ZINC000032675788 563677532 /nfs/dbraw/zinc/67/75/32/563677532.db2.gz HYTOXWQGBWNKQV-UHFFFAOYSA-N 0 0 342.197 4.929 50 0 EJAARN Cc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 ZINC000012938613 563677821 /nfs/dbraw/zinc/67/78/21/563677821.db2.gz LYKCRXVDEZSALZ-MRXNPFEDSA-N 0 0 336.460 4.625 50 0 EJAARN C[C@@H](NC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)c1cccc(F)c1 ZINC000012973206 563679816 /nfs/dbraw/zinc/67/98/16/563679816.db2.gz DVHNTYIJZIKEOK-OLZOCXBDSA-N 0 0 334.822 4.943 50 0 EJAARN O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)NCc1cccs1 ZINC000012977818 563680890 /nfs/dbraw/zinc/68/08/90/563680890.db2.gz IBJVYIFSTUVULJ-UHFFFAOYSA-N 0 0 349.455 4.694 50 0 EJAARN O=C(CCSCc1cccc(F)c1)Nc1ccc2c(c1)CCC2 ZINC000013015586 563685541 /nfs/dbraw/zinc/68/55/41/563685541.db2.gz UUHJCMYUWAEHAO-UHFFFAOYSA-N 0 0 329.440 4.576 50 0 EJAARN CC(C)c1ccc(NC(=O)[C@@H](C)N(C)Cc2ccc(Cl)cc2)cc1 ZINC000013041212 563686278 /nfs/dbraw/zinc/68/62/78/563686278.db2.gz WUGZGVHGHSVDEZ-OAHLLOKOSA-N 0 0 344.886 4.922 50 0 EJAARN O=C(Cc1cccc2ccccc21)Oc1ccccc1Br ZINC000013141623 563690968 /nfs/dbraw/zinc/69/09/68/563690968.db2.gz WBPYUMJNNOLNNC-UHFFFAOYSA-N 0 0 341.204 4.750 50 0 EJAARN CCn1c(SCc2cccc(C)c2)nnc1-c1ccc(F)cc1 ZINC000013325472 563694681 /nfs/dbraw/zinc/69/46/81/563694681.db2.gz RXKMWLLZDNUCRW-UHFFFAOYSA-N 0 0 327.428 4.705 50 0 EJAARN Cc1cnc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2Cl)s1 ZINC000013326253 563694968 /nfs/dbraw/zinc/69/49/68/563694968.db2.gz ZCBLNTZIKJTLIA-UHFFFAOYSA-N 0 0 345.251 4.554 50 0 EJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H]1CCCC[C@@H]1C ZINC000013329537 563696038 /nfs/dbraw/zinc/69/60/38/563696038.db2.gz MDLHMQLVNKTFKS-NHYWBVRUSA-N 0 0 332.831 4.612 50 0 EJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1CCCC[C@H]1C ZINC000013329539 563696051 /nfs/dbraw/zinc/69/60/51/563696051.db2.gz MDLHMQLVNKTFKS-IAQYHMDHSA-N 0 0 332.831 4.612 50 0 EJAARN COc1ccc(NC(=S)Nc2ccccc2C(F)(F)F)cc1 ZINC000013496970 563699756 /nfs/dbraw/zinc/69/97/56/563699756.db2.gz WRMFVKBRPXKIBB-UHFFFAOYSA-N 0 0 326.343 4.523 50 0 EJAARN CC(=O)N(C)c1ccc(NC(=S)Nc2ccc(C(C)C)cc2)cc1 ZINC000013519807 563700413 /nfs/dbraw/zinc/70/04/13/563700413.db2.gz MECRELFAEXUJOD-UHFFFAOYSA-N 0 0 341.480 4.602 50 0 EJAARN C[C@@H](Nc1ccc2nnc(-c3ccccc3Cl)n2n1)c1ccccc1 ZINC000013628930 563704737 /nfs/dbraw/zinc/70/47/37/563704737.db2.gz HJJJWKKYPPHFMI-CYBMUJFWSA-N 0 0 349.825 4.618 50 0 EJAARN CCc1ccc(-n2nc(C)c3c2NC(=O)C[C@@H]3c2ccsc2)cc1 ZINC000013654148 563707031 /nfs/dbraw/zinc/70/70/31/563707031.db2.gz YCVFAZRDOUOUHQ-MRXNPFEDSA-N 0 0 337.448 4.928 50 0 EJAARN C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ccccc1OC(F)F ZINC000032754295 563727567 /nfs/dbraw/zinc/72/75/67/563727567.db2.gz JXRRBCNOJWRXIZ-GFCCVEGCSA-N 0 0 345.345 4.867 50 0 EJAARN Fc1ccc(Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)cc1 ZINC000004473190 563728415 /nfs/dbraw/zinc/72/84/15/563728415.db2.gz PYEKMHQIABVEOD-UHFFFAOYSA-N 0 0 329.444 4.889 50 0 EJAARN CC(=O)c1ccc(NC(=S)N[C@@H](C)c2cc(C)ccc2C)cc1 ZINC000013931249 563730354 /nfs/dbraw/zinc/73/03/54/563730354.db2.gz TUDBWOFUMHJYQF-AWEZNQCLSA-N 0 0 326.465 4.554 50 0 EJAARN CCOc1ccc(NC(=S)N[C@H](C)c2cc(C)ccc2C)cc1 ZINC000013931261 563730538 /nfs/dbraw/zinc/73/05/38/563730538.db2.gz KEWZZRYBIXESEV-OAHLLOKOSA-N 0 0 328.481 4.750 50 0 EJAARN CCOc1ccccc1NC(=S)N[C@@H](C)c1cc(C)ccc1C ZINC000013931262 563730621 /nfs/dbraw/zinc/73/06/21/563730621.db2.gz QYFMQDRFQWQQTM-HNNXBMFYSA-N 0 0 328.481 4.750 50 0 EJAARN O=C(NC(c1ccccc1)c1ccccc1)c1cc2cc(F)ccc2[nH]1 ZINC000013957077 563733162 /nfs/dbraw/zinc/73/31/62/563733162.db2.gz SEQMSEZZEOWCKL-UHFFFAOYSA-N 0 0 344.389 4.826 50 0 EJAARN Cc1cc(NC(=O)CCSCc2ccc(Cl)cc2Cl)no1 ZINC000032779050 563734245 /nfs/dbraw/zinc/73/42/45/563734245.db2.gz KNUGVANXJVLKAI-UHFFFAOYSA-N 0 0 345.251 4.552 50 0 EJAARN Cc1ccccc1SCC(=O)Nc1ccc(-c2nccs2)cc1 ZINC000014075171 563737822 /nfs/dbraw/zinc/73/78/22/563737822.db2.gz MSHMECYIAVPZBX-UHFFFAOYSA-N 0 0 340.473 4.849 50 0 EJAARN CCCOc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1 ZINC000014108893 563741217 /nfs/dbraw/zinc/74/12/17/563741217.db2.gz RCISBBSKFIRBPL-UHFFFAOYSA-N 0 0 338.432 4.851 50 0 EJAARN CCc1noc(C)c1C(=O)Nc1nc(-c2cc(C)sc2C)cs1 ZINC000014120562 563742760 /nfs/dbraw/zinc/74/27/60/563742760.db2.gz YXGXFOWVYFKRIG-UHFFFAOYSA-N 0 0 347.465 4.600 50 0 EJAARN CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1ccc(OC(F)F)cc1 ZINC000014167975 563746614 /nfs/dbraw/zinc/74/66/14/563746614.db2.gz VZEPOSLRRSSIMY-UHFFFAOYSA-N 0 0 349.421 4.576 50 0 EJAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)Cc1c[nH]c2ccccc12 ZINC000014171890 563747110 /nfs/dbraw/zinc/74/71/10/563747110.db2.gz HYLREKQYCZBYNM-CYBMUJFWSA-N 0 0 349.459 4.540 50 0 EJAARN COc1cccc(CN(C)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000014185425 563748161 /nfs/dbraw/zinc/74/81/61/563748161.db2.gz ONEJTAJXGWIYIC-UHFFFAOYSA-N 0 0 339.222 4.666 50 0 EJAARN CSc1ccccc1NC(=O)c1ccc(Br)cc1F ZINC000014197000 563749370 /nfs/dbraw/zinc/74/93/70/563749370.db2.gz QAAGNCNKRBCECT-UHFFFAOYSA-N 0 0 340.217 4.562 50 0 EJAARN O=C(CCSc1ccc(Cl)cc1)NCC1(c2ccccc2)CC1 ZINC000014196582 563749391 /nfs/dbraw/zinc/74/93/91/563749391.db2.gz DALOANXSDBNXOC-UHFFFAOYSA-N 0 0 345.895 4.670 50 0 EJAARN Cc1noc(C)c1C(=O)Nc1ccccc1Oc1ccccc1Cl ZINC000014198557 563749668 /nfs/dbraw/zinc/74/96/68/563749668.db2.gz YEBNYFAZGKTGPB-UHFFFAOYSA-N 0 0 342.782 4.989 50 0 EJAARN Cc1ccc(-c2noc(CSc3nc4ccccc4o3)n2)cc1F ZINC000014197728 563749808 /nfs/dbraw/zinc/74/98/08/563749808.db2.gz HYQCAFUCJSKFPA-UHFFFAOYSA-N 0 0 341.367 4.618 50 0 EJAARN CC[C@@H](C)c1ccccc1NC(=O)CN(C)Cc1ccccc1Cl ZINC000014247882 563755001 /nfs/dbraw/zinc/75/50/01/563755001.db2.gz ZWORIVPMEZERPI-OAHLLOKOSA-N 0 0 344.886 4.924 50 0 EJAARN O=C(Nc1cccnc1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000032820668 563757613 /nfs/dbraw/zinc/75/76/13/563757613.db2.gz NSVIBDFCQOWKHF-UHFFFAOYSA-N 0 0 341.370 4.656 50 0 EJAARN C[C@H](NC(=O)COc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000014388910 563758431 /nfs/dbraw/zinc/75/84/31/563758431.db2.gz QCMDZXVTOIETHV-KRWDZBQOSA-N 0 0 331.415 4.610 50 0 EJAARN CC(=O)c1ccccc1NC(=O)C=Cc1ccc(C(F)(F)F)cc1 ZINC000014378811 563758474 /nfs/dbraw/zinc/75/84/74/563758474.db2.gz RCBPBGFWKWSACV-DHZHZOJOSA-N 0 0 333.309 4.560 50 0 EJAARN CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(N3CCCC3)cc2C)C1(C)C ZINC000032843271 563761288 /nfs/dbraw/zinc/76/12/88/563761288.db2.gz OKMMAIJJXOPUCS-HKUYNNGSSA-N 0 0 326.484 4.772 50 0 EJAARN Cc1ccc(CCC(=O)N[C@H](C)c2ccc(F)cc2F)cc1Cl ZINC000032847874 563762183 /nfs/dbraw/zinc/76/21/83/563762183.db2.gz UTVWCFPMWCYUEA-GFCCVEGCSA-N 0 0 337.797 4.737 50 0 EJAARN C[C@H](OC(=O)c1cccc2ccccc21)C(=O)c1cccc(Cl)c1 ZINC000014681867 563763034 /nfs/dbraw/zinc/76/30/34/563763034.db2.gz UPKBYUXSEJDRPQ-ZDUSSCGKSA-N 0 0 338.790 4.921 50 0 EJAARN C[C@@H]1CCN(C(=O)Cc2ccc(Cl)cc2)c2ccccc2S1 ZINC000014700622 563763446 /nfs/dbraw/zinc/76/34/46/563763446.db2.gz WNGMSGAEMOPXGR-CYBMUJFWSA-N 0 0 331.868 4.800 50 0 EJAARN C[C@H]1CCN(C(=O)Cc2ccc(Cl)cc2)c2ccccc2S1 ZINC000014700623 563763455 /nfs/dbraw/zinc/76/34/55/563763455.db2.gz WNGMSGAEMOPXGR-ZDUSSCGKSA-N 0 0 331.868 4.800 50 0 EJAARN O=C(NCCSC1CCCCC1)c1ccc(Cl)cc1Cl ZINC000004545806 563764279 /nfs/dbraw/zinc/76/42/79/563764279.db2.gz AVRGHTWHILYKTN-UHFFFAOYSA-N 0 0 332.296 4.789 50 0 EJAARN C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000032863178 563765222 /nfs/dbraw/zinc/76/52/22/563765222.db2.gz KINRCRIESHKJAH-TYNCELHUSA-N 0 0 328.378 4.644 50 0 EJAARN Cc1oc(-c2cccs2)nc1CN1CCCC[C@@H]1c1nccs1 ZINC000014977342 563769636 /nfs/dbraw/zinc/76/96/36/563769636.db2.gz HHTLPNYHOZANOS-CQSZACIVSA-N 0 0 345.493 4.895 50 0 EJAARN COc1cc(C)c(/C=C2\SC(=O)N(CC(C)C)C2=O)cc1C(C)C ZINC000015010667 563771860 /nfs/dbraw/zinc/77/18/60/563771860.db2.gz DNUSWSHYOCCORA-MFOYZWKCSA-N 0 0 347.480 4.819 50 0 EJAARN CCOC(=O)c1oc2c(cccc2C)c1CNc1ccccc1OC ZINC000015017649 563772966 /nfs/dbraw/zinc/77/29/66/563772966.db2.gz WQXBUEGTUQZZBZ-UHFFFAOYSA-N 0 0 339.391 4.539 50 0 EJAARN O=C1Nc2ccc(Cl)cc2[C@H]1Cc1ccc(OC2CCCC2)cc1 ZINC000015017462 563772977 /nfs/dbraw/zinc/77/29/77/563772977.db2.gz BSUSCZARRIOIAA-GOSISDBHSA-N 0 0 341.838 4.940 50 0 EJAARN CC(C)=C[C@@H]1[C@@H](C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)C1(C)C ZINC000015022287 563773894 /nfs/dbraw/zinc/77/38/94/563773894.db2.gz ITSBNEWNJSOISB-KLVZQQORSA-N 0 0 329.528 4.946 50 0 EJAARN COc1cc2c(cc1OC)[C@H](c1cccc(F)c1)O[C@H]1CCCC[C@@H]21 ZINC000015024265 563773943 /nfs/dbraw/zinc/77/39/43/563773943.db2.gz XEZFXTLWFUBFTN-XERREHJYSA-N 0 0 342.410 4.989 50 0 EJAARN CC(=O)c1c(C)[nH]c(C(=O)c2cc3c(ccc4ccccc34)o2)c1C ZINC000015215849 563779991 /nfs/dbraw/zinc/77/99/91/563779991.db2.gz GMEAEOBROLEGAV-UHFFFAOYSA-N 0 0 331.371 4.965 50 0 EJAARN COc1ccc(CNc2ncnc3scc(-c4ccccc4)c32)cc1 ZINC000015208030 563780001 /nfs/dbraw/zinc/78/00/01/563780001.db2.gz DTOIPMBKEVISHR-UHFFFAOYSA-N 0 0 347.443 4.979 50 0 EJAARN C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)cc1 ZINC000015340282 563783180 /nfs/dbraw/zinc/78/31/80/563783180.db2.gz NWERHAUROMUNIV-LLVKDONJSA-N 0 0 340.275 4.790 50 0 EJAARN C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)cc1 ZINC000015340284 563783227 /nfs/dbraw/zinc/78/32/27/563783227.db2.gz NWERHAUROMUNIV-NSHDSACASA-N 0 0 340.275 4.790 50 0 EJAARN CCOc1ccc(N(C(=O)Nc2ccccc2C)C2=NCCC2)cc1 ZINC000004570572 563786455 /nfs/dbraw/zinc/78/64/55/563786455.db2.gz QDCBDMOYWMKRQW-UHFFFAOYSA-N 0 0 337.423 4.625 50 0 EJAARN CCCCNc1nc2ccccc2n1Cc1cc(-c2ccco2)on1 ZINC000015552286 563786835 /nfs/dbraw/zinc/78/68/35/563786835.db2.gz MDHKDNITRFZJJK-UHFFFAOYSA-N 0 0 336.395 4.545 50 0 EJAARN COc1ccc2cc([C@H](C)C(=O)Nc3cc(F)ccc3F)ccc2c1 ZINC000015581626 563787558 /nfs/dbraw/zinc/78/75/58/563787558.db2.gz HHBXXLKQWSFWDN-LBPRGKRZSA-N 0 0 341.357 4.869 50 0 EJAARN C[C@H]1CCCCN1C(=O)c1cn(Cc2ccccc2)c2ccccc12 ZINC000032901812 563788424 /nfs/dbraw/zinc/78/84/24/563788424.db2.gz IRSWFGVIWCEMSD-KRWDZBQOSA-N 0 0 332.447 4.704 50 0 EJAARN C[C@H](NC(=O)CCC(=O)c1ccc(F)cc1)c1cccc2ccccc21 ZINC000015741603 563791431 /nfs/dbraw/zinc/79/14/31/563791431.db2.gz LSMXXQLNSQINNK-HNNXBMFYSA-N 0 0 349.405 4.819 50 0 EJAARN Cc1ccc2cccc(NC(=O)COc3ccc(C(C)C)cc3)c2n1 ZINC000015835288 563794093 /nfs/dbraw/zinc/79/40/93/563794093.db2.gz UBTQQIBAPKBKGY-UHFFFAOYSA-N 0 0 334.419 4.684 50 0 EJAARN Cc1ccc(-c2noc([C@H](C)Sc3nccn3C3CC3)n2)cc1F ZINC000032905717 563794101 /nfs/dbraw/zinc/79/41/01/563794101.db2.gz BHNGXZBGDXLYJP-NSHDSACASA-N 0 0 344.415 4.569 50 0 EJAARN Cc1ccc([C@H]2CCCCCN2C(=O)NCc2ccccc2)s1 ZINC000015867084 563798620 /nfs/dbraw/zinc/79/86/20/563798620.db2.gz YWXQQPPDTXHWFF-QGZVFWFLSA-N 0 0 328.481 4.883 50 0 EJAARN CCn1c(CSCc2c(Cl)cccc2Cl)n[nH]c1=S ZINC000015924010 563800106 /nfs/dbraw/zinc/80/01/06/563800106.db2.gz MZLUKFIIDUVGRL-UHFFFAOYSA-N 0 0 334.297 4.701 50 0 EJAARN Cc1cccc(Nc2ncnc3onc(-c4ccc(F)cc4)c32)c1C ZINC000015942888 563800556 /nfs/dbraw/zinc/80/05/56/563800556.db2.gz UVTPIEBCKYUPPY-UHFFFAOYSA-N 0 0 334.354 4.784 50 0 EJAARN O=C(CCC(=O)c1ccccc1)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000015982840 563801575 /nfs/dbraw/zinc/80/15/75/563801575.db2.gz KVAPAEADCAFBDZ-UHFFFAOYSA-N 0 0 341.410 4.859 50 0 EJAARN Cc1onc(-c2ccccc2)c1C(=O)N(C)Cc1cccc(Cl)c1 ZINC000015989900 563801638 /nfs/dbraw/zinc/80/16/38/563801638.db2.gz FZMJEWUUFUIPOW-UHFFFAOYSA-N 0 0 340.810 4.576 50 0 EJAARN O=C(Cc1cccc(C(F)(F)F)c1)Nc1cccc(Cl)c1F ZINC000015997440 563801658 /nfs/dbraw/zinc/80/16/58/563801658.db2.gz GAAIVDKHPKKARB-UHFFFAOYSA-N 0 0 331.696 4.679 50 0 EJAARN O=C(Cc1cccs1)NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000016180509 563805134 /nfs/dbraw/zinc/80/51/34/563805134.db2.gz NPRNRTREGVTUGL-UHFFFAOYSA-N 0 0 341.407 4.538 50 0 EJAARN CCc1cccc(C)c1NC(=O)CCCc1nc(-c2ccccc2)no1 ZINC000016162252 563805162 /nfs/dbraw/zinc/80/51/62/563805162.db2.gz SGKKMIPNWOHRDX-UHFFFAOYSA-N 0 0 349.434 4.569 50 0 EJAARN C[C@@H]1Sc2nc(-c3ccccc3)cn2N=C1c1c[nH]c2ccccc21 ZINC000016331451 563808822 /nfs/dbraw/zinc/80/88/22/563808822.db2.gz ZOXARXZOSILETN-ZDUSSCGKSA-N 0 0 344.443 4.778 50 0 EJAARN Cc1ccc2cccc(OCc3cc4c(c(Cl)c3)OCO4)c2n1 ZINC000016340806 563808891 /nfs/dbraw/zinc/80/88/91/563808891.db2.gz YYKRNDPQOXFSJP-UHFFFAOYSA-N 0 0 327.767 4.504 50 0 EJAARN O=C1OC(c2ccc(-c3ccccc3)cc2)=N/C1=C\c1cccs1 ZINC000004588771 563809732 /nfs/dbraw/zinc/80/97/32/563809732.db2.gz IULUZQNTKNKKII-AQTBWJFISA-N 0 0 331.396 4.760 50 0 EJAARN Cc1ccc(C(=O)NCc2cccc(COCc3ccco3)c2)c(C)c1 ZINC000032915077 563812707 /nfs/dbraw/zinc/81/27/07/563812707.db2.gz FMVBTSALYAMQBL-UHFFFAOYSA-N 0 0 349.430 4.543 50 0 EJAARN Cc1cc(C)cc(C(=O)NCc2cccc(COCc3ccco3)c2)c1 ZINC000032915084 563813275 /nfs/dbraw/zinc/81/32/75/563813275.db2.gz WCKNFBVUWAAMCY-UHFFFAOYSA-N 0 0 349.430 4.543 50 0 EJAARN Cc1nc(C)c(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)s1 ZINC000016576636 563814856 /nfs/dbraw/zinc/81/48/56/563814856.db2.gz WQUKRQMHHMVIAC-UHFFFAOYSA-N 0 0 348.431 4.556 50 0 EJAARN Cc1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc32)cc1 ZINC000016597803 563815448 /nfs/dbraw/zinc/81/54/48/563815448.db2.gz OHSPDFFBYCOUCA-UHFFFAOYSA-N 0 0 339.398 4.858 50 0 EJAARN CC[C@@H](C)Oc1cccc(C(=O)Nc2cccc3ccc(C)nc32)c1 ZINC000016610476 563817730 /nfs/dbraw/zinc/81/77/30/563817730.db2.gz CMHJOUJQXATUJW-OAHLLOKOSA-N 0 0 334.419 4.973 50 0 EJAARN Cc1cc(OCC(C)C)ccc1-c1nn(-c2ccccc2)cc1C=O ZINC000016752260 563822633 /nfs/dbraw/zinc/82/26/33/563822633.db2.gz TZMOGOHIVBBCNH-UHFFFAOYSA-N 0 0 334.419 4.695 50 0 EJAARN O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1Cl ZINC000017064516 563830554 /nfs/dbraw/zinc/83/05/54/563830554.db2.gz DKONHKRXHNNOQL-UHFFFAOYSA-N 0 0 348.151 4.942 50 0 EJAARN CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)no1 ZINC000017067161 563831328 /nfs/dbraw/zinc/83/13/28/563831328.db2.gz XRBOBVIFQOFBIT-UHFFFAOYSA-N 0 0 328.199 4.923 50 0 EJAARN Cc1ccc(C)c([C@H](C)NC(=S)NCc2ccc(Cl)cc2)c1 ZINC000017068488 563832398 /nfs/dbraw/zinc/83/23/98/563832398.db2.gz OQLPHKPQDZWNCX-AWEZNQCLSA-N 0 0 332.900 4.682 50 0 EJAARN CCOc1cc2c(cc1OCC)[C@H](c1ccc(CC)cc1)CC(=O)N2 ZINC000017071124 563833961 /nfs/dbraw/zinc/83/39/61/563833961.db2.gz HVLGKKAHRLHWBL-INIZCTEOSA-N 0 0 339.435 4.521 50 0 EJAARN CCN1C(=S)N=NC1c1cc(-c2ccccc2C)nc2ccccc21 ZINC000017072153 563835715 /nfs/dbraw/zinc/83/57/15/563835715.db2.gz INTCSNUGHYSZGC-UHFFFAOYSA-N 0 0 346.459 4.777 50 0 EJAARN Cc1cccc(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)c1 ZINC000017135450 563838050 /nfs/dbraw/zinc/83/80/50/563838050.db2.gz UMHKMDULSOVWFA-UHFFFAOYSA-N 0 0 335.798 4.521 50 0 EJAARN CC(C)[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000017265368 563841670 /nfs/dbraw/zinc/84/16/70/563841670.db2.gz NPPONDPRBOWTBX-IEBWSBKVSA-N 0 0 326.827 4.866 50 0 EJAARN Cc1ccc(SCCSc2nnc(-c3ccco3)n2C)cc1C ZINC000032931579 563841996 /nfs/dbraw/zinc/84/19/96/563841996.db2.gz DFWHOGAXUWSDII-UHFFFAOYSA-N 0 0 345.493 4.576 50 0 EJAARN COc1ccccc1NC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000032935972 563845007 /nfs/dbraw/zinc/84/50/07/563845007.db2.gz GTPLFDFTNCREEX-IBGZPJMESA-N 0 0 342.414 4.887 50 0 EJAARN CN(C(=O)NCCc1cc(Cl)cc(Cl)c1)C1CCCCC1 ZINC000072041393 563860643 /nfs/dbraw/zinc/86/06/43/563860643.db2.gz OUBFZJMSAQGUFT-UHFFFAOYSA-N 0 0 329.271 4.510 50 0 EJAARN Cc1ccc(C(=O)c2sc(Nc3cc(C)ccc3C)nc2N)cc1 ZINC000032947527 563863966 /nfs/dbraw/zinc/86/39/66/563863966.db2.gz JVXWETKYFIYBLB-UHFFFAOYSA-N 0 0 337.448 4.625 50 0 EJAARN CC(=O)c1ccc(OCCC(=O)OCc2cccc3ccccc32)cc1 ZINC000024201432 563869699 /nfs/dbraw/zinc/86/96/99/563869699.db2.gz ABFVAFIGVYUQQJ-UHFFFAOYSA-N 0 0 348.398 4.555 50 0 EJAARN CC[C@H](C)C(=O)NC[C@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000024435367 563871375 /nfs/dbraw/zinc/87/13/75/563871375.db2.gz HKKASRKKTLCNPJ-BBRMVZONSA-N 0 0 326.465 4.524 50 0 EJAARN O=C(c1ccc(Cl)o1)N1CCCc2cc(C(F)(F)F)ccc21 ZINC000024470673 563871593 /nfs/dbraw/zinc/87/15/93/563871593.db2.gz POHBXZROMMRUNW-UHFFFAOYSA-N 0 0 329.705 4.545 50 0 EJAARN O=C([C@@H]1Cc2ccccc2S1)N(Cc1ccccc1)c1ccccc1 ZINC000024955680 563878222 /nfs/dbraw/zinc/87/82/22/563878222.db2.gz YLRSRRZMDDXKSN-NRFANRHFSA-N 0 0 345.467 4.937 50 0 EJAARN Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(C)c(C)c2)cn1 ZINC000025032709 563879978 /nfs/dbraw/zinc/87/99/78/563879978.db2.gz QQWMBIGGUJHXOA-OAQYLSRUSA-N 0 0 330.431 4.526 50 0 EJAARN O=C(N[C@H]1CCCC[C@H]1C(F)(F)F)c1cc(Cl)ccc1Cl ZINC000025047720 563880293 /nfs/dbraw/zinc/88/02/93/563880293.db2.gz FHHKPKHQHZSQQJ-PWSUYJOCSA-N 0 0 340.172 4.844 50 0 EJAARN Cc1c(C(=O)N2CCCCCC2)sc2nc(C(C)(C)C)nc(C)c12 ZINC000025176105 563881872 /nfs/dbraw/zinc/88/18/72/563881872.db2.gz NCBVEGDKKNPEMQ-UHFFFAOYSA-N 0 0 345.512 4.622 50 0 EJAARN CCC[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(OCC)cc3)=NN21 ZINC000025581859 563886088 /nfs/dbraw/zinc/88/60/88/563886088.db2.gz FSVQBXUFAOCYLX-CTNGQTDRSA-N 0 0 336.435 4.755 50 0 EJAARN Cc1cccc(C(=O)N(C)Cc2ccc(-c3ccc(Cl)cc3)o2)n1 ZINC000025945170 563889207 /nfs/dbraw/zinc/88/92/07/563889207.db2.gz BEBCBFHZGRMVAF-UHFFFAOYSA-N 0 0 340.810 4.576 50 0 EJAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccccc1C ZINC000025949776 563889275 /nfs/dbraw/zinc/88/92/75/563889275.db2.gz OSQPTDCOGRLCJS-UHFFFAOYSA-N 0 0 330.453 4.602 50 0 EJAARN C[C@@H](Sc1ncnc2ccsc21)c1nc(-c2cccs2)no1 ZINC000026118039 563889861 /nfs/dbraw/zinc/88/98/61/563889861.db2.gz SOEJURBIZQPHOQ-MRVPVSSYSA-N 0 0 346.462 4.656 50 0 EJAARN CSc1nnc(S[C@H](C)c2ncc(-c3ccccc3)o2)s1 ZINC000069975533 563892757 /nfs/dbraw/zinc/89/27/57/563892757.db2.gz NJMCJPHFGXKPHG-SECBINFHSA-N 0 0 335.479 4.768 50 0 EJAARN C[C@@H](Sc1ncnc2ccsc21)C(=O)c1ccc2c(c1)CCC2 ZINC000026959879 563894121 /nfs/dbraw/zinc/89/41/21/563894121.db2.gz SIYIYJIHEPALHJ-LLVKDONJSA-N 0 0 340.473 4.544 50 0 EJAARN O=C(Nc1ccc(Oc2ccncc2)cc1)[C@H]1CCCc2ccccc21 ZINC000070005517 563894336 /nfs/dbraw/zinc/89/43/36/563894336.db2.gz WDARHPOFUYBMIL-NRFANRHFSA-N 0 0 344.414 4.933 50 0 EJAARN COc1cccc(-c2cn3cc(-c4cccc(Cl)c4)nc3n2C)c1 ZINC000027117771 563894876 /nfs/dbraw/zinc/89/48/76/563894876.db2.gz UWCRWFSHDOSSDS-UHFFFAOYSA-N 0 0 337.810 4.669 50 0 EJAARN Cc1ccc(-c2nnc(SCc3ccc(-n4cccn4)cc3)o2)cc1 ZINC000027425825 563895823 /nfs/dbraw/zinc/89/58/23/563895823.db2.gz AITLTQZHWKIKPZ-UHFFFAOYSA-N 0 0 348.431 4.523 50 0 EJAARN COc1ccccc1C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 ZINC000027662825 563898378 /nfs/dbraw/zinc/89/83/78/563898378.db2.gz VGFIXNVWAGYMSR-GFCCVEGCSA-N 0 0 344.480 4.555 50 0 EJAARN C[C@H]1CCc2noc(NC(=O)c3sc4ccccc4c3Cl)c2C1 ZINC000027794553 563899702 /nfs/dbraw/zinc/89/97/02/563899702.db2.gz LUGYWNNZKBPJRG-VIFPVBQESA-N 0 0 346.839 4.920 50 0 EJAARN C[C@@H]1CCc2noc(NC(=O)c3sc4ccccc4c3Cl)c2C1 ZINC000027794550 563899767 /nfs/dbraw/zinc/89/97/67/563899767.db2.gz LUGYWNNZKBPJRG-SECBINFHSA-N 0 0 346.839 4.920 50 0 EJAARN Cc1cc2occ(CC(=O)N(C)[C@@H]3CCc4ccccc43)c2cc1C ZINC000027825215 563899886 /nfs/dbraw/zinc/89/98/86/563899886.db2.gz FIWIJDROTYHDCI-HXUWFJFHSA-N 0 0 333.431 4.738 50 0 EJAARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)n1cnc2ccccc21 ZINC000003091320 563901162 /nfs/dbraw/zinc/90/11/62/563901162.db2.gz FWZUPWTYPDPXKU-UHFFFAOYSA-N 0 0 339.704 4.789 50 0 EJAARN CCc1ccc2oc(C(=O)Nc3ccc(NC(C)=O)cc3)c(C)c2c1 ZINC000028403323 563902806 /nfs/dbraw/zinc/90/28/06/563902806.db2.gz CCEKGDQQMGYNLL-UHFFFAOYSA-N 0 0 336.391 4.514 50 0 EJAARN O=C(Nc1nc(-c2ccc[nH]2)cs1)c1cc2c(s1)CCCCC2 ZINC000029352025 563905863 /nfs/dbraw/zinc/90/58/63/563905863.db2.gz XQGGHHOLONMMPB-UHFFFAOYSA-N 0 0 343.477 4.721 50 0 EJAARN CCc1cccc(C)c1NC(=O)c1cnn(-c2cccc(C)c2)c1C ZINC000029460416 563906365 /nfs/dbraw/zinc/90/63/65/563906365.db2.gz HCJBNVBDYNPOTP-UHFFFAOYSA-N 0 0 333.435 4.612 50 0 EJAARN Cc1csc([C@H]2CCCCN2C(=O)C[C@@H]2CCc3ccccc32)n1 ZINC000072285663 563907225 /nfs/dbraw/zinc/90/72/25/563907225.db2.gz HQTWPCIYSFRWBY-FUHWJXTLSA-N 0 0 340.492 4.625 50 0 EJAARN CCN(C(=O)Nc1cccc(N(C)C(C)C)c1)[C@H](C)c1cccnc1 ZINC000072286346 563907408 /nfs/dbraw/zinc/90/74/08/563907408.db2.gz RQSCJTJYSOPHSN-MRXNPFEDSA-N 0 0 340.471 4.541 50 0 EJAARN Cc1ccc(Nc2nc(Cl)nc3c2cnn3-c2ccccc2)cc1C ZINC000032500100 563913800 /nfs/dbraw/zinc/91/38/00/563913800.db2.gz VWXKQQKCSYBBLH-UHFFFAOYSA-N 0 0 349.825 4.829 50 0 EJAARN CCc1onc(C)c1[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 ZINC000033270602 563915609 /nfs/dbraw/zinc/91/56/09/563915609.db2.gz VEGYTDQCHNERBJ-CQSZACIVSA-N 0 0 333.819 4.568 50 0 EJAARN COc1ccc(-c2csc(NC(=O)/C=C\c3cccs3)n2)cc1 ZINC000033320551 563915828 /nfs/dbraw/zinc/91/58/28/563915828.db2.gz YEZMYZGXAPPNAJ-HJWRWDBZSA-N 0 0 342.445 4.532 50 0 EJAARN O=C(Nc1cc(Br)ccc1O)c1cccc2ccccc21 ZINC000000206985 563917018 /nfs/dbraw/zinc/91/70/18/563917018.db2.gz JFVYKBGYXDRPLX-UHFFFAOYSA-N 0 0 342.192 4.560 50 0 EJAARN COc1ccc([C@H]2CC(=O)C[C@H](c3ccc(OC)cc3)S2)cc1 ZINC000000225223 563917146 /nfs/dbraw/zinc/91/71/46/563917146.db2.gz ICRGSDQNZOTTTN-RTBURBONSA-N 0 0 328.433 4.582 50 0 EJAARN O=C1C[C@H](c2ccccc2)CCc2sc(Br)cc2N1 ZINC000000291805 563917262 /nfs/dbraw/zinc/91/72/62/563917262.db2.gz KCEFDBWUOXNUPM-LLVKDONJSA-N 0 0 336.254 4.569 50 0 EJAARN Cc1nc2ccc(NC(=S)NC(C)(C)CC(C)(C)C)cc2nc1C ZINC000000445664 563917491 /nfs/dbraw/zinc/91/74/91/563917491.db2.gz FZTUGFDLPGKXLG-UHFFFAOYSA-N 0 0 344.528 4.748 50 0 EJAARN Cc1cc(OCCOc2cccc3cccnc32)cc(C)c1Cl ZINC000002983634 563918787 /nfs/dbraw/zinc/91/87/87/563918787.db2.gz JXRQZXBZIQEWOC-UHFFFAOYSA-N 0 0 327.811 4.963 50 0 aggregator EJAARN CCCc1[nH]nc(-c2ccc(C)cc2C)c1NC(=O)C1CCCC1 ZINC000034794907 563919640 /nfs/dbraw/zinc/91/96/40/563919640.db2.gz VTIRAOBAENEGSG-UHFFFAOYSA-N 0 0 325.456 4.775 50 0 EJAARN CCc1[nH]nc(-c2ccccc2Cl)c1NC(=O)c1cccs1 ZINC000034796403 563919722 /nfs/dbraw/zinc/91/97/22/563919722.db2.gz MZZQFWHJIPXUSQ-UHFFFAOYSA-N 0 0 331.828 4.606 50 0 EJAARN Cc1cccc(-c2nnc(-c3cnc4onc(C5CCCC5)c4c3)o2)c1 ZINC000071890715 563920841 /nfs/dbraw/zinc/92/08/41/563920841.db2.gz QNQAMEXQMDBOLE-UHFFFAOYSA-N 0 0 346.390 4.906 50 0 EJAARN O=C(c1csc2c1CCCC2)N1CCC(Cc2ccccc2)CC1 ZINC000032997983 563921855 /nfs/dbraw/zinc/92/18/55/563921855.db2.gz TWFXSKQZRNELOR-UHFFFAOYSA-N 0 0 339.504 4.722 50 0 EJAARN Cc1ccc(N2C(=O)CS[C@H]2c2cccc3cccnc32)c(C)c1 ZINC000039050014 563922424 /nfs/dbraw/zinc/92/24/24/563922424.db2.gz UGSDCFBILCGGGT-FQEVSTJZSA-N 0 0 334.444 4.630 50 0 EJAARN S=C(NCCc1ccc(Cl)cc1Cl)Nc1ccccc1 ZINC000013577065 563930264 /nfs/dbraw/zinc/93/02/64/563930264.db2.gz PHEIVHDGUJGWGL-UHFFFAOYSA-N 0 0 325.264 4.523 50 0 EJAARN Cc1ccc(-c2ccc(CCC(=O)NCCc3ccccc3)o2)cc1C ZINC000033027735 563931410 /nfs/dbraw/zinc/93/14/10/563931410.db2.gz FWYPQFKUKNXEML-UHFFFAOYSA-N 0 0 347.458 4.855 50 0 EJAARN CCc1cccc(NC(=S)N2c3ccc(F)cc3CC[C@@H]2C)c1 ZINC000072332213 563933335 /nfs/dbraw/zinc/93/33/35/563933335.db2.gz PYLIPUIFSUMZTJ-ZDUSSCGKSA-N 0 0 328.456 4.926 50 0 EJAARN Cc1cnn([C@H](C)C2CC2)c1NC(=O)c1ccc(CC(C)C)cc1 ZINC000055326330 563934430 /nfs/dbraw/zinc/93/44/30/563934430.db2.gz RNHDKCVEDSXSPG-OAHLLOKOSA-N 0 0 325.456 4.613 50 0 EJAARN Cc1cc2cc(CNC(=S)Nc3cccc(C)c3C)ccc2n1C ZINC000013878782 563935792 /nfs/dbraw/zinc/93/57/92/563935792.db2.gz QGIWSAYPKLZBNZ-UHFFFAOYSA-N 0 0 337.492 4.590 50 0 EJAARN Cc1c2ccccc2sc1C(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000058023864 563936883 /nfs/dbraw/zinc/93/68/83/563936883.db2.gz HUWRPAOMLIKOON-PJPHBNEVSA-N 0 0 325.477 4.860 50 0 EJAARN O=C(Nc1cccc(COCC2CC2)c1)c1ccc(F)cc1Cl ZINC000058066062 563937203 /nfs/dbraw/zinc/93/72/03/563937203.db2.gz YUNOAQHUDNSYKO-UHFFFAOYSA-N 0 0 333.790 4.658 50 0 EJAARN O=C(NCCSC1CCCC1)Nc1ccc(OC2CCCC2)cc1 ZINC000058087160 563937293 /nfs/dbraw/zinc/93/72/93/563937293.db2.gz WIQFZUISBXAJLC-UHFFFAOYSA-N 0 0 348.512 4.805 50 0 EJAARN CCCCCN(C(=O)c1[nH]c2c(c1C)C(=O)CCC2)[C@H](C)CCC ZINC000058130070 563937562 /nfs/dbraw/zinc/93/75/62/563937562.db2.gz KEMNIOHXOJPHOL-CQSZACIVSA-N 0 0 332.488 4.663 50 0 EJAARN O=[S@@](Cc1ccc(Cl)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000058131877 563937686 /nfs/dbraw/zinc/93/76/86/563937686.db2.gz QTFFGLRZBOLFPX-OAQYLSRUSA-N 0 0 332.774 4.808 50 0 EJAARN CC(C)c1cccc(C(C)C)c1NC(=O)CNCc1ccccc1F ZINC000058160852 563938416 /nfs/dbraw/zinc/93/84/16/563938416.db2.gz TWNNHLPKRDRGBN-UHFFFAOYSA-N 0 0 342.458 4.801 50 0 EJAARN CC(=O)c1sc(-c2ccc(Nc3nc(C)cs3)cc2)nc1C ZINC000058210149 563940000 /nfs/dbraw/zinc/94/00/00/563940000.db2.gz SAJHZPDMLJABQV-UHFFFAOYSA-N 0 0 329.450 4.830 50 0 EJAARN CCN(C)c1cccc(NC(=O)N2CCC[C@@H]2c2ccccc2C)c1 ZINC000058323190 563942491 /nfs/dbraw/zinc/94/24/91/563942491.db2.gz OARJDUISCYSJCY-HXUWFJFHSA-N 0 0 337.467 4.820 50 0 EJAARN CCn1c(=O)c2ccccc2nc1S[C@@H](C)c1cc(F)ccc1F ZINC000058333190 563942884 /nfs/dbraw/zinc/94/28/84/563942884.db2.gz AJXWHIZSNNUFFD-NSHDSACASA-N 0 0 346.402 4.548 50 0 EJAARN CN(Cc1cccc2ccccc21)C(=O)[C@@H]1CCCc2ccccc21 ZINC000058357642 563943657 /nfs/dbraw/zinc/94/36/57/563943657.db2.gz RVZXUBGWPQPPOC-JOCHJYFZSA-N 0 0 329.443 4.918 50 0 EJAARN CN(Cc1cccc2ccccc21)C(=O)[C@H]1CCCc2ccccc21 ZINC000058357643 563943667 /nfs/dbraw/zinc/94/36/67/563943667.db2.gz RVZXUBGWPQPPOC-QFIPXVFZSA-N 0 0 329.443 4.918 50 0 EJAARN O=C(Nc1nc2ccccc2s1)N[C@@H](c1ccco1)c1ccccc1 ZINC000058377716 563944183 /nfs/dbraw/zinc/94/41/83/563944183.db2.gz YJFMACCQDOWFHY-QGZVFWFLSA-N 0 0 349.415 4.800 50 0 EJAARN Cc1nc(NC(=O)c2cc3c(s2)CCC3)sc1-c1ccccc1 ZINC000058391366 563944526 /nfs/dbraw/zinc/94/45/26/563944526.db2.gz WPQQHMIBFXWHDC-UHFFFAOYSA-N 0 0 340.473 4.921 50 0 EJAARN Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCCc2ccccc21 ZINC000058439455 563946507 /nfs/dbraw/zinc/94/65/07/563946507.db2.gz BJXYIFPHICANDY-UHFFFAOYSA-N 0 0 336.822 4.790 50 0 EJAARN Nc1c(-c2ccc(Cl)cc2)cnn1-c1ccc(Br)cc1 ZINC000059227579 563947749 /nfs/dbraw/zinc/94/77/49/563947749.db2.gz VKWOWAPXAQJGEG-UHFFFAOYSA-N 0 0 348.631 4.537 50 0 EJAARN CCN1c2ccccc2/C(=C\c2c(OC)ccc3ccccc32)C1=O ZINC000059182382 563947759 /nfs/dbraw/zinc/94/77/59/563947759.db2.gz IORSYFRUVFORFU-XMHGGMMESA-N 0 0 329.399 4.756 50 0 EJAARN CC[C@@H](Nc1ccc(CN2CCCC2=O)cc1)c1ccc(F)cc1 ZINC000096415082 563951061 /nfs/dbraw/zinc/95/10/61/563951061.db2.gz KCHWJMDSZQJARM-LJQANCHMSA-N 0 0 326.415 4.511 50 0 EJAARN C[C@H](Nc1ccc(COC2CCCC2)cc1)c1nc(C2CC2)no1 ZINC000096417574 563951252 /nfs/dbraw/zinc/95/12/52/563951252.db2.gz WFUJPNFOTBJEQB-ZDUSSCGKSA-N 0 0 327.428 4.579 50 0 EJAARN Cc1cccc(C(C)C)c1NC(=O)N[C@H](CCCO)c1ccccc1 ZINC000096420089 563951420 /nfs/dbraw/zinc/95/14/20/563951420.db2.gz SYQFPRQJDVIVGX-LJQANCHMSA-N 0 0 340.467 4.754 50 0 EJAARN CC[C@@H]1CN(CC(=O)NC2CCCCCCC2)c2ccccc2S1 ZINC000033059303 563951742 /nfs/dbraw/zinc/95/17/42/563951742.db2.gz IZJAOFYFSKFELR-QGZVFWFLSA-N 0 0 346.540 4.606 50 0 EJAARN Cc1nc(CN(C)C(=O)Nc2cc(-c3ccco3)ccc2F)cs1 ZINC000096435475 563952451 /nfs/dbraw/zinc/95/24/51/563952451.db2.gz YAQCPUYZIMNAAX-UHFFFAOYSA-N 0 0 345.399 4.515 50 0 EJAARN COCc1nc(CNc2cccc(COC3CCCCC3)c2)cs1 ZINC000096461381 563954070 /nfs/dbraw/zinc/95/40/70/563954070.db2.gz GWGBUKXOXKUPNJ-UHFFFAOYSA-N 0 0 346.496 4.751 50 0 EJAARN C[C@H](c1cccs1)S(=O)(=O)[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000096471565 563954677 /nfs/dbraw/zinc/95/46/77/563954677.db2.gz CDJTYNLYLQAJBI-CHWSQXEVSA-N 0 0 347.461 4.640 50 0 EJAARN O=C(NC1CCCCCC1)c1sc2ncccc2c1-n1cccc1 ZINC000033059820 563954683 /nfs/dbraw/zinc/95/46/83/563954683.db2.gz BFWVIQNWAKYNDZ-UHFFFAOYSA-N 0 0 339.464 4.540 50 0 EJAARN COc1ccccc1[C@H](C)N[C@H](c1ccncc1)c1ccc(F)cc1 ZINC000096477233 563955019 /nfs/dbraw/zinc/95/50/19/563955019.db2.gz KQRAZMLBPRLNLZ-BTYIYWSLSA-N 0 0 336.410 4.670 50 0 EJAARN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cccc(C)c1Cl ZINC000165571457 563955172 /nfs/dbraw/zinc/95/51/72/563955172.db2.gz NCWHUTSMYSKKOK-UHFFFAOYSA-N 0 0 344.842 4.804 50 0 EJAARN CCCc1cc([C@@H]2CCCN2C(=O)Nc2ccccc2CC)no1 ZINC000064984811 563957772 /nfs/dbraw/zinc/95/77/72/563957772.db2.gz SBSPSOTWZWQVQG-SFHVURJKSA-N 0 0 327.428 4.559 50 0 EJAARN CCOc1ccccc1NC(=O)N1CCC[C@@H]1c1cc(C(C)C)no1 ZINC000064985085 563957889 /nfs/dbraw/zinc/95/78/89/563957889.db2.gz YYZJPIOBCDTUSF-MRXNPFEDSA-N 0 0 343.427 4.566 50 0 EJAARN CC[C@@H](c1ccnn1C)n1cnc(-c2ccccc2)c1-c1ccco1 ZINC000065386114 563959280 /nfs/dbraw/zinc/95/92/80/563959280.db2.gz YVPKOQLIJRTPRF-INIZCTEOSA-N 0 0 332.407 4.543 50 0 EJAARN Cc1ccc(CNc2cccc(C(=O)N3CC=C[C@H]3C(C)C)c2)s1 ZINC000065393776 563959510 /nfs/dbraw/zinc/95/95/10/563959510.db2.gz VNNVWZUGAJLKHN-IBGZPJMESA-N 0 0 340.492 4.705 50 0 EJAARN CC/C=C\CCc1c(-c2ccccc2)ncn1CCn1ccnc1C ZINC000065426097 563960677 /nfs/dbraw/zinc/96/06/77/563960677.db2.gz NJXSSOIUWJZWJZ-PLNGDYQASA-N 0 0 334.467 4.654 50 0 EJAARN CC(C)C(=O)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000065465982 563961289 /nfs/dbraw/zinc/96/12/89/563961289.db2.gz HSKPHSQOFYBPHP-CQSZACIVSA-N 0 0 327.390 4.533 50 0 EJAARN CC[C@H]1C[C@@H](NC(=O)c2ccccc2)C[C@@H](c2ccc(Cl)cc2)O1 ZINC000065530740 563961878 /nfs/dbraw/zinc/96/18/78/563961878.db2.gz XCHRLDXBVPTDEP-QYZOEREBSA-N 0 0 343.854 4.769 50 0 EJAARN Cc1ccc2[nH]c(CN3CCC[C@@H]3c3cc(C(C)C)on3)nc2c1C ZINC000067908373 563963019 /nfs/dbraw/zinc/96/30/19/563963019.db2.gz CSBIRWFZBNTTRU-QGZVFWFLSA-N 0 0 338.455 4.628 50 0 EJAARN Cc1nc(-c2ccc(NC(=O)Nc3cccc(Cl)c3C)cc2)no1 ZINC000033077093 563963402 /nfs/dbraw/zinc/96/34/02/563963402.db2.gz OQIHYKYWZFFAOB-UHFFFAOYSA-N 0 0 342.786 4.651 50 0 EJAARN Cc1cc(N2CCCCC2)nc2ccc(NC(=O)CC(C)C)cc12 ZINC000033084549 563963403 /nfs/dbraw/zinc/96/34/03/563963403.db2.gz YEGBQIVSVYWYKG-UHFFFAOYSA-N 0 0 325.456 4.518 50 0 EJAARN O=C(COc1ccccc1)Nc1cccc(-c2cc3ccccc3[nH]2)c1 ZINC000033106081 563963502 /nfs/dbraw/zinc/96/35/02/563963502.db2.gz MANDNISNZRJUAG-UHFFFAOYSA-N 0 0 342.398 4.852 50 0 EJAARN C[C@@H](O)c1cccc(NC(=O)CC(c2ccccc2)c2ccccc2)c1 ZINC000004666591 563963561 /nfs/dbraw/zinc/96/35/61/563963561.db2.gz LLRQRPRKCYLCFX-QGZVFWFLSA-N 0 0 345.442 4.901 50 0 EJAARN Clc1cc(CSc2n[nH]c(-c3cccs3)n2)cc(Cl)n1 ZINC000060533571 563964678 /nfs/dbraw/zinc/96/46/78/563964678.db2.gz MRVFTTKEXKKKOJ-UHFFFAOYSA-N 0 0 343.264 4.527 50 0 EJAARN CSc1ccc(-c2nc(CN3CCC(F)(F)CC3)c(C)o2)cc1 ZINC000071639012 563964670 /nfs/dbraw/zinc/96/46/70/563964670.db2.gz AGYNQXLUMLJYTM-UHFFFAOYSA-N 0 0 338.423 4.603 50 0 EJAARN CC[C@]12CCC3=C(CCc4cc(OC)ccc43)C1=CCC21OCCO1 ZINC000071770699 563965639 /nfs/dbraw/zinc/96/56/39/563965639.db2.gz NXEGVMCSFNENEF-NRFANRHFSA-N 0 0 338.447 4.658 50 0 EJAARN CC[C@H](C)N1C(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2C1=O ZINC000004704030 563965881 /nfs/dbraw/zinc/96/58/81/563965881.db2.gz PWDYQCQLJMPVRY-QRYOHXEKSA-N 0 0 337.463 4.549 50 0 EJAARN CCCn1c(CCc2ccc(NC(=O)C3CC3)cc2)nc2ccccc21 ZINC000033252638 563966093 /nfs/dbraw/zinc/96/60/93/563966093.db2.gz NLUMVUMXQNLRGE-UHFFFAOYSA-N 0 0 347.462 4.580 50 0 EJAARN CCCC(=O)Nc1ccc(CCc2nc3ccccc3n2CCC)cc1 ZINC000033252640 563966103 /nfs/dbraw/zinc/96/61/03/563966103.db2.gz OPKNFTYMQKGDNP-UHFFFAOYSA-N 0 0 349.478 4.970 50 0 EJAARN Cc1ccc(C(=O)N2CCc3nc(-c4ccc(C)cc4)sc3C2)cc1 ZINC000033255888 563966142 /nfs/dbraw/zinc/96/61/42/563966142.db2.gz PEUUEFCQRZIYEI-UHFFFAOYSA-N 0 0 348.471 4.625 50 0 EJAARN Cc1noc(C)c1COC(=O)/C=C\c1cccc(-c2ccccc2)c1 ZINC000097097074 563967470 /nfs/dbraw/zinc/96/74/70/563967470.db2.gz CQVZQLQOWPVEJY-QXMHVHEDSA-N 0 0 333.387 4.715 50 0 EJAARN CC(C)Cc1ccc([C@H](C)C(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000000075114 563967583 /nfs/dbraw/zinc/96/75/83/563967583.db2.gz RQALFBAYWUEKQO-KRWDZBQOSA-N 0 0 348.490 4.829 50 0 biogenic,in-vitro EJAARN CC1CCC2(CC1)SCC(=O)N2c1cccc(C(F)(F)F)c1 ZINC000000034464 563967815 /nfs/dbraw/zinc/96/78/15/563967815.db2.gz DEOBOZKPUGHKIK-UHFFFAOYSA-N 0 0 329.387 4.692 50 0 EJAARN Cc1nc(C(C)C)sc1C(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000077339838 563969027 /nfs/dbraw/zinc/96/90/27/563969027.db2.gz LUVSSIKXWIRNQV-HNNXBMFYSA-N 0 0 332.444 4.691 50 0 EJAARN Fc1ccc2[nH]c([C@@H]3CCCN3Cc3cc(F)cc(Cl)c3)nc2c1 ZINC000077376068 563969244 /nfs/dbraw/zinc/96/92/44/563969244.db2.gz FYZOFHUHPKDUPN-KRWDZBQOSA-N 0 0 347.796 4.832 50 0 EJAARN CSCc1ccc(C(=O)N2CCCC[C@@H]2c2cccc(F)c2)o1 ZINC000077406113 563969422 /nfs/dbraw/zinc/96/94/22/563969422.db2.gz YALBLTUGTKFAJJ-MRXNPFEDSA-N 0 0 333.428 4.649 50 0 EJAARN O=C(N[C@H]1CC[C@@H]2CCC[C@@H]21)c1cc(N2CCCCC2)ccc1Cl ZINC000077472409 563969938 /nfs/dbraw/zinc/96/99/38/563969938.db2.gz KRTAMRNCLPJIOE-QOKNQOGYSA-N 0 0 346.902 4.639 50 0 EJAARN COCc1nc(CS[C@@H](C)c2ncc(-c3ccccc3)o2)cs1 ZINC000097014843 563971010 /nfs/dbraw/zinc/97/10/10/563971010.db2.gz AJMGWWBQOJEZOO-LBPRGKRZSA-N 0 0 346.477 4.939 50 0 EJAARN CCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)cc1C ZINC000033292577 563973092 /nfs/dbraw/zinc/97/30/92/563973092.db2.gz UKWHKHGSMRKELQ-UHFFFAOYSA-N 0 0 349.434 4.865 50 0 EJAARN CCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccccc1C ZINC000033292585 563973096 /nfs/dbraw/zinc/97/30/96/563973096.db2.gz NHVUGENRHRLSJQ-UHFFFAOYSA-N 0 0 335.407 4.557 50 0 EJAARN O=C(/C=C\c1ccccc1)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000033308015 563973445 /nfs/dbraw/zinc/97/34/45/563973445.db2.gz ONHRMIFSXPGLGO-JYRVWZFOSA-N 0 0 348.427 4.652 50 0 EJAARN Cc1nc(Nc2ccccc2)sc1C(=O)Nc1cc(C)ccc1F ZINC000033312218 563973572 /nfs/dbraw/zinc/97/35/72/563973572.db2.gz VMKWGXKSDHIPEF-UHFFFAOYSA-N 0 0 341.411 4.895 50 0 EJAARN CCC[C@H](O)c1nc2ccccc2n1CCOc1cc(C)ccc1C ZINC000033317732 563973682 /nfs/dbraw/zinc/97/36/82/563973682.db2.gz WTBSHCXVRLRMEW-IBGZPJMESA-N 0 0 338.451 4.566 50 0 EJAARN CCC[C@H](O)c1nc2ccccc2n1CCOc1ccc(C)cc1C ZINC000033317723 563973690 /nfs/dbraw/zinc/97/36/90/563973690.db2.gz AYJMFUCJJQHDDO-IBGZPJMESA-N 0 0 338.451 4.566 50 0 EJAARN CC(C)(C)OC(=O)n1ncc2c1cc(OCc1ccccc1)cc2F ZINC000085224303 563973766 /nfs/dbraw/zinc/97/37/66/563973766.db2.gz AEEAXDCVECAIPT-UHFFFAOYSA-N 0 0 342.370 4.538 50 0 EJAARN CC(C)Cc1ccc([C@@H](C)C(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000000075110 563974480 /nfs/dbraw/zinc/97/44/80/563974480.db2.gz RQALFBAYWUEKQO-QGZVFWFLSA-N 0 0 348.490 4.829 50 0 biogenic,in-vitro EJAARN Cc1ccc(-c2nn(CNc3ccc(Cl)cc3)c(=S)o2)cc1 ZINC000000078063 563974511 /nfs/dbraw/zinc/97/45/11/563974511.db2.gz ANBURLOPFUXDKK-UHFFFAOYSA-N 0 0 331.828 4.904 50 0 EJAARN Cc1ccc(N(C(=O)Nc2ccccc2)C2=NC[C@H](C)S2)cc1C ZINC000000077107 563974532 /nfs/dbraw/zinc/97/45/32/563974532.db2.gz BNNGLQLUWQZTBZ-HNNXBMFYSA-N 0 0 339.464 4.833 50 0 EJAARN CNC(=O)c1cccc(NCc2ccc(-c3ccccc3Cl)o2)c1 ZINC000158027218 563974977 /nfs/dbraw/zinc/97/49/77/563974977.db2.gz QOECPJRIMXQKEK-UHFFFAOYSA-N 0 0 340.810 4.572 50 0 EJAARN O=C1Nc2ccc(Br)cc2/C1=C\c1cccc(Cl)c1 ZINC000000086880 563975896 /nfs/dbraw/zinc/97/58/96/563975896.db2.gz GXAHQMQHHHLBDQ-NTUHNPAUSA-N 0 0 334.600 4.595 50 0 EJAARN CC(C)c1ccc(C(=O)N2CCC[C@@H](c3nccn3C(C)C)C2)cc1 ZINC000095516599 563977341 /nfs/dbraw/zinc/97/73/41/563977341.db2.gz UKXGDMHZNZQCPR-LJQANCHMSA-N 0 0 339.483 4.607 50 0 EJAARN CN(CCC1(O)CCCC1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000096133822 563979424 /nfs/dbraw/zinc/97/94/24/563979424.db2.gz JKYVFWODXNGOLK-UHFFFAOYSA-N 0 0 338.451 4.513 50 0 EJAARN CCOC(=O)[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@H]4O)[C@H]3CC[C@H]2C1 ZINC000247647323 563980078 /nfs/dbraw/zinc/98/00/78/563980078.db2.gz KTWYNZKAJLJVPO-DOMGEYNRSA-N 0 0 348.527 4.569 50 0 EJAARN CCN(C(=O)c1csc(-c2ccsc2)n1)c1ccccc1C ZINC000044040054 563980889 /nfs/dbraw/zinc/98/08/89/563980889.db2.gz SMDYOSPDRYRDLX-UHFFFAOYSA-N 0 0 328.462 4.847 50 0 EJAARN S=C(Nc1ccc2ccccc2c1)N(Cc1cccnc1)C1CC1 ZINC000044058206 563981182 /nfs/dbraw/zinc/98/11/82/563981182.db2.gz USHSHWNKAWLVAZ-UHFFFAOYSA-N 0 0 333.460 4.596 50 0 EJAARN Clc1ccc([C@H]2CC(c3ccccc3)=Nc3ncnn32)c(Cl)c1 ZINC000100702276 563982716 /nfs/dbraw/zinc/98/27/16/563982716.db2.gz UHRPEROKXVXBOA-MRXNPFEDSA-N 0 0 343.217 4.641 50 0 EJAARN Cc1cc(NCc2ccc(-c3ccccc3)o2)nc(-c2ccncc2)n1 ZINC000060860615 563983109 /nfs/dbraw/zinc/98/31/09/563983109.db2.gz RDQJWWOMHZOPNR-UHFFFAOYSA-N 0 0 342.402 4.719 50 0 EJAARN O=C(c1ccccc1Cl)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000014349123 563984003 /nfs/dbraw/zinc/98/40/03/563984003.db2.gz DDARFMYSPQXTIK-UHFFFAOYSA-N 0 0 336.822 4.751 50 0 EJAARN Cc1ccc(S(=O)(=O)[C@@H]2c3ccccc3N=C2c2ccccc2)cc1 ZINC000107253735 563984020 /nfs/dbraw/zinc/98/40/20/563984020.db2.gz SLVIAVIKIFHJFC-OAQYLSRUSA-N 0 0 347.439 4.644 50 0 EJAARN CC(=O)c1ccccc1NC(=O)c1ccccc1Cc1ccccc1 ZINC000014379064 563984050 /nfs/dbraw/zinc/98/40/50/563984050.db2.gz VNVRKUPFVBDKIA-UHFFFAOYSA-N 0 0 329.399 4.732 50 0 EJAARN CC(C)N[P@](=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)c1ccccc1 ZINC000263621489 563984225 /nfs/dbraw/zinc/98/42/25/563984225.db2.gz ADULCGJWFWMRGU-DYVMYPEFSA-N 0 0 337.444 4.980 50 0 biogenic EJAARN Cc1ccccc1NC(=O)N1CCn2cccc2[C@@H]1c1ccccc1C ZINC000033415039 563984312 /nfs/dbraw/zinc/98/43/12/563984312.db2.gz UPWYDPKUHNEFFY-NRFANRHFSA-N 0 0 345.446 4.742 50 0 EJAARN FC(F)(F)c1cnc([C@H]2N=C2c2ccccc2Cl)c(Cl)c1 ZINC000263639699 563984333 /nfs/dbraw/zinc/98/43/33/563984333.db2.gz DXYPFNARJQCKLU-ZDUSSCGKSA-N 0 0 331.124 4.951 50 0 EJAARN O=C(CCSc1ccccc1F)Nc1ccc(OC(F)F)cc1 ZINC000014673154 563986381 /nfs/dbraw/zinc/98/63/81/563986381.db2.gz RUAQICIEMDHROE-UHFFFAOYSA-N 0 0 341.354 4.548 50 0 EJAARN CCCc1nn(-c2ccccc2F)c2c1C(=O)C[C@H](c1ccccc1)C2 ZINC000000107090 563986498 /nfs/dbraw/zinc/98/64/98/563986498.db2.gz DKEOROCYVVMNAD-MRXNPFEDSA-N 0 0 348.421 4.877 50 0 EJAARN Cc1[nH]c2c3c1CCN1C(=O)OC4(CCCCC4)[C@@]1(C)c3ccc2C ZINC000000118038 563986724 /nfs/dbraw/zinc/98/67/24/563986724.db2.gz WROBRAPERGCHFE-HXUWFJFHSA-N 0 0 338.451 4.711 50 0 EJAARN C[C@H]1CCc2c(sc(N)c2C(=O)Nc2cccc3ccccc32)C1 ZINC000000127312 563986892 /nfs/dbraw/zinc/98/68/92/563986892.db2.gz OKVAKKACCHSYDD-LBPRGKRZSA-N 0 0 336.460 4.861 50 0 EJAARN Cc1cc(=O)oc2cc(OC(=O)c3ccc(Cl)c(Cl)c3)ccc12 ZINC000000129498 563986936 /nfs/dbraw/zinc/98/69/36/563986936.db2.gz FHMFVJSZUMOELT-UHFFFAOYSA-N 0 0 349.169 4.627 50 0 EJAARN CC(=O)c1cccc(NC(=O)c2ccccc2CCc2ccccc2)c1 ZINC000000129759 563986944 /nfs/dbraw/zinc/98/69/44/563986944.db2.gz UAQKIOJOMDKNBX-UHFFFAOYSA-N 0 0 343.426 4.927 50 0 EJAARN Cc1ccc(NC(=O)N(C2=NC[C@@H](C)S2)c2ccccc2)cc1 ZINC000000135404 563986999 /nfs/dbraw/zinc/98/69/99/563986999.db2.gz GUKJNAXGWLHPAH-CQSZACIVSA-N 0 0 325.437 4.525 50 0 EJAARN CCOc1ccc(/C=C/C(=O)Nc2ccc(C)cc2C)cc1OCC ZINC000000147394 563987247 /nfs/dbraw/zinc/98/72/47/563987247.db2.gz FFWZFLCOPOLKMI-FMIVXFBMSA-N 0 0 339.435 4.753 50 0 EJAARN COc1ccc(O)c(C2=Nc3ccccc3N=C(C(F)(F)F)C2)c1 ZINC000000185462 563987940 /nfs/dbraw/zinc/98/79/40/563987940.db2.gz VJCBKRAQOVXTHI-UHFFFAOYSA-N 0 0 334.297 4.560 50 0 EJAARN Cc1cccc2c(C(=O)N3CCCCC3)cc(-c3ccccc3)nc12 ZINC000000187553 563987970 /nfs/dbraw/zinc/98/79/70/563987970.db2.gz DHGIVUYTILMJPR-UHFFFAOYSA-N 0 0 330.431 4.836 50 0 EJAARN Cc1cc(C)nc(Sc2nnc(-c3ccccc3)c3ccccc32)n1 ZINC000000188642 563988004 /nfs/dbraw/zinc/98/80/04/563988004.db2.gz XIFHDEBNJRQXSU-UHFFFAOYSA-N 0 0 344.443 4.855 50 0 EJAARN CCCC(=O)N[C@H](C)c1nc2ccccc2n1Cc1cc(C)ccc1C ZINC000000200849 563988324 /nfs/dbraw/zinc/98/83/24/563988324.db2.gz LMNJLVUXPLTVHX-QGZVFWFLSA-N 0 0 349.478 4.679 50 0 EJAARN COc1ccc([C@@H]2n3c4ccccc4nc3-c3ccccc3N2C)cc1 ZINC000000203611 563988432 /nfs/dbraw/zinc/98/84/32/563988432.db2.gz GGXWQBHCDCLJPB-QFIPXVFZSA-N 0 0 341.414 4.709 50 0 EJAARN O=C(CCn1c2ccccc2oc1=S)NC1CCCCCCC1 ZINC000000224668 563988994 /nfs/dbraw/zinc/98/89/94/563988994.db2.gz SJKICMHTMIBVSP-UHFFFAOYSA-N 0 0 332.469 4.583 50 0 biogenic EJAARN CSc1cccc(NC(=O)CCn2c3ccccc3oc2=S)c1 ZINC000000224625 563988998 /nfs/dbraw/zinc/98/89/98/563988998.db2.gz AOCGYQDRVLBORI-UHFFFAOYSA-N 0 0 344.461 4.714 50 0 EJAARN Cc1cccc(C)c1NC(=O)CCn1c2ccccc2oc1=S ZINC000000224614 563989005 /nfs/dbraw/zinc/98/90/05/563989005.db2.gz ZCNCFJKRXLTANO-UHFFFAOYSA-N 0 0 326.421 4.609 50 0 EJAARN S=C(Nc1cccc(Cl)c1)N1CCCC[C@H]1c1cccnc1 ZINC000000240168 563989086 /nfs/dbraw/zinc/98/90/86/563989086.db2.gz XRFCUIFRWRWNSC-INIZCTEOSA-N 0 0 331.872 4.659 50 0 biogenic EJAARN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C)c2ccccc2)cc1 ZINC000000246303 563989379 /nfs/dbraw/zinc/98/93/79/563989379.db2.gz UNGSPAGEBGDKMK-NRFANRHFSA-N 0 0 336.479 4.621 50 0 EJAARN Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3F)cc2)c1 ZINC000000259704 563989610 /nfs/dbraw/zinc/98/96/10/563989610.db2.gz DAGJUZWLCJBFOC-UHFFFAOYSA-N 0 0 348.377 4.639 50 0 EJAARN Cc1ccc(C)c(NC(=O)c2c3ccccc3nc3c2CCCC3)c1 ZINC000000264475 563989869 /nfs/dbraw/zinc/98/98/69/563989869.db2.gz NDYLZZNFVFJBQU-UHFFFAOYSA-N 0 0 330.431 4.983 50 0 EJAARN CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](C)CC ZINC000000260877 563989911 /nfs/dbraw/zinc/98/99/11/563989911.db2.gz WKIVQVHZMJTSOC-OAHLLOKOSA-N 0 0 332.447 4.993 50 0 EJAARN O=C(c1cccs1)N1CCS[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000000327994 563991171 /nfs/dbraw/zinc/99/11/71/563991171.db2.gz FYIZDJWDACNZAC-CQSZACIVSA-N 0 0 343.395 4.655 50 0 EJAARN CCc1cccc2c([C@@H](CC(=O)NC3CC3)c3cccc(C)c3)c[nH]c21 ZINC000000327287 563991249 /nfs/dbraw/zinc/99/12/49/563991249.db2.gz ZAXCPNLPUZIOSB-FQEVSTJZSA-N 0 0 346.474 4.839 50 0 EJAARN CC(C)OC(=O)c1c(-c2ccccc2)csc1NC(=O)C1CCC1 ZINC000000355261 563991628 /nfs/dbraw/zinc/99/16/28/563991628.db2.gz ILOGLBUQADZRNT-UHFFFAOYSA-N 0 0 343.448 4.719 50 0 EJAARN Cc1cccc(OCc2nnc(SCc3ccc(Cl)cc3)o2)c1 ZINC000000380972 563991912 /nfs/dbraw/zinc/99/19/12/563991912.db2.gz SERRBOIDYYXNEA-UHFFFAOYSA-N 0 0 346.839 4.903 50 0 EJAARN Cc1ccnc(N2C(=O)c3ccccc3[C@H]2Nc2ccccc2Cl)c1 ZINC000004900333 563992310 /nfs/dbraw/zinc/99/23/10/563992310.db2.gz UDZJTGJVAXCZJB-IBGZPJMESA-N 0 0 349.821 4.815 50 0 EJAARN CCc1cccc(N[C@H]2c3ccccc3C(=O)N2c2ccc(C)cn2)c1 ZINC000004916918 563992431 /nfs/dbraw/zinc/99/24/31/563992431.db2.gz FPOWWJZKMNOXQS-OAQYLSRUSA-N 0 0 343.430 4.724 50 0 EJAARN O=C(c1cc2c(s1)-c1ccccc1OC2)N1CCCc2ccccc21 ZINC000005050256 563994028 /nfs/dbraw/zinc/99/40/28/563994028.db2.gz ODXSLBSGXQQYCZ-UHFFFAOYSA-N 0 0 347.439 4.901 50 0 EJAARN CCc1nnc(NC(=O)c2cc(-c3ccccc3Cl)oc2C)s1 ZINC000005059624 563994101 /nfs/dbraw/zinc/99/41/01/563994101.db2.gz QDXVQHJWAKCQAE-UHFFFAOYSA-N 0 0 347.827 4.575 50 0 EJAARN CC[C@@H](C)[C@H](N)c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 ZINC000005082393 563994233 /nfs/dbraw/zinc/99/42/33/563994233.db2.gz JIADJVQUGRKWHR-PELKAZGASA-N 0 0 346.283 4.715 50 0 EJAARN Cc1ccc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)cc1 ZINC000005146718 563994685 /nfs/dbraw/zinc/99/46/85/563994685.db2.gz RDJDIELBPXAMKJ-UHFFFAOYSA-N 0 0 347.443 4.552 50 0 EJAARN CCc1nc2c3ccccc3oc2c(Nc2cc(OC)ccc2OC)n1 ZINC000005156475 563995003 /nfs/dbraw/zinc/99/50/03/563995003.db2.gz PMUIGORJGKPEEU-UHFFFAOYSA-N 0 0 349.390 4.699 50 0 EJAARN C[C@@H](Sc1nnc(-c2ccccn2)n1C)c1ccc(F)c(Cl)c1 ZINC000124723922 563995280 /nfs/dbraw/zinc/99/52/80/563995280.db2.gz UTPBZIWZMMTFSH-SNVBAGLBSA-N 0 0 348.834 4.523 50 0 EJAARN Cc1ccc(NC(=O)[C@H](C)Sc2cc(-c3ccccc3)ncn2)cc1 ZINC000011903090 563995409 /nfs/dbraw/zinc/99/54/09/563995409.db2.gz QOQQUBYJHLVGKF-HNNXBMFYSA-N 0 0 349.459 4.571 50 0 EJAARN CC1(C)CN(C(=O)c2cnoc2-c2ccccc2)C[C@@H]1c1ccccc1 ZINC000426602516 563996361 /nfs/dbraw/zinc/99/63/61/563996361.db2.gz NXMPPKVKZGYYCJ-LJQANCHMSA-N 0 0 346.430 4.607 50 0 EJAARN O=C1OC(c2ccccc2)=NC1=C1C(c2ccccc2)=C1c1ccccc1 ZINC000000315975 563996788 /nfs/dbraw/zinc/99/67/88/563996788.db2.gz MOWHZQRQCISIBQ-UHFFFAOYSA-N 0 0 349.389 4.869 50 0 EJAARN Cc1ccc(C)c(NC(=O)c2cc3c4ccccc4[nH]c3c(C)n2)c1 ZINC000000344138 563996802 /nfs/dbraw/zinc/99/68/02/563996802.db2.gz WUQPIACXRPHRQP-UHFFFAOYSA-N 0 0 329.403 4.894 50 0 EJAARN C[C@H](NC(=O)c1ccc[nH]c1=S)c1cc2cc(Cl)ccc2o1 ZINC000136713395 563997899 /nfs/dbraw/zinc/99/78/99/563997899.db2.gz WBOFOQISNPYDNX-VIFPVBQESA-N 0 0 332.812 4.635 50 0 EJAARN CC(C)N[P@@](=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)c1ccccc1 ZINC000005165363 563998057 /nfs/dbraw/zinc/99/80/57/563998057.db2.gz ADULCGJWFWMRGU-UYCVCSCRSA-N 0 0 337.444 4.980 50 0 biogenic EJAARN Cc1ccc(-c2nnc(SCc3ccc(Cl)cc3)n2C)cc1 ZINC000000421408 563998306 /nfs/dbraw/zinc/99/83/06/563998306.db2.gz GBPANACLFBTYAI-UHFFFAOYSA-N 0 0 329.856 4.736 50 0 EJAARN O=C1CS[C@@H](c2cccc(F)c2)N1c1cccc(C(F)(F)F)c1 ZINC000000423842 563998382 /nfs/dbraw/zinc/99/83/82/563998382.db2.gz ICWRFUPEVOSWDK-HNNXBMFYSA-N 0 0 341.329 4.623 50 0 EJAARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccc(OC(F)F)cc2)cc1C ZINC000000423966 563998403 /nfs/dbraw/zinc/99/84/03/563998403.db2.gz QBRLRFKFWMZCEO-QGZVFWFLSA-N 0 0 349.402 4.683 50 0 EJAARN CSc1ccc(-c2nc3ncccn3c2NC2CCCCC2)cc1 ZINC000000428787 563998907 /nfs/dbraw/zinc/99/89/07/563998907.db2.gz RXRGYWUMMMYOQU-UHFFFAOYSA-N 0 0 338.480 4.863 50 0 EJAARN Cc1cccc(-n2ncc3c2ncnc3Nc2ccc(C)c(Cl)c2)c1 ZINC000000426397 563999021 /nfs/dbraw/zinc/99/90/21/563999021.db2.gz IIPZMUYNNPIFBA-UHFFFAOYSA-N 0 0 349.825 4.829 50 0 EJAARN Cc1ccc(-n2ncc3c2ncnc3Nc2cc(C)ccc2C)c(C)c1 ZINC000000426383 563999046 /nfs/dbraw/zinc/99/90/46/563999046.db2.gz HUYAOMTWXOJVMN-UHFFFAOYSA-N 0 0 343.434 4.793 50 0 EJAARN CC[C@H](C)NC(=O)c1cc(Nc2ccccc2C)nc2ccccc21 ZINC000000429187 563999139 /nfs/dbraw/zinc/99/91/39/563999139.db2.gz HWLQJFHARKRIJU-HNNXBMFYSA-N 0 0 333.435 4.815 50 0 EJAARN O=c1oc2c(cc(O)cc2-c2cc(C(F)(F)F)ccc2Cl)s1 ZINC000000211629 563999201 /nfs/dbraw/zinc/99/92/01/563999201.db2.gz AAVFBARFNBCGIP-UHFFFAOYSA-N 0 0 346.713 4.899 50 0 EJAARN Cc1ccc(N2C(=O)CS[C@H]2c2c(F)cccc2Cl)cc1F ZINC000000431350 563999448 /nfs/dbraw/zinc/99/94/48/563999448.db2.gz PWDPELYFOYWAPU-INIZCTEOSA-N 0 0 339.794 4.705 50 0 EJAARN CCOC(=O)c1c(CC(C)C)csc1NC(=O)c1ccccc1F ZINC000000227442 563999791 /nfs/dbraw/zinc/99/97/91/563999791.db2.gz PBAAKXCPJZOVOF-UHFFFAOYSA-N 0 0 349.427 4.515 50 0 EJAARN Cc1nc(-c2ccccc2)oc1C(=O)Nc1c(C)cc(C)nc1Cl ZINC000079523779 564001011 /nfs/dbraw/zinc/00/10/11/564001011.db2.gz TYYPZKHUAYQKRE-UHFFFAOYSA-N 0 0 341.798 4.568 50 0 EJAARN CCOc1ccc2[nH]c3c(ncnc3NCCCc3ccccc3)c2c1 ZINC000005215694 564001131 /nfs/dbraw/zinc/00/11/31/564001131.db2.gz KALMZJXIDLMDOR-UHFFFAOYSA-N 0 0 346.434 4.555 50 0 EJAARN COc1ccc(Cl)cc1Nc1ncnc2c3ccccc3oc21 ZINC000005254521 564001603 /nfs/dbraw/zinc/00/16/03/564001603.db2.gz ADSHQKZGDDCIDS-UHFFFAOYSA-N 0 0 325.755 4.782 50 0 EJAARN C[C@@H](Nc1ccc(-c2ccccc2)cc1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000005261900 564001633 /nfs/dbraw/zinc/00/16/33/564001633.db2.gz BWZZFAIARHLJQN-KZNAEPCWSA-N 0 0 336.479 4.659 50 0 EJAARN COCCn1cc(NC(=O)Nc2ccccc2Cl)c2ccccc21 ZINC000005266481 564001670 /nfs/dbraw/zinc/00/16/70/564001670.db2.gz VOCPRNIDXYDNIB-UHFFFAOYSA-N 0 0 343.814 4.585 50 0 EJAARN Cn1cc(NC(=O)N2CCC(Cc3ccccc3)CC2)c2ccccc21 ZINC000005265568 564001741 /nfs/dbraw/zinc/00/17/41/564001741.db2.gz TUFNAEFYTODQIJ-UHFFFAOYSA-N 0 0 347.462 4.665 50 0 EJAARN COc1ccc(OC)c(Nc2nc(-c3ccc(C)cc3)cs2)c1 ZINC000001022810 564002276 /nfs/dbraw/zinc/00/22/76/564002276.db2.gz DPMHIJCFQJDBGC-UHFFFAOYSA-N 0 0 326.421 4.879 50 0 EJAARN CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2)N3)C1 ZINC000005274708 564002318 /nfs/dbraw/zinc/00/23/18/564002318.db2.gz FCPFDXUBFKRDPZ-DYVFJYSZSA-N 0 0 340.492 4.753 50 0 EJAARN Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CCNC(=O)c2ccco2)C1(C)C ZINC000005274537 564002331 /nfs/dbraw/zinc/00/23/31/564002331.db2.gz RYNNDFMUPGRFQM-DNVCBOLYSA-N 0 0 336.435 4.629 50 0 EJAARN O=C(Nc1c[nH]c2ccccc12)N1CCC(Cc2ccccc2)CC1 ZINC000005299803 564002532 /nfs/dbraw/zinc/00/25/32/564002532.db2.gz DXDKHTLJCZHUFR-UHFFFAOYSA-N 0 0 333.435 4.655 50 0 EJAARN O=C(Nc1ncnc2sccc21)c1sc2ccccc2c1Cl ZINC000005299426 564002547 /nfs/dbraw/zinc/00/25/47/564002547.db2.gz CYTOKYOIZPPSIG-UHFFFAOYSA-N 0 0 345.836 4.812 50 0 EJAARN Cc1cc(CSc2nnc(-c3cc4c(s3)CC[C@@H](C)C4)o2)no1 ZINC000005320943 564002568 /nfs/dbraw/zinc/00/25/68/564002568.db2.gz CBFKADLGJOMBMF-SECBINFHSA-N 0 0 347.465 4.512 50 0 EJAARN COc1cccc(-c2nc3nc(-c4ccccc4)oc3c(Cl)n2)c1 ZINC000061997348 564002595 /nfs/dbraw/zinc/00/25/95/564002595.db2.gz FJSBPVYUDZKZBH-UHFFFAOYSA-N 0 0 337.766 4.614 50 0 EJAARN CCCSc1nc(-c2cccc(OC)c2)nc2c1COC(C)(C)C2 ZINC000005325095 564002656 /nfs/dbraw/zinc/00/26/56/564002656.db2.gz DYWBUQJYLGNVOC-UHFFFAOYSA-N 0 0 344.480 4.506 50 0 EJAARN Cc1cc(C(=O)OCc2ncc(-c3ccccc3)o2)c2ccccc2n1 ZINC000005356666 564002899 /nfs/dbraw/zinc/00/28/99/564002899.db2.gz BONQYCRWUYHUHY-UHFFFAOYSA-N 0 0 344.370 4.555 50 0 EJAARN CCc1cccc(C)c1NC(=O)c1cc(Cl)c2c(c1)OCCCO2 ZINC000005403774 564003670 /nfs/dbraw/zinc/00/36/70/564003670.db2.gz HVNZOMRYKXZIPP-UHFFFAOYSA-N 0 0 345.826 4.624 50 0 EJAARN O=C(Nc1ccc(Cl)cc1F)c1ccc(OC(F)(F)F)cc1 ZINC000002616502 564003866 /nfs/dbraw/zinc/00/38/66/564003866.db2.gz GCQHUXSIRWITLH-UHFFFAOYSA-N 0 0 333.668 4.630 50 0 EJAARN CC(C)(C)c1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)cc1 ZINC000003193406 564004167 /nfs/dbraw/zinc/00/41/67/564004167.db2.gz CPFCZGDWVDFPIK-UHFFFAOYSA-N 0 0 325.305 4.793 50 0 EJAARN COc1ccc(-c2nnc(SC)n2-c2ccccc2C(C)C)cc1 ZINC000003302992 564004387 /nfs/dbraw/zinc/00/43/87/564004387.db2.gz OQHDPBYIKNMZAU-UHFFFAOYSA-N 0 0 339.464 4.788 50 0 EJAARN O=C(Oc1ccc(C(=O)c2ccc(F)cc2)cc1)C1CCCCC1 ZINC000003326820 564004435 /nfs/dbraw/zinc/00/44/35/564004435.db2.gz OKUXEUNPQCTGBU-UHFFFAOYSA-N 0 0 326.367 4.542 50 0 EJAARN Cc1onc(-c2ccccc2)c1C(=O)Oc1cc(C)ccc1Cl ZINC000003556343 564004675 /nfs/dbraw/zinc/00/46/75/564004675.db2.gz MNTKNKTXWVIPPO-UHFFFAOYSA-N 0 0 327.767 4.831 50 0 EJAARN CC1(C)c2ccccc2N2CCC(=O)N[C@]21/C=C/c1cccc(F)c1 ZINC000005485603 564004676 /nfs/dbraw/zinc/00/46/76/564004676.db2.gz TZKLBLRWAFSXPF-XMZCSZCVSA-N 0 0 336.410 4.693 50 0 EJAARN CCc1cc(C)c(C(=O)Nc2cnn(-c3cccc(Cl)c3)c2C)o1 ZINC000151994950 564004919 /nfs/dbraw/zinc/00/49/19/564004919.db2.gz PYCPFTKAMVYFED-UHFFFAOYSA-N 0 0 343.814 4.550 50 0 EJAARN Cc1ccc(Nc2ncc3c(n2)C[C@H](c2ccc(F)cc2)CC3=O)cc1 ZINC000005516429 564004951 /nfs/dbraw/zinc/00/49/51/564004951.db2.gz CLSZSJFNMSPSQA-HNNXBMFYSA-N 0 0 347.393 4.580 50 0 EJAARN Cc1c2ccc3ccccc3c2oc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000005552476 564005264 /nfs/dbraw/zinc/00/52/64/564005264.db2.gz VBFFRQWZVVYJQU-UHFFFAOYSA-N 0 0 345.354 4.875 50 0 EJAARN Cc1ccc(-n2ncc3c2ncnc3SCc2cccc(C)c2)cc1 ZINC000005561103 564005599 /nfs/dbraw/zinc/00/55/99/564005599.db2.gz GLIWZBPULAIMLS-UHFFFAOYSA-N 0 0 346.459 4.725 50 0 EJAARN CCOc1ccc(Oc2ccc(NC(=O)c3ccncc3)cc2)cc1 ZINC000005632439 564006774 /nfs/dbraw/zinc/00/67/74/564006774.db2.gz VVCVRMQIVFGUMU-UHFFFAOYSA-N 0 0 334.375 4.525 50 0 EJAARN Cc1cc(C(=O)CSc2ccccn2)c(C)n1Cc1cccs1 ZINC000005635776 564006817 /nfs/dbraw/zinc/00/68/17/564006817.db2.gz LXKPDPITTKXEKX-UHFFFAOYSA-N 0 0 342.489 4.585 50 0 EJAARN Cc1cc(SCC(=O)NC2CCCCCCC2)nc2ccccc12 ZINC000005656611 564007048 /nfs/dbraw/zinc/00/70/48/564007048.db2.gz DOMNKXMFAXKMGC-UHFFFAOYSA-N 0 0 342.508 4.864 50 0 EJAARN COC1(c2noc(-c3ccc(C4SCCCS4)cc3)n2)CCC1 ZINC000274109938 564008186 /nfs/dbraw/zinc/00/81/86/564008186.db2.gz UEENPECURKKUPX-UHFFFAOYSA-N 0 0 348.493 4.631 50 0 EJAARN CCN(c1ccccc1)c1ncnc2c1cnn2-c1cccc(Cl)c1 ZINC000017288298 564011478 /nfs/dbraw/zinc/01/14/78/564011478.db2.gz LDAMFPDLFUODMX-UHFFFAOYSA-N 0 0 349.825 4.627 50 0 EJAARN CC(C)NC(=S)N[C@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000017458147 564011915 /nfs/dbraw/zinc/01/19/15/564011915.db2.gz LMZJPZOZXBRRGH-SFHVURJKSA-N 0 0 344.549 4.589 50 0 EJAARN COc1ccc(CNc2ccccc2SC)cc1Br ZINC000000279548 564012336 /nfs/dbraw/zinc/01/23/36/564012336.db2.gz QHRHLZLJRNJMGM-UHFFFAOYSA-N 0 0 338.270 4.792 50 0 EJAARN Cc1cc(Br)ccc1NC(=O)/C=C/c1ccc(F)cc1 ZINC000000452888 564012648 /nfs/dbraw/zinc/01/26/48/564012648.db2.gz PTPUNMXWCYKHAZ-RUDMXATFSA-N 0 0 334.188 4.549 50 0 EJAARN CC(C)(C)c1ccccc1NC(=O)c1ccccc1Br ZINC000000465842 564012682 /nfs/dbraw/zinc/01/26/82/564012682.db2.gz SOOZXSWVIVMZLE-UHFFFAOYSA-N 0 0 332.241 4.999 50 0 EJAARN Cc1oc(-c2ccccc2)nc1C(=O)N(C)Cc1ccccc1Cl ZINC000017917939 564013275 /nfs/dbraw/zinc/01/32/75/564013275.db2.gz HEPPQYZUZQDIBP-UHFFFAOYSA-N 0 0 340.810 4.576 50 0 EJAARN O=C(CCc1ncc(-c2ccccc2F)o1)Oc1ccccc1Cl ZINC000014731740 564014976 /nfs/dbraw/zinc/01/49/76/564014976.db2.gz DLINJAIVMMHTBF-UHFFFAOYSA-N 0 0 345.757 4.672 50 0 EJAARN O=C(/C=C/c1ccco1)N1CCCC[C@H](c2ccc(Cl)cc2)C1 ZINC000206876112 564015295 /nfs/dbraw/zinc/01/52/95/564015295.db2.gz TVXJKRASIONUOI-OFAQMXQXSA-N 0 0 329.827 4.743 50 0 EJAARN Cc1nn(C)cc1NC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000189723909 564016503 /nfs/dbraw/zinc/01/65/03/564016503.db2.gz QINQKWDDSJPUBG-KRWDZBQOSA-N 0 0 346.862 4.531 50 0 EJAARN CC(C)CNC(=O)c1cccc(COc2ccc3ccccc3c2)c1 ZINC000000484234 564016920 /nfs/dbraw/zinc/01/69/20/564016920.db2.gz VNTTXKVVDZEYCH-UHFFFAOYSA-N 0 0 333.431 4.805 50 0 EJAARN COc1ccc(OC)c(NC(=O)c2ccccc2Oc2ccccc2)c1 ZINC000005670254 564016923 /nfs/dbraw/zinc/01/69/23/564016923.db2.gz RCRPEWXOHKYUIC-UHFFFAOYSA-N 0 0 349.386 4.748 50 0 EJAARN CCc1nc2c(c(N3CCCC3)n1)C1(CCCC1)Cc1ccccc1-2 ZINC000000492896 564017629 /nfs/dbraw/zinc/01/76/29/564017629.db2.gz OXVISZULECFNFK-UHFFFAOYSA-N 0 0 333.479 4.674 50 0 EJAARN C[C@@H]1CCc2sc3nc(SCc4ccccc4)nc(N)c3c2C1 ZINC000000495788 564017979 /nfs/dbraw/zinc/01/79/79/564017979.db2.gz JRSXKWSZOXSHJI-LLVKDONJSA-N 0 0 341.505 4.691 50 0 EJAARN C[C@@H]1C[C@H](c2nc(-c3cccc(Br)c3)cs2)CCO1 ZINC000000497079 564018097 /nfs/dbraw/zinc/01/80/97/564018097.db2.gz YNLILRFUBKENFI-ZYHUDNBSSA-N 0 0 338.270 4.855 50 0 EJAARN COc1nc(-c2ccc(C)cc2)ccc1-c1noc(-c2ccccc2)n1 ZINC000000498644 564018251 /nfs/dbraw/zinc/01/82/51/564018251.db2.gz IJDJGYVRTMHCLG-UHFFFAOYSA-N 0 0 343.386 4.783 50 0 EJAARN COc1nc(-c2ccc(Cl)cc2)ccc1-c1noc(C(C)C)n1 ZINC000000498690 564018279 /nfs/dbraw/zinc/01/82/79/564018279.db2.gz NQFABXBQUCDJHY-UHFFFAOYSA-N 0 0 329.787 4.584 50 0 EJAARN C[C@H](NC(=O)Nc1ccc(F)cc1F)c1ccc2c(c1)CCCC2 ZINC000018174143 564018536 /nfs/dbraw/zinc/01/85/36/564018536.db2.gz VTGCMURHEQVEEH-LBPRGKRZSA-N 0 0 330.378 4.726 50 0 EJAARN O=C([C@@H](Sc1ccccc1)c1ccccc1)n1nnc2ccccc21 ZINC000005684588 564018579 /nfs/dbraw/zinc/01/85/79/564018579.db2.gz LIZMPEKFDDZTHF-IBGZPJMESA-N 0 0 345.427 4.605 50 0 EJAARN COC(=O)C1=CS[C@](Cc2ccccc2)(c2ccccc2)S1 ZINC000018194570 564018670 /nfs/dbraw/zinc/01/86/70/564018670.db2.gz LLSIZJHNEKXLHW-SFHVURJKSA-N 0 0 328.458 4.577 50 0 EJAARN CCc1cccc(CC)c1NC(=S)NCc1ccc(Cl)cc1 ZINC000005689569 564018858 /nfs/dbraw/zinc/01/88/58/564018858.db2.gz KVQWERZXTFOECM-UHFFFAOYSA-N 0 0 332.900 4.951 50 0 EJAARN Cc1ccc(SCC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 ZINC000018221269 564018864 /nfs/dbraw/zinc/01/88/64/564018864.db2.gz LIFYTPSDUPCKLI-AWEZNQCLSA-N 0 0 325.433 4.711 50 0 EJAARN Cc1cccnc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000018231161 564018896 /nfs/dbraw/zinc/01/88/96/564018896.db2.gz TYGXDVWRIQUAKA-UHFFFAOYSA-N 0 0 348.246 4.680 50 0 EJAARN Cc1cc2nccc(-c3ccccc3OCc3ccc(Cl)cc3)n2n1 ZINC000005697976 564019293 /nfs/dbraw/zinc/01/92/93/564019293.db2.gz WULBLSVCYIYJPR-UHFFFAOYSA-N 0 0 349.821 4.937 50 0 EJAARN O=C(Oc1ccc(Br)cc1Cl)c1ccc(Cl)cc1 ZINC000000504652 564019358 /nfs/dbraw/zinc/01/93/58/564019358.db2.gz GTTWZHZSASTPBL-UHFFFAOYSA-N 0 0 346.007 4.975 50 0 EJAARN CCCc1nc2sc3c(ncnc3SC)c2c2c1CCCC2 ZINC000000506991 564019551 /nfs/dbraw/zinc/01/95/51/564019551.db2.gz UWDNVLFSWLMGHW-UHFFFAOYSA-N 0 0 329.494 4.793 50 0 EJAARN COc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1 ZINC000000507905 564019748 /nfs/dbraw/zinc/01/97/48/564019748.db2.gz SZGXFOQLDGGVFH-VKXNWWILSA-N 0 0 348.446 4.563 50 0 EJAARN CC[C@H]1c2ccsc2CCN1C(=O)CCc1c[nH]c2ccccc12 ZINC000014142270 564021474 /nfs/dbraw/zinc/02/14/74/564021474.db2.gz OSIGUGGBTUHKOD-SFHVURJKSA-N 0 0 338.476 4.698 50 0 EJAARN COc1ccc(/C=C(/C(=O)N2CCCCCC2)c2ccccc2)cc1 ZINC000000532391 564021570 /nfs/dbraw/zinc/02/15/70/564021570.db2.gz JCXZEYAOKYDYAU-HEHNFIMWSA-N 0 0 335.447 4.638 50 0 EJAARN COc1ccc([C@@]2(C)Nc3ccccc3-c3nc4ccccc4n32)cc1 ZINC000000543885 564022533 /nfs/dbraw/zinc/02/25/33/564022533.db2.gz MHMVGRAKYSZMOG-QFIPXVFZSA-N 0 0 341.414 4.858 50 0 EJAARN Cc1nc(CSc2nc(-c3ccccc3)nc3c2CCC3)cs1 ZINC000000543788 564022554 /nfs/dbraw/zinc/02/25/54/564022554.db2.gz SGYPVDUHOFVMBB-UHFFFAOYSA-N 0 0 339.489 4.690 50 0 EJAARN Cc1ccc(C(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccco2)cc1 ZINC000000547327 564022775 /nfs/dbraw/zinc/02/27/75/564022775.db2.gz DYIBOCRQIJQTTP-LJQANCHMSA-N 0 0 330.387 4.580 50 0 EJAARN O=C1N2CCCN2[C@H](c2ccc(Cl)cc2)N1c1cccc(Cl)c1 ZINC000000548442 564022881 /nfs/dbraw/zinc/02/28/81/564022881.db2.gz CQOBLKLDYYWEQP-INIZCTEOSA-N 0 0 348.233 4.555 50 0 EJAARN CC(=O)N(CC[C@H](c1ccco1)c1ccccc1)Cc1cccs1 ZINC000000551307 564022982 /nfs/dbraw/zinc/02/29/82/564022982.db2.gz QQOFIKYXBNAFHI-IBGZPJMESA-N 0 0 339.460 4.912 50 0 EJAARN COc1ccccc1Nc1nc(C)nc2sc3c(c21)CCCC3 ZINC000000553707 564023101 /nfs/dbraw/zinc/02/31/01/564023101.db2.gz LFFMOLRDDOXMKF-UHFFFAOYSA-N 0 0 325.437 4.631 50 0 EJAARN C[C@H]1CCc2nc(NC(=O)c3cc(Cl)cc(Cl)c3)sc2C1 ZINC000000567766 564023415 /nfs/dbraw/zinc/02/34/15/564023415.db2.gz RYUZUYVQFDRLAH-QMMMGPOBSA-N 0 0 341.263 4.827 50 0 EJAARN C[C@@H]1CCc2nc(NC(=O)c3cc(Cl)cc(Cl)c3)sc2C1 ZINC000000567767 564023430 /nfs/dbraw/zinc/02/34/30/564023430.db2.gz RYUZUYVQFDRLAH-MRVPVSSYSA-N 0 0 341.263 4.827 50 0 EJAARN Cc1ccc(C(=O)[C@@H](OC(=O)Cc2ccccc2)c2ccccc2)cc1 ZINC000000571988 564023798 /nfs/dbraw/zinc/02/37/98/564023798.db2.gz ZCYZNMAAPVTGGB-QHCPKHFHSA-N 0 0 344.410 4.705 50 0 EJAARN c1ccc(Cc2nc3sc4c(c3c(N3CCCC3)n2)CCCC4)cc1 ZINC000000572945 564023890 /nfs/dbraw/zinc/02/38/90/564023890.db2.gz SMUCTRZEORDWHY-UHFFFAOYSA-N 0 0 349.503 4.761 50 0 EJAARN COc1ccccc1C(=O)N(Cc1ccccc1)c1cccc(C)c1 ZINC000000577179 564024184 /nfs/dbraw/zinc/02/41/84/564024184.db2.gz XESKOCMSFJHAIS-UHFFFAOYSA-N 0 0 331.415 4.851 50 0 EJAARN Cc1ccc(C(=O)Nc2c(-c3ccccc3)nc3c(C)cccn32)cc1 ZINC000000577159 564024194 /nfs/dbraw/zinc/02/41/94/564024194.db2.gz UAYMZYSUUVDIOX-UHFFFAOYSA-N 0 0 341.414 4.870 50 0 EJAARN O=C(c1cn(CCOc2ccc(Cl)cc2)c2ccccc12)C1CC1 ZINC000000578890 564024334 /nfs/dbraw/zinc/02/43/34/564024334.db2.gz VOZKPDZOKULHBN-UHFFFAOYSA-N 0 0 339.822 4.966 50 0 EJAARN O=C(NC(c1ccccc1)c1ccccc1)c1cc2ccccc2[nH]1 ZINC000016636620 564024642 /nfs/dbraw/zinc/02/46/42/564024642.db2.gz KAEPUFCPPSBPSM-UHFFFAOYSA-N 0 0 326.399 4.687 50 0 EJAARN COc1ccc2nc(NC(=O)c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000016975695 564024742 /nfs/dbraw/zinc/02/47/42/564024742.db2.gz POYPJVRQQJAEAA-UHFFFAOYSA-N 0 0 340.448 4.855 50 0 EJAARN Cc1cccc(C(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)c1 ZINC000005740263 564024765 /nfs/dbraw/zinc/02/47/65/564024765.db2.gz HAHNQXBTTAOEKC-UHFFFAOYSA-N 0 0 345.398 4.604 50 0 EJAARN CC(=O)c1ccc(NC(=S)NC2CCC(C(C)(C)C)CC2)cc1 ZINC000006511345 564025366 /nfs/dbraw/zinc/02/53/66/564025366.db2.gz AZAIYCVAXSBULM-UHFFFAOYSA-N 0 0 332.513 4.781 50 0 EJAARN Cc1ccc(-c2noc(-c3cc(-c4ccc(Cl)cc4)[nH]n3)n2)cc1 ZINC000046913958 564025522 /nfs/dbraw/zinc/02/55/22/564025522.db2.gz PHADRMKSMHQNJO-UHFFFAOYSA-N 0 0 336.782 4.756 50 0 EJAARN Cc1cccc(-c2noc(-c3cc(-c4cc(C)ccc4C)[nH]n3)n2)c1 ZINC000046914267 564025563 /nfs/dbraw/zinc/02/55/63/564025563.db2.gz QYVLIFUGXNMRHJ-UHFFFAOYSA-N 0 0 330.391 4.719 50 0 EJAARN COC(=O)c1c(Nc2ccc(Cl)cc2)onc1-c1ccc(F)cc1 ZINC000046914431 564025577 /nfs/dbraw/zinc/02/55/77/564025577.db2.gz CMUBVBKWJQZIIK-UHFFFAOYSA-N 0 0 346.745 4.664 50 0 EJAARN COC(=O)c1c(NC2CCCCCCC2)onc1-c1cccc(F)c1 ZINC000046916072 564025582 /nfs/dbraw/zinc/02/55/82/564025582.db2.gz IEDPCWTWYUNNRA-UHFFFAOYSA-N 0 0 346.402 4.792 50 0 EJAARN Cc1noc(C)c1CN(Cc1c(C)noc1C)c1ccc(C)c(C)c1 ZINC000047551170 564026417 /nfs/dbraw/zinc/02/64/17/564026417.db2.gz OJPJMEYNJOTPDO-UHFFFAOYSA-N 0 0 339.439 4.720 50 0 EJAARN C[C@@H]1CCC[C@@H](NC(=O)CCCc2ncc(-c3ccccc3)o2)[C@H]1C ZINC000107088693 564026809 /nfs/dbraw/zinc/02/68/09/564026809.db2.gz LTWZWGOPYMTSPH-SOLBZPMBSA-N 0 0 340.467 4.605 50 0 EJAARN C[C@@H]1CCC[C@H](NC(=O)CCCc2ncc(-c3ccccc3)o2)[C@H]1C ZINC000107088696 564026815 /nfs/dbraw/zinc/02/68/15/564026815.db2.gz LTWZWGOPYMTSPH-RYRKJORJSA-N 0 0 340.467 4.605 50 0 EJAARN CCc1cccc(CC)c1NC(=O)c1csc(-c2ccoc2)n1 ZINC000108150542 564027876 /nfs/dbraw/zinc/02/78/76/564027876.db2.gz JYLARKDCIZJPRT-UHFFFAOYSA-N 0 0 326.421 4.780 50 0 EJAARN O=C(Nc1ccccc1F)c1ccc(-c2nc3ccccc3s2)o1 ZINC000045820124 564028718 /nfs/dbraw/zinc/02/87/18/564028718.db2.gz RVRPCQWJLFGJLW-UHFFFAOYSA-N 0 0 338.363 4.948 50 0 EJAARN CCOC(=O)c1nc2ccccc2nc1Nc1ccc(C)c(Cl)c1 ZINC000045900979 564028787 /nfs/dbraw/zinc/02/87/87/564028787.db2.gz VWWQRRMZPVTLGN-UHFFFAOYSA-N 0 0 341.798 4.512 50 0 EJAARN Cc1ccc(C)c(Nc2nc3ccccc3nc2C(=O)OC(C)C)c1 ZINC000045901429 564028824 /nfs/dbraw/zinc/02/88/24/564028824.db2.gz YRRDYDFYWUYLSE-UHFFFAOYSA-N 0 0 335.407 4.555 50 0 EJAARN CCCCOC(=O)c1nc2ccccc2nc1N[C@@H](C)c1ccccc1 ZINC000045901554 564028834 /nfs/dbraw/zinc/02/88/34/564028834.db2.gz HTKRVYLYOCSTAS-HNNXBMFYSA-N 0 0 349.434 4.760 50 0 EJAARN Cc1[nH]c2ccc(C(=O)N(C)Cc3ccc([C@H]4C[C@@H]4C)o3)cc2c1C ZINC000045927539 564028949 /nfs/dbraw/zinc/02/89/49/564028949.db2.gz RRYUPXSQGLEUQE-SJCJKPOMSA-N 0 0 336.435 4.773 50 0 EJAARN COc1ccc(C)cc1NC(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC000046018582 564029284 /nfs/dbraw/zinc/02/92/84/564029284.db2.gz JQKSKTKXFKRLMZ-QGZVFWFLSA-N 0 0 328.387 4.512 50 0 EJAARN CCCCC(=O)Nc1ccc(-c2nc(-c3ccccc3C)no2)cc1 ZINC000046018691 564029298 /nfs/dbraw/zinc/02/92/98/564029298.db2.gz VPZWQGURUDJHQY-UHFFFAOYSA-N 0 0 335.407 4.841 50 0 EJAARN COc1ccccc1-c1cccc(NC(=O)N[C@@H](C)c2cccnc2)c1 ZINC000111774714 564030036 /nfs/dbraw/zinc/03/00/36/564030036.db2.gz ILDOYXRTTSASOT-HNNXBMFYSA-N 0 0 347.418 4.640 50 0 EJAARN O=C(CCc1ccccc1Cl)Nc1cccc(-c2cnco2)c1 ZINC000048204923 564030072 /nfs/dbraw/zinc/03/00/72/564030072.db2.gz DQKHTOXSNHHRLI-UHFFFAOYSA-N 0 0 326.783 4.566 50 0 EJAARN CCOc1ccc(-c2noc(CNc3cccc4c3CCCC4)n2)cc1 ZINC000048234709 564030120 /nfs/dbraw/zinc/03/01/20/564030120.db2.gz KJHKBSVAFVCLIQ-UHFFFAOYSA-N 0 0 349.434 4.626 50 0 EJAARN Fc1cccc(-c2nc(CN3CCC[C@H]3c3cccc(F)c3)co2)c1 ZINC000048262063 564030331 /nfs/dbraw/zinc/03/03/31/564030331.db2.gz YSUPOJSVXCDGJC-IBGZPJMESA-N 0 0 340.373 4.957 50 0 EJAARN Fc1ccc(CN(Cc2ncc(-c3ccccc3)o2)C2CC2)c(F)c1 ZINC000048273268 564030394 /nfs/dbraw/zinc/03/03/94/564030394.db2.gz UKXYAWVQCDGILG-UHFFFAOYSA-N 0 0 340.373 4.784 50 0 EJAARN Cc1cc([C@@H]2CCCN2Cc2coc(-c3cccc(Cl)c3)n2)on1 ZINC000048264562 564030406 /nfs/dbraw/zinc/03/04/06/564030406.db2.gz YAKJHVAORAYFMD-INIZCTEOSA-N 0 0 343.814 4.629 50 0 EJAARN COc1cc(-c2cc(OC)c(C)c(C)c2OC)c(OC)c(C)c1C ZINC000019899278 564030746 /nfs/dbraw/zinc/03/07/46/564030746.db2.gz AXMBBENCTMKXLG-UHFFFAOYSA-N 0 0 330.424 4.622 50 0 EJAARN CC(C)c1ccc2c(c1)CCCN2C(=O)c1ccc(C(F)(F)F)nc1 ZINC000048303808 564030735 /nfs/dbraw/zinc/03/07/35/564030735.db2.gz DQBUPRMRZJTJAT-UHFFFAOYSA-N 0 0 348.368 4.817 50 0 EJAARN CC(C)c1noc([C@@H](C)N2Cc3ccccc3[C@H](c3ccccc3)C2)n1 ZINC000048326549 564031177 /nfs/dbraw/zinc/03/11/77/564031177.db2.gz NRRWEHNEJWEKSD-UZLBHIALSA-N 0 0 347.462 4.902 50 0 EJAARN Cc1ccccc1NCc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000048355524 564031456 /nfs/dbraw/zinc/03/14/56/564031456.db2.gz PFINRBBNGDLMBY-UHFFFAOYSA-N 0 0 333.313 4.676 50 0 EJAARN S=C(Nc1ccc2c[nH]nc2c1)Nc1ccc(Cl)cc1Cl ZINC000005657830 564032893 /nfs/dbraw/zinc/03/28/93/564032893.db2.gz DRORPJHUSREEOR-UHFFFAOYSA-N 0 0 337.235 4.679 50 0 EJAARN Cc1ccc(C)c2sc(NC(=O)c3cc(Cl)ccc3F)nc21 ZINC000021599219 564033975 /nfs/dbraw/zinc/03/39/75/564033975.db2.gz BLKFKKBPPQSLIE-UHFFFAOYSA-N 0 0 334.803 4.958 50 0 EJAARN O=C(CCNc1ccc(F)c(F)c1F)c1ccc2ccccc2c1 ZINC000000732263 564034025 /nfs/dbraw/zinc/03/40/25/564034025.db2.gz GHAYEFNMOQQNKI-UHFFFAOYSA-N 0 0 329.321 4.942 50 0 EJAARN Clc1ccccc1COc1nc(-c2ccncc2)nc2ccccc21 ZINC000005771934 564034479 /nfs/dbraw/zinc/03/44/79/564034479.db2.gz YMXNWPLWZGDYLN-UHFFFAOYSA-N 0 0 347.805 4.924 50 0 EJAARN CC[C@H](Oc1ccccc1F)C(=O)Nc1cccc(Cl)c1Cl ZINC000008040906 564034645 /nfs/dbraw/zinc/03/46/45/564034645.db2.gz BITWDLPPPHNJHR-ZDUSSCGKSA-N 0 0 342.197 4.929 50 0 EJAARN CCCOC(=O)Nc1cc(-c2ccccc2)nn1-c1cccc(F)c1 ZINC000085899430 564035413 /nfs/dbraw/zinc/03/54/13/564035413.db2.gz CMYDMAYHZVOTPK-UHFFFAOYSA-N 0 0 339.370 4.637 50 0 EJAARN CCCCC(=O)Nc1cc(-c2ccccc2)nn1-c1cccc(F)c1 ZINC000085899407 564035421 /nfs/dbraw/zinc/03/54/21/564035421.db2.gz DKPJVHYFNRXEAR-UHFFFAOYSA-N 0 0 337.398 4.807 50 0 EJAARN COc1cc(Cl)c(C)cc1N[C@@H](C)c1nnc(-c2cccs2)o1 ZINC000032739717 564036146 /nfs/dbraw/zinc/03/61/46/564036146.db2.gz MRRCSUJANVYVCB-JTQLQIEISA-N 0 0 349.843 4.942 50 0 EJAARN Cc1nc(/C=C/C(=O)Nc2ccc(Nc3ccccc3)cc2)cs1 ZINC000032754786 564036166 /nfs/dbraw/zinc/03/61/66/564036166.db2.gz ZEXIVSTXWBGSDW-VAWYXSNFSA-N 0 0 335.432 4.847 50 0 EJAARN COc1cc2c(cc1NC(=O)/C=C\c1ccco1)oc1ccccc12 ZINC000033472605 564036789 /nfs/dbraw/zinc/03/67/89/564036789.db2.gz YWVOGKVVXQARSK-HJWRWDBZSA-N 0 0 333.343 4.840 50 0 EJAARN CNc1nnc(SCc2sc3ccccc3c2Cl)s1 ZINC000025051869 564036828 /nfs/dbraw/zinc/03/68/28/564036828.db2.gz IKBZFIMTUUVKMD-UHFFFAOYSA-N 0 0 327.887 4.740 50 0 EJAARN c1ccc(CN(Cc2nc3ccccc3[nH]2)Cc2ccccc2)cc1 ZINC000025501776 564037877 /nfs/dbraw/zinc/03/78/77/564037877.db2.gz HFBLGAXNAOFDLM-UHFFFAOYSA-N 0 0 327.431 4.765 50 0 EJAARN CC(C)c1nc(CN(C)C(=O)c2cc3cc(Cl)ccc3[nH]2)cs1 ZINC000223706138 564040649 /nfs/dbraw/zinc/04/06/49/564040649.db2.gz JSDOFYJZKSVYTJ-UHFFFAOYSA-N 0 0 347.871 4.673 50 0 EJAARN O=C(Oc1c(=O)c2ccccc2oc1-c1ccccc1)c1cccs1 ZINC000000150946 564042477 /nfs/dbraw/zinc/04/24/77/564042477.db2.gz MMNUFNBTUPTYMR-UHFFFAOYSA-N 0 0 348.379 4.741 50 0 EJAARN CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H](c2nccs2)c2ccccc2)C1(C)C ZINC000225410226 564046513 /nfs/dbraw/zinc/04/65/13/564046513.db2.gz OCCKDBGGTURBEV-BRWVUGGUSA-N 0 0 340.492 4.587 50 0 EJAARN Cc1cccc(CN[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)c1C ZINC000225458377 564046944 /nfs/dbraw/zinc/04/69/44/564046944.db2.gz JCGWRICHKTVWGI-AWEZNQCLSA-N 0 0 341.842 4.858 50 0 EJAARN COC(=O)c1ccccc1Nc1ccnc2c1cccc2C(F)(F)F ZINC000041055021 564049983 /nfs/dbraw/zinc/04/99/83/564049983.db2.gz NBCYWASVDNEYMJ-UHFFFAOYSA-N 0 0 346.308 4.784 50 0 EJAARN Nc1nc(SCc2ccccc2C(F)(F)F)nc2sccc21 ZINC000058357835 564050384 /nfs/dbraw/zinc/05/03/84/564050384.db2.gz WNCSFPWGNZBTFP-UHFFFAOYSA-N 0 0 341.383 4.585 50 0 EJAARN Cc1c2cc(Cl)ccc2oc1C(=O)N1C[C@H](C)Oc2ccccc21 ZINC000041155836 564050419 /nfs/dbraw/zinc/05/04/19/564050419.db2.gz RMCPRQQCSIPLJZ-NSHDSACASA-N 0 0 341.794 4.822 50 0 EJAARN COc1ccc2oc(C)c(C(=O)Nc3cc(Cl)ccc3C)c2c1 ZINC000041156424 564050459 /nfs/dbraw/zinc/05/04/59/564050459.db2.gz IXOIMMZNKNPSND-UHFFFAOYSA-N 0 0 329.783 4.964 50 0 EJAARN Cc1cc(C)n(-c2ccccc2NC(=O)c2oc3ccccc3c2C)n1 ZINC000025013864 564051063 /nfs/dbraw/zinc/05/10/63/564051063.db2.gz AWANSMISTOYHPM-UHFFFAOYSA-N 0 0 345.402 4.796 50 0 EJAARN CCc1c[nH]c(S[C@@H](c2ccc(Cl)cc2)C2CCOCC2)n1 ZINC000241383341 564051974 /nfs/dbraw/zinc/05/19/74/564051974.db2.gz MUMKKXSQOHGMDG-INIZCTEOSA-N 0 0 336.888 4.886 50 0 EJAARN Cc1noc(C)c1C(=O)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000018890958 564052691 /nfs/dbraw/zinc/05/26/91/564052691.db2.gz HMTFMERPPZRXHF-UHFFFAOYSA-N 0 0 349.415 4.820 50 0 EJAARN O=C1NC(=O)C(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)S1 ZINC000000975830 564053807 /nfs/dbraw/zinc/05/38/07/564053807.db2.gz LQGIBYQHUCRPIP-WUXMJOGZSA-N 0 0 340.187 4.577 50 0 EJAARN O=C(Nc1nc2ccc(Cl)cc2s1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000000999390 564053903 /nfs/dbraw/zinc/05/39/03/564053903.db2.gz OXNAXRHJNUMJHJ-CHWSQXEVSA-N 0 0 328.824 4.692 50 0 EJAARN CC(C)Oc1ccc(-c2cc(C(=O)NC3CC3)c3ccccc3n2)cc1 ZINC000001002431 564054029 /nfs/dbraw/zinc/05/40/29/564054029.db2.gz HPLJEESGDDWGQM-UHFFFAOYSA-N 0 0 346.430 4.581 50 0 EJAARN Cc1cc(C)n(-c2ncnc3scc(-c4ccc(Cl)cc4)c32)n1 ZINC000001004576 564054030 /nfs/dbraw/zinc/05/40/30/564054030.db2.gz DVCMEGSBMJAXTJ-UHFFFAOYSA-N 0 0 340.839 4.814 50 0 EJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CC(C)C ZINC000001021498 564054164 /nfs/dbraw/zinc/05/41/64/564054164.db2.gz JLXOBADQAUOPJY-UHFFFAOYSA-N 0 0 331.437 4.576 50 0 EJAARN CSc1cccc(NC(=O)CCC(=O)c2cc(C)sc2C)c1 ZINC000025419039 564054330 /nfs/dbraw/zinc/05/43/30/564054330.db2.gz MWXZYTYWJGBQME-UHFFFAOYSA-N 0 0 333.478 4.688 50 0 EJAARN CCC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@@H]3CC[C@H]2C1 ZINC000257346141 564055892 /nfs/dbraw/zinc/05/58/92/564055892.db2.gz SAOVUTZAPBDLOX-PTBBDUGRSA-N 0 0 346.511 4.920 50 0 EJAARN CO[C@@H]1C[C@@H]2[C@@H]3CC[C@H](C(C)=O)[C@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H]3C[C@]312 ZINC000257357682 564055987 /nfs/dbraw/zinc/05/59/87/564055987.db2.gz PJHBKOQWGPXVAP-BEOIFPMASA-N 0 0 330.512 4.859 50 0 EJAARN C[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C(C)(C)C(=O)CC[C@@]4(C)[C@H]3CC[C@@]21C ZINC000257358832 564056004 /nfs/dbraw/zinc/05/60/04/564056004.db2.gz WSGNVOUHNLZNHQ-FUAZQTBISA-N 0 0 330.512 4.905 50 0 EJAARN CC(C)(C)OC(=O)n1c(Br)cc2c1cccc2Cl ZINC000261493431 564056173 /nfs/dbraw/zinc/05/61/73/564056173.db2.gz AYHWCENIAAUECW-UHFFFAOYSA-N 0 0 330.609 4.840 50 0 EJAARN C[C@H]1CCN(C(=O)COc2ccccc2Cl)c2ccccc2S1 ZINC000005861615 564056682 /nfs/dbraw/zinc/05/66/82/564056682.db2.gz ZRBAYOHUFWLYDQ-ZDUSSCGKSA-N 0 0 347.867 4.636 50 0 EJAARN Fc1cc(CNc2nc3ccccc3o2)ccc1Oc1cccnc1 ZINC000063254859 564056847 /nfs/dbraw/zinc/05/68/47/564056847.db2.gz VDYMHDXNLPWWQN-UHFFFAOYSA-N 0 0 335.338 4.766 50 0 EJAARN CC(C)CCOc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000005938453 564057106 /nfs/dbraw/zinc/05/71/06/564057106.db2.gz MLHCXNDSKBSTDW-OAQYLSRUSA-N 0 0 337.463 4.919 50 0 EJAARN Cc1nc(C)c(C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)s1 ZINC000007995444 564057604 /nfs/dbraw/zinc/05/76/04/564057604.db2.gz LPRPFAYMQZOAIN-UHFFFAOYSA-N 0 0 343.477 4.753 50 0 EJAARN Cc1cccc(C)c1NC(=O)COc1ccccc1-c1ccccc1 ZINC000006035140 564057717 /nfs/dbraw/zinc/05/77/17/564057717.db2.gz KRRZHVDBMLUATE-UHFFFAOYSA-N 0 0 331.415 4.988 50 0 EJAARN c1ccc(Cc2noc(CSc3nc4ccccc4s3)n2)cc1 ZINC000031647258 564057858 /nfs/dbraw/zinc/05/78/58/564057858.db2.gz KVGMUKNYUQVORN-UHFFFAOYSA-N 0 0 339.445 4.562 50 0 EJAARN Cc1cc(SCc2nc(Cc3ccccc3)no2)nc2ccccc12 ZINC000031649024 564057889 /nfs/dbraw/zinc/05/78/89/564057889.db2.gz YEVLTCJRWFUVOK-UHFFFAOYSA-N 0 0 347.443 4.809 50 0 EJAARN C[C@H](Sc1nnc(-c2c[nH]c3ccccc32)o1)C(=O)c1ccccc1 ZINC000031685531 564057966 /nfs/dbraw/zinc/05/79/66/564057966.db2.gz HJAODULBWNYUTG-LBPRGKRZSA-N 0 0 349.415 4.581 50 0 EJAARN O=C(O[C@H](c1ccccc1)c1ccccn1)c1cc2ccccc2o1 ZINC000012522415 564058153 /nfs/dbraw/zinc/05/81/53/564058153.db2.gz MQOFWYBHCKSDFK-HXUWFJFHSA-N 0 0 329.355 4.774 50 0 EJAARN CCc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccco3)NC(=O)CCN21 ZINC000002108425 564058315 /nfs/dbraw/zinc/05/83/15/564058315.db2.gz RFPWXMVPWYZVBN-ZUURVNMSSA-N 0 0 336.435 4.710 50 0 biogenic EJAARN c1nc2n(n1)[C@@H](c1cccc3ccccc31)C[C@H](c1ccccc1)N2 ZINC000003215841 564058491 /nfs/dbraw/zinc/05/84/91/564058491.db2.gz IWWVHBLLICZEHD-WOJBJXKFSA-N 0 0 326.403 4.578 50 0 EJAARN COc1ccc(C)cc1NC(=O)[C@@H](C)Nc1ccc(C(C)C)cc1 ZINC000012543770 564058803 /nfs/dbraw/zinc/05/88/03/564058803.db2.gz YCHAYCDGQZKWGY-OAHLLOKOSA-N 0 0 326.440 4.566 50 0 EJAARN Cc1cccc(NCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000012545386 564058834 /nfs/dbraw/zinc/05/88/34/564058834.db2.gz PFSYSADMVHGTSI-UHFFFAOYSA-N 0 0 332.403 4.838 50 0 EJAARN CN(C)[C@@H](Cc1ccccc1)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000003282715 564058988 /nfs/dbraw/zinc/05/89/88/564058988.db2.gz PGBOSHGQRMJEAQ-QFIPXVFZSA-N 0 0 329.443 4.709 50 0 EJAARN COc1ccc(C(=O)Nc2ccccc2Cc2ccccc2)c(OC)c1 ZINC000003281778 564059004 /nfs/dbraw/zinc/05/90/04/564059004.db2.gz XQLYJPZIAYGMSO-UHFFFAOYSA-N 0 0 347.414 4.547 50 0 EJAARN CCc1ccc(C(=O)COC(=O)c2cccc(Cl)c2Cl)cc1 ZINC000003343500 564059345 /nfs/dbraw/zinc/05/93/45/564059345.db2.gz RZUFDQBMXTXTPM-UHFFFAOYSA-N 0 0 337.202 4.596 50 0 EJAARN CSc1ncccc1C(=O)Oc1ccc2oc3ccccc3c2c1 ZINC000003362671 564059478 /nfs/dbraw/zinc/05/94/78/564059478.db2.gz LNKGMRCHCBCTAG-UHFFFAOYSA-N 0 0 335.384 4.922 50 0 EJAARN COc1ccc(CSc2nc(-c3ccc(F)cc3)c[nH]2)cc1F ZINC000012560009 564059511 /nfs/dbraw/zinc/05/95/11/564059511.db2.gz ZDNSBNMXQHEHTM-UHFFFAOYSA-N 0 0 332.375 4.656 50 0 EJAARN Cc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(F)cc3)cs2)o1 ZINC000003483505 564059831 /nfs/dbraw/zinc/05/98/31/564059831.db2.gz XOWINKCFJRLUGW-CMDGGOBGSA-N 0 0 328.368 4.503 50 0 EJAARN O=C(NCCc1c[nH]c2ccccc12)c1sccc1-c1ccccc1 ZINC000012568892 564059836 /nfs/dbraw/zinc/05/98/36/564059836.db2.gz OIVZJAXTLSKRKC-UHFFFAOYSA-N 0 0 346.455 4.869 50 0 EJAARN Cc1cc(NC(=O)[C@@H](SCc2ccccc2)c2ccccc2)no1 ZINC000012580649 564060010 /nfs/dbraw/zinc/06/00/10/564060010.db2.gz IMGZCUKTZBXODY-SFHVURJKSA-N 0 0 338.432 4.596 50 0 EJAARN O=C(c1ccc(Cl)c(Cl)c1)N(Cc1ccsc1)C1CC1 ZINC000044446596 564060124 /nfs/dbraw/zinc/06/01/24/564060124.db2.gz GRNQQTZUNULOAO-UHFFFAOYSA-N 0 0 326.248 4.860 50 0 EJAARN CN(Cc1c(F)cccc1Cl)c1ncnc2sc3c(c21)CCC3 ZINC000012586138 564060162 /nfs/dbraw/zinc/06/01/62/564060162.db2.gz CCQXTWLWASAUQC-UHFFFAOYSA-N 0 0 347.846 4.609 50 0 EJAARN O=C(Nc1ccncc1)c1ccccc1SCc1ccsc1 ZINC000012594023 564060269 /nfs/dbraw/zinc/06/02/69/564060269.db2.gz PVLKAQQYKRTULN-UHFFFAOYSA-N 0 0 326.446 4.688 50 0 EJAARN CC(C)(C)c1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 ZINC000012601720 564060449 /nfs/dbraw/zinc/06/04/49/564060449.db2.gz YUXISAQWDRFNMG-IBGZPJMESA-N 0 0 347.462 4.838 50 0 EJAARN Cc1cc2cc(NC(=O)N(C)[C@@H](C)Cc3cc(C)ccn3)ccc2o1 ZINC000299763940 564060761 /nfs/dbraw/zinc/06/07/61/564060761.db2.gz ZGMGKAHOBJDUIM-AWEZNQCLSA-N 0 0 337.423 4.540 50 0 EJAARN Cc1nc(-c2ccc(F)cc2)c(CC(=O)Nc2ccc(F)cc2)s1 ZINC000015318688 564060849 /nfs/dbraw/zinc/06/08/49/564060849.db2.gz AOSXYJVPQJYXFI-UHFFFAOYSA-N 0 0 344.386 4.578 50 0 EJAARN CCCCSc1nc(C)cc(C)c1S(=O)(=O)c1ccccc1C ZINC000004050109 564061669 /nfs/dbraw/zinc/06/16/69/564061669.db2.gz WGAACEJHYNKCIN-UHFFFAOYSA-N 0 0 349.521 4.732 50 0 EJAARN O=C(Cc1cccc2ccccc21)Nc1nnc(-c2ccccc2)s1 ZINC000004072269 564061783 /nfs/dbraw/zinc/06/17/83/564061783.db2.gz UMDUWULPSDRCTK-UHFFFAOYSA-N 0 0 345.427 4.540 50 0 EJAARN O=C(C[C@H](c1ccsc1)n1cccc1)Nc1cccc2[nH]ccc21 ZINC000263588591 564061940 /nfs/dbraw/zinc/06/19/40/564061940.db2.gz WBBVCDHFTCPJNX-GOSISDBHSA-N 0 0 335.432 4.649 50 0 EJAARN O=C(Nc1nc2c(s1)CCCCCCCCCC2)C(F)(F)F ZINC000001235455 564062112 /nfs/dbraw/zinc/06/21/12/564062112.db2.gz RWRVWYBUAZYCTE-UHFFFAOYSA-N 0 0 334.407 4.863 50 0 EJAARN Cc1cc(NC(=O)c2cccc3ccccc32)ccc1N1CCCC1=O ZINC000005440053 564062444 /nfs/dbraw/zinc/06/24/44/564062444.db2.gz SPPMISJMSBZYIE-UHFFFAOYSA-N 0 0 344.414 4.527 50 0 EJAARN O=C(Nc1cccc(N2CCCCC2=O)c1)c1cccc2ccccc21 ZINC000005441673 564062469 /nfs/dbraw/zinc/06/24/69/564062469.db2.gz YETDHHKSGOFQNP-UHFFFAOYSA-N 0 0 344.414 4.609 50 0 EJAARN COc1cccc(-c2nc(-c3ccc4c(c3)CCC4)cs2)c1OC ZINC000025667155 564062559 /nfs/dbraw/zinc/06/25/59/564062559.db2.gz PMFQXLYNVVYSED-UHFFFAOYSA-N 0 0 337.444 4.983 50 0 EJAARN Cc1nn(C)c2sc(C(=O)Nc3cc(Cl)ccc3Cl)cc12 ZINC000012687325 564062626 /nfs/dbraw/zinc/06/26/26/564062626.db2.gz KCFNCXPOZMESGL-UHFFFAOYSA-N 0 0 340.235 4.502 50 0 EJAARN Cc1ccc([C@@H](NC(=O)c2ccc(F)c(F)c2)c2ccccc2)cc1 ZINC000012686213 564062657 /nfs/dbraw/zinc/06/26/57/564062657.db2.gz RDMTYJVNKFGZGG-FQEVSTJZSA-N 0 0 337.369 4.793 50 0 EJAARN Cc1ccc2nc3c(cc2c1)c(NC(=O)C(C)(C)C)nn3CC(C)C ZINC000001269185 564062827 /nfs/dbraw/zinc/06/28/27/564062827.db2.gz HHOGCIWSLGHTNM-UHFFFAOYSA-N 0 0 338.455 4.534 50 0 EJAARN O=C(Nc1ccc(-c2nccs2)cc1)N1CCC[C@@H]1c1ccco1 ZINC000116478665 564062995 /nfs/dbraw/zinc/06/29/95/564062995.db2.gz GMBPWZDNJAQSSP-OAHLLOKOSA-N 0 0 339.420 4.772 50 0 EJAARN O=C(CCn1c(-c2ccccc2)cc2ccccc21)NCc1ccco1 ZINC000032103525 564063241 /nfs/dbraw/zinc/06/32/41/564063241.db2.gz PBCXIVWFVOMFIH-UHFFFAOYSA-N 0 0 344.414 4.608 50 0 EJAARN Cc1ccc(Sc2ccc(NC(=O)C3=CCOCC3)cc2)c(C)c1 ZINC000184458323 564063327 /nfs/dbraw/zinc/06/33/27/564063327.db2.gz PTZINNQYJXJXLM-UHFFFAOYSA-N 0 0 339.460 4.740 50 0 EJAARN Cc1ccc(COc2cc(CSc3ccccc3)nc(C)n2)cc1 ZINC000001388885 564064350 /nfs/dbraw/zinc/06/43/50/564064350.db2.gz DDFFZNFBLSSQNV-UHFFFAOYSA-N 0 0 336.460 4.965 50 0 EJAARN O=C(CSc1ccc(F)cc1)Nc1nc(-c2ccccc2)cs1 ZINC000001392122 564064512 /nfs/dbraw/zinc/06/45/12/564064512.db2.gz VGXTWXIEHPQIDI-UHFFFAOYSA-N 0 0 344.436 4.680 50 0 EJAARN O=C(Nc1ccc(Cl)cc1)C(F)(F)Oc1ccc(Cl)cc1 ZINC000001393140 564064594 /nfs/dbraw/zinc/06/45/94/564064594.db2.gz QULFXNFPOMHERA-UHFFFAOYSA-N 0 0 332.133 4.604 50 0 EJAARN CC(=O)Nc1ccc(NC(=O)c2ccc(CC(C)C)cc2)cc1Cl ZINC000012736935 564064698 /nfs/dbraw/zinc/06/46/98/564064698.db2.gz JDMOUSSXIMFVFX-UHFFFAOYSA-N 0 0 344.842 4.749 50 0 EJAARN FC(F)(F)c1cnc(Oc2ccc(-c3cc[nH]n3)cc2)c(Cl)c1 ZINC000001400038 564064852 /nfs/dbraw/zinc/06/48/52/564064852.db2.gz ZZOPHXDAKWJXJC-UHFFFAOYSA-N 0 0 339.704 4.936 50 0 EJAARN Cc1ccc(NC(=O)c2ccc(OC(=O)c3cccs3)cc2)cc1 ZINC000000132038 564065381 /nfs/dbraw/zinc/06/53/81/564065381.db2.gz LCJXFEDUYVAIPH-UHFFFAOYSA-N 0 0 337.400 4.528 50 0 EJAARN Cc1ccc(NC(=O)c2ccc(OC(=O)C3CCCCC3)cc2)cc1 ZINC000000132040 564065386 /nfs/dbraw/zinc/06/53/86/564065386.db2.gz UMSFOKOIZYARBI-UHFFFAOYSA-N 0 0 337.419 4.733 50 0 EJAARN CCN(C(=O)c1csc(-c2ccc(C)cc2)n1)c1ccc(F)cc1 ZINC000012745177 564065609 /nfs/dbraw/zinc/06/56/09/564065609.db2.gz ZEWACVYETIMRCJ-UHFFFAOYSA-N 0 0 340.423 4.924 50 0 EJAARN C[C@@H](SC/C=C/c1ccccc1)C(=O)Nc1ccc(F)cc1F ZINC000015493864 564066459 /nfs/dbraw/zinc/06/64/59/564066459.db2.gz QCVRLDGZJNYWHS-OQHXTRMZSA-N 0 0 333.403 4.738 50 0 EJAARN Clc1ccc(OCc2nc(-c3cccs3)no2)cc1Cl ZINC000001421824 564066696 /nfs/dbraw/zinc/06/66/96/564066696.db2.gz RQWHUWTUEQERTL-UHFFFAOYSA-N 0 0 327.192 4.684 50 0 EJAARN Cc1ccc(NC(=O)c2sc3nc(C)c(C)c(C)c3c2N)cc1C ZINC000001428485 564066879 /nfs/dbraw/zinc/06/68/79/564066879.db2.gz HOJFJMQDHQTLIN-UHFFFAOYSA-N 0 0 339.464 4.673 50 0 EJAARN CCOc1ccccc1-c1nc(-c2cc(C)nc3ccccc32)no1 ZINC000001429933 564066892 /nfs/dbraw/zinc/06/68/92/564066892.db2.gz OQJALNGZPUOHQU-UHFFFAOYSA-N 0 0 331.375 4.659 50 0 EJAARN CC(C)(C)C[C@@H]1CCCN1C(=O)Nc1cccnc1N1CCCCC1 ZINC000084169745 564067153 /nfs/dbraw/zinc/06/71/53/564067153.db2.gz LMIPQECBHPXSQK-INIZCTEOSA-N 0 0 344.503 4.504 50 0 EJAARN O=C(Nc1ccc(Cl)cc1)c1cccc(OCc2cscn2)c1 ZINC000012755835 564067209 /nfs/dbraw/zinc/06/72/09/564067209.db2.gz VUTIIFVUSVGPGO-UHFFFAOYSA-N 0 0 344.823 4.628 50 0 EJAARN CCOCc1ccccc1NC(=O)c1ccc(F)cc1C(F)(F)F ZINC000151447941 564067435 /nfs/dbraw/zinc/06/74/35/564067435.db2.gz GJSKZYMWCDTSLC-UHFFFAOYSA-N 0 0 341.304 4.633 50 0 EJAARN COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000015539358 564067916 /nfs/dbraw/zinc/06/79/16/564067916.db2.gz VGUCCPHVLHEVOR-HBYKMFCXSA-N 0 0 341.838 4.726 50 0 EJAARN Cc1ccc(-c2cnc(CCC(=O)Nc3cccc(F)c3)o2)cc1C ZINC000012765232 564067954 /nfs/dbraw/zinc/06/79/54/564067954.db2.gz HFDFFYHFOGPZPY-UHFFFAOYSA-N 0 0 338.382 4.669 50 0 EJAARN CCOc1ccc(OCC)c(NC(=O)C[C@@H](C)c2ccccc2)c1 ZINC000012767508 564068259 /nfs/dbraw/zinc/06/82/59/564068259.db2.gz TZDHDJWTJLGMEP-OAHLLOKOSA-N 0 0 327.424 4.616 50 0 EJAARN O=C(Nc1ccc(F)cc1F)N1C[C@H]2CCCC[C@]21c1ccccc1 ZINC000084525237 564068441 /nfs/dbraw/zinc/06/84/41/564068441.db2.gz LYCVMSUSPKJXLG-QRWLVFNGSA-N 0 0 342.389 4.898 50 0 EJAARN Cc1noc2nc(C3CC3)cc(C(=O)Nc3c(C)cc(C)cc3C)c12 ZINC000012769772 564068605 /nfs/dbraw/zinc/06/86/05/564068605.db2.gz URYYYYXRXLSVBZ-UHFFFAOYSA-N 0 0 335.407 4.586 50 0 EJAARN O=C(NC(c1ccccc1)c1ccccc1)c1cc(Cl)ccc1F ZINC000015583064 564068790 /nfs/dbraw/zinc/06/87/90/564068790.db2.gz AKPWZMXYRKFDDD-UHFFFAOYSA-N 0 0 339.797 4.999 50 0 EJAARN O=C(CCCc1nc2ccccc2s1)NCCC1=CCCCC1 ZINC000012778000 564069681 /nfs/dbraw/zinc/06/96/81/564069681.db2.gz DFSBAUSVBONVQZ-UHFFFAOYSA-N 0 0 328.481 4.626 50 0 EJAARN O=C(c1ccc(Cl)cc1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000015646794 564069906 /nfs/dbraw/zinc/06/99/06/564069906.db2.gz ONIJYMKHEDVDQG-OAHLLOKOSA-N 0 0 342.851 4.927 50 0 EJAARN O=C(c1ccc(Cl)cc1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000015646796 564069924 /nfs/dbraw/zinc/06/99/24/564069924.db2.gz ONIJYMKHEDVDQG-HNNXBMFYSA-N 0 0 342.851 4.927 50 0 EJAARN CCSc1cc(C(=O)Nc2ccc(-c3ccccc3)cn2)ccn1 ZINC000084812105 564070390 /nfs/dbraw/zinc/07/03/90/564070390.db2.gz KTYXJUJQAZEZJP-UHFFFAOYSA-N 0 0 335.432 4.508 50 0 EJAARN Cc1ccc(C)c(Cn2cc(CCC(=O)NC3CC3)c3ccccc32)c1 ZINC000015678447 564070672 /nfs/dbraw/zinc/07/06/72/564070672.db2.gz CXABODMACNXXJQ-UHFFFAOYSA-N 0 0 346.474 4.518 50 0 EJAARN CCO[C@@H](C)c1nc(CNc2cccc(Cl)c2OC)cs1 ZINC000086203274 564075321 /nfs/dbraw/zinc/07/53/21/564075321.db2.gz ZEKZZAQIYPMLBB-JTQLQIEISA-N 0 0 326.849 4.515 50 0 EJAARN Oc1ccccc1-n1c(-c2ccccc2)cn2c3ccccc3nc21 ZINC000006040607 564072340 /nfs/dbraw/zinc/07/23/40/564072340.db2.gz FJXSTTGZDXKFFJ-UHFFFAOYSA-N 0 0 325.371 4.651 50 0 EJAARN O=C(NCc1ccccc1)c1ccc(N2CCCc3ccccc32)s1 ZINC000015732237 564072696 /nfs/dbraw/zinc/07/26/96/564072696.db2.gz IBESTPDHYQPYRW-UHFFFAOYSA-N 0 0 348.471 4.762 50 0 EJAARN c1ccc(COc2ccccc2-c2nnc(-c3ccccc3)o2)cc1 ZINC000015733453 564072751 /nfs/dbraw/zinc/07/27/51/564072751.db2.gz NMZCZQQTARAFPV-UHFFFAOYSA-N 0 0 328.371 4.983 50 0 EJAARN COc1ccc2c(c1)C(c1ccccc1)=NN=C(c1ccc(C)cc1)N2 ZINC000006076805 564073539 /nfs/dbraw/zinc/07/35/39/564073539.db2.gz BUIXPOLWRTVYMD-UHFFFAOYSA-N 0 0 341.414 4.628 50 0 EJAARN O=C(COc1ccc(Oc2ccccc2)cc1)Nc1ccc(F)cc1 ZINC000001473170 564073720 /nfs/dbraw/zinc/07/37/20/564073720.db2.gz GVEUMZOAYHEODZ-UHFFFAOYSA-N 0 0 337.350 4.636 50 0 EJAARN O=C(CC12CC3CC(CC(C3)C1)C2)N[C@H]1CCSc2ccccc21 ZINC000006085406 564073737 /nfs/dbraw/zinc/07/37/37/564073737.db2.gz FGMCRFOBIIBXNG-CARYKQCGSA-N 0 0 341.520 4.946 50 0 EJAARN Cc1oc(-c2ccccc2C)nc1CNC(=O)Nc1cc(C)cc(C)c1 ZINC000015774660 564073813 /nfs/dbraw/zinc/07/38/13/564073813.db2.gz ITWWSGYECXTHTO-UHFFFAOYSA-N 0 0 349.434 4.897 50 0 EJAARN Clc1ccc(C2=Nc3ccccc3C(c3ccccc3)=NN2)cc1 ZINC000006111521 564074288 /nfs/dbraw/zinc/07/42/88/564074288.db2.gz FOYYCECXIMPNFU-UHFFFAOYSA-N 0 0 331.806 4.774 50 0 EJAARN Cc1ccc(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1 ZINC000000134216 564074934 /nfs/dbraw/zinc/07/49/34/564074934.db2.gz QUKUFDCQWUMGLI-UHFFFAOYSA-N 0 0 342.851 4.948 50 0 EJAARN CCn1c(=O)c2c(C)c(C)sc2nc1SCc1ccccc1F ZINC000000529503 564074966 /nfs/dbraw/zinc/07/49/66/564074966.db2.gz AAVGUZZUJOHLGC-UHFFFAOYSA-N 0 0 348.468 4.526 50 0 EJAARN COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccc(Cl)cc21 ZINC000006126406 564075212 /nfs/dbraw/zinc/07/52/12/564075212.db2.gz SJNQYKBMQWRUHN-UHFFFAOYSA-N 0 0 332.186 4.995 50 0 EJAARN COc1cc(OC)cc(C(=O)Nc2ccc(-c3ccccc3)cc2)c1 ZINC000001514105 564075219 /nfs/dbraw/zinc/07/52/19/564075219.db2.gz SFWWMCVMAKOXEP-UHFFFAOYSA-N 0 0 333.387 4.623 50 0 EJAARN C[C@H](NC(=O)[C@@H]1Cc2ccccc2O1)c1ccc(-c2ccccc2)cc1 ZINC000012848027 564075253 /nfs/dbraw/zinc/07/52/53/564075253.db2.gz JXZGSIXBZBIRSQ-AOMKIAJQSA-N 0 0 343.426 4.535 50 0 EJAARN Cc1cccc(C)c1Oc1ccccc1NCc1nnc(C2CC2)o1 ZINC000086203149 564075314 /nfs/dbraw/zinc/07/53/14/564075314.db2.gz OYBGBVRXCPRHAD-UHFFFAOYSA-N 0 0 335.407 4.968 50 0 EJAARN c1ccc(Cc2nnc(CNc3ccccc3OC3CCCC3)o2)cc1 ZINC000086201499 564075330 /nfs/dbraw/zinc/07/53/30/564075330.db2.gz UARRTNXRDLHAGR-UHFFFAOYSA-N 0 0 349.434 4.594 50 0 EJAARN Cc1ccc(NC(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)cc1 ZINC000012850613 564075378 /nfs/dbraw/zinc/07/53/78/564075378.db2.gz IYRKWJNUQQFDMH-UHFFFAOYSA-N 0 0 334.419 4.838 50 0 EJAARN Cc1ccccc1[C@@H](Sc1nnc2ccccn21)c1ccccc1 ZINC000012853945 564075433 /nfs/dbraw/zinc/07/54/33/564075433.db2.gz CRXGVCGKKNVRLG-IBGZPJMESA-N 0 0 331.444 4.919 50 0 EJAARN Cc1ccccc1[C@H](Sc1nnc2ccccn21)c1ccccc1 ZINC000012853947 564075447 /nfs/dbraw/zinc/07/54/47/564075447.db2.gz CRXGVCGKKNVRLG-LJQANCHMSA-N 0 0 331.444 4.919 50 0 EJAARN Cc1cccc(-c2nc(-c3ccc4c(c3)nnn4C3CCCC3)no2)c1 ZINC000015823073 564075474 /nfs/dbraw/zinc/07/54/74/564075474.db2.gz GPTAGRLOOGHGHU-UHFFFAOYSA-N 0 0 345.406 4.572 50 0 EJAARN COc1ccccc1-c1noc(-c2cc3c(s2)CCCCC3)n1 ZINC000012856592 564075519 /nfs/dbraw/zinc/07/55/19/564075519.db2.gz UWALQKAVHZIWHC-UHFFFAOYSA-N 0 0 326.421 4.743 50 0 EJAARN CCC(CC)NC(=O)c1sc2nc(C(C)(C)C)nc(C)c2c1C ZINC000012859355 564075675 /nfs/dbraw/zinc/07/56/75/564075675.db2.gz RMYYREQQWZIPPU-UHFFFAOYSA-N 0 0 333.501 4.524 50 0 EJAARN COc1cc(C(=O)Nc2cccc(Cl)c2)nc2ccc(Cl)cc21 ZINC000015829247 564075775 /nfs/dbraw/zinc/07/57/75/564075775.db2.gz NPEMVMRWGRBPLS-UHFFFAOYSA-N 0 0 347.201 4.803 50 0 EJAARN COc1ccc(OC)c(NC(=O)Oc2ccc(Cl)c(Cl)c2)c1 ZINC000000398371 564075956 /nfs/dbraw/zinc/07/59/56/564075956.db2.gz SDSJAJDKRPYYGH-UHFFFAOYSA-N 0 0 342.178 4.622 50 0 EJAARN COc1c2ccccc2sc1CC(=O)Nc1ccc(Cl)cc1 ZINC000045068883 564076250 /nfs/dbraw/zinc/07/62/50/564076250.db2.gz JILODBKXRSAIFM-UHFFFAOYSA-N 0 0 331.824 4.745 50 0 EJAARN Clc1ccccc1-c1cc2ncc3c(n2n1)-c1ccccc1OC3 ZINC000045068560 564076281 /nfs/dbraw/zinc/07/62/81/564076281.db2.gz IZQYOGRCXYHLMY-UHFFFAOYSA-N 0 0 333.778 4.609 50 0 EJAARN S=C1O[C@@H]2CC3[C@H](c4ccccc4)C(C[C@@H]2O1)[C@@H]3c1ccccc1 ZINC000245482275 564076422 /nfs/dbraw/zinc/07/64/22/564076422.db2.gz BFHMZFVZCQTIBF-ICDVORIESA-N 0 0 336.456 4.663 50 0 EJAARN COc1ccc([C@H]2CCCN2Cc2ccc(Br)cc2)cc1 ZINC000015836952 564076481 /nfs/dbraw/zinc/07/64/81/564076481.db2.gz BQJLGXQFWIWBHI-GOSISDBHSA-N 0 0 346.268 4.795 50 0 EJAARN Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(C)cc2)s1 ZINC000015840134 564076620 /nfs/dbraw/zinc/07/66/20/564076620.db2.gz RWYGTXIELRIBAB-UHFFFAOYSA-N 0 0 328.462 4.670 50 0 EJAARN CC[C@@H]1CN(CC(=O)Nc2ccc(C)c(C)c2)c2ccccc2S1 ZINC000015865194 564077168 /nfs/dbraw/zinc/07/71/68/564077168.db2.gz XWGDIZRMEYGZOL-QGZVFWFLSA-N 0 0 340.492 4.633 50 0 EJAARN CCCC(=O)Nc1ccc(-c2csc(NCc3ccco3)n2)cc1 ZINC000012884030 564077473 /nfs/dbraw/zinc/07/74/73/564077473.db2.gz BCYSLPRLONFLPB-UHFFFAOYSA-N 0 0 341.436 4.754 50 0 EJAARN Fc1ccc(SC[C@H]2CSc3nnc(-c4ccccc4)n32)cc1 ZINC000012898116 564077651 /nfs/dbraw/zinc/07/76/51/564077651.db2.gz XNRXHLSEXQFJAD-AWEZNQCLSA-N 0 0 343.452 4.523 50 0 EJAARN CC(C)(C)c1cc(NC(=O)c2ccsc2)n(Cc2ccccc2)n1 ZINC000012918232 564078088 /nfs/dbraw/zinc/07/80/88/564078088.db2.gz CKRXLWLRGJHTAS-UHFFFAOYSA-N 0 0 339.464 4.543 50 0 EJAARN O=C(Nc1cccc(Br)c1)[C@@H]1CCCc2ccccc21 ZINC000012918307 564078098 /nfs/dbraw/zinc/07/80/98/564078098.db2.gz SOKJLZBVUGQWBF-MRXNPFEDSA-N 0 0 330.225 4.508 50 0 EJAARN Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(C)c(Cl)c3)c12 ZINC000012923268 564078424 /nfs/dbraw/zinc/07/84/24/564078424.db2.gz QUZCBYFRRPLUHF-UHFFFAOYSA-N 0 0 341.798 4.623 50 0 EJAARN Cc1cc(C)c(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)c(C)c1 ZINC000012927251 564078567 /nfs/dbraw/zinc/07/85/67/564078567.db2.gz NCRQWVXSFADAAC-UHFFFAOYSA-N 0 0 345.446 4.539 50 0 EJAARN Cc1nc(-c2cccs2)sc1C(=O)N[C@@H](C)c1ccccc1 ZINC000012931847 564078812 /nfs/dbraw/zinc/07/88/12/564078812.db2.gz GGEGZUQSLWCTHG-NSHDSACASA-N 0 0 328.462 4.671 50 0 EJAARN O=C(N[C@H](c1nccs1)C1CC1)N1CCCCC[C@H]1c1ccco1 ZINC000074708538 564079036 /nfs/dbraw/zinc/07/90/36/564079036.db2.gz QKUSZDOTIAEREZ-HOCLYGCPSA-N 0 0 345.468 4.514 50 0 EJAARN Cc1ccc2[nH]c(SCC(=O)c3cccc4ccccc43)nc2c1 ZINC000006187976 564080332 /nfs/dbraw/zinc/08/03/32/564080332.db2.gz PNUGPBJXNHCLNV-UHFFFAOYSA-N 0 0 332.428 5.000 50 0 EJAARN CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1cccc(OC(F)F)c1 ZINC000075144139 564080656 /nfs/dbraw/zinc/08/06/56/564080656.db2.gz XERMDTLNKYBPOP-INIZCTEOSA-N 0 0 349.381 4.688 50 0 EJAARN Cc1cc2c(cc1-c1ccnc(N3CCCC3)n1)[C@H](C)CC(C)(C)N2 ZINC000575473270 564081010 /nfs/dbraw/zinc/08/10/10/564081010.db2.gz PYXWAIJFDPBLAM-OAHLLOKOSA-N 0 0 336.483 4.750 50 0 EJAARN O=C1N[C@@](c2ccccc2)(C(F)(F)F)c2ccc3ccccc3c2O1 ZINC000075249768 564081153 /nfs/dbraw/zinc/08/11/53/564081153.db2.gz UHIHBLVASFQGMB-GOSISDBHSA-N 0 0 343.304 4.748 50 0 EJAARN O=C(Nc1ccc(Cl)cc1)c1c(-c2ccccc2)nc2ccccn21 ZINC000075260677 564081311 /nfs/dbraw/zinc/08/13/11/564081311.db2.gz LJEBDAKOSIUFGW-UHFFFAOYSA-N 0 0 347.805 4.907 50 0 EJAARN Cc1cc(C)n(C(=O)[C@H]2CC=C(C)C[C@H]2c2ccc(Cl)cc2)n1 ZINC000075273255 564081389 /nfs/dbraw/zinc/08/13/89/564081389.db2.gz VFKCAZZEXJVLOT-ROUUACIJSA-N 0 0 328.843 4.934 50 0 EJAARN O=C(C1CCC(F)(F)CC1)N(Cc1ccccn1)c1ccc(F)cc1 ZINC000089423850 564081642 /nfs/dbraw/zinc/08/16/42/564081642.db2.gz SRVSCJKXNMCIQJ-UHFFFAOYSA-N 0 0 348.368 4.579 50 0 EJAARN CC(=O)c1csc(C(=O)N(c2cnc3ccccc3c2)C(C)C)c1 ZINC000390835320 564082200 /nfs/dbraw/zinc/08/22/00/564082200.db2.gz KOHYLTFJVHLPLK-UHFFFAOYSA-N 0 0 338.432 4.554 50 0 EJAARN O=C(NCc1ccc(-c2cccs2)o1)c1c(F)cccc1Cl ZINC000575609124 564082471 /nfs/dbraw/zinc/08/24/71/564082471.db2.gz OUEATUVPXNSLLP-UHFFFAOYSA-N 0 0 335.787 4.731 50 0 EJAARN CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCC(=O)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000000173967 564082511 /nfs/dbraw/zinc/08/25/11/564082511.db2.gz SYTVBUBBHFDVIK-QTAXEDJGSA-N 0 0 332.484 4.530 50 0 EJAARN Clc1ccc([C@H]2C[C@H](c3ccccc3)Nc3ncnn32)cc1Cl ZINC000000407833 564082607 /nfs/dbraw/zinc/08/26/07/564082607.db2.gz IRASPZCLJPCCGN-HZPDHXFCSA-N 0 0 345.233 4.731 50 0 EJAARN Clc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3ncnn32)cc1Cl ZINC000000407834 564082638 /nfs/dbraw/zinc/08/26/38/564082638.db2.gz IRASPZCLJPCCGN-JKSUJKDBSA-N 0 0 345.233 4.731 50 0 EJAARN COCc1c2ccccc2oc1C(=O)O[C@H](C)c1ccc(F)cc1 ZINC000006216499 564082979 /nfs/dbraw/zinc/08/29/79/564082979.db2.gz YBMKPPGUTNWCRZ-GFCCVEGCSA-N 0 0 328.339 4.636 50 0 EJAARN COc1cc(C)c(NC(=O)c2ccccc2-c2ccccc2)cc1OC ZINC000006258871 564083305 /nfs/dbraw/zinc/08/33/05/564083305.db2.gz IVLQHQWPPKAYQM-UHFFFAOYSA-N 0 0 347.414 4.932 50 0 EJAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(Cl)cc1F ZINC000006270967 564083480 /nfs/dbraw/zinc/08/34/80/564083480.db2.gz KUWXEMIOHUZECU-SNVBAGLBSA-N 0 0 342.197 4.847 50 0 EJAARN CCCC[C@@H](CC)C(=O)N1CCn2cccc2[C@@H]1c1cccc(F)c1 ZINC000006273849 564083434 /nfs/dbraw/zinc/08/34/34/564083434.db2.gz XBIHDKSBGHVCSK-UZLBHIALSA-N 0 0 342.458 4.775 50 0 EJAARN CC(C)c1ccsc1C(=O)O[C@H](C)c1nnc(-c2cccs2)o1 ZINC000064008645 564083514 /nfs/dbraw/zinc/08/35/14/564083514.db2.gz AQBBLBWHQSHQFW-SNVBAGLBSA-N 0 0 348.449 4.901 50 0 EJAARN O=C(Oc1ccc2cc(Br)ccc2c1)c1ccc(F)cc1 ZINC000006284022 564083566 /nfs/dbraw/zinc/08/35/66/564083566.db2.gz DRLJQYQJMVMTCO-UHFFFAOYSA-N 0 0 345.167 4.961 50 0 EJAARN c1csc(-c2nc(SCc3csc(C4CCCC4)n3)n[nH]2)c1 ZINC000064023948 564083635 /nfs/dbraw/zinc/08/36/35/564083635.db2.gz DKFOYHWDVJWSPB-UHFFFAOYSA-N 0 0 348.522 4.940 50 0 EJAARN O=C(NCCc1ccc(F)cc1)c1cccc(Oc2ccccc2)c1 ZINC000006305359 564083735 /nfs/dbraw/zinc/08/37/35/564083735.db2.gz AVFUFMZLTMAKEI-UHFFFAOYSA-N 0 0 335.378 4.591 50 0 EJAARN CC(C)(C)c1ccc(NC(=O)C[NH2+][C@H]2CCCc3ccccc32)cc1 ZINC000006313559 564084444 /nfs/dbraw/zinc/08/44/44/564084444.db2.gz OXDDHNUWUCZFOE-FQEVSTJZSA-N 0 0 336.479 4.590 50 0 EJAARN CCOC(=O)c1sc(NC(=O)c2ccc3ccccc3c2)cc1C ZINC000006331503 564085206 /nfs/dbraw/zinc/08/52/06/564085206.db2.gz SGRUQMUGNGVDKQ-UHFFFAOYSA-N 0 0 339.416 4.639 50 0 EJAARN O=C(COc1ccc2c(c1)CCC2)Nc1ccc(SC(F)F)cc1 ZINC000006336055 564085210 /nfs/dbraw/zinc/08/52/10/564085210.db2.gz NAULPFQWZVNUKZ-UHFFFAOYSA-N 0 0 349.402 4.508 50 0 EJAARN O=C(Nc1ccccc1)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000006338483 564085239 /nfs/dbraw/zinc/08/52/39/564085239.db2.gz BDFHCXDLUGHVAV-UHFFFAOYSA-N 0 0 339.398 4.792 50 0 EJAARN Cc1sc(-c2noc(C3CCC3)n2)cc1NC(=O)C1CCCCC1 ZINC000035555088 564085258 /nfs/dbraw/zinc/08/52/58/564085258.db2.gz GMDFLDZBYQPOOA-UHFFFAOYSA-N 0 0 345.468 4.893 50 0 EJAARN COc1cc2ccccc2cc1C(=O)Nc1ccc(F)c(F)c1F ZINC000006376367 564085329 /nfs/dbraw/zinc/08/53/29/564085329.db2.gz LDJWUUFCPGKVSN-UHFFFAOYSA-N 0 0 331.293 4.518 50 0 EJAARN CC(C)OC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccco1)CC2 ZINC000016222462 564085445 /nfs/dbraw/zinc/08/54/45/564085445.db2.gz QDTNQCIVRXTUAJ-OWBHPGMISA-N 0 0 333.387 4.880 50 0 EJAARN CCc1ccc(-c2nnc(-c3ccc(Br)cc3)o2)cc1 ZINC000006419341 564085626 /nfs/dbraw/zinc/08/56/26/564085626.db2.gz MEUKXJZPSWGXSV-UHFFFAOYSA-N 0 0 329.197 4.729 50 0 EJAARN CCCc1nc2cc(CCC(=O)Nc3cccc(Cl)c3)ccc2[nH]1 ZINC000075465605 564085961 /nfs/dbraw/zinc/08/59/61/564085961.db2.gz BXGZAPBEODRLLQ-UHFFFAOYSA-N 0 0 341.842 4.740 50 0 EJAARN C[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccc(Cl)cc1 ZINC000013004854 564086370 /nfs/dbraw/zinc/08/63/70/564086370.db2.gz YFDMSILCBJNXEP-CYBMUJFWSA-N 0 0 326.827 4.631 50 0 EJAARN CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@@H]1CC=CCC1 ZINC000013013169 564086713 /nfs/dbraw/zinc/08/67/13/564086713.db2.gz KRSXWCUVPLXNRH-OAQYLSRUSA-N 0 0 349.474 4.970 50 0 EJAARN C[C@H](CCc1ccccc1)NC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000013011636 564086736 /nfs/dbraw/zinc/08/67/36/564086736.db2.gz KHJMDIIVDJJRLW-OAHLLOKOSA-N 0 0 330.859 4.503 50 0 EJAARN CN(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1F ZINC000013023172 564086935 /nfs/dbraw/zinc/08/69/35/564086935.db2.gz GHMYUMBDDPQDQZ-UHFFFAOYSA-N 0 0 340.225 4.724 50 0 EJAARN C(=C\c1ccccc1)\c1nn2c(nnc2-c2cc3ccccc3o2)s1 ZINC000224120933 564087422 /nfs/dbraw/zinc/08/74/22/564087422.db2.gz USVJIURNCHZQLI-KHPPLWFESA-N 0 0 344.399 4.769 50 0 EJAARN CCCOC(=O)c1cccc(Nc2ncnc3sc(C)c(C)c32)c1 ZINC000001776860 564087530 /nfs/dbraw/zinc/08/75/30/564087530.db2.gz FGOLRPOJHPMDBE-UHFFFAOYSA-N 0 0 341.436 4.619 50 0 EJAARN COc1cc(NC(=O)c2cccc3ccccc32)c(OC)cc1Cl ZINC000000168733 564087586 /nfs/dbraw/zinc/08/75/86/564087586.db2.gz YMFDHCMYWDHYPR-UHFFFAOYSA-N 0 0 341.794 4.763 50 0 EJAARN CCCCOC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000001793627 564087683 /nfs/dbraw/zinc/08/76/83/564087683.db2.gz AGWZOSMWPINHBK-UHFFFAOYSA-N 0 0 331.799 4.549 50 0 EJAARN Cc1nc(-c2cccc(NC(=O)CCCC3CCCCC3)c2)no1 ZINC000064330347 564087728 /nfs/dbraw/zinc/08/77/28/564087728.db2.gz LVAOOWOHZLRZOD-UHFFFAOYSA-N 0 0 327.428 4.734 50 0 EJAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2cccs2)o1 ZINC000239653774 564088190 /nfs/dbraw/zinc/08/81/90/564088190.db2.gz BLHKCRGTBCQZJH-BEFAXECRSA-N 0 0 336.416 4.892 50 0 EJAARN COc1ccc([C@@H]2C[C@]23CC[C@@]2(C[C@H]2c2ccc(OC)cc2)C3=O)cc1 ZINC000245256632 564088654 /nfs/dbraw/zinc/08/86/54/564088654.db2.gz SCWGCMYYEYQDTI-BAMDZGJYSA-N 0 0 348.442 4.714 50 0 EJAARN CC[C@H](Sc1nncn1-c1ccccc1OC)c1ccccc1 ZINC000064367964 564089442 /nfs/dbraw/zinc/08/94/42/564089442.db2.gz YVUFARBXOUNYBT-KRWDZBQOSA-N 0 0 325.437 4.519 50 0 EJAARN CCn1c(-c2cc(NC(=O)c3cccc(C)c3)n[nH]2)cc2ccccc21 ZINC000075558598 564089523 /nfs/dbraw/zinc/08/95/23/564089523.db2.gz NQSSSNOPMVOKDV-UHFFFAOYSA-N 0 0 344.418 4.612 50 0 EJAARN CCOC(=O)N1CCCc2c(c3ccccc3n2Cc2ccccc2)C1 ZINC000075566963 564089564 /nfs/dbraw/zinc/08/95/64/564089564.db2.gz YUXTXIAGBFJZOI-UHFFFAOYSA-N 0 0 348.446 4.594 50 0 EJAARN c1nc2sc3c(c2c(NCC24CC5CC(CC(C5)C2)C4)n1)CCC3 ZINC000006477040 564089749 /nfs/dbraw/zinc/08/97/49/564089749.db2.gz NWUZOGPNPPOQGW-UHFFFAOYSA-N 0 0 339.508 4.808 50 0 EJAARN CC(=NNc1ccc2ccccc2n1)c1ccc2ccccc2c1O ZINC000252457563 564090098 /nfs/dbraw/zinc/09/00/98/564090098.db2.gz RMZOQAMOECWONV-UHFFFAOYSA-N 0 0 327.387 4.930 50 0 EJAARN CCCC[C@@H](NC(C)=O)c1nc2ccccc2n1Cc1ccccc1C ZINC000001927006 564090257 /nfs/dbraw/zinc/09/02/57/564090257.db2.gz CTDXJNAULXXMRZ-HXUWFJFHSA-N 0 0 349.478 4.760 50 0 EJAARN O=C(Nc1ccc(OCc2cccc3cccnc32)cc1)c1ccco1 ZINC000054149264 564090305 /nfs/dbraw/zinc/09/03/05/564090305.db2.gz MHSFMIJSARZMGW-UHFFFAOYSA-N 0 0 344.370 4.659 50 0 EJAARN CC(C)Oc1ccc([C@@H](CC(=O)N2CCCC2)c2ccccc2)cc1 ZINC000000487946 564090522 /nfs/dbraw/zinc/09/05/22/564090522.db2.gz IWULHUSXJHRRTB-NRFANRHFSA-N 0 0 337.463 4.618 50 0 biogenic EJAARN Cc1ccc(-c2csc(NC(=O)c3cc(F)cc(F)c3)n2)cc1C ZINC000006508951 564091222 /nfs/dbraw/zinc/09/12/22/564091222.db2.gz CFTHDSLKAYEGJU-UHFFFAOYSA-N 0 0 344.386 4.957 50 0 EJAARN O=C(Nc1ccc(F)cc1)Nc1ncc(C(F)(F)F)cc1Cl ZINC000006527971 564091457 /nfs/dbraw/zinc/09/14/57/564091457.db2.gz DTJAQOKZZRBQQQ-UHFFFAOYSA-N 0 0 333.672 4.537 50 0 EJAARN O=C(NC1CC1)c1scc(-c2ccc(Cl)cc2)c1-n1cccc1 ZINC000064472761 564091504 /nfs/dbraw/zinc/09/15/04/564091504.db2.gz MQNXIBFWKJJISJ-UHFFFAOYSA-N 0 0 342.851 4.751 50 0 EJAARN Fc1ccc(N2C(=S)N=NC2[C@@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000006534073 564091658 /nfs/dbraw/zinc/09/16/58/564091658.db2.gz WSPYYBNELOKGKD-HUUCEWRRSA-N 0 0 345.830 4.620 50 0 EJAARN O=C(Cc1cccs1)Nc1nc(-c2c[nH]c3ccccc32)cs1 ZINC000006553158 564091991 /nfs/dbraw/zinc/09/19/91/564091991.db2.gz IMFXGSFRBXFXOK-UHFFFAOYSA-N 0 0 339.445 4.534 50 0 EJAARN CC1CCN(C(=O)c2cc(Nc3ccccc3)c3ccccc3n2)CC1 ZINC000064568396 564092245 /nfs/dbraw/zinc/09/22/45/564092245.db2.gz BRKUQEBXFDTNEM-UHFFFAOYSA-N 0 0 345.446 4.851 50 0 EJAARN CC(=O)N1N=C(c2ccccc2Cl)O[C@H]1c1ccc(C(C)C)cc1 ZINC000064567373 564092251 /nfs/dbraw/zinc/09/22/51/564092251.db2.gz DGWPJEUXLLRABN-IBGZPJMESA-N 0 0 342.826 4.703 50 0 EJAARN CCc1ccc(NC(=O)c2cncc(-c3cccc(OC)c3)c2)cc1 ZINC000064568305 564092255 /nfs/dbraw/zinc/09/22/55/564092255.db2.gz HNXKRYBZNZGJNR-UHFFFAOYSA-N 0 0 332.403 4.572 50 0 EJAARN C[C@H](SC1=Nc2ccccc2CS1)C(=O)N(C)c1ccccc1 ZINC000006588222 564092366 /nfs/dbraw/zinc/09/23/66/564092366.db2.gz VVTXXAGVBAJBHW-ZDUSSCGKSA-N 0 0 342.489 4.706 50 0 EJAARN COc1ccccc1C(=O)COc1ccc(OCc2ccccc2)cc1 ZINC000006605112 564093069 /nfs/dbraw/zinc/09/30/69/564093069.db2.gz IOTAAKAQZSJZIS-UHFFFAOYSA-N 0 0 348.398 4.536 50 0 EJAARN C[C@H](Oc1ccc(Cl)cc1Cl)c1nc(-c2cccnc2)no1 ZINC000004171381 564093073 /nfs/dbraw/zinc/09/30/73/564093073.db2.gz VTJZSCNCVNAMGJ-VIFPVBQESA-N 0 0 336.178 4.578 50 0 EJAARN Cc1ccc(-c2nnc(S[C@@H](C)C(=O)c3ccccc3)o2)cc1C ZINC000006609380 564093263 /nfs/dbraw/zinc/09/32/63/564093263.db2.gz GQECLTWTERAVQU-AWEZNQCLSA-N 0 0 338.432 4.717 50 0 EJAARN Cc1onc(-c2ccccc2)c1C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000006628353 564094717 /nfs/dbraw/zinc/09/47/17/564094717.db2.gz KJZRXOUARRCTBT-GFCCVEGCSA-N 0 0 340.810 4.794 50 0 EJAARN Cc1ccc(-c2noc3c2nc(C)nc3NCc2ccccc2)cc1 ZINC000064658470 564094720 /nfs/dbraw/zinc/09/47/20/564094720.db2.gz XCOFPCCADKDKHR-UHFFFAOYSA-N 0 0 330.391 4.514 50 0 EJAARN Cc1nc(-c2ccc(-c3noc(-c4ccsc4)n3)cc2)cs1 ZINC000064669021 564094992 /nfs/dbraw/zinc/09/49/92/564094992.db2.gz MEJRAWQGOTZPBM-UHFFFAOYSA-N 0 0 325.418 4.897 50 0 EJAARN Cc1nc(-c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)cs1 ZINC000064669062 564095002 /nfs/dbraw/zinc/09/50/02/564095002.db2.gz NFUMFDLHWXVPAC-UHFFFAOYSA-N 0 0 337.379 4.975 50 0 EJAARN Cc1nc(-c2ccc(-c3noc(Cc4cccs4)n3)cc2)cs1 ZINC000064669071 564095014 /nfs/dbraw/zinc/09/50/14/564095014.db2.gz YLYDSLKIAQXMIK-UHFFFAOYSA-N 0 0 339.445 4.821 50 0 EJAARN Fc1cccc(-c2noc(-c3ccc(NC4CCCCC4)nc3)n2)c1 ZINC000064676863 564095267 /nfs/dbraw/zinc/09/52/67/564095267.db2.gz UBSQSUOTAAXWQV-UHFFFAOYSA-N 0 0 338.386 4.682 50 0 EJAARN O=C(c1ccc(-c2csc(C3CC3)n2)cc1)N1CCCCCC1 ZINC000064677553 564095375 /nfs/dbraw/zinc/09/53/75/564095375.db2.gz MVIKDRHCDHSKRC-UHFFFAOYSA-N 0 0 326.465 4.704 50 0 EJAARN Fc1ccc(-c2csc(SCc3cn4ccccc4n3)n2)cc1 ZINC000006651855 564095382 /nfs/dbraw/zinc/09/53/82/564095382.db2.gz VPWSHDCQVUCFPC-UHFFFAOYSA-N 0 0 341.436 4.889 50 0 EJAARN CCCOC(=O)c1nc2cc(C)c(C)cc2nc1Nc1ccc(C)cc1 ZINC000064690498 564095485 /nfs/dbraw/zinc/09/54/85/564095485.db2.gz FESWZLFELFCIRE-UHFFFAOYSA-N 0 0 349.434 4.865 50 0 EJAARN COc1ccc(C)cc1NCC(=O)Nc1ccccc1-c1ccccc1 ZINC000007972989 564095525 /nfs/dbraw/zinc/09/55/25/564095525.db2.gz KFHDUIKJEMHWFS-UHFFFAOYSA-N 0 0 346.430 4.721 50 0 EJAARN COc1c(C(=O)NCc2ccc(C)c(C)c2)sc2cccc(F)c21 ZINC000064756351 564095912 /nfs/dbraw/zinc/09/59/12/564095912.db2.gz XFGQVOGLEBILCB-UHFFFAOYSA-N 0 0 343.423 4.596 50 0 EJAARN CCN(Cc1ccccc1)C(=O)c1sc2cccc(F)c2c1OC ZINC000064756323 564095919 /nfs/dbraw/zinc/09/59/19/564095919.db2.gz MWIUTUJDMQIAQN-UHFFFAOYSA-N 0 0 343.423 4.711 50 0 EJAARN COc1c2cc(Cl)ccc2sc1C(=O)Nc1cccc(F)c1 ZINC000064756538 564095962 /nfs/dbraw/zinc/09/59/62/564095962.db2.gz FOYWWQJDQMAUFR-UHFFFAOYSA-N 0 0 335.787 4.955 50 0 EJAARN Cc1cccc(NC(=O)c2ccccc2F)c1-c1nc2ncccc2o1 ZINC000006710389 564096288 /nfs/dbraw/zinc/09/62/88/564096288.db2.gz AHTQLPNFIMJLTH-UHFFFAOYSA-N 0 0 347.349 4.590 50 0 EJAARN Cc1ccc([C@@H](CC(=O)NC(C)C)c2cn(C)c3ccccc23)cc1 ZINC000006713799 564096310 /nfs/dbraw/zinc/09/63/10/564096310.db2.gz JIKANBKASSUPQV-LJQANCHMSA-N 0 0 334.463 4.533 50 0 EJAARN CCCCNC(=O)C[C@H](c1cn(C)c2ccccc12)c1ccc(C)cc1 ZINC000006724663 564096467 /nfs/dbraw/zinc/09/64/67/564096467.db2.gz ZFBMLAIFEPIZGR-FQEVSTJZSA-N 0 0 348.490 4.925 50 0 EJAARN Cc1ccc(Nc2ncnc3c(-c4ccccc4)noc32)cc1Cl ZINC000064820836 564096599 /nfs/dbraw/zinc/09/65/99/564096599.db2.gz XOTDGTLUORCOEF-UHFFFAOYSA-N 0 0 336.782 4.990 50 0 EJAARN CSc1ccc(CNc2ncnc3c(-c4ccccc4)noc32)cc1 ZINC000064820858 564096613 /nfs/dbraw/zinc/09/66/13/564096613.db2.gz VVONAKUXLUSUTG-UHFFFAOYSA-N 0 0 348.431 4.619 50 0 EJAARN Cc1ccc(-c2nnn3c2nc(NCCC(C)C)c2ccccc23)cc1 ZINC000006738883 564096744 /nfs/dbraw/zinc/09/67/44/564096744.db2.gz JZMXSAIIEWUVGJ-UHFFFAOYSA-N 0 0 345.450 4.711 50 0 EJAARN Cc1cc(OCc2noc(-c3ccccc3F)n2)cc(C)c1Cl ZINC000006747911 564097005 /nfs/dbraw/zinc/09/70/05/564097005.db2.gz JHQLMTDWCVMMNV-UHFFFAOYSA-N 0 0 332.762 4.725 50 0 EJAARN Cc1ccc(OCCCCSCc2nc3ccccc3[nH]2)cc1 ZINC000006752632 564097170 /nfs/dbraw/zinc/09/71/70/564097170.db2.gz QUJJELOIZAZXRK-UHFFFAOYSA-N 0 0 326.465 4.964 50 0 EJAARN COc1ccc(C(=O)N2CCc3sccc3C2)cc1-c1ccccc1 ZINC000064898983 564097542 /nfs/dbraw/zinc/09/75/42/564097542.db2.gz PQYCUNIGNSTLMU-UHFFFAOYSA-N 0 0 349.455 4.622 50 0 EJAARN CCn1cc(CCCC(=O)N[C@H]2CCCC[C@@H]2C)c2ccccc21 ZINC000006782778 564097659 /nfs/dbraw/zinc/09/76/59/564097659.db2.gz ZHBKQQUUGRIONJ-LPHOPBHVSA-N 0 0 326.484 4.679 50 0 EJAARN Fc1ccccc1Nc1nnc(SCCc2ccccc2)s1 ZINC000006787167 564097746 /nfs/dbraw/zinc/09/77/46/564097746.db2.gz GVGAQNARUDLMNP-UHFFFAOYSA-N 0 0 331.441 4.756 50 0 EJAARN O=C(Cc1c(F)cccc1Cl)Nc1cccc(C(F)(F)F)c1 ZINC000006788753 564097864 /nfs/dbraw/zinc/09/78/64/564097864.db2.gz DZMZMLVYWLEVJR-UHFFFAOYSA-N 0 0 331.696 4.679 50 0 EJAARN CC(C)(C)c1ccc(OCCCC(=O)NCc2cccs2)cc1 ZINC000006790615 564097924 /nfs/dbraw/zinc/09/79/24/564097924.db2.gz VWROBLHSSBVFAW-UHFFFAOYSA-N 0 0 331.481 4.521 50 0 EJAARN CC(C)Oc1ccc(C(=O)N(Cc2ccccc2)c2ccccn2)cc1 ZINC000006804382 564098314 /nfs/dbraw/zinc/09/83/14/564098314.db2.gz AVTZTDOEIBIQHR-UHFFFAOYSA-N 0 0 346.430 4.716 50 0 EJAARN CCCCC(=O)Oc1cc2sc(=O)oc2c(-c2ccccc2)c1 ZINC000006809655 564098435 /nfs/dbraw/zinc/09/84/35/564098435.db2.gz JYJADZDKQTVYTK-UHFFFAOYSA-N 0 0 328.389 4.617 50 0 EJAARN CCc1ccc2occ(CC(=O)Nc3ccc(OC)c(Cl)c3)c2c1 ZINC000006809755 564098471 /nfs/dbraw/zinc/09/84/71/564098471.db2.gz AUDMTOZEHQQLPA-UHFFFAOYSA-N 0 0 343.810 4.838 50 0 EJAARN COc1ccc(NC(=O)Cc2coc3ccc(C)cc23)cc1Cl ZINC000006809735 564098478 /nfs/dbraw/zinc/09/84/78/564098478.db2.gz FXXUEWOMRGUOPQ-UHFFFAOYSA-N 0 0 329.783 4.584 50 0 EJAARN Cc1ccc(-c2nn3c(-c4ccco4)nnc3c3ccccc32)cc1 ZINC000006810813 564098582 /nfs/dbraw/zinc/09/85/82/564098582.db2.gz QEVWETMTJXQUGB-UHFFFAOYSA-N 0 0 326.359 4.513 50 0 EJAARN O=C(NC1CCCCCC1)c1ccc2nc(Cc3ccccc3)oc2c1 ZINC000064967832 564098750 /nfs/dbraw/zinc/09/87/50/564098750.db2.gz CJZQQEFTBHWEJG-UHFFFAOYSA-N 0 0 348.446 4.871 50 0 EJAARN CCOc1ccc(-c2nc(NC(=O)C3CCCC3)sc2C)cc1 ZINC000006832395 564099236 /nfs/dbraw/zinc/09/92/36/564099236.db2.gz PRCJPBBLGFQWLW-UHFFFAOYSA-N 0 0 330.453 4.646 50 0 EJAARN Cc1ccc2c(c1)N(C(=O)Nc1cc(Cl)ccc1C)C[C@@H](C)O2 ZINC000006842744 564099455 /nfs/dbraw/zinc/09/94/55/564099455.db2.gz LLVXWPOZJKBUNF-CYBMUJFWSA-N 0 0 330.815 4.776 50 0 EJAARN CCOc1ccc(NC(=O)N2C[C@@H](CC)Oc3ccc(C)cc32)cc1 ZINC000006843244 564099488 /nfs/dbraw/zinc/09/94/88/564099488.db2.gz UDOWCQUNPCYRTF-MRXNPFEDSA-N 0 0 340.423 4.603 50 0 EJAARN CC[C@H]1CN(C(=O)Nc2cc(Cl)ccc2OC)c2ccccc2O1 ZINC000006844197 564099511 /nfs/dbraw/zinc/09/95/11/564099511.db2.gz DPTUJQMPVBSKAV-ZDUSSCGKSA-N 0 0 346.814 4.558 50 0 EJAARN CC[C@@H]1CN(C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2O1 ZINC000006843929 564099530 /nfs/dbraw/zinc/09/95/30/564099530.db2.gz YTQDFCUWEGSMGR-CQSZACIVSA-N 0 0 330.815 4.858 50 0 EJAARN CCC(C)(C)c1ccc2c(C(=O)N[C@H](C)[C@@H]3CCCO3)csc2c1 ZINC000006850625 564099601 /nfs/dbraw/zinc/09/96/01/564099601.db2.gz AOLXFPVSSXENRY-DYVFJYSZSA-N 0 0 345.508 4.886 50 0 EJAARN C[C@H]1CCc2ccccc2N1C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000006850030 564099604 /nfs/dbraw/zinc/09/96/04/564099604.db2.gz HTYDLFAFNUQRJA-ZDUSSCGKSA-N 0 0 333.353 4.616 50 0 EJAARN O=C(Nc1ccc(Cl)cc1)c1ccc(-c2cccc(F)c2)nc1 ZINC000065030136 564099702 /nfs/dbraw/zinc/09/97/02/564099702.db2.gz OESUNHQDRAMIRH-UHFFFAOYSA-N 0 0 326.758 4.793 50 0 EJAARN Cc1ccc(-c2ccc(C(=O)NCc3ccccc3Cl)cn2)cc1 ZINC000065030102 564099721 /nfs/dbraw/zinc/09/97/21/564099721.db2.gz ZOGRKKMMYIFNNJ-UHFFFAOYSA-N 0 0 336.822 4.640 50 0 EJAARN COc1cc(-c2ccccc2)nc2ccc(NC(=O)C3CCC3)cc21 ZINC000065034127 564099852 /nfs/dbraw/zinc/09/98/52/564099852.db2.gz NDURCDPMTHGSEE-UHFFFAOYSA-N 0 0 332.403 4.649 50 0 EJAARN COC(=O)c1cc(Nc2ccc(C)cc2Cl)c2cc(F)ccc2n1 ZINC000065033610 564099906 /nfs/dbraw/zinc/09/99/06/564099906.db2.gz VHFCZHINPMMBSV-UHFFFAOYSA-N 0 0 344.773 4.866 50 0 EJAARN COc1ccc(Cl)cc1NC(=O)N1C[C@@H](C)Sc2ccccc21 ZINC000006876903 564100305 /nfs/dbraw/zinc/10/03/05/564100305.db2.gz JRCCFXMQBVLGOC-LLVKDONJSA-N 0 0 348.855 4.881 50 0 EJAARN COc1ccc(C)cc1NC(=O)N1C[C@H](C)Sc2ccccc21 ZINC000006876965 564100314 /nfs/dbraw/zinc/10/03/14/564100314.db2.gz WXMADPNTICTSAY-ZDUSSCGKSA-N 0 0 328.437 4.536 50 0 EJAARN O=C(CCCCc1nc2ccccc2s1)NC1CCCCCC1 ZINC000006881572 564100597 /nfs/dbraw/zinc/10/05/97/564100597.db2.gz CIIJGSJGYSSKIT-UHFFFAOYSA-N 0 0 330.497 4.848 50 0 EJAARN CC(=O)c1ccccc1NC(=O)[C@H](c1ccc(Cl)cc1)C(C)C ZINC000006881759 564100600 /nfs/dbraw/zinc/10/06/00/564100600.db2.gz TUUOTWQKJRWBTM-SFHVURJKSA-N 0 0 329.827 4.921 50 0 EJAARN Cc1nc(C(C)C)sc1C(=O)Nc1cccc(COCC2CC2)c1 ZINC000065082160 564100776 /nfs/dbraw/zinc/10/07/76/564100776.db2.gz LYWNXOVAICWQHK-UHFFFAOYSA-N 0 0 344.480 4.754 50 0 EJAARN CCOCCCNC(=O)c1c(C)sc2cc(-c3ccccc3)oc21 ZINC000065081703 564100804 /nfs/dbraw/zinc/10/08/04/564100804.db2.gz UPDWRKHOBUDOIS-UHFFFAOYSA-N 0 0 343.448 4.626 50 0 EJAARN COc1ccc2oc(-c3noc(-c4ccc(C)c(F)c4)n3)c(C)c2c1 ZINC000065097328 564101035 /nfs/dbraw/zinc/10/10/35/564101035.db2.gz BWAVOGIZVZPSET-UHFFFAOYSA-N 0 0 338.338 4.914 50 0 EJAARN COc1ccc2oc(-c3noc(/C=C/c4ccccc4)n3)c(C)c2c1 ZINC000065097322 564101060 /nfs/dbraw/zinc/10/10/60/564101060.db2.gz RMVTXRXOGZKXDX-DHZHZOJOSA-N 0 0 332.359 4.970 50 0 EJAARN Cc1ccc(C)c(CSc2nnc(-c3ccc(F)cc3)n2C)c1 ZINC000006913761 564101274 /nfs/dbraw/zinc/10/12/74/564101274.db2.gz MPMHZCLBTNNLEL-UHFFFAOYSA-N 0 0 327.428 4.530 50 0 EJAARN Cc1ccc(NC(=O)c2sc(-n3cccc3)nc2C(C)C)c(F)c1 ZINC000065118495 564101420 /nfs/dbraw/zinc/10/14/20/564101420.db2.gz BFXZVJABHIBYCW-UHFFFAOYSA-N 0 0 343.427 4.757 50 0 EJAARN Cc1ccc(-c2nc(-c3ccc4c(c3)oc(=O)n4C(C)C)no2)cc1C ZINC000065138342 564101577 /nfs/dbraw/zinc/10/15/77/564101577.db2.gz KBZZNNRVIPPQKA-UHFFFAOYSA-N 0 0 349.390 4.509 50 0 EJAARN CCCn1cc2c3c1cccc3CN(C(=O)Nc1cccc(C)c1)CC2 ZINC000065149024 564101663 /nfs/dbraw/zinc/10/16/63/564101663.db2.gz ONMFOIJCZVKHQX-UHFFFAOYSA-N 0 0 347.462 4.950 50 0 EJAARN CCn1cc2c3c1cccc3CN(C(=O)Nc1ccc(C)cc1C)CC2 ZINC000065148987 564101676 /nfs/dbraw/zinc/10/16/76/564101676.db2.gz GKFMXNQKMGRSLS-UHFFFAOYSA-N 0 0 347.462 4.868 50 0 EJAARN CC[C@@H](C(=O)Nc1cc(-c2nnc(C)o2)sc1C)c1ccccc1 ZINC000065149189 564101677 /nfs/dbraw/zinc/10/16/77/564101677.db2.gz YQBYZHUXDGOHST-CQSZACIVSA-N 0 0 341.436 4.547 50 0 EJAARN CC(C)Cn1cc2c3c1cccc3CN(C(=O)Nc1ccccc1)CC2 ZINC000065149030 564101678 /nfs/dbraw/zinc/10/16/78/564101678.db2.gz CUCFDWDXFUKURD-UHFFFAOYSA-N 0 0 347.462 4.888 50 0 EJAARN Cc1sc(-c2nnc(C(C)C)o2)cc1NC(=O)c1ccsc1 ZINC000065149296 564101718 /nfs/dbraw/zinc/10/17/18/564101718.db2.gz NVKHGDCRVOYPTE-UHFFFAOYSA-N 0 0 333.438 4.544 50 0 EJAARN Cc1nc2cc(-c3noc(-c4cccc(C(F)(F)F)c4)n3)ccc2o1 ZINC000065149640 564101749 /nfs/dbraw/zinc/10/17/49/564101749.db2.gz FKXLHRXPUMBSCA-UHFFFAOYSA-N 0 0 345.280 4.872 50 0 EJAARN COc1ccc(Cl)cc1-c1nc(-c2ccc3oc(C)nc3c2)no1 ZINC000065149563 564101777 /nfs/dbraw/zinc/10/17/77/564101777.db2.gz WSZOSFRMDIQJNX-UHFFFAOYSA-N 0 0 341.754 4.515 50 0 EJAARN CCc1nc2cc(-c3noc(Cc4ccccc4Cl)n3)ccc2o1 ZINC000065149750 564101788 /nfs/dbraw/zinc/10/17/88/564101788.db2.gz JGYDPJJYLKCWDY-UHFFFAOYSA-N 0 0 339.782 4.684 50 0 EJAARN COc1cc(Cl)ccc1-c1nc(-c2ccc3oc(C)nc3c2)no1 ZINC000065149653 564101805 /nfs/dbraw/zinc/10/18/05/564101805.db2.gz GWQHKDFIBVJRLE-UHFFFAOYSA-N 0 0 341.754 4.515 50 0 EJAARN Cc1ccc(NC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cc1 ZINC000006940781 564101928 /nfs/dbraw/zinc/10/19/28/564101928.db2.gz HECLHVPOESQOEF-UHFFFAOYSA-N 0 0 331.419 4.798 50 0 EJAARN COc1cccc(CC(=O)Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000006945252 564102014 /nfs/dbraw/zinc/10/20/14/564102014.db2.gz XZGGLPXLKBJHBH-UHFFFAOYSA-N 0 0 333.387 4.669 50 0 EJAARN O=C(NCc1cccc(Cl)c1)C(c1ccccc1)c1ccccc1 ZINC000006946642 564102020 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COC(=O)c1ccc2c(c1)CCCN2Cc1c(C)ccc2ccccc21 ZINC000089665983 564112992 /nfs/dbraw/zinc/11/29/92/564112992.db2.gz JIICUBCAAIAYBV-UHFFFAOYSA-N 0 0 345.442 4.888 50 0 EJAARN Cc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccncc4)=NN32)c1 ZINC000089669440 564113019 /nfs/dbraw/zinc/11/30/19/564113019.db2.gz HEGDFDINZGQFOO-UNMCSNQZSA-N 0 0 341.414 4.632 50 0 EJAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2ccc(Cl)cc2[nH]1 ZINC000089780911 564113689 /nfs/dbraw/zinc/11/36/89/564113689.db2.gz VWKGAXPXYMAQHA-UHFFFAOYSA-N 0 0 328.843 4.520 50 0 EJAARN Cc1ccc(SCC(=O)Nc2oncc2-c2ccc(C)cc2)cc1 ZINC000016841382 564113804 /nfs/dbraw/zinc/11/38/04/564113804.db2.gz JSNHLLBFBUBDSH-UHFFFAOYSA-N 0 0 338.432 4.689 50 0 EJAARN Cc1cccc(NC(=O)Cc2csc(Nc3ccc(F)cc3)n2)c1 ZINC000016850221 564113911 /nfs/dbraw/zinc/11/39/11/564113911.db2.gz KDYKNPZCRGCUIQ-UHFFFAOYSA-N 0 0 341.411 4.515 50 0 EJAARN c1nc(C2CCC2)sc1CNCc1csc(-c2ccccc2)n1 ZINC000089851355 564114406 /nfs/dbraw/zinc/11/44/06/564114406.db2.gz OUYLMNYWHOIIRN-UHFFFAOYSA-N 0 0 341.505 4.824 50 0 EJAARN CC(C)c1ccc([C@H]2CCCCN2c2cc(-n3ccnc3)ncn2)cc1 ZINC000089893394 564114842 /nfs/dbraw/zinc/11/48/42/564114842.db2.gz VSSUDDKRJJNTHV-LJQANCHMSA-N 0 0 347.466 4.517 50 0 EJAARN CC(=O)[C@H](C)CCCCC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000089895368 564114910 /nfs/dbraw/zinc/11/49/10/564114910.db2.gz QQUVDOAUSBRFKP-CVEARBPZSA-N 0 0 325.452 4.803 50 0 EJAARN CC(C)c1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)no1 ZINC000076060613 564115164 /nfs/dbraw/zinc/11/51/64/564115164.db2.gz DSIKTYGFCJNIHK-MNOVXSKESA-N 0 0 339.222 4.847 50 0 EJAARN CCCCC(=O)Nc1nn(CCCC)c2nc3cc(C)ccc3cc12 ZINC000017247616 564116749 /nfs/dbraw/zinc/11/67/49/564116749.db2.gz WMAKRMVNSPAJBM-UHFFFAOYSA-N 0 0 338.455 4.822 50 0 EJAARN CCOc1cc(-c2nc3ccccc3s2)cc(Cl)c1OC(C)=O ZINC000001058369 564116821 /nfs/dbraw/zinc/11/68/21/564116821.db2.gz WVWRCNRFUZLMCF-UHFFFAOYSA-N 0 0 347.823 4.941 50 0 EJAARN Cc1ccc(-c2cn3ccccc3n2)cc1NC(=O)c1ccccc1F ZINC000006703642 564117447 /nfs/dbraw/zinc/11/74/47/564117447.db2.gz ZGUUXVJYHDKPLZ-UHFFFAOYSA-N 0 0 345.377 4.701 50 0 EJAARN COc1cccc(CN(C)C(=S)Nc2ccc(C(C)C)cc2)c1 ZINC000007582199 564117886 /nfs/dbraw/zinc/11/78/86/564117886.db2.gz VABVZQYDSUQILN-UHFFFAOYSA-N 0 0 328.481 4.647 50 0 EJAARN CSc1ccc(Cl)c(C(=O)Nc2nc3ccccc3s2)c1 ZINC000014825977 564118058 /nfs/dbraw/zinc/11/80/58/564118058.db2.gz FLSNXPOBUNYUFX-UHFFFAOYSA-N 0 0 334.853 4.924 50 0 EJAARN Cc1cc(C2=Nn3cc(-c4ccccc4)nc3SC2)c(C)s1 ZINC000014901417 564118372 /nfs/dbraw/zinc/11/83/72/564118372.db2.gz FGBJRNJWXJYSGZ-UHFFFAOYSA-N 0 0 325.462 4.587 50 0 EJAARN COc1ccc(CCCC(=O)Nc2ccc3ccccc3c2)cc1OC ZINC000000122639 564118821 /nfs/dbraw/zinc/11/88/21/564118821.db2.gz RFHOXTWWHVRIKG-UHFFFAOYSA-N 0 0 349.430 4.818 50 0 EJAARN O=C([C@@H]1CCCC(F)(F)C1)N(Cc1ccccn1)c1ccc(F)cc1 ZINC000252491925 564119575 /nfs/dbraw/zinc/11/95/75/564119575.db2.gz LZRCUIYHRMXVLN-CQSZACIVSA-N 0 0 348.368 4.579 50 0 EJAARN Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)c1ccoc1C1CC1 ZINC000252498205 564119706 /nfs/dbraw/zinc/11/97/06/564119706.db2.gz QWSIXKSPSUIUTQ-UHFFFAOYSA-N 0 0 349.390 4.645 50 0 EJAARN Cc1ccc(Oc2ccc(N[C@@H]3CCc4ccc(F)cc43)cc2)nn1 ZINC000170651604 564120494 /nfs/dbraw/zinc/12/04/94/564120494.db2.gz YDSULEVQZUVURV-LJQANCHMSA-N 0 0 335.382 4.816 50 0 EJAARN CCC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000005428278 564120580 /nfs/dbraw/zinc/12/05/80/564120580.db2.gz PDMMFKSKQVNJMI-GLRKZIRRSA-N 0 0 344.495 4.840 50 0 biogenic EJAARN CCCCCCOc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1 ZINC000002186784 564120682 /nfs/dbraw/zinc/12/06/82/564120682.db2.gz DOFDVZLMEQKJKU-CAPFRKAQSA-N 0 0 349.430 4.990 50 0 EJAARN O=S(=O)(NCCC1=CCCCC1)c1ccc(C2CCCCC2)cc1 ZINC000007616213 564121005 /nfs/dbraw/zinc/12/10/05/564121005.db2.gz NKTLPEJAJFQKNT-UHFFFAOYSA-N 0 0 347.524 4.903 50 0 EJAARN CCc1cccc(CC)c1NC(=O)CN1c2ccccc2CC[C@@H]1C ZINC000007619145 564121123 /nfs/dbraw/zinc/12/11/23/564121123.db2.gz CHKXRJGBUKEQDT-INIZCTEOSA-N 0 0 336.479 4.591 50 0 EJAARN COc1ccc(CN(Cc2cc(-c3cccs3)on2)C2CC2)cc1 ZINC000007662290 564121706 /nfs/dbraw/zinc/12/17/06/564121706.db2.gz GTGUEQZIWYLKTB-UHFFFAOYSA-N 0 0 340.448 4.576 50 0 EJAARN CO[C@H](C)c1cccc(NC(=O)c2cc3ccc(F)cc3nc2C)c1 ZINC000170728988 564122038 /nfs/dbraw/zinc/12/20/38/564122038.db2.gz HCLACDMHXFMNRZ-CYBMUJFWSA-N 0 0 338.382 4.642 50 0 EJAARN O=C(CCc1c[nH]c2ccccc12)Nc1ccc(OC(F)(F)F)cc1 ZINC000007698960 564122046 /nfs/dbraw/zinc/12/20/46/564122046.db2.gz SELKRZGKWCFORY-UHFFFAOYSA-N 0 0 348.324 4.638 50 0 EJAARN O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1cc2ccccc2o1 ZINC000007725388 564122287 /nfs/dbraw/zinc/12/22/87/564122287.db2.gz HZWCDIJXMXFCMT-UHFFFAOYSA-N 0 0 345.402 4.761 50 0 EJAARN CCC(=O)c1ccc(Oc2nc3cc(C)nn3c3ccccc32)cc1 ZINC000007737819 564122544 /nfs/dbraw/zinc/12/25/44/564122544.db2.gz XMYMYLBSUISEMD-UHFFFAOYSA-N 0 0 331.375 4.576 50 0 EJAARN Cc1ccc(Nc2nc(CN3CCc4ccccc4C3)cs2)cc1 ZINC000007779973 564123098 /nfs/dbraw/zinc/12/30/98/564123098.db2.gz GHQAQDQVTZZQNE-UHFFFAOYSA-N 0 0 335.476 4.753 50 0 EJAARN c1ccc(-c2nnc(Sc3ncnc4c5ccccc5oc43)o2)cc1 ZINC000007780249 564123110 /nfs/dbraw/zinc/12/31/10/564123110.db2.gz KCOLPHVIOCTRSS-UHFFFAOYSA-N 0 0 346.371 4.577 50 0 EJAARN C[C@@H](C(=O)c1c[nH]c2ccccc12)N(Cc1ccc(F)cc1)C1CC1 ZINC000007789337 564123331 /nfs/dbraw/zinc/12/33/31/564123331.db2.gz ZRRICFKWJMVWTR-AWEZNQCLSA-N 0 0 336.410 4.543 50 0 EJAARN CCn1c(SCc2ccccc2C)nnc1-c1ccccc1F ZINC000002215977 564123383 /nfs/dbraw/zinc/12/33/83/564123383.db2.gz SDCDSSUZOREOCU-UHFFFAOYSA-N 0 0 327.428 4.705 50 0 EJAARN C[S@@](=O)Cc1cc(NCc2cc3ccccc3o2)ccc1Cl ZINC000195559023 564123834 /nfs/dbraw/zinc/12/38/34/564123834.db2.gz YIYZLZCFYVFYRL-JOCHJYFZSA-N 0 0 333.840 4.577 50 0 EJAARN CNc1nc(-c2cc(C)n(CCc3ccc(OC)cc3)c2C)cs1 ZINC000007844448 564124179 /nfs/dbraw/zinc/12/41/79/564124179.db2.gz JDTQPYXZXNAAPR-UHFFFAOYSA-N 0 0 341.480 4.521 50 0 EJAARN O=C1c2ccccc2N[C@@H](c2cccc(Cl)c2Cl)N1C1CC1 ZINC000007885965 564124414 /nfs/dbraw/zinc/12/44/14/564124414.db2.gz DNBWFXRTTXVSJM-MRXNPFEDSA-N 0 0 333.218 4.722 50 0 EJAARN CCOc1ccccc1COc1ccccc1C(=O)Nc1ccccc1 ZINC000007896167 564124759 /nfs/dbraw/zinc/12/47/59/564124759.db2.gz PEYNTZZITPEEAN-UHFFFAOYSA-N 0 0 347.414 4.917 50 0 EJAARN CC[C@]1(C(=O)N[C@H](C)c2ccc(Cl)cc2)[C@H](C)C1(Cl)Cl ZINC000001532060 564125003 /nfs/dbraw/zinc/12/50/03/564125003.db2.gz RXDMAYSSBPYBFW-ISTVAULSSA-N 0 0 334.674 4.737 50 0 in-vitro EJAARN C[C@@H](c1nnc(-c2cccs2)o1)N1CCC[C@@H]1c1cccs1 ZINC000007918066 564125169 /nfs/dbraw/zinc/12/51/69/564125169.db2.gz MBNJTGXWKFACMX-NWDGAFQWSA-N 0 0 331.466 4.758 50 0 EJAARN Fc1cccc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)c1 ZINC000002251626 564125323 /nfs/dbraw/zinc/12/53/23/564125323.db2.gz SMFSEZWVBHZJHA-UHFFFAOYSA-N 0 0 340.361 4.775 50 0 EJAARN Cc1ccc(Cl)cc1NC(=S)NCCSc1ccccc1 ZINC000007926556 564125526 /nfs/dbraw/zinc/12/55/26/564125526.db2.gz IAKPEQFDQHKKQT-UHFFFAOYSA-N 0 0 336.913 4.727 50 0 EJAARN CCC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004015077 564128935 /nfs/dbraw/zinc/12/89/35/564128935.db2.gz XTAARPJDFFXHGH-XANOBKEWSA-N 0 0 346.511 4.920 50 0 biogenic EJAARN C[C@@H](O)CCCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21 ZINC000095705018 564129483 /nfs/dbraw/zinc/12/94/83/564129483.db2.gz YHFHYHZNLCEAAP-CQSZACIVSA-N 0 0 327.468 4.667 50 0 in-vitro EJAARN CC(C)c1occc1C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000253429683 564131294 /nfs/dbraw/zinc/13/12/94/564131294.db2.gz IBNCPFLYFAEUCI-UHFFFAOYSA-N 0 0 337.379 4.583 50 0 EJAARN CCC[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NC(C)C ZINC000002326528 564132355 /nfs/dbraw/zinc/13/23/55/564132355.db2.gz RIPALYDKMCHMGD-OVESXRPUSA-N 0 0 333.475 4.835 50 0 EJAARN CCCCn1nc(NC(=O)C(C)(C)C)c2cc3cccc(C)c3nc21 ZINC000002401532 564134568 /nfs/dbraw/zinc/13/45/68/564134568.db2.gz BDRUNOOROGIUDI-UHFFFAOYSA-N 0 0 338.455 4.678 50 0 EJAARN Cc1ccc([C@H]2CC(=O)c3cnc(Nc4cccc(C)c4)nc3C2)cc1 ZINC000002416238 564134781 /nfs/dbraw/zinc/13/47/81/564134781.db2.gz RJJWJUMQGUCRHF-QGZVFWFLSA-N 0 0 343.430 4.750 50 0 EJAARN O=C(c1ccccc1F)N1CCc2sccc2[C@H]1c1cccs1 ZINC000007947896 564135534 /nfs/dbraw/zinc/13/55/34/564135534.db2.gz KGUZZUMFFDAPQJ-KRWDZBQOSA-N 0 0 343.448 4.737 50 0 EJAARN O=C1CCCN1c1ccc(-c2csc(-c3ccc(F)cc3)n2)cc1 ZINC000012848048 564135655 /nfs/dbraw/zinc/13/56/55/564135655.db2.gz GVVCIDMHHXHHKP-UHFFFAOYSA-N 0 0 338.407 4.743 50 0 EJAARN Cc1cc(OCC(=O)N[C@@H]2CCCC[C@@H]2C)c(C(C)C)cc1Cl ZINC000013062804 564135931 /nfs/dbraw/zinc/13/59/31/564135931.db2.gz FUVRSPZLXVQVES-SUMWQHHRSA-N 0 0 337.891 4.846 50 0 EJAARN CCCCC(=O)Nc1ccc(C2(C(=O)NCCC)CCCCC2)cc1 ZINC000013350527 564136248 /nfs/dbraw/zinc/13/62/48/564136248.db2.gz GVKQHAJULNRMBE-UHFFFAOYSA-N 0 0 344.499 4.543 50 0 EJAARN CCc1ccc(NC(=O)Nc2c(C3=CCCCC3)c(C)nn2C)cc1 ZINC000013365618 564136296 /nfs/dbraw/zinc/13/62/96/564136296.db2.gz ZUPBJRUWQJJYOK-UHFFFAOYSA-N 0 0 338.455 4.892 50 0 EJAARN O=C(NCc1ccc(F)cc1)c1sc2cc(F)ccc2c1Cl ZINC000007956491 564136435 /nfs/dbraw/zinc/13/64/35/564136435.db2.gz UEDBEZHVPCHKEU-UHFFFAOYSA-N 0 0 337.778 4.763 50 0 EJAARN O=C(c1cc2c(s1)CCCCCC2)N1CCC(n2cccc2)CC1 ZINC000078716861 564136909 /nfs/dbraw/zinc/13/69/09/564136909.db2.gz QEJXGMUXQQIPCF-UHFFFAOYSA-N 0 0 342.508 4.686 50 0 EJAARN c1nc(CNc2nc(C3CC3)nc3scc(-c4ccccc4)c32)c[nH]1 ZINC000079063887 564137775 /nfs/dbraw/zinc/13/77/75/564137775.db2.gz NHWZGCJLFMHUEX-UHFFFAOYSA-N 0 0 347.447 4.571 50 0 EJAARN O=C(CCc1cccc(F)c1)N1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC000079103435 564137919 /nfs/dbraw/zinc/13/79/19/564137919.db2.gz IDKSESRUUSBINI-UGKGYDQZSA-N 0 0 337.438 4.686 50 0 EJAARN O=C(/C=C/c1cccs1)NCc1nc(C2CCCCC2)cs1 ZINC000390831383 564138669 /nfs/dbraw/zinc/13/86/69/564138669.db2.gz RNONZRCHSSGOKB-CMDGGOBGSA-N 0 0 332.494 4.582 50 0 EJAARN C[C@H](N[C@@H]1CCCOc2c3ccccc3ccc21)c1nc(C2CC2)no1 ZINC000095409401 564139632 /nfs/dbraw/zinc/13/96/32/564139632.db2.gz CXGLIZXCGFGMOC-SCLBCKFNSA-N 0 0 349.434 4.665 50 0 EJAARN C[C@@H](C(=O)Nc1ccc(C(F)(F)F)nc1)c1cc2ccccc2o1 ZINC000095445727 564140550 /nfs/dbraw/zinc/14/05/50/564140550.db2.gz PJNUWCKWMZKMBP-SNVBAGLBSA-N 0 0 334.297 4.589 50 0 EJAARN Cc1ccc([C@H](C)NC(=O)[C@H](C)Sc2nc3ccccc3s2)o1 ZINC000095447716 564140585 /nfs/dbraw/zinc/14/05/85/564140585.db2.gz YQYHITCCIHLCCY-RYUDHWBXSA-N 0 0 346.477 4.556 50 0 EJAARN CCCn1c2ccccc2nc1CN1CCCCC[C@@H]1c1ccncc1 ZINC000095453818 564140658 /nfs/dbraw/zinc/14/06/58/564140658.db2.gz COXLPAPOEZUSPY-HXUWFJFHSA-N 0 0 348.494 4.959 50 0 EJAARN O=C(Cc1c(F)cccc1Cl)Nc1ncccc1-c1ccccc1 ZINC000095458289 564140664 /nfs/dbraw/zinc/14/06/64/564140664.db2.gz ONMYRFZLPFIXKN-UHFFFAOYSA-N 0 0 340.785 4.722 50 0 EJAARN CC[C@@H](C)n1nc(NC(=O)Cc2ccc(Cl)cc2Cl)cc1C ZINC000095463236 564140872 /nfs/dbraw/zinc/14/08/72/564140872.db2.gz PWFBCVGEALUEAA-SNVBAGLBSA-N 0 0 340.254 4.651 50 0 EJAARN c1ccc(Cc2nc(CN[C@H](c3ccccc3)C3CCCC3)no2)cc1 ZINC000095957584 564142585 /nfs/dbraw/zinc/14/25/85/564142585.db2.gz UETFPEINFUYVSB-JOCHJYFZSA-N 0 0 347.462 4.682 50 0 EJAARN CCO[C@H](C)c1nc(CN[C@]2(C)CCCc3ccccc32)cs1 ZINC000095960509 564142696 /nfs/dbraw/zinc/14/26/96/564142696.db2.gz DBEZIRXABCBRRX-AUUYWEPGSA-N 0 0 330.497 4.582 50 0 EJAARN COc1ccccc1[C@@H](C)N(C)C(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000095964094 564142846 /nfs/dbraw/zinc/14/28/46/564142846.db2.gz QIXFDTLMTNBCRE-NWDGAFQWSA-N 0 0 337.872 4.733 50 0 EJAARN COc1ccccc1[C@H](C)N(C)C(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000095964093 564142847 /nfs/dbraw/zinc/14/28/47/564142847.db2.gz QIXFDTLMTNBCRE-RYUDHWBXSA-N 0 0 337.872 4.733 50 0 EJAARN Cc1noc(C)c1[C@@H](C)N[C@@H](C)c1cc(Br)ccc1F ZINC000095967999 564143165 /nfs/dbraw/zinc/14/31/65/564143165.db2.gz WIZGCFOFHBHWJT-DTWKUNHWSA-N 0 0 341.224 4.605 50 0 EJAARN CN(C)N1C[C@@](Cc2ccccc2)(c2ccccc2)c2ccccc21 ZINC000096027317 564145024 /nfs/dbraw/zinc/14/50/24/564145024.db2.gz QDWTUUZBMWKFAT-QHCPKHFHSA-N 0 0 328.459 4.512 50 0 EJAARN CSc1ccc(/C=C/C(=O)N2CCC(c3ccsc3)CC2)cc1 ZINC000096120617 564145565 /nfs/dbraw/zinc/14/55/65/564145565.db2.gz YADPQEIRLCJBGW-QPJJXVBHSA-N 0 0 343.517 4.889 50 0 EJAARN O=C(Cn1ccc2ccccc21)NCc1ccccc1-c1ccsc1 ZINC000096122928 564145644 /nfs/dbraw/zinc/14/56/44/564145644.db2.gz BGKKESZQIJVCSQ-UHFFFAOYSA-N 0 0 346.455 4.686 50 0 EJAARN O=C(NCc1ccccc1-c1ccsc1)c1cccc(Cl)c1 ZINC000096122935 564145659 /nfs/dbraw/zinc/14/56/59/564145659.db2.gz VNRYHYOBJCFFSR-UHFFFAOYSA-N 0 0 327.836 4.999 50 0 EJAARN O=C(c1ccco1)c1coc2ccc(OCc3cccc(F)c3)cc12 ZINC000096184249 564145891 /nfs/dbraw/zinc/14/58/91/564145891.db2.gz PSLMCOPFRYSGQG-UHFFFAOYSA-N 0 0 336.318 4.975 50 0 EJAARN CCN(C(=O)/C=C(\C)C1CC1)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000096190155 564145926 /nfs/dbraw/zinc/14/59/26/564145926.db2.gz RMWAVGQKBKQYRK-UACNQURRSA-N 0 0 338.426 4.515 50 0 EJAARN O=C(NCCC1=CCCCC1)c1cccc2c1-c1ccccc1C2=O ZINC000096191929 564145954 /nfs/dbraw/zinc/14/59/54/564145954.db2.gz QGWWDLUAXPYZAO-UHFFFAOYSA-N 0 0 331.415 4.518 50 0 EJAARN Cc1cc(=O)oc2c1ccc1c2[C@H](c2ccc(C(C)C)cc2)CC(=O)O1 ZINC000096221736 564146010 /nfs/dbraw/zinc/14/60/10/564146010.db2.gz AWOIXPBHMYXUGE-KRWDZBQOSA-N 0 0 348.398 4.666 50 0 biogenic EJAARN Cc1ccc(Cl)cc1NC(=O)N1Cc2cccn2-c2ccccc21 ZINC000021533944 564146138 /nfs/dbraw/zinc/14/61/38/564146138.db2.gz FOMDDHNMUXADRA-UHFFFAOYSA-N 0 0 337.810 4.991 50 0 EJAARN CC[C@H](C)[C@H](NC(=O)CC(C)C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096278068 564146302 /nfs/dbraw/zinc/14/63/02/564146302.db2.gz OPLXJKGSPXVGSR-LRDDRELGSA-N 0 0 349.862 4.640 50 0 EJAARN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)c1nc(-c2ccc(C)cc2)no1 ZINC000096279010 564146330 /nfs/dbraw/zinc/14/63/30/564146330.db2.gz QIBBYOKJMCLEHY-CRAIPNDOSA-N 0 0 349.434 4.562 50 0 EJAARN Cc1[nH]nc(-c2cccc(Cl)c2)c1NC(=O)c1cc(F)cc(F)c1 ZINC000096281960 564146364 /nfs/dbraw/zinc/14/63/64/564146364.db2.gz RPGFBYREFNUBQP-UHFFFAOYSA-N 0 0 347.752 4.569 50 0 EJAARN CC[C@@H](C)[C@H](NC(=O)CC(C)(C)C)c1nc(-c2cccc(C)c2)no1 ZINC000096294208 564146524 /nfs/dbraw/zinc/14/65/24/564146524.db2.gz MGLSFBCXBRPPIO-PBHICJAKSA-N 0 0 343.471 4.685 50 0 EJAARN c1csc(CCNc2ncccc2-c2nnc(-c3ccccc3)o2)c1 ZINC000096338989 564146806 /nfs/dbraw/zinc/14/68/06/564146806.db2.gz SHPFTVPOABKURO-UHFFFAOYSA-N 0 0 348.431 4.515 50 0 EJAARN O=C(CCC1CCCCC1)Nc1nc(-c2ccc(F)cc2)ns1 ZINC000096346114 564146837 /nfs/dbraw/zinc/14/68/37/564146837.db2.gz NCJOCGPQNALIEY-UHFFFAOYSA-N 0 0 333.432 4.643 50 0 EJAARN O=C(/C=C\c1cccnc1)Nc1cccc(C2SCCCS2)c1 ZINC000096400644 564147046 /nfs/dbraw/zinc/14/70/46/564147046.db2.gz JYMGZSKRZURDSU-FPLPWBNLSA-N 0 0 342.489 4.602 50 0 EJAARN CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000096418043 564147867 /nfs/dbraw/zinc/14/78/67/564147867.db2.gz JRWNWMOSDHVJGI-BEFAXECRSA-N 0 0 341.455 4.794 50 0 EJAARN CCCc1ccc([C@H](NCc2csc(NC(C)=O)n2)C(C)C)cc1 ZINC000096955887 564149058 /nfs/dbraw/zinc/14/90/58/564149058.db2.gz JUQXMNZSMHFGGY-GOSISDBHSA-N 0 0 345.512 4.541 50 0 EJAARN CO[C@H](C)c1cccc(NCc2nc(-c3cccc(Cl)c3)no2)c1 ZINC000225535915 564149628 /nfs/dbraw/zinc/14/96/28/564149628.db2.gz SCBKZVUCESXWNZ-GFCCVEGCSA-N 0 0 343.814 4.710 50 0 EJAARN CC(C)c1ccc([C@H]2C[C@@H](c3ccc(F)cc3)Nc3ncnn32)cc1 ZINC000002471988 564149718 /nfs/dbraw/zinc/14/97/18/564149718.db2.gz PYQQBSKZBKYLCT-RBUKOAKNSA-N 0 0 336.414 4.687 50 0 EJAARN Cc1ccc([C@H]2C[C@@H](c3ccc(C(C)C)cc3)Nc3ncnn32)cc1 ZINC000002500084 564149969 /nfs/dbraw/zinc/14/99/69/564149969.db2.gz VURWMRDUQVGSOW-VQTJNVASSA-N 0 0 332.451 4.856 50 0 EJAARN CC(C)CCNC(=O)c1oc2ccccc2c1COc1ccccc1 ZINC000002619796 564151199 /nfs/dbraw/zinc/15/11/99/564151199.db2.gz RWTMJNBEHXIDAY-UHFFFAOYSA-N 0 0 337.419 4.788 50 0 EJAARN CCC(CC)c1nnc(NC(=O)c2cc(F)c(F)cc2Cl)s1 ZINC000002626769 564151346 /nfs/dbraw/zinc/15/13/46/564151346.db2.gz ZLUQQVNDZNXJNU-UHFFFAOYSA-N 0 0 345.802 4.626 50 0 EJAARN O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1ccncc1 ZINC000002628374 564151396 /nfs/dbraw/zinc/15/13/96/564151396.db2.gz YWWPGHMDHMFQFI-UHFFFAOYSA-N 0 0 347.399 4.736 50 0 EJAARN Cc1cc(C(=O)Nc2nc3c(cccc3C)s2)c2ccccc2n1 ZINC000002646040 564151785 /nfs/dbraw/zinc/15/17/85/564151785.db2.gz JNUNZVYOZPKVEA-UHFFFAOYSA-N 0 0 333.416 4.714 50 0 EJAARN CCC(=O)Nc1ccc(C(=O)CSCc2ccc(Cl)cc2)cc1 ZINC000002658708 564152043 /nfs/dbraw/zinc/15/20/43/564152043.db2.gz NHEWIDXAFAKJFC-UHFFFAOYSA-N 0 0 347.867 4.805 50 0 EJAARN CCOC(=O)c1c(C2CC2)csc1NC(=O)Nc1cccc(C)c1 ZINC000002663405 564152069 /nfs/dbraw/zinc/15/20/69/564152069.db2.gz MXVPTRUFGZFWDC-UHFFFAOYSA-N 0 0 344.436 4.755 50 0 EJAARN CCC(=O)NCCSc1c2ccccc2[nH]c1-c1ccc(C)cc1 ZINC000002721205 564152234 /nfs/dbraw/zinc/15/22/34/564152234.db2.gz UGHRKFJFDVAMKI-UHFFFAOYSA-N 0 0 338.476 4.762 50 0 EJAARN CCCCCC[C@]1(CC)NC(=S)N(c2ccc(Cl)cc2)N1 ZINC000002776219 564152566 /nfs/dbraw/zinc/15/25/66/564152566.db2.gz ICNVXUYBYAAWAP-MRXNPFEDSA-N 0 0 325.909 4.616 50 0 EJAARN Cc1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 ZINC000002783390 564152606 /nfs/dbraw/zinc/15/26/06/564152606.db2.gz JIZFPFIDCXNZOD-RYUDHWBXSA-N 0 0 349.278 4.626 50 0 EJAARN COC(=O)c1c(-c2ccco2)csc1NC(=O)CCC1CCCC1 ZINC000002821400 564152829 /nfs/dbraw/zinc/15/28/29/564152829.db2.gz AWJADGBBLODCJR-UHFFFAOYSA-N 0 0 347.436 4.704 50 0 EJAARN Cc1ccc(C(=O)CSc2ncnc3sc(C)c(C)c32)s1 ZINC000002886873 564152925 /nfs/dbraw/zinc/15/29/25/564152925.db2.gz AGJJJTFLXYRZNQ-UHFFFAOYSA-N 0 0 334.491 4.653 50 0 EJAARN O=C(Nc1cccc(Cl)c1)[C@@H]1[C@@H](c2ccccc2)C1(Cl)Cl ZINC000002907039 564152974 /nfs/dbraw/zinc/15/29/74/564152974.db2.gz YYQHBZPYYSOYHE-KGLIPLIRSA-N 0 0 340.637 4.866 50 0 EJAARN C[C@@H]1CCC[C@@H](NC(=O)CCSCc2ccc(Cl)cc2)[C@H]1C ZINC000002944129 564153176 /nfs/dbraw/zinc/15/31/76/564153176.db2.gz REVIGAMHFTYXHP-JKIFEVAISA-N 0 0 339.932 4.904 50 0 EJAARN C[C@H]1CCCN(C(=O)/C(=C/c2ccc(F)cc2)c2cccs2)C1 ZINC000029509602 564153648 /nfs/dbraw/zinc/15/36/48/564153648.db2.gz JKNHLYVHKVILGP-IQGJIOQQSA-N 0 0 329.440 4.686 50 0 EJAARN COc1ccc(C(=O)Oc2ccc(-c3ccc(C)cc3)cc2)cc1OC ZINC000002951046 564153732 /nfs/dbraw/zinc/15/37/32/564153732.db2.gz MUFIFFDLANUBMN-UHFFFAOYSA-N 0 0 348.398 4.898 50 0 EJAARN Cc1cccc(Cl)c1NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000057412136 564154020 /nfs/dbraw/zinc/15/40/20/564154020.db2.gz OTHURBAKGZCRPM-UHFFFAOYSA-N 0 0 346.217 4.944 50 0 EJAARN Cc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)cc1Cl ZINC000057412675 564154120 /nfs/dbraw/zinc/15/41/20/564154120.db2.gz PBAUATTUDDSYLH-UHFFFAOYSA-N 0 0 346.217 4.944 50 0 EJAARN Cc1cc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)ccc1Cl ZINC000057412705 564154138 /nfs/dbraw/zinc/15/41/38/564154138.db2.gz KDCARWKNMINUDO-UHFFFAOYSA-N 0 0 346.217 4.944 50 0 EJAARN CCOc1ccc(-c2cc3c(SCC(C)C)nccn3n2)cc1 ZINC000057510859 564154666 /nfs/dbraw/zinc/15/46/66/564154666.db2.gz YKIMDRZTRMZRTM-UHFFFAOYSA-N 0 0 327.453 4.543 50 0 EJAARN O=C(NCCSc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000003050329 564154732 /nfs/dbraw/zinc/15/47/32/564154732.db2.gz KSEFCWSAWGBMMN-UHFFFAOYSA-N 0 0 326.248 4.516 50 0 EJAARN O=C1/C(=C\c2ccccc2)N=C(c2ccccc2)N1Cc1ccccc1 ZINC000003082509 564155045 /nfs/dbraw/zinc/15/50/45/564155045.db2.gz RLDJPVOPEYBWFF-LTGZKZEYSA-N 0 0 338.410 4.517 50 0 EJAARN CSCc1cc(Sc2cccc(C(F)(F)F)c2)nc(C)n1 ZINC000003105272 564155190 /nfs/dbraw/zinc/15/51/90/564155190.db2.gz RGMRGSPJFWUHSP-UHFFFAOYSA-N 0 0 330.400 4.818 50 0 EJAARN Cc1cc(C)n(CC(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)n1 ZINC000057657097 564155344 /nfs/dbraw/zinc/15/53/44/564155344.db2.gz YDALJVUWZNANTC-UHFFFAOYSA-N 0 0 345.402 4.552 50 0 EJAARN C[C@@H](NC(=S)NCc1cccs1)c1cccc2ccccc21 ZINC000057767256 564155717 /nfs/dbraw/zinc/15/57/17/564155717.db2.gz BXMSPGAIHINKME-CYBMUJFWSA-N 0 0 326.490 4.627 50 0 EJAARN CCc1cccc(CC)c1NC(=S)N[C@@H]1CCc2ccccc2C1 ZINC000057769436 564155752 /nfs/dbraw/zinc/15/57/52/564155752.db2.gz CZIIJYJLDXEMQO-LJQANCHMSA-N 0 0 338.520 4.655 50 0 EJAARN CN(C(=O)CNc1ccccc1Sc1ccccc1)c1ccccc1 ZINC000057815886 564155912 /nfs/dbraw/zinc/15/59/12/564155912.db2.gz RXNNHTMFKNXXTB-UHFFFAOYSA-N 0 0 348.471 4.913 50 0 EJAARN CCCCCOc1ccc([C@@H](C)NC(=O)c2occc2C)cc1OC ZINC000057831988 564156064 /nfs/dbraw/zinc/15/60/64/564156064.db2.gz LQPXWTQKLFZRHA-OAHLLOKOSA-N 0 0 345.439 4.657 50 0 EJAARN Cc1cccc(Nc2nnc(SCC(=O)c3cccs3)s2)c1 ZINC000003222370 564156195 /nfs/dbraw/zinc/15/61/95/564156195.db2.gz QARSNFHGGFGZEM-UHFFFAOYSA-N 0 0 347.490 4.627 50 0 EJAARN O=C(CSc1nc2ccccc2s1)NC1CCCCCCC1 ZINC000003221740 564156206 /nfs/dbraw/zinc/15/62/06/564156206.db2.gz CTBYUYLLQJIZND-UHFFFAOYSA-N 0 0 334.510 4.618 50 0 EJAARN COc1ccc(NC(=O)CSc2cc(C)ccc2C)cc1Cl ZINC000003235942 564156403 /nfs/dbraw/zinc/15/64/03/564156403.db2.gz XFGFSERYBSDBAB-UHFFFAOYSA-N 0 0 335.856 4.696 50 0 EJAARN CC(=O)c1ccc(OCC(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000003264043 564156761 /nfs/dbraw/zinc/15/67/61/564156761.db2.gz WVVBHZXEONWIQF-UHFFFAOYSA-N 0 0 345.398 4.574 50 0 EJAARN O=C(CC(c1ccccc1)c1ccccc1)NCc1ccccc1F ZINC000003282371 564156942 /nfs/dbraw/zinc/15/69/42/564156942.db2.gz JNEMWWQMAGIBJP-UHFFFAOYSA-N 0 0 333.406 4.664 50 0 EJAARN Cc1ccsc1C(=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000003284575 564156965 /nfs/dbraw/zinc/15/69/65/564156965.db2.gz JYJOWTRZZGLVJY-UHFFFAOYSA-N 0 0 340.375 4.646 50 0 EJAARN Cc1ccc(C(=O)COc2ccc(C(=O)c3ccccc3)cc2)c(C)c1 ZINC000003285451 564156976 /nfs/dbraw/zinc/15/69/76/564156976.db2.gz HTTXSOBHXMTMSO-UHFFFAOYSA-N 0 0 344.410 4.796 50 0 EJAARN Cc1cc(-c2csc(-c3ccccn3)n2)c(C)n1Cc1ccco1 ZINC000003330336 564157405 /nfs/dbraw/zinc/15/74/05/564157405.db2.gz ZULINHRCBIGEHC-UHFFFAOYSA-N 0 0 335.432 4.932 50 0 EJAARN CSCc1c2ccccc2oc1C(=O)N1CCCc2ccccc21 ZINC000003336294 564157422 /nfs/dbraw/zinc/15/74/22/564157422.db2.gz VMSSSLDSZWWBGA-UHFFFAOYSA-N 0 0 337.444 4.889 50 0 EJAARN C[C@H]1CCc2[nH]c3ccc(C(=O)N(C)Cc4cccs4)cc3c2C1 ZINC000003351255 564157611 /nfs/dbraw/zinc/15/76/11/564157611.db2.gz JIIAJWXEGZUDNK-ZDUSSCGKSA-N 0 0 338.476 4.626 50 0 EJAARN Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3F)o2)cc1 ZINC000030811865 564157784 /nfs/dbraw/zinc/15/77/84/564157784.db2.gz RLJGTXLQRUVSAD-UHFFFAOYSA-N 0 0 343.329 4.698 50 0 EJAARN Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)c(F)c3)o2)cc1 ZINC000030812156 564157795 /nfs/dbraw/zinc/15/77/95/564157795.db2.gz FXGVJGRVYKBPGR-UHFFFAOYSA-N 0 0 343.329 4.698 50 0 EJAARN Brc1ccccc1-c1nnc(CSc2ccccc2)o1 ZINC000003383238 564157828 /nfs/dbraw/zinc/15/78/28/564157828.db2.gz QYAYXAKHTLFCHE-UHFFFAOYSA-N 0 0 347.237 4.791 50 0 EJAARN Cc1cccc(NC(=S)NCCc2ccc(C(F)(F)F)cc2)c1 ZINC000003388584 564157840 /nfs/dbraw/zinc/15/78/40/564157840.db2.gz NEZOVAPDEPNDGO-UHFFFAOYSA-N 0 0 338.398 4.543 50 0 EJAARN CCCN(C(=O)Nc1ccc(F)cc1F)[C@H]1CCc2ccccc21 ZINC000058157395 564157856 /nfs/dbraw/zinc/15/78/56/564157856.db2.gz DDIYOGYDGPDELD-SFHVURJKSA-N 0 0 330.378 4.896 50 0 EJAARN CCc1ccccc1NCC(=O)Nc1ccccc1Cc1ccccc1 ZINC000003388857 564157862 /nfs/dbraw/zinc/15/78/62/564157862.db2.gz QIFAQCMVOGFYEM-UHFFFAOYSA-N 0 0 344.458 4.890 50 0 EJAARN Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(Cl)cc1F ZINC000003402967 564157962 /nfs/dbraw/zinc/15/79/62/564157962.db2.gz GQXHTWHGBKUOHP-UHFFFAOYSA-N 0 0 330.746 4.695 50 0 EJAARN Cc1ccc(OCc2ccc(C(=O)Nc3ccc(C)c(F)c3)o2)cc1 ZINC000030869395 564158006 /nfs/dbraw/zinc/15/80/06/564158006.db2.gz URHNZIBLRAPBEL-UHFFFAOYSA-N 0 0 339.366 4.867 50 0 EJAARN C[C@@H]1CCCN(CC(=O)N2c3ccccc3Sc3ccccc32)C1 ZINC000003456292 564158225 /nfs/dbraw/zinc/15/82/25/564158225.db2.gz RQSGIUPWCLBWNG-OAHLLOKOSA-N 0 0 338.476 4.548 50 0 EJAARN O=C(c1csc(-c2ccsc2)n1)N1CCC[C@@H]1c1ccccc1 ZINC000030978400 564158255 /nfs/dbraw/zinc/15/82/55/564158255.db2.gz HIXMLDXJAGBJLW-MRXNPFEDSA-N 0 0 340.473 4.849 50 0 EJAARN O=C(COc1ccc2ccccc2c1)N1CC=C(c2ccccc2)CC1 ZINC000003491203 564158423 /nfs/dbraw/zinc/15/84/23/564158423.db2.gz USNJGKNPTPYNLK-UHFFFAOYSA-N 0 0 343.426 4.535 50 0 EJAARN Cc1ccc(C(=O)CCC(=O)Nc2ccc(C)c3ncccc23)cc1C ZINC000031083796 564158725 /nfs/dbraw/zinc/15/87/25/564158725.db2.gz BVCVEKNLIVYCAV-UHFFFAOYSA-N 0 0 346.430 4.762 50 0 EJAARN COCCn1c(C)cc(-c2csc(Nc3ccccc3)n2)c1C ZINC000003532450 564158795 /nfs/dbraw/zinc/15/87/95/564158795.db2.gz ATCGKJONXNFVPG-UHFFFAOYSA-N 0 0 327.453 4.618 50 0 EJAARN Cc1noc(C)c1N(Cc1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000058416310 564159047 /nfs/dbraw/zinc/15/90/47/564159047.db2.gz IAVXOSOQDGYZAV-UHFFFAOYSA-N 0 0 328.362 4.776 50 0 EJAARN Cc1ccc(C(=O)CSc2nc3ccccc3n2C(F)F)s1 ZINC000031782004 564159820 /nfs/dbraw/zinc/15/98/20/564159820.db2.gz PSMVDMQJRNJJOC-UHFFFAOYSA-N 0 0 338.404 4.776 50 0 EJAARN Cc1nc2cc(F)ccc2cc1C(=O)N1CC[C@@H](C)c2ccccc21 ZINC000031781627 564159837 /nfs/dbraw/zinc/15/98/37/564159837.db2.gz AJZOCKJFRKOMEO-CYBMUJFWSA-N 0 0 334.394 4.836 50 0 EJAARN CSc1ncccc1C(=O)N[C@@H](c1cccs1)C1CCCC1 ZINC000031806112 564159883 /nfs/dbraw/zinc/15/98/83/564159883.db2.gz UDZSXFOOYYCPLI-OAHLLOKOSA-N 0 0 332.494 4.526 50 0 EJAARN O=C(Cc1ncc(C(F)(F)F)cc1Cl)NC1CCCCCCC1 ZINC000004014693 564160032 /nfs/dbraw/zinc/16/00/32/564160032.db2.gz SMKFYLCAHNORGG-UHFFFAOYSA-N 0 0 348.796 4.525 50 0 EJAARN CC(=O)N1c2ccccc2C(c2ccccc2)(c2ccccc2)O[C@H]1C ZINC000004019426 564160074 /nfs/dbraw/zinc/16/00/74/564160074.db2.gz LDVWQACAMPGBCB-SFHVURJKSA-N 0 0 343.426 4.708 50 0 EJAARN O=C(COc1ccc(-c2ccccc2)cc1)N1CCCc2ccccc21 ZINC000004037729 564160185 /nfs/dbraw/zinc/16/01/85/564160185.db2.gz GFRIQAPNDVZZGT-UHFFFAOYSA-N 0 0 343.426 4.712 50 0 EJAARN Cc1ccc(NC(=S)N2CCn3cccc3[C@H]2c2ccccc2)cc1 ZINC000004059413 564160272 /nfs/dbraw/zinc/16/02/72/564160272.db2.gz KCWGTENJSCSAJW-HXUWFJFHSA-N 0 0 347.487 4.599 50 0 EJAARN Cc1nc2ccccc2n1C(=O)c1sc2ccccc2c1Cl ZINC000004066911 564160318 /nfs/dbraw/zinc/16/03/18/564160318.db2.gz AHOVTHBLMBXIDP-UHFFFAOYSA-N 0 0 326.808 4.901 50 0 EJAARN O=C(Nc1nc(-c2cccs2)cs1)c1ccc2ncsc2c1 ZINC000004088388 564160469 /nfs/dbraw/zinc/16/04/69/564160469.db2.gz CPMCPFYXCXJOER-UHFFFAOYSA-N 0 0 343.458 4.734 50 0 EJAARN Cc1nc2c(-c3cccs3)cnn2c(C)c1Cc1cccc(F)c1 ZINC000004089221 564160474 /nfs/dbraw/zinc/16/04/74/564160474.db2.gz SJZIMWOGDXVAOW-UHFFFAOYSA-N 0 0 337.423 4.805 50 0 EJAARN O=C(NC(=S)Nc1cccc2ccccc21)c1cc2ccccc2o1 ZINC000004090554 564160510 /nfs/dbraw/zinc/16/05/10/564160510.db2.gz ROYWPVRQSVVGLR-UHFFFAOYSA-N 0 0 346.411 4.713 50 0 EJAARN c1csc([C@H]2CC(c3ccc4c(c3)OCO4)=NN2c2ccccc2)c1 ZINC000059203710 564160896 /nfs/dbraw/zinc/16/08/96/564160896.db2.gz XXACOZPEPDKFDE-QGZVFWFLSA-N 0 0 348.427 4.833 50 0 EJAARN c1csc([C@@H]2CC(c3ccc4c(c3)OCO4)=NN2c2ccccc2)c1 ZINC000059203707 564160912 /nfs/dbraw/zinc/16/09/12/564160912.db2.gz 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/nfs/dbraw/zinc/16/19/08/564161908.db2.gz YFMOHPKCMZEKOS-INIZCTEOSA-N 0 0 331.415 4.853 50 0 EJAARN O=C1CCC[C@@H]1Sc1ncc(-c2ccccc2)n1-c1ccccc1 ZINC000007990608 564161989 /nfs/dbraw/zinc/16/19/89/564161989.db2.gz LWYIHHPRLJEPJT-IBGZPJMESA-N 0 0 334.444 4.753 50 0 EJAARN Cc1cc(C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)c(C)o1 ZINC000007990483 564161993 /nfs/dbraw/zinc/16/19/93/564161993.db2.gz LJSMJVLXBFLTHU-UHFFFAOYSA-N 0 0 326.421 4.504 50 0 EJAARN O=C1CCC[C@H]1Sc1ncc(-c2ccccc2)n1-c1ccccc1 ZINC000007990607 564161994 /nfs/dbraw/zinc/16/19/94/564161994.db2.gz LWYIHHPRLJEPJT-LJQANCHMSA-N 0 0 334.444 4.753 50 0 EJAARN C[C@H](NC(=O)Cc1ccc2c(c1)CCC2)c1cccc(C(F)(F)F)c1 ZINC000007990699 564162007 /nfs/dbraw/zinc/16/20/07/564162007.db2.gz DYMNMQMGANVJAE-ZDUSSCGKSA-N 0 0 347.380 4.614 50 0 EJAARN CCc1cccc(C)c1NC(=O)c1sc(-c2ccccn2)nc1C ZINC000008007558 564162117 /nfs/dbraw/zinc/16/21/17/564162117.db2.gz CWIMFKBBENICQB-UHFFFAOYSA-N 0 0 337.448 4.637 50 0 EJAARN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cc(-c2ccccc2)cs1 ZINC000263508322 564162477 /nfs/dbraw/zinc/16/24/77/564162477.db2.gz MQUGAWWECAKHFH-IPELMVKDSA-N 0 0 341.476 4.633 50 0 EJAARN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(-c2ccccc2)cs1 ZINC000263508325 564162486 /nfs/dbraw/zinc/16/24/86/564162486.db2.gz MQUGAWWECAKHFH-SNRMKQJTSA-N 0 0 341.476 4.633 50 0 EJAARN Cc1ccc2c(CC(=O)N[C@@H](C)c3ccc(F)cc3F)coc2c1C ZINC000008073780 564162532 /nfs/dbraw/zinc/16/25/32/564162532.db2.gz CMJMRJIGTWDVGV-ZDUSSCGKSA-N 0 0 343.373 4.748 50 0 EJAARN O=C(Nc1ccc(N2CCCCC2)cc1)C1(c2ccccc2)CCC1 ZINC000008113617 564162716 /nfs/dbraw/zinc/16/27/16/564162716.db2.gz UBKBUNBQPOIXSR-UHFFFAOYSA-N 0 0 334.463 4.737 50 0 EJAARN Cc1cc(OCC(=O)N[C@H](C)c2cc3ccccc3o2)ccc1Cl ZINC000008154317 564163223 /nfs/dbraw/zinc/16/32/23/564163223.db2.gz UJYVHUPEMXOEFN-CYBMUJFWSA-N 0 0 343.810 4.651 50 0 EJAARN CC(=O)N(C)Cc1ccc(-c2cn3c4ccc(C)cc4sc3n2)cc1 ZINC000008165710 564163269 /nfs/dbraw/zinc/16/32/69/564163269.db2.gz VUOXTKIJULEUBZ-UHFFFAOYSA-N 0 0 349.459 4.503 50 0 EJAARN Cc1ccc(C)c(OCC(=O)N[C@@H](C)c2ccc3ccccc3c2)c1 ZINC000008185126 564163417 /nfs/dbraw/zinc/16/34/17/564163417.db2.gz OOZYGCZKKITIJK-KRWDZBQOSA-N 0 0 333.431 4.713 50 0 EJAARN CCSc1nnc(-c2c[nH]c3ccccc23)n1-c1cccc(C)c1 ZINC000008192359 564163479 /nfs/dbraw/zinc/16/34/79/564163479.db2.gz OGDSNQLAIHTYSP-UHFFFAOYSA-N 0 0 334.448 4.836 50 0 EJAARN COC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccc(OC)cc1)CC2 ZINC000008194880 564163511 /nfs/dbraw/zinc/16/35/11/564163511.db2.gz NVZLMHJJRAAETD-FYWRMAATSA-N 0 0 345.398 4.517 50 0 EJAARN C[C@@H]1CCc2sc(-c3nnc(SCc4cscn4)o3)cc2C1 ZINC000008325354 564164411 /nfs/dbraw/zinc/16/44/11/564164411.db2.gz FYQPPHWZMAKGAO-SECBINFHSA-N 0 0 349.506 4.672 50 0 EJAARN Clc1ccc([C@@H](Sc2nnnn2C2CC2)c2ccccc2)cc1 ZINC000008325523 564164422 /nfs/dbraw/zinc/16/44/22/564164422.db2.gz BVHNBQLHZUHCMU-INIZCTEOSA-N 0 0 342.855 4.543 50 0 EJAARN CCc1oc2ccccc2c1CN(C)C(=O)Cc1c[nH]c2ccccc12 ZINC000008327800 564164489 /nfs/dbraw/zinc/16/44/89/564164489.db2.gz JLAZIWQWPBFPEO-UHFFFAOYSA-N 0 0 346.430 4.678 50 0 EJAARN Cc1cc2nc(N[C@@H](C)CCc3ccccc3)c3ccccc3n2n1 ZINC000008345116 564164617 /nfs/dbraw/zinc/16/46/17/564164617.db2.gz OZWDTULQPONKOT-HNNXBMFYSA-N 0 0 330.435 4.624 50 0 EJAARN O=C(Nc1nnc(C2CC2)s1)c1ccc(-c2ccc(F)cc2)s1 ZINC000008395308 564165090 /nfs/dbraw/zinc/16/50/90/564165090.db2.gz NLTXNAKDUJLEDB-UHFFFAOYSA-N 0 0 345.424 4.535 50 0 EJAARN Cc1cccc(NC(=O)Cc2csc(-c3cccs3)n2)c1C ZINC000008427989 564165244 /nfs/dbraw/zinc/16/52/44/564165244.db2.gz GKKMUPPUNJIUBF-UHFFFAOYSA-N 0 0 328.462 4.670 50 0 EJAARN COc1ccccc1NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC000008562822 564165743 /nfs/dbraw/zinc/16/57/43/564165743.db2.gz CQCXTBWZLFPUFH-INIZCTEOSA-N 0 0 347.414 4.768 50 0 EJAARN CCCCOc1cccc(C(=O)Nc2cccc3ccc(C)nc32)c1 ZINC000008587522 564165918 /nfs/dbraw/zinc/16/59/18/564165918.db2.gz ZBSIMXQWEKFHGE-UHFFFAOYSA-N 0 0 334.419 4.974 50 0 EJAARN Cc1cc(C)n(-c2nnc(Nc3cc(C)ccc3C)c3ccccc32)n1 ZINC000008594600 564165932 /nfs/dbraw/zinc/16/59/32/564165932.db2.gz UGPHLLZHRMMBSG-UHFFFAOYSA-N 0 0 343.434 4.793 50 0 EJAARN Cc1cc(C)n(-c2nnc(Nc3ccc(C)c(C)c3)c3ccccc32)n1 ZINC000008594555 564165950 /nfs/dbraw/zinc/16/59/50/564165950.db2.gz INYZQGDCFRHZFZ-UHFFFAOYSA-N 0 0 343.434 4.793 50 0 EJAARN CCOc1ccc(-c2cc(-c3nc(-c4ccc(C)cc4)no3)n[nH]2)cc1 ZINC000008603009 564166005 /nfs/dbraw/zinc/16/60/05/564166005.db2.gz SUJSTLYCEVEFPS-UHFFFAOYSA-N 0 0 346.390 4.501 50 0 EJAARN O=C(Cn1c(-c2cccs2)cc2cc(F)ccc21)N1CCCCC1 ZINC000008602213 564166022 /nfs/dbraw/zinc/16/60/22/564166022.db2.gz UWIKOAQNLIJINE-UHFFFAOYSA-N 0 0 342.439 4.521 50 0 EJAARN Clc1ccc2sc(SCc3cn4ccccc4n3)nc2c1 ZINC000008642657 564166172 /nfs/dbraw/zinc/16/61/72/564166172.db2.gz SIWIJIBNWMXHII-UHFFFAOYSA-N 0 0 331.853 4.890 50 0 EJAARN O=C(C[C@@H](c1cccc2ccccc21)n1cccc1)Nc1cccnc1 ZINC000263588636 564166323 /nfs/dbraw/zinc/16/63/23/564166323.db2.gz WLNYBYZZLKSEMC-NRFANRHFSA-N 0 0 341.414 4.655 50 0 EJAARN Fc1ccc(Cn2nc(C3CC3)nc2CCCc2cccs2)cc1 ZINC000670473521 564166387 /nfs/dbraw/zinc/16/63/87/564166387.db2.gz DBZVTHNBTCOAKS-UHFFFAOYSA-N 0 0 341.455 4.580 50 0 EJAARN C[C@@H]1C[C@@H](C)CN(C(=S)Nc2ccc(SC(F)F)cc2)C1 ZINC000008692225 564166392 /nfs/dbraw/zinc/16/63/92/564166392.db2.gz VFQMVPUYWSZTNA-GHMZBOCLSA-N 0 0 330.469 4.676 50 0 EJAARN Cc1cc(CSc2nc3ccccc3c(Nc3ccccc3)n2)no1 ZINC000008704444 564166399 /nfs/dbraw/zinc/16/63/99/564166399.db2.gz PMIOPMSCYPWJSL-UHFFFAOYSA-N 0 0 348.431 4.962 50 0 EJAARN Cc1ccc(NC(=O)[C@@H](C)Sc2ccc(C(F)(F)F)cn2)cc1 ZINC000008706714 564166498 /nfs/dbraw/zinc/16/64/98/564166498.db2.gz DFKLHBOAWQHISU-LLVKDONJSA-N 0 0 340.370 4.528 50 0 EJAARN Cc1noc(C)c1CSc1ccccc1C(=O)NC1CCCCC1 ZINC000008708231 564166557 /nfs/dbraw/zinc/16/65/57/564166557.db2.gz QNRPCUDFVYLHCA-UHFFFAOYSA-N 0 0 344.480 4.646 50 0 EJAARN Cc1onc(-c2ccccc2)c1-c1nnc(CSc2ccccc2)o1 ZINC000008726927 564167021 /nfs/dbraw/zinc/16/70/21/564167021.db2.gz 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/nfs/dbraw/zinc/16/81/21/564168121.db2.gz OBEIGWZMGROQIW-UHFFFAOYSA-N 0 0 334.847 4.641 50 0 EJAARN Cc1noc(C)c1CCC(=O)Nc1ccccc1N(C)c1ccccc1 ZINC000040114522 564168167 /nfs/dbraw/zinc/16/81/67/564168167.db2.gz DGRFJNOBIKMWHI-UHFFFAOYSA-N 0 0 349.434 4.631 50 0 EJAARN Cc1ccc(OCCC(=O)O[C@H](C)c2cnc3ccccc3c2)cc1 ZINC000069388151 564169131 /nfs/dbraw/zinc/16/91/31/564169131.db2.gz SQYSUHDVKAVJSY-MRXNPFEDSA-N 0 0 335.403 4.617 50 0 EJAARN C[C@@H](N[C@H](C)c1cccc(Cl)c1)c1nnc(-c2ccccc2)o1 ZINC000069417418 564169306 /nfs/dbraw/zinc/16/93/06/564169306.db2.gz ADFGUOZZJNYOHB-CHWSQXEVSA-N 0 0 327.815 4.802 50 0 EJAARN CC(C)c1nnc(CN(C)[C@H](c2ccccc2)c2ccc(F)cc2)o1 ZINC000069484579 564169789 /nfs/dbraw/zinc/16/97/89/564169789.db2.gz FYEZKQHXQIHPCW-LJQANCHMSA-N 0 0 339.414 4.554 50 0 EJAARN CC(C)(C)c1cn2nc(N[C@@H]3CCc4c3cccc4Cl)sc2n1 ZINC000069625235 564170995 /nfs/dbraw/zinc/17/09/95/564170995.db2.gz NPEKHYIGOCNXIS-CYBMUJFWSA-N 0 0 346.887 4.841 50 0 EJAARN Cc1noc(C)c1CCC(=O)Nc1ccc(C(F)(F)F)cc1Cl 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Cc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)c2cccnc12 ZINC000041156794 564173610 /nfs/dbraw/zinc/17/36/10/564173610.db2.gz CZLOCPGBKFRLJP-UHFFFAOYSA-N 0 0 348.446 4.858 50 0 EJAARN Cc1cc(F)ccc1NC(=O)c1ncoc1-c1cccc(Cl)c1 ZINC000009527391 564174027 /nfs/dbraw/zinc/17/40/27/564174027.db2.gz KQRYAQGVKZVLLH-UHFFFAOYSA-N 0 0 330.746 4.695 50 0 EJAARN CCc1ccc(NC(=O)c2ncoc2-c2cccc(Cl)c2)cc1 ZINC000009527369 564174028 /nfs/dbraw/zinc/17/40/28/564174028.db2.gz DJEDPFHUPYGKMU-UHFFFAOYSA-N 0 0 326.783 4.810 50 0 EJAARN O=C(CSc1nnc(C2CC2)n1C1CC1)c1ccc2ccccc2c1 ZINC000009548149 564174112 /nfs/dbraw/zinc/17/41/12/564174112.db2.gz RSGOZCXDMFHTBS-UHFFFAOYSA-N 0 0 349.459 4.619 50 0 EJAARN COc1ccccc1NC(=O)c1ccc(C2SCCCS2)cc1 ZINC000009544789 564174122 /nfs/dbraw/zinc/17/41/22/564174122.db2.gz DIWTZQHNKXOSPM-UHFFFAOYSA-N 0 0 345.489 4.816 50 0 EJAARN CCN(c1ccccc1)c1ncnc2c1cnn2-c1cc(C)cc(C)c1 ZINC000009573695 564174167 /nfs/dbraw/zinc/17/41/67/564174167.db2.gz LUEBTNKEADUWGP-UHFFFAOYSA-N 0 0 343.434 4.590 50 0 EJAARN Cc1ccc(CNC(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000009711050 564174500 /nfs/dbraw/zinc/17/45/00/564174500.db2.gz BBARARBFXIFCOU-GOSISDBHSA-N 0 0 328.843 4.599 50 0 EJAARN Cc1coc(C)c1C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000009763965 564174614 /nfs/dbraw/zinc/17/46/14/564174614.db2.gz LMMJQDUDLNXQKP-UHFFFAOYSA-N 0 0 346.839 4.849 50 0 EJAARN O=C(CN1CCC[C@@H]1c1ccccc1)Nc1cccc(Cl)c1Cl ZINC000010311215 564175224 /nfs/dbraw/zinc/17/52/24/564175224.db2.gz OJPAJXXYEDPOSB-MRXNPFEDSA-N 0 0 349.261 4.769 50 0 EJAARN CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)c1csc(C)n1 ZINC000071832989 564175776 /nfs/dbraw/zinc/17/57/76/564175776.db2.gz OMVSLQDHWGHHOT-GFCCVEGCSA-N 0 0 344.480 4.783 50 0 EJAARN CN(Cc1ccc(-c2ccccc2)cc1)C(=O)c1cccc2[nH]ncc21 ZINC000071843972 564175890 /nfs/dbraw/zinc/17/58/90/564175890.db2.gz FQUJCFWXBQLFEZ-UHFFFAOYSA-N 0 0 341.414 4.502 50 0 EJAARN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(F)cc(F)c1 ZINC000071844336 564175922 /nfs/dbraw/zinc/17/59/22/564175922.db2.gz XKTUJWNLQILUCO-MOPGFXCFSA-N 0 0 329.390 4.763 50 0 EJAARN Cc1csc(-c2ccc(C(=O)N3CCC[C@@H]4CCCC[C@H]43)cc2)n1 ZINC000071847883 564176000 /nfs/dbraw/zinc/17/60/00/564176000.db2.gz QSBIJYSONPMEBP-MAUKXSAKSA-N 0 0 340.492 4.913 50 0 EJAARN C[C@@H](c1ccc(Cl)cc1)S(=O)(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC000077647157 564176809 /nfs/dbraw/zinc/17/68/09/564176809.db2.gz IQUCZNQNJVLTMM-QWRGUYRKSA-N 0 0 344.810 4.855 50 0 EJAARN O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccccc1C(F)(F)F ZINC000035332880 564177524 /nfs/dbraw/zinc/17/75/24/564177524.db2.gz CKIHVOWBCYUVFQ-GXDHUFHOSA-N 0 0 348.349 4.597 50 0 EJAARN Cc1ccc(NC(=O)Nc2nnc([C@@H](C)c3ccccc3)s2)cc1 ZINC000009167728 568414963 /nfs/dbraw/zinc/41/49/63/568414963.db2.gz KKYACYSDGDULDL-ZDUSSCGKSA-N 0 0 338.436 4.642 50 0 EJAARN COc1ccccc1Oc1ccc2c(c1)Oc1ccccc1NC2=O ZINC000004743917 210267867 /nfs/dbraw/zinc/26/78/67/210267867.db2.gz ICPOBSLRNOJARN-UHFFFAOYSA-N 0 0 333.343 4.846 50 0 EJAARN CN(c1ccccc1)c1ccccc1NC(=O)/C=C/c1cscn1 ZINC000050316149 214053197 /nfs/dbraw/zinc/05/31/97/214053197.db2.gz UGAKYAPBAZMVIS-VAWYXSNFSA-N 0 0 335.432 4.563 50 0 EJAARN O=C(Nc1nc2ccccc2n1Cc1ccccc1)C1CCCCC1 ZINC000051192425 214083360 /nfs/dbraw/zinc/08/33/60/214083360.db2.gz ICBNVIWIZLASQS-UHFFFAOYSA-N 0 0 333.435 4.603 50 0 EJAARN CCCCc1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)cc1 ZINC000051315551 214088010 /nfs/dbraw/zinc/08/80/10/214088010.db2.gz ZJHLULKBZAPHPM-UHFFFAOYSA-N 0 0 349.434 4.680 50 0 EJAARN O=C(Nc1cccc(OC(F)(F)F)c1)Nc1ccc(F)cc1F ZINC000051354098 214089836 /nfs/dbraw/zinc/08/98/36/214089836.db2.gz UMNJWCFMMUNRQD-UHFFFAOYSA-N 0 0 332.228 4.507 50 0 EJAARN COc1ccc(NC(=O)Nc2ccc(Cl)cc2Cl)c(C)c1 ZINC000051355885 214089870 /nfs/dbraw/zinc/08/98/70/214089870.db2.gz DDWZBPHEWPDLCH-UHFFFAOYSA-N 0 0 325.195 4.954 50 0 EJAARN O=C(Nc1cccc(Br)c1)Nc1cccc(Cl)c1F ZINC000051354355 214089897 /nfs/dbraw/zinc/08/98/97/214089897.db2.gz URVYCBUMKGXTJD-UHFFFAOYSA-N 0 0 343.583 4.886 50 0 EJAARN Cc1cc(NC(=O)Nc2cc(F)ccc2F)ccc1Br ZINC000051354443 214089913 /nfs/dbraw/zinc/08/99/13/214089913.db2.gz SXNUTGLASSOJAF-UHFFFAOYSA-N 0 0 341.155 4.680 50 0 EJAARN CCOC(=O)c1ccc(NC(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000051354265 214090054 /nfs/dbraw/zinc/09/00/54/214090054.db2.gz JDAVPCCAHFZYNF-UHFFFAOYSA-N 0 0 326.396 4.631 50 0 EJAARN CCCCOC(=O)c1ccc(NC(=O)Nc2cccc(F)c2C)cc1 ZINC000051354521 214090058 /nfs/dbraw/zinc/09/00/58/214090058.db2.gz WXZOFUOMITVORZ-UHFFFAOYSA-N 0 0 344.386 4.735 50 0 EJAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2OC3(C)C)cc1 ZINC000004715961 210258604 /nfs/dbraw/zinc/25/86/04/210258604.db2.gz AVNPJAYPXXRCFB-KRWDZBQOSA-N 0 0 342.826 4.628 50 0 EJAARN CC(C)c1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000004717715 210257980 /nfs/dbraw/zinc/25/79/80/210257980.db2.gz DHXAOZKBHFRHNT-UHFFFAOYSA-N 0 0 326.484 4.578 50 0 EJAARN COc1ccc(C(=O)Oc2ccc(C(C)(C)C)cc2C)cc1OC ZINC000006903860 201705201 /nfs/dbraw/zinc/70/52/01/201705201.db2.gz JULKYCDOCTXDAO-UHFFFAOYSA-N 0 0 328.408 4.529 50 0 EJAARN CCn1c(C)c(C)c2cc(C(=O)NCc3ccc(Cl)cc3)ccc21 ZINC000006912390 201705287 /nfs/dbraw/zinc/70/52/87/201705287.db2.gz YSZOAYIFSPKRIL-UHFFFAOYSA-N 0 0 340.854 4.861 50 0 EJAARN CCOc1cc(C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OC ZINC000004705233 210254853 /nfs/dbraw/zinc/25/48/53/210254853.db2.gz OZZOQVPGLKFFQE-UHFFFAOYSA-N 0 0 333.815 4.616 50 0 EJAARN S=C1N=NC(c2cccs2)N1c1ccc(Cl)cc1Cl ZINC000004707869 210254755 /nfs/dbraw/zinc/25/47/55/210254755.db2.gz BJOJUHJXACCXTI-UHFFFAOYSA-N 0 0 328.249 4.591 50 0 EJAARN Cc1cc(C)c(-c2csc(CC(=O)Nc3ccccc3)n2)c(C)c1 ZINC000004700836 210251359 /nfs/dbraw/zinc/25/13/59/210251359.db2.gz WXSFSQOKWRINIZ-UHFFFAOYSA-N 0 0 336.460 4.917 50 0 EJAARN C/C(=C/c1ccccc1)C(=O)Nc1nnc(C2CCCCC2)s1 ZINC000004696228 210250999 /nfs/dbraw/zinc/25/09/99/210250999.db2.gz AWMMHKZPGZAHFV-SEYXRHQNSA-N 0 0 327.453 4.628 50 0 EJAARN C[C@H](c1ccccn1)N(C)C(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000055071264 214269252 /nfs/dbraw/zinc/26/92/52/214269252.db2.gz VNKWTQGGYKYBAL-ZNSMGHQKSA-N 0 0 326.484 4.598 50 0 EJAARN C/C(=C/C(=O)NCc1ccc(-c2nc3ccccc3s2)o1)C1CC1 ZINC000055099286 214272467 /nfs/dbraw/zinc/27/24/67/214272467.db2.gz VUJGTSAOQBKJCH-BENRWUELSA-N 0 0 338.432 4.529 50 0 EJAARN CCOC(=O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1 ZINC000097757573 219054337 /nfs/dbraw/zinc/05/43/37/219054337.db2.gz ZBBQVILRTYDNML-UHFFFAOYSA-N 0 0 338.407 4.978 50 0 EJAARN COC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1Cl ZINC000097756943 219055014 /nfs/dbraw/zinc/05/50/14/219055014.db2.gz LDDXGICCQWOCBQ-UHFFFAOYSA-N 0 0 330.689 4.692 50 0 EJAARN Cc1ccc(S[C@H](C)C(=O)Nc2cccc3c2CCCC3)cc1 ZINC000055554141 214329455 /nfs/dbraw/zinc/32/94/55/214329455.db2.gz CBOKMJAJUZMGEO-OAHLLOKOSA-N 0 0 325.477 4.993 50 0 EJAARN Cc1ccc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)c(C)c1 ZINC000004682366 210246786 /nfs/dbraw/zinc/24/67/86/210246786.db2.gz AIOGKXASSAYQHO-UHFFFAOYSA-N 0 0 326.465 4.554 50 0 EJAARN O=C(Nc1ccc(Cl)c(Cl)c1)N1N=CC[C@@H]1c1ccccc1 ZINC000004681795 210246559 /nfs/dbraw/zinc/24/65/59/210246559.db2.gz ZJIWKFBALDEBDW-OAHLLOKOSA-N 0 0 334.206 4.958 50 0 EJAARN Cc1cccc([C@@H]2CCCN2C(=O)Cc2coc(-c3ccccc3)n2)c1 ZINC000056001452 214352442 /nfs/dbraw/zinc/35/24/42/214352442.db2.gz LMQMMKLVTOUBME-FQEVSTJZSA-N 0 0 346.430 4.556 50 0 EJAARN CCN(c1cccc2ccccc21)S(=O)(=O)/C=C/c1ccccc1 ZINC000006998560 201708975 /nfs/dbraw/zinc/70/89/75/201708975.db2.gz DEEAASKPCVHAGC-FOCLMDBBSA-N 0 0 337.444 4.667 50 0 EJAARN Cc1cc2[nH]c(C(=O)N(C)Cc3ccc([C@@H]4C[C@H]4C)o3)cc2c(C)c1 ZINC000058006576 214469923 /nfs/dbraw/zinc/46/99/23/214469923.db2.gz TVAXNUDGNPOJMF-RHSMWYFYSA-N 0 0 336.435 4.773 50 0 EJAARN Cc1c2ccccc2sc1C(=O)Nc1ccc(-c2nnco2)cc1 ZINC000058267321 214522238 /nfs/dbraw/zinc/52/22/38/214522238.db2.gz YVDXGZBHHPFWAW-UHFFFAOYSA-N 0 0 335.388 4.512 50 0 EJAARN CC(C)(C)CCCCOC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000004655762 210238585 /nfs/dbraw/zinc/23/85/85/210238585.db2.gz FYDJJDRMTMALMJ-UHFFFAOYSA-N 0 0 340.463 4.682 50 0 EJAARN C[C@@H]1CCc2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)csc2C1 ZINC000004651164 210238027 /nfs/dbraw/zinc/23/80/27/210238027.db2.gz VGSZCWPSBVDMLQ-BUBBNXEVSA-N 0 0 343.536 4.819 50 0 EJAARN Cc1nc(-c2ccc(OCCOc3ccc4ccccc4c3)cc2)no1 ZINC000058358123 214561994 /nfs/dbraw/zinc/56/19/94/214561994.db2.gz BZPZZJDNIGWCPD-UHFFFAOYSA-N 0 0 346.386 4.656 50 0 EJAARN C[C@@H]1c2ccsc2CCN1C(=O)c1[nH]c2ccccc2c1Cl ZINC000058417750 214580347 /nfs/dbraw/zinc/58/03/47/214580347.db2.gz GAUSDBHGAPJQJR-SNVBAGLBSA-N 0 0 330.840 4.642 50 0 EJAARN O=C(NC1CCCCC1)c1ccc(C23CC4CC(CC(C4)C2)C3)o1 ZINC000004619504 210232620 /nfs/dbraw/zinc/23/26/20/210232620.db2.gz SWJVRTMNFDQWBB-UHFFFAOYSA-N 0 0 327.468 4.810 50 0 EJAARN COc1ccc(-c2c(Cl)sc3nc(C)nc(Cl)c32)cc1 ZINC000049597397 214021197 /nfs/dbraw/zinc/02/11/97/214021197.db2.gz NZPQGTYMRYOIIS-UHFFFAOYSA-N 0 0 325.220 4.982 50 0 EJAARN O=C1OC(/C=C/c2ccccc2)=N/C1=C\c1cccc2ccccc12 ZINC000004590147 210228891 /nfs/dbraw/zinc/22/88/91/210228891.db2.gz SQHAMQHQTPQYCB-MCDHDYCYSA-N 0 0 325.367 4.849 50 0 EJAARN CCCC1CCC(C2=N/C(=C\c3cccc(OC)c3)C(=O)O2)CC1 ZINC000004588488 210228294 /nfs/dbraw/zinc/22/82/94/210228294.db2.gz VNUDPWYQRLTEOI-AQTBWJFISA-N 0 0 327.424 4.598 50 0 EJAARN O=C1S/C(=C/c2ccccc2Cl)C(=O)N1Cc1ccccc1F ZINC000004588077 210227205 /nfs/dbraw/zinc/22/72/05/210227205.db2.gz LEXLDVMGUWRUBP-OQLLNIDSSA-N 0 0 347.798 4.716 50 0 EJAARN CCOC(=O)/C=C1\N[C@]2(C)CCCC[C@H]2c2c3ccccc3ccc21 ZINC000004580282 210226226 /nfs/dbraw/zinc/22/62/26/210226226.db2.gz VAZRPGPBFIBQRT-HKACETBDSA-N 0 0 335.447 4.763 50 0 EJAARN O=c1oc(-c2ccc(C(F)(F)F)cc2)nc2c3ccccc3oc21 ZINC000004558240 210220043 /nfs/dbraw/zinc/22/00/43/210220043.db2.gz GUCGIRRXRRGREB-UHFFFAOYSA-N 0 0 331.249 4.620 50 0 EJAARN CC[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2F)N3)C1 ZINC000004545381 210219399 /nfs/dbraw/zinc/21/93/99/210219399.db2.gz GHPOYLXPLVUNHT-MGPLVRAMSA-N 0 0 330.428 4.831 50 0 EJAARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2F)N3)C1 ZINC000004545380 210219602 /nfs/dbraw/zinc/21/96/02/210219602.db2.gz GHPOYLXPLVUNHT-QLJPJBMISA-N 0 0 330.428 4.831 50 0 EJAARN C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc4ccccc4c2)N3)C1 ZINC000004543391 210218797 /nfs/dbraw/zinc/21/87/97/210218797.db2.gz QDOQLAGESWEVFL-BUXKBTBVSA-N 0 0 348.471 4.880 50 0 EJAARN COc1cccc(/C=C/C(=O)Nc2ccc(C)cc2Cl)c1Cl ZINC000004542764 210217914 /nfs/dbraw/zinc/21/79/14/210217914.db2.gz ZANRRSGUKBDPSR-VQHVLOKHSA-N 0 0 336.218 4.962 50 0 EJAARN COc1cccc(CCC(=O)Nc2ccc(C)c(Cl)c2)c1Cl ZINC000004542828 210217774 /nfs/dbraw/zinc/21/77/74/210217774.db2.gz LJCSQBGKHZGGIV-UHFFFAOYSA-N 0 0 338.234 4.882 50 0 EJAARN CC1CCN(C(=O)CCc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000004541850 210216222 /nfs/dbraw/zinc/21/62/22/210216222.db2.gz XJWPPRRJAUDSPE-UHFFFAOYSA-N 0 0 331.843 4.791 50 0 EJAARN O=C(Nc1nccs1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000004536143 210215525 /nfs/dbraw/zinc/21/55/25/210215525.db2.gz OKCLNMTYLHWDGW-UHFFFAOYSA-N 0 0 339.203 4.962 50 0 EJAARN CCOc1ccc2c(c1)[C@H](c1ccccc1C(F)(F)F)CC(=O)N2 ZINC000004503253 210206574 /nfs/dbraw/zinc/20/65/74/210206574.db2.gz DOZXCWBGMOKMHX-ZDUSSCGKSA-N 0 0 335.325 4.578 50 0 EJAARN Cc1cccc(C)c1NC(=O)CSc1nc2cc(Cl)ccc2[nH]1 ZINC000004485012 210200106 /nfs/dbraw/zinc/20/01/06/210200106.db2.gz YYHBIGSHIHOPSM-UHFFFAOYSA-N 0 0 345.855 4.564 50 0 EJAARN O=C(/N=c1/scc(-c2ccccc2)n1-c1ccccc1)c1ccco1 ZINC000100563669 219101853 /nfs/dbraw/zinc/10/18/53/219101853.db2.gz BXUWKCDVRSUCRR-QZQOTICOSA-N 0 0 346.411 4.540 50 0 EJAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@]32CCCC(=O)C2)cc1 ZINC000100671116 219104297 /nfs/dbraw/zinc/10/42/97/219104297.db2.gz PCKAMFUEEURWNF-UNMCSNQZSA-N 0 0 346.430 4.861 50 0 EJAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@]32CCCC(=O)C2)cc1 ZINC000100671113 219104571 /nfs/dbraw/zinc/10/45/71/219104571.db2.gz PCKAMFUEEURWNF-IRLDBZIGSA-N 0 0 346.430 4.861 50 0 EJAARN Cc1cccc(NC(=O)c2nc3cc(C)c(C)cc3nc2OC(C)C)c1 ZINC000064439030 214786339 /nfs/dbraw/zinc/78/63/39/214786339.db2.gz AZOSNOOBZMCTMA-UHFFFAOYSA-N 0 0 349.434 4.595 50 0 EJAARN COc1ccccc1O[P@](C)(=O)Nc1cccc(Cl)c1C ZINC000100713761 219105064 /nfs/dbraw/zinc/10/50/64/219105064.db2.gz WDPZKZWHROSRRX-NRFANRHFSA-N 0 0 325.732 4.971 50 0 EJAARN CCCC[C@H](CC)C(=O)O[C@H](C)C(=O)N(CCCC)CCCC ZINC000004428343 210192647 /nfs/dbraw/zinc/19/26/47/210192647.db2.gz KMCZEAHLLDORIG-SJORKVTESA-N 0 0 327.509 4.563 50 0 EJAARN CCCCC(=O)Nc1ccc(-c2nc(-c3cccc(C)c3)no2)cc1 ZINC000064580021 214795005 /nfs/dbraw/zinc/79/50/05/214795005.db2.gz DYFBUSCHVUZJBB-UHFFFAOYSA-N 0 0 335.407 4.841 50 0 EJAARN C[C@@H](O)CCn1cc(C(=O)c2cccc3ccccc32)c2ccccc21 ZINC000064859588 214810446 /nfs/dbraw/zinc/81/04/46/214810446.db2.gz YPRJGJFJMZOUSH-MRXNPFEDSA-N 0 0 343.426 4.796 50 0 in-vitro EJAARN Fc1ccccc1COc1ccc(Cl)cc1CNCc1ccco1 ZINC000007523703 201722108 /nfs/dbraw/zinc/72/21/08/201722108.db2.gz JYDLMGMZFPEFEW-UHFFFAOYSA-N 0 0 345.801 4.941 50 0 EJAARN CCCc1cc([C@H]2CCCN2C(=O)Nc2ccc(CC)cc2)no1 ZINC000064984574 214819913 /nfs/dbraw/zinc/81/99/13/214819913.db2.gz WIAZVRRUFWBDJC-GOSISDBHSA-N 0 0 327.428 4.559 50 0 EJAARN Cc1cccc(NC(=O)N2CCC[C@H]2c2cc(C(C)C)no2)c1C ZINC000064985012 214821355 /nfs/dbraw/zinc/82/13/55/214821355.db2.gz BHMMEGMIINUHRJ-KRWDZBQOSA-N 0 0 327.428 4.784 50 0 EJAARN COC(=O)c1cc(Nc2ccc(Cl)cc2)c2cccc(F)c2n1 ZINC000065033684 214824267 /nfs/dbraw/zinc/82/42/67/214824267.db2.gz QMSWPRJBHLNJEX-UHFFFAOYSA-N 0 0 330.746 4.558 50 0 EJAARN CCc1cccc2sc(NC(=O)c3ccc4ncsc4c3)nc21 ZINC000004325840 210172209 /nfs/dbraw/zinc/17/22/09/210172209.db2.gz UJDROFACKXBUSV-UHFFFAOYSA-N 0 0 339.445 4.721 50 0 EJAARN Cc1ccc(Cl)c2sc(NC(=O)CCc3ccccc3)nc21 ZINC000004325381 210171322 /nfs/dbraw/zinc/17/13/22/210171322.db2.gz RGXXWIMAUOCGQO-UHFFFAOYSA-N 0 0 330.840 4.829 50 0 EJAARN Cc1nc2cc(-c3noc(-c4cc(F)ccc4Cl)n3)ccc2o1 ZINC000065149641 214833724 /nfs/dbraw/zinc/83/37/24/214833724.db2.gz HKZCDZBAHZODDO-UHFFFAOYSA-N 0 0 329.718 4.646 50 0 EJAARN CSc1cccc(NC(=O)COc2cc(Cl)ccc2Cl)c1 ZINC000004317087 210168758 /nfs/dbraw/zinc/16/87/58/210168758.db2.gz SCRHZFVODDQXJU-UHFFFAOYSA-N 0 0 342.247 4.733 50 0 EJAARN O=C(c1cccc(Cl)c1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000004306615 210166574 /nfs/dbraw/zinc/16/65/74/210166574.db2.gz JZCSLLGLDZHABT-OAHLLOKOSA-N 0 0 340.766 4.518 50 0 EJAARN CC(=O)c1c(C)nn(C(=O)N(c2ccccc2)c2ccccc2)c1C ZINC000004294178 210162265 /nfs/dbraw/zinc/16/22/65/210162265.db2.gz JCSPHHMHOKVPJB-UHFFFAOYSA-N 0 0 333.391 4.509 50 0 EJAARN COc1cc([C@H](C)NC(=O)[C@H]2CC=CCC2)ccc1OC1CCCC1 ZINC000048340044 213925042 /nfs/dbraw/zinc/92/50/42/213925042.db2.gz VENLRASEXVWVPZ-HOTGVXAUSA-N 0 0 343.467 4.550 50 0 EJAARN CCOC(=O)c1sc(SC(C)C)c2c1CC(C)(C)CC2=O ZINC000004284546 210160915 /nfs/dbraw/zinc/16/09/15/210160915.db2.gz MKYKSCSPJSZFRF-UHFFFAOYSA-N 0 0 326.483 4.580 50 0 EJAARN COc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1C1(CCCCC1)O2 ZINC000004281985 210160559 /nfs/dbraw/zinc/16/05/59/210160559.db2.gz MAVQVQWPTSXCEE-HXUWFJFHSA-N 0 0 348.446 4.899 50 0 EJAARN CCSc1nc2ccccc2n1C(=O)/C=C/c1cccc(F)c1 ZINC000004276243 210158422 /nfs/dbraw/zinc/15/84/22/210158422.db2.gz PMDLOQSKYOQTDU-ZHACJKMWSA-N 0 0 326.396 4.641 50 0 EJAARN Cc1ccc(C2=N/C(=C\C(Cl)=C\c3ccccc3)C(=O)O2)s1 ZINC000009155087 201768740 /nfs/dbraw/zinc/76/87/40/201768740.db2.gz ZSUGFCWXYFTVSR-FOIMCPNXSA-N 0 0 329.808 4.524 50 0 EJAARN CSCc1c2ccccc2oc1C(=O)N[C@@H](C)c1cccs1 ZINC000009995978 201792610 /nfs/dbraw/zinc/79/26/10/201792610.db2.gz SEIGFRMFJOCMCF-NSHDSACASA-N 0 0 331.462 4.848 50 0 EJAARN Cc1ccc(Nc2nc(C)c3c(n2)C[C@H](c2cccs2)CC3=O)cc1 ZINC000010156624 201794201 /nfs/dbraw/zinc/79/42/01/201794201.db2.gz ADFFMSMASLKBGA-AWEZNQCLSA-N 0 0 349.459 4.811 50 0 EJAARN CCOC(=O)c1oc2ccccc2c1NC(=O)c1cccc(Cl)c1 ZINC000004162607 210134838 /nfs/dbraw/zinc/13/48/38/210134838.db2.gz QDWRMKVYWYLFQJ-UHFFFAOYSA-N 0 0 343.766 4.515 50 0 EJAARN CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2ccccc2)c1 ZINC000010287574 201796388 /nfs/dbraw/zinc/79/63/88/201796388.db2.gz MUKSPBFZTCUZQO-UHFFFAOYSA-N 0 0 344.842 4.650 50 0 EJAARN C[C@H](NC(=O)C(C)(C)C)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000047255530 213839237 /nfs/dbraw/zinc/83/92/37/213839237.db2.gz VZSOPFGZNWYZIP-AWEZNQCLSA-N 0 0 339.439 4.554 50 0 EJAARN CCc1ccccc1NC(=O)CNc1ccccc1-c1ccccc1 ZINC000011618996 201811373 /nfs/dbraw/zinc/81/13/73/201811373.db2.gz NADMRKHQMCVLEL-UHFFFAOYSA-N 0 0 330.431 4.967 50 0 EJAARN Cn1c2ccc3ccccc3c2s/c1=N/C(=O)/C=C/c1ccccc1 ZINC000004134773 210129159 /nfs/dbraw/zinc/12/91/59/210129159.db2.gz FOYYMTMFKLLJIR-LOINWKKQSA-N 0 0 344.439 4.534 50 0 EJAARN O=C(Nc1ccccn1)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000047152987 213833612 /nfs/dbraw/zinc/83/36/12/213833612.db2.gz CAGRJAAKITVHQL-INIZCTEOSA-N 0 0 343.839 4.708 50 0 EJAARN CC(C)[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3cccs3)=NN21 ZINC000004133154 210127909 /nfs/dbraw/zinc/12/79/09/210127909.db2.gz DTKVSVBSSIOTDD-YOEHRIQHSA-N 0 0 332.856 4.927 50 0 EJAARN O=C(Nc1cccc(-n2cc[nH]c2=S)c1)C1(c2ccccc2)CCC1 ZINC000065552579 214957895 /nfs/dbraw/zinc/95/78/95/214957895.db2.gz DRRHNFMZDKSROB-UHFFFAOYSA-N 0 0 349.459 4.595 50 0 EJAARN CCCOc1cccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)c1 ZINC000004117160 210123332 /nfs/dbraw/zinc/12/33/32/210123332.db2.gz XFXHQSFZJAXSCS-UHFFFAOYSA-N 0 0 346.430 4.714 50 0 EJAARN Cc1cc(C)c2c(n1)sc1c2nc(-c2ccccc2Cl)oc1=O ZINC000012619805 201858405 /nfs/dbraw/zinc/85/84/05/201858405.db2.gz TUGMYTDSBLJQTN-UHFFFAOYSA-N 0 0 342.807 4.735 50 0 EJAARN O=C(Nc1cc2c(cc1Cl)OCO2)c1ccc(Cl)c(Cl)c1 ZINC000012764547 201866000 /nfs/dbraw/zinc/86/60/00/201866000.db2.gz CMOXDIJAYDRRMB-UHFFFAOYSA-N 0 0 344.581 4.628 50 0 EJAARN C[C@@H](NC(=O)[C@H]1Cc2ccccc2O1)c1ccc(-c2ccccc2)cc1 ZINC000012848031 201871846 /nfs/dbraw/zinc/87/18/46/201871846.db2.gz JXZGSIXBZBIRSQ-OPAMFIHVSA-N 0 0 343.426 4.535 50 0 EJAARN CSc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1 ZINC000012973449 201879286 /nfs/dbraw/zinc/87/92/86/201879286.db2.gz ZVGMMNLFHRUUHJ-UHFFFAOYSA-N 0 0 326.446 4.784 50 0 EJAARN Cc1ccccc1-c1nnc(NC(=O)c2c(F)cccc2Cl)s1 ZINC000004079061 210114373 /nfs/dbraw/zinc/11/43/73/210114373.db2.gz CDIZNTLGILKOBP-UHFFFAOYSA-N 0 0 347.802 4.558 50 0 EJAARN Cc1cccc(C(=O)Nc2nnc(-c3c(C)cc(C)cc3C)s2)c1 ZINC000004070347 210111724 /nfs/dbraw/zinc/11/17/24/210111724.db2.gz YGXIIOOVMSFJFU-UHFFFAOYSA-N 0 0 337.448 4.691 50 0 EJAARN CCCCC(=O)Nc1nnc(-c2ccc(Cl)cc2Cl)s1 ZINC000004070327 210111628 /nfs/dbraw/zinc/11/16/28/210111628.db2.gz JHVLACBKZVRIBC-UHFFFAOYSA-N 0 0 330.240 4.641 50 0 EJAARN Cc1ccc(C(=O)Nc2nnc(-c3c(C)cc(C)cc3C)s2)cc1 ZINC000004070345 210111362 /nfs/dbraw/zinc/11/13/62/210111362.db2.gz PNSIYIVSBOXJDV-UHFFFAOYSA-N 0 0 337.448 4.691 50 0 EJAARN Oc1ccccc1C1=Nc2nc3ccccc3n2[C@@H](c2ccccc2)C1 ZINC000013127820 201886313 /nfs/dbraw/zinc/88/63/13/201886313.db2.gz ANQWQLGUIIXYDF-HXUWFJFHSA-N 0 0 339.398 4.856 50 0 EJAARN COc1cc2c(Cl)nc(Cl)nc2cc1OCc1ccccc1 ZINC000066054863 215004451 /nfs/dbraw/zinc/00/44/51/215004451.db2.gz PTQCMUDKRFNQCR-UHFFFAOYSA-N 0 0 335.190 4.524 50 0 EJAARN Cc1cc2c(cc1C)N(Cc1cccc(F)c1)C(=O)[C@@H]1CCCC1=N2 ZINC000101945967 219174299 /nfs/dbraw/zinc/17/42/99/219174299.db2.gz LYMGJDWHFCGMLP-QGZVFWFLSA-N 0 0 336.410 4.862 50 0 EJAARN CSC1=NC(C)(C)C=C(C=Cc2ccc(C(F)(F)F)cc2)N1 ZINC000004039801 210106680 /nfs/dbraw/zinc/10/66/80/210106680.db2.gz WJCVZEYPHBJNER-RMKNXTFCSA-N 0 0 326.387 4.703 50 0 EJAARN COc1ccccc1[C@H]1CN(c2ccccc2)N=C1c1cccs1 ZINC000004021906 210101868 /nfs/dbraw/zinc/10/18/68/210101868.db2.gz KTKQHVZUOQDOQQ-QGZVFWFLSA-N 0 0 334.444 4.765 50 0 aggregator EJAARN Cc1ccc(NC(=O)Nc2cccc(C)c2NC(=O)C(C)C)cc1 ZINC000066089525 215008645 /nfs/dbraw/zinc/00/86/45/215008645.db2.gz KQOCDLNFEQUUIC-UHFFFAOYSA-N 0 0 325.412 4.542 50 0 EJAARN Cc1nc2cc(C)ccn2c1C(=O)CSc1cccc(Cl)c1 ZINC000004003150 210098723 /nfs/dbraw/zinc/09/87/23/210098723.db2.gz SDOKYZGARFNTOK-UHFFFAOYSA-N 0 0 330.840 4.580 50 0 EJAARN CC(=O)Nc1ccc(Nc2nc(-c3sc(C)nc3C)cs2)cc1 ZINC000003998707 210096597 /nfs/dbraw/zinc/09/65/97/210096597.db2.gz GEXHICPGGJBXPB-UHFFFAOYSA-N 0 0 344.465 4.585 50 0 EJAARN O=C(Nc1cc(Cl)ccc1Cl)c1cc(-c2ccccc2O)on1 ZINC000003908567 210091714 /nfs/dbraw/zinc/09/17/14/210091714.db2.gz FMPUXCXKIRTFKB-UHFFFAOYSA-N 0 0 349.173 4.606 50 0 EJAARN O=C(NCc1ccc(Cl)cc1)c1cc(-c2cccc(Cl)c2)on1 ZINC000003908245 210090968 /nfs/dbraw/zinc/09/09/68/210090968.db2.gz YAUSCFPJRPFIIR-UHFFFAOYSA-N 0 0 347.201 4.578 50 0 EJAARN CSc1ccccc1NC(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000003908272 210091594 /nfs/dbraw/zinc/09/15/94/210091594.db2.gz BJHTUDPMYXFEJU-UHFFFAOYSA-N 0 0 344.823 4.969 50 0 EJAARN Cc1ccc2c(CC(=O)N[C@H](C)CCc3ccccc3)coc2c1C ZINC000014125750 201927057 /nfs/dbraw/zinc/92/70/57/201927057.db2.gz AFMCKMRKADJWFX-MRXNPFEDSA-N 0 0 335.447 4.730 50 0 EJAARN O=C(Nc1cc(Cl)ccc1Cl)c1cc(-c2ccc(O)cc2)on1 ZINC000003907774 210091244 /nfs/dbraw/zinc/09/12/44/210091244.db2.gz SDDOKMLUFMRLJI-UHFFFAOYSA-N 0 0 349.173 4.606 50 0 EJAARN Cc1ccc([C@@H]2CC(c3ccc(C(C)C)cc3)=Nc3ncnn32)cc1 ZINC000102048072 219182892 /nfs/dbraw/zinc/18/28/92/219182892.db2.gz KHQUHSQHNPDFQA-FQEVSTJZSA-N 0 0 330.435 4.766 50 0 EJAARN Cc1ccc(C(=O)Nc2c(-c3ccccc3)nc3ccccn32)cc1 ZINC000003906485 210090425 /nfs/dbraw/zinc/09/04/25/210090425.db2.gz KGWNZSOESBLOCE-UHFFFAOYSA-N 0 0 327.387 4.562 50 0 EJAARN COc1ccc(-c2cn(-c3ccc(C)c(C)c3)c(=S)[nH]2)cc1OC ZINC000003906926 210090167 /nfs/dbraw/zinc/09/01/67/210090167.db2.gz CYEJFWAHOFLMCU-UHFFFAOYSA-N 0 0 340.448 4.836 50 0 EJAARN O=C(CCc1ccccc1)Nc1c(-c2cccs2)nc2ccccn21 ZINC000003906467 210090240 /nfs/dbraw/zinc/09/02/40/210090240.db2.gz NUHNQFRIKWMIBO-UHFFFAOYSA-N 0 0 347.443 4.634 50 0 EJAARN CCc1ccc([C@@H](NC(=O)CCc2nc3ccccc3[nH]2)C(C)C)cc1 ZINC000045777405 213754992 /nfs/dbraw/zinc/75/49/92/213754992.db2.gz WKCKVOWZFSSDOU-QFIPXVFZSA-N 0 0 349.478 4.571 50 0 EJAARN S=C(Nc1ccccc1Cl)N1CCCC[C@H]1c1cccnc1 ZINC000003893370 210085366 /nfs/dbraw/zinc/08/53/66/210085366.db2.gz QAODBNLDZKJGNJ-INIZCTEOSA-N 0 0 331.872 4.659 50 0 biogenic EJAARN Cc1nc2c(ccc3nc(NC(=O)c4cccc(C)c4)sc32)s1 ZINC000003893185 210084849 /nfs/dbraw/zinc/08/48/49/210084849.db2.gz ZASKLEZMDLGGMF-UHFFFAOYSA-N 0 0 339.445 4.775 50 0 EJAARN Cc1nn(-c2ccc(F)cc2)c(N)c1-c1cccc(C(F)(F)F)c1 ZINC000003883284 210083725 /nfs/dbraw/zinc/08/37/25/210083725.db2.gz ODEUMXCRZXKWOL-UHFFFAOYSA-N 0 0 335.304 4.588 50 0 EJAARN O=C(Nc1cccc2cccnc21)c1cc(-c2ccc(Cl)cc2)on1 ZINC000014395295 201937026 /nfs/dbraw/zinc/93/70/26/201937026.db2.gz JMLWKKOWTJACLI-UHFFFAOYSA-N 0 0 349.777 4.796 50 0 EJAARN CCn1cc(CC[C@H](C)NC(=O)c2ccc(F)cc2)c2ccccc21 ZINC000003765547 210073160 /nfs/dbraw/zinc/07/31/60/210073160.db2.gz UFDHMGMQXJJYBE-HNNXBMFYSA-N 0 0 338.426 4.551 50 0 EJAARN FC(F)(F)c1cc(Br)cc(Br)c1Cl ZINC000066312885 215031860 /nfs/dbraw/zinc/03/18/60/215031860.db2.gz YPISBIZKLWHNPX-UHFFFAOYSA-N 0 0 338.348 4.884 50 0 EJAARN Cc1ccc([C@@H]2CCN(C(=S)Nc3ccc(F)c(Cl)c3)C2)cc1 ZINC000003588609 210058685 /nfs/dbraw/zinc/05/86/85/210058685.db2.gz RKQOMUGIHDNTNT-CQSZACIVSA-N 0 0 348.874 4.974 50 0 EJAARN Cc1ccc2nc(NC(=O)c3cc(F)c(F)cc3Cl)sc2c1 ZINC000003592181 210060693 /nfs/dbraw/zinc/06/06/93/210060693.db2.gz CRTADXOPRYGFNJ-UHFFFAOYSA-N 0 0 338.766 4.789 50 0 EJAARN COc1ccc([C@H]2CC(=O)C3C=Nc4ccccc4N=C3C2)c(OC)c1 ZINC000102581060 219210852 /nfs/dbraw/zinc/21/08/52/219210852.db2.gz VLPVHJQOIHHFRN-CYBMUJFWSA-N 0 0 348.402 4.882 50 0 EJAARN CCOc1ccc2nc(NC(=S)Nc3ccccc3)sc2c1 ZINC000003468727 210047758 /nfs/dbraw/zinc/04/77/58/210047758.db2.gz XWTHFARYIFHYHK-UHFFFAOYSA-N 0 0 329.450 4.504 50 0 EJAARN COc1ccc(NC(=O)Cc2c(Cl)cccc2Cl)cc1Cl ZINC000003472286 210048708 /nfs/dbraw/zinc/04/87/08/210048708.db2.gz YSPNQBDSNPNWKF-UHFFFAOYSA-N 0 0 344.625 4.837 50 0 EJAARN Cc1ccc(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1C ZINC000003458500 210045787 /nfs/dbraw/zinc/04/57/87/210045787.db2.gz LAKXIMYBMZAEKY-UHFFFAOYSA-N 0 0 339.769 4.739 50 0 EJAARN COc1cc(NC(=O)c2oc3ccccc3c2C)c(OC)cc1Cl ZINC000003459111 210045303 /nfs/dbraw/zinc/04/53/03/210045303.db2.gz YDEXTBALKXXUFF-UHFFFAOYSA-N 0 0 345.782 4.664 50 0 EJAARN CC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 ZINC000003462581 210047112 /nfs/dbraw/zinc/04/71/12/210047112.db2.gz CFPOBDXKSHVRFO-YCRREMRBSA-N 0 0 349.217 4.604 50 0 EJAARN O=C(C1CCCC1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000014629510 201939803 /nfs/dbraw/zinc/93/98/03/201939803.db2.gz AKFRWWHIGOAHAV-UHFFFAOYSA-N 0 0 340.492 4.745 50 0 EJAARN CC(=O)Nc1ccc(-c2csc(N[C@H](C)c3ccccc3)n2)cc1 ZINC000003440719 210040767 /nfs/dbraw/zinc/04/07/67/210040767.db2.gz PYUSLOCISDOIAI-CYBMUJFWSA-N 0 0 337.448 4.942 50 0 EJAARN O=C(CSc1ccccc1F)Nc1nc(-c2ccccc2)cs1 ZINC000003439734 210040112 /nfs/dbraw/zinc/04/01/12/210040112.db2.gz RVWLWIVBKQJRKZ-UHFFFAOYSA-N 0 0 344.436 4.680 50 0 EJAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc2ccccc2n1 ZINC000003440456 210039838 /nfs/dbraw/zinc/03/98/38/210039838.db2.gz BPEAIBIBFRRSIT-UHFFFAOYSA-N 0 0 344.336 4.526 50 0 EJAARN COc1ccccc1NC(=O)Nc1ccccc1Cc1ccccc1 ZINC000003434482 210038901 /nfs/dbraw/zinc/03/89/01/210038901.db2.gz OPRVVJIKBXMKFC-UHFFFAOYSA-N 0 0 332.403 4.930 50 0 EJAARN Cc1nc(N[C@@H](C)c2ccccc2)sc1C(=O)Nc1ccccc1 ZINC000003431515 210037591 /nfs/dbraw/zinc/03/75/91/210037591.db2.gz SJSFWGSDXSCXNK-ZDUSSCGKSA-N 0 0 337.448 4.877 50 0 EJAARN O=C(CNc1cccc(C(F)(F)F)c1)Nc1cccc2ccccc21 ZINC000003427269 210036619 /nfs/dbraw/zinc/03/66/19/210036619.db2.gz LFEHHROXROFJDA-UHFFFAOYSA-N 0 0 344.336 4.909 50 0 EJAARN COC(=O)c1ccc(CSc2nc3cc(Cl)ccc3s2)o1 ZINC000003423384 210036638 /nfs/dbraw/zinc/03/66/38/210036638.db2.gz VYYBGLNCXKXGQF-UHFFFAOYSA-N 0 0 339.825 4.622 50 0 EJAARN O=C1CCCC2=Nc3nc4ccccc4n3[C@H](c3ccc(F)cc3)C12 ZINC000102680295 219221674 /nfs/dbraw/zinc/22/16/74/219221674.db2.gz BJFUKEZQCKEFGU-LJQANCHMSA-N 0 0 333.366 4.847 50 0 EJAARN O=C(CNc1cccc(Cl)c1)Nc1cccc(Cl)c1Cl ZINC000003411331 210031725 /nfs/dbraw/zinc/03/17/25/210031725.db2.gz NSRXBXLUAVDGTB-UHFFFAOYSA-N 0 0 329.614 4.697 50 0 EJAARN CN(Cc1cccc(Cl)c1)C(=O)COc1ccc2ccccc2c1 ZINC000003403084 210027864 /nfs/dbraw/zinc/02/78/64/210027864.db2.gz PZEHOHKPFIEREQ-UHFFFAOYSA-N 0 0 339.822 4.531 50 0 EJAARN Cc1noc2c1[C@H](c1cccc(F)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000102736676 219226731 /nfs/dbraw/zinc/22/67/31/219226731.db2.gz AMJSWTWOXLZYPP-INIZCTEOSA-N 0 0 326.371 4.972 50 0 EJAARN CCc1nc2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2nc1CC ZINC000003383268 210024383 /nfs/dbraw/zinc/02/43/83/210024383.db2.gz LRSIFFDZGAMCQS-UHFFFAOYSA-N 0 0 347.462 4.932 50 0 EJAARN CC(=O)c1cc(F)ccc1Oc1nc(C)nc2sc(C)c(C)c21 ZINC000003358668 210017792 /nfs/dbraw/zinc/01/77/92/210017792.db2.gz HHSVHQULMQHGKH-UHFFFAOYSA-N 0 0 330.384 4.751 50 0 EJAARN CCOc1ccc(CN(C)C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000003359253 210017612 /nfs/dbraw/zinc/01/76/12/210017612.db2.gz YENBFQANSGHHDE-UHFFFAOYSA-N 0 0 332.831 4.711 50 0 EJAARN FC(F)Oc1ccccc1NC(=S)Nc1ccccc1Cl ZINC000003347635 210014534 /nfs/dbraw/zinc/01/45/34/210014534.db2.gz PQQKOWLBWJVSLI-UHFFFAOYSA-N 0 0 328.771 4.750 50 0 EJAARN O=C(COc1ccc(F)cc1Cl)Nc1ccc(C(F)(F)F)cc1 ZINC000003343910 210013301 /nfs/dbraw/zinc/01/33/01/210013301.db2.gz AYQVPNDYQUXILN-UHFFFAOYSA-N 0 0 347.695 4.515 50 0 EJAARN Cc1csc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)n1 ZINC000003336540 210011129 /nfs/dbraw/zinc/01/11/29/210011129.db2.gz QFQBMUNOLUSFJN-UHFFFAOYSA-N 0 0 347.292 4.630 50 0 EJAARN Cc1sc2[nH]c([C@H](C)Sc3ccccc3F)nc(=O)c2c1C ZINC000003334912 210010284 /nfs/dbraw/zinc/01/02/84/210010284.db2.gz RGLITQLRERKDRO-JTQLQIEISA-N 0 0 334.441 4.594 50 0 EJAARN O=C(CSc1cc(Cl)ccc1Cl)N1CCc2ccccc21 ZINC000003329370 210009935 /nfs/dbraw/zinc/00/99/35/210009935.db2.gz SPNMBASVFMDEHV-UHFFFAOYSA-N 0 0 338.259 4.675 50 0 EJAARN CC(C)CCNC(=O)Cn1c(-c2cccs2)cc2ccccc21 ZINC000015679520 201960302 /nfs/dbraw/zinc/96/03/02/201960302.db2.gz WNLQEOYIQNESSG-UHFFFAOYSA-N 0 0 326.465 4.532 50 0 EJAARN O=C(Cc1cccs1)Oc1ccc2cc(Br)ccc2c1 ZINC000003305286 210002153 /nfs/dbraw/zinc/00/21/53/210002153.db2.gz UOELTQJSXGAVIW-UHFFFAOYSA-N 0 0 347.233 4.812 50 0 EJAARN CCCn1c(SCc2ccc(C)c(C)c2)nc2ccccc2c1=O ZINC000067258665 215128611 /nfs/dbraw/zinc/12/86/11/215128611.db2.gz YJMBFMDIVAUJON-UHFFFAOYSA-N 0 0 338.476 4.716 50 0 EJAARN CCCCCn1c(SCc2ccccc2)nc2ccccc2c1=O ZINC000067258986 215128974 /nfs/dbraw/zinc/12/89/74/215128974.db2.gz JYIDOCGZDNIAJC-UHFFFAOYSA-N 0 0 338.476 4.879 50 0 EJAARN COc1cccc(NC(=O)/C=C/c2cc3cc(Cl)ccc3o2)c1 ZINC000067340016 215134581 /nfs/dbraw/zinc/13/45/81/215134581.db2.gz GJVPLCSQAIGKOU-SOFGYWHQSA-N 0 0 327.767 4.747 50 0 EJAARN Cc1c(-c2nc(-c3ccccc3)cs2)nnn1-c1ccc(C)c(C)c1 ZINC000067341691 215134655 /nfs/dbraw/zinc/13/46/55/215134655.db2.gz IQEAJXCLSNIUBM-UHFFFAOYSA-N 0 0 346.459 4.983 50 0 EJAARN O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)c1cccs1 ZINC000003272646 209995144 /nfs/dbraw/zinc/99/51/44/209995144.db2.gz PHEWYOGBDHQGOP-UHFFFAOYSA-N 0 0 338.384 4.580 50 0 EJAARN O=c1nc(SCc2ccccc2)c2c(n1C1CCCCC1)CCC2 ZINC000015840342 201965809 /nfs/dbraw/zinc/96/58/09/201965809.db2.gz FUQLOKZGRQLROZ-UHFFFAOYSA-N 0 0 340.492 4.530 50 0 EJAARN C[C@H](Cc1cccs1)NC(=O)c1cccc(Oc2ccccc2)c1 ZINC000003211550 209977843 /nfs/dbraw/zinc/97/78/43/209977843.db2.gz DGHUTUBPJDEDLQ-OAHLLOKOSA-N 0 0 337.444 4.901 50 0 EJAARN COc1ccc(/C=C\c2ccnc3c(-c4ccccc4)c(C)nn32)cc1 ZINC000067630557 215170637 /nfs/dbraw/zinc/17/06/37/215170637.db2.gz GVLXRPLZHNRBLN-FLIBITNWSA-N 0 0 341.414 4.884 50 0 EJAARN CCCCN(C)c1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn21 ZINC000003059437 209959310 /nfs/dbraw/zinc/95/93/10/209959310.db2.gz HWVBFUJMGVXLMT-UHFFFAOYSA-N 0 0 342.874 4.903 50 0 EJAARN O=C(CC(=O)c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003037964 209956353 /nfs/dbraw/zinc/95/63/53/209956353.db2.gz YTCWZYBBDZOIDX-UHFFFAOYSA-N 0 0 341.716 4.570 50 0 EJAARN C[C@H](c1cccc(-c2ccc(Cl)c(C(=O)[O-])c2)c1)[NH+]1CCCC1 ZINC000067713123 215191246 /nfs/dbraw/zinc/19/12/46/215191246.db2.gz LMVQOJVJFHAFFB-CYBMUJFWSA-N 0 0 329.827 4.862 50 0 EJAARN C[C@@H](c1cccc(-c2ccc(Cl)c(C(=O)[O-])c2)c1)[NH+]1CCCC1 ZINC000067713122 215191342 /nfs/dbraw/zinc/19/13/42/215191342.db2.gz LMVQOJVJFHAFFB-ZDUSSCGKSA-N 0 0 329.827 4.862 50 0 EJAARN CC(C)[C@H](c1ccccn1)n1cnc(-c2ccccc2)c1-c1ncc[nH]1 ZINC000067714058 215192686 /nfs/dbraw/zinc/19/26/86/215192686.db2.gz GIYHDXUFUZIWGE-LJQANCHMSA-N 0 0 343.434 4.581 50 0 EJAARN CC(C)c1ccccc1NC(=O)c1ccc(-c2ccccc2CO)o1 ZINC000067714845 215193928 /nfs/dbraw/zinc/19/39/28/215193928.db2.gz AGDXXERKLORFAM-UHFFFAOYSA-N 0 0 335.403 4.815 50 0 EJAARN COc1cc(C=O)ccc1OCCCCOc1cccc(C(C)C)c1 ZINC000002984819 209950079 /nfs/dbraw/zinc/95/00/79/209950079.db2.gz QGWNIAGJVIQQNN-UHFFFAOYSA-N 0 0 342.435 4.869 50 0 EJAARN Cc1n[nH]c(C)c1CCCn1cnc(-c2ccccc2)c1-c1ccoc1 ZINC000067790647 215213073 /nfs/dbraw/zinc/21/30/73/215213073.db2.gz MVDHUSNJBYJDIY-UHFFFAOYSA-N 0 0 346.434 4.783 50 0 EJAARN O=C(Nc1ccccc1Cl)[C@]1(c2ccccc2)CC1(Cl)Cl ZINC000002924616 209941497 /nfs/dbraw/zinc/94/14/97/209941497.db2.gz KYQQNZSTHWBUBL-OAHLLOKOSA-N 0 0 340.637 4.794 50 0 EJAARN CC(C)c1ccc([C@H]2C[C@H](c3ccccc3F)n3ncnc3N2)cc1 ZINC000002919356 209942322 /nfs/dbraw/zinc/94/23/22/209942322.db2.gz DMBFUBXVFKVCHG-RTBURBONSA-N 0 0 336.414 4.687 50 0 EJAARN Cc1ncc(C)c(NCc2cccnc2Oc2c(C)cccc2C)n1 ZINC000067818532 215219801 /nfs/dbraw/zinc/21/98/01/215219801.db2.gz BKCQNCJKSYDIKP-UHFFFAOYSA-N 0 0 334.423 4.510 50 0 EJAARN O=C(Nc1ccc(Cl)c(Cl)c1)OCCOc1ccccc1 ZINC000002893383 209938216 /nfs/dbraw/zinc/93/82/16/209938216.db2.gz SFMZMGIXWINPLS-UHFFFAOYSA-N 0 0 326.179 4.621 50 0 EJAARN COc1cccc(OCCCCCCOc2cccc(OC)c2)c1 ZINC000002880318 209935295 /nfs/dbraw/zinc/93/52/95/209935295.db2.gz MRVUOCXQEUNISW-UHFFFAOYSA-N 0 0 330.424 4.722 50 0 EJAARN O=C(NC12CC3CC(CC(C3)C1)C2)C1(c2ccc(Cl)cc2)CCC1 ZINC000016021592 201970568 /nfs/dbraw/zinc/97/05/68/201970568.db2.gz YIWQUTDVCPKKEZ-UHFFFAOYSA-N 0 0 343.898 4.847 50 0 EJAARN CCOc1ccc([C@@H](C)NC(=S)Nc2ccccc2OCC)cc1 ZINC000002856992 209928599 /nfs/dbraw/zinc/92/85/99/209928599.db2.gz SZUQBRDCFJBCHG-CQSZACIVSA-N 0 0 344.480 4.532 50 0 EJAARN Cc1ccccc1Oc1ncccc1CNc1cnc2ccccc2n1 ZINC000067880002 215239185 /nfs/dbraw/zinc/23/91/85/215239185.db2.gz VLQZSHHFVIAVFL-UHFFFAOYSA-N 0 0 342.402 4.738 50 0 EJAARN O=C(NCCc1ccc(F)cc1)c1sc2ccccc2c1Cl ZINC000002826941 209924473 /nfs/dbraw/zinc/92/44/73/209924473.db2.gz AWUFDUFVQZQUIX-UHFFFAOYSA-N 0 0 333.815 4.666 50 0 EJAARN CSc1ccc(C)c(C(=O)Nc2ccc(NC(C)=O)cc2Cl)c1 ZINC000067943734 215254489 /nfs/dbraw/zinc/25/44/89/215254489.db2.gz FXMZCYPHMVSJQZ-UHFFFAOYSA-N 0 0 348.855 4.581 50 0 EJAARN CCOc1ccc2nc(NC(=O)c3ccc(Cl)cc3)sc2c1 ZINC000017027933 201982910 /nfs/dbraw/zinc/98/29/10/201982910.db2.gz JDDFBTBGQXKWDE-UHFFFAOYSA-N 0 0 332.812 4.601 50 0 EJAARN O=C(CCCOc1ccc(Cl)cc1Cl)n1cnc2ccccc21 ZINC000002779467 209909730 /nfs/dbraw/zinc/90/97/30/209909730.db2.gz GZWZSZSNIQSADQ-UHFFFAOYSA-N 0 0 349.217 4.843 50 0 EJAARN COc1ccc(-c2nc3ccccc3c(C(=O)NCC(C)C)c2C)cc1 ZINC000002752391 209902545 /nfs/dbraw/zinc/90/25/45/209902545.db2.gz BPPWTGWHCQHWSB-UHFFFAOYSA-N 0 0 348.446 4.605 50 0 EJAARN C[C@H](NC(=O)c1csc2c1CC[C@@H](C(C)(C)C)C2)c1ccncc1 ZINC000002749588 209901816 /nfs/dbraw/zinc/90/18/16/209901816.db2.gz OJKKOMHCXGITHT-DZGCQCFKSA-N 0 0 342.508 4.785 50 0 EJAARN COc1ccccc1C(=O)Nc1nc2c(s1)c(Cl)ccc2C ZINC000002713958 209894193 /nfs/dbraw/zinc/89/41/93/209894193.db2.gz ONJLFZQILLNDAZ-UHFFFAOYSA-N 0 0 332.812 4.519 50 0 EJAARN COc1cccc(C2N(c3ccccc3)CCN2c2ccccc2)c1 ZINC000002696246 209891847 /nfs/dbraw/zinc/89/18/47/209891847.db2.gz WBLGYRFPRXTHGG-UHFFFAOYSA-N 0 0 330.431 4.721 50 0 EJAARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1 ZINC000103591649 219315945 /nfs/dbraw/zinc/31/59/45/219315945.db2.gz JGZZHZJZONSRAT-GOSISDBHSA-N 0 0 339.435 4.694 50 0 EJAARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(Cl)c2)N3)C1 ZINC000002492892 209858225 /nfs/dbraw/zinc/85/82/25/209858225.db2.gz UETJGRSSEKWJRT-RFAUZJTJSA-N 0 0 332.856 4.955 50 0 EJAARN CCc1ccc(Nc2ncc3c(n2)C[C@H](c2cccs2)CC3=O)cc1 ZINC000002426817 209848340 /nfs/dbraw/zinc/84/83/40/209848340.db2.gz WVSIXUZOJZPXGE-AWEZNQCLSA-N 0 0 349.459 4.757 50 0 EJAARN Cc1ccccc1C(=O)NN1c2ccccc2CCc2ccccc21 ZINC000068589066 215321719 /nfs/dbraw/zinc/32/17/19/215321719.db2.gz HBABVWFQNYTKBZ-UHFFFAOYSA-N 0 0 328.415 4.577 50 0 EJAARN CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1cc(C)ccc1C)CO3 ZINC000002124948 209822137 /nfs/dbraw/zinc/82/21/37/209822137.db2.gz CSGGXLPDYRUWBS-UHFFFAOYSA-N 0 0 349.430 4.637 50 0 biogenic EJAARN CCOc1ccc(OCCSc2nc3ccccc3s2)cc1 ZINC000002125304 209821957 /nfs/dbraw/zinc/82/19/57/209821957.db2.gz KTSFHQHWIHOTLC-UHFFFAOYSA-N 0 0 331.462 4.866 50 0 EJAARN Cc1ccc(N2COc3c(C)c4oc(=O)c(C)c(C)c4cc3C2)cc1C ZINC000002115893 209821230 /nfs/dbraw/zinc/82/12/30/209821230.db2.gz LKUJBCQBBDKIPJ-UHFFFAOYSA-N 0 0 349.430 4.692 50 0 biogenic EJAARN CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(C)cc1)CO3 ZINC000002113686 209820484 /nfs/dbraw/zinc/82/04/84/209820484.db2.gz SHHXQVBVOCDGKA-UHFFFAOYSA-N 0 0 349.430 4.719 50 0 biogenic EJAARN Cc1ncc(C(=O)N(c2cccc3cccnc32)C2CCCC2)s1 ZINC000069324012 215378112 /nfs/dbraw/zinc/37/81/12/215378112.db2.gz ASVQKHHBXUIDLY-UHFFFAOYSA-N 0 0 337.448 4.589 50 0 EJAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)N(C)[C@H](C)c1ccccc1 ZINC000069367209 215388672 /nfs/dbraw/zinc/38/86/72/215388672.db2.gz RTFSWXFWMBEBQZ-MRXNPFEDSA-N 0 0 348.450 4.714 50 0 EJAARN Cc1cc(C)n(-c2nc3ccccc3c(-c3ccc(Cl)cc3)n2)n1 ZINC000069374841 215392059 /nfs/dbraw/zinc/39/20/59/215392059.db2.gz GUEKNFPTNCLYQA-UHFFFAOYSA-N 0 0 334.810 4.753 50 0 EJAARN O=C(Cc1cccs1)Nc1ccc(SCc2cccnc2)cc1 ZINC000040477550 213314219 /nfs/dbraw/zinc/31/42/19/213314219.db2.gz FOWBOESAZNKMJR-UHFFFAOYSA-N 0 0 340.473 4.617 50 0 EJAARN COc1ccc(C(=O)[C@@H](Nc2ccccc2)c2ccc(OC)cc2)cc1 ZINC000001708058 209785319 /nfs/dbraw/zinc/78/53/19/209785319.db2.gz ORTUWVAVWIPHBH-NRFANRHFSA-N 0 0 347.414 4.740 50 0 EJAARN CN(Cc1c(F)cccc1Cl)C(=O)CCCc1cccs1 ZINC000040159551 213276120 /nfs/dbraw/zinc/27/61/20/213276120.db2.gz JCDVMXRVSAMPOJ-UHFFFAOYSA-N 0 0 325.836 4.522 50 0 EJAARN Cc1csc(Sc2ccc(NC(=O)N[C@@H](C)C(C)C)cc2)n1 ZINC000040158649 213275939 /nfs/dbraw/zinc/27/59/39/213275939.db2.gz FGHXBHOGWJASOB-LBPRGKRZSA-N 0 0 335.498 4.769 50 0 EJAARN COc1ccccc1-c1csc(NC(=O)c2ccccc2Cl)n1 ZINC000001511255 209755033 /nfs/dbraw/zinc/75/50/33/209755033.db2.gz NHGRWEQZKUOOTE-UHFFFAOYSA-N 0 0 344.823 4.724 50 0 EJAARN COc1ccc(C(C)=O)cc1CN([C@H](C)c1ccccc1F)C1CC1 ZINC000040155709 213274904 /nfs/dbraw/zinc/27/49/04/213274904.db2.gz FXORLEQATIVRSY-CQSZACIVSA-N 0 0 341.426 4.763 50 0 EJAARN Cc1ccc([C@H](NC(=O)Nc2ccccc2F)C(F)(F)F)cc1 ZINC000040153417 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O=C(Nc1ccc(SC(F)F)cc1)N(Cc1cccnc1)C1CC1 ZINC000069566852 215476384 /nfs/dbraw/zinc/47/63/84/215476384.db2.gz BPIQYDITIILQHK-UHFFFAOYSA-N 0 0 349.406 4.593 50 0 EJAARN CC(C)(C)c1ccc(NC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000040096430 213264076 /nfs/dbraw/zinc/26/40/76/213264076.db2.gz XWKHAIKIEFOFQM-ZDUSSCGKSA-N 0 0 328.378 4.790 50 0 EJAARN O=C(Nc1cccc(Cl)c1Cl)N1CCC[C@@H](C(F)(F)F)C1 ZINC000040097562 213264122 /nfs/dbraw/zinc/26/41/22/213264122.db2.gz HEVCLSUROIJJRA-MRVPVSSYSA-N 0 0 341.160 4.800 50 0 EJAARN O=C(c1csc(Cc2ccccc2)n1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000040090224 213262955 /nfs/dbraw/zinc/26/29/55/213262955.db2.gz NJPDXVIYKYCDOA-AEFFLSMTSA-N 0 0 340.492 4.529 50 0 EJAARN COc1ccc(F)cc1-c1csc(-c2ccc(NC(C)=O)cc2)n1 ZINC000040051924 213255875 /nfs/dbraw/zinc/25/58/75/213255875.db2.gz JEVSFQUDJQSLRX-UHFFFAOYSA-N 0 0 342.395 4.583 50 0 EJAARN CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(Cl)c(N)c1 ZINC000019736698 202016530 /nfs/dbraw/zinc/01/65/30/202016530.db2.gz 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ZINC000027795253 202160238 /nfs/dbraw/zinc/16/02/38/202160238.db2.gz BCXKAMSZQHMSBC-UHFFFAOYSA-N 0 0 341.794 4.789 50 0 EJAARN COc1nc(-c2ccccc2)ccc1-c1noc(-c2ccccc2C)n1 ZINC000000498600 209636472 /nfs/dbraw/zinc/63/64/72/209636472.db2.gz JTKPFUKFJXQTAE-UHFFFAOYSA-N 0 0 343.386 4.783 50 0 EJAARN C[C@]12CC[C@@H]3c4ccc(O)c(Br)c4CC[C@H]3[C@@H]1CCC2=O ZINC000027531091 202155837 /nfs/dbraw/zinc/15/58/37/202155837.db2.gz NQFVJAYQCZUYON-QDTBLXIISA-N 0 0 349.268 4.580 50 0 biogenic EJAARN CCOc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)cc1 ZINC000027583580 202157398 /nfs/dbraw/zinc/15/73/98/202157398.db2.gz PHLMDTXEPOFSHC-UHFFFAOYSA-N 0 0 336.391 4.609 50 0 EJAARN c1cnn(-c2ccc(CSc3nc(-c4ccccc4)c[nH]3)cc2)c1 ZINC000027660508 202158361 /nfs/dbraw/zinc/15/83/61/202158361.db2.gz IKPJYJBOEGTGIV-UHFFFAOYSA-N 0 0 332.432 4.555 50 0 EJAARN COc1ccc([C@@H]2CCCN2C(=O)c2cc3ccccc3s2)cc1 ZINC000040009508 202167171 /nfs/dbraw/zinc/16/71/71/202167171.db2.gz IWJYTFNAFPDCNO-KRWDZBQOSA-N 0 0 337.444 4.887 50 0 EJAARN O=C(c1cccs1)N(Cc1ccco1)Cc1c(F)cccc1Cl ZINC000028250910 202168081 /nfs/dbraw/zinc/16/80/81/202168081.db2.gz YOWRERCSYSRAFH-UHFFFAOYSA-N 0 0 349.814 4.976 50 0 EJAARN Cc1cccc(NC(=O)N(C)Cc2ccc(Br)cc2)c1C ZINC000040095349 202168211 /nfs/dbraw/zinc/16/82/11/202168211.db2.gz YJYBKVQVVGEFNV-UHFFFAOYSA-N 0 0 347.256 4.730 50 0 EJAARN Cc1csc(N(C(=O)Cc2noc3ccccc32)c2ccccc2)n1 ZINC000028243399 202168371 /nfs/dbraw/zinc/16/83/71/202168371.db2.gz IIYAEPHNTVNSGB-UHFFFAOYSA-N 0 0 349.415 4.500 50 0 EJAARN C[C@H](NC(=O)c1[nH]c2ccc(F)cc2c1Cl)c1ccccc1F ZINC000040144948 202178399 /nfs/dbraw/zinc/17/83/99/202178399.db2.gz KZMUPJFFVQBSIF-VIFPVBQESA-N 0 0 334.753 4.591 50 0 EJAARN CN(Cc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CCc2ccccc21 ZINC000029486838 202188472 /nfs/dbraw/zinc/18/84/72/202188472.db2.gz FZINIYDUDKRNLP-KRWDZBQOSA-N 0 0 339.826 4.509 50 0 EJAARN CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000030658023 202197312 /nfs/dbraw/zinc/19/73/12/202197312.db2.gz TXBYBRYEAODXJA-UHFFFAOYSA-N 0 0 341.414 4.502 50 0 EJAARN Cc1ccc(OCc2ccc(C(=O)Nc3cc(F)ccc3F)o2)cc1 ZINC000030811888 202199516 /nfs/dbraw/zinc/19/95/16/202199516.db2.gz BKYPAKRKIYUZDP-UHFFFAOYSA-N 0 0 343.329 4.698 50 0 EJAARN Cc1nc(C)c(C(=O)Nc2ccc(OCC(C)C)c(Cl)c2)s1 ZINC000030512150 202196236 /nfs/dbraw/zinc/19/62/36/202196236.db2.gz QIUQDTOXNLSLII-UHFFFAOYSA-N 0 0 338.860 4.700 50 0 EJAARN Cc1cc2c(cc(C(=O)N3CCCC3)n2Cc2ccc(C)cc2)s1 ZINC000037527097 213154628 /nfs/dbraw/zinc/15/46/28/213154628.db2.gz AAQCRDIYNCSIPU-UHFFFAOYSA-N 0 0 338.476 4.604 50 0 EJAARN CN(Cc1ccccc1)c1cc(Oc2ccc(F)cc2Cl)ncn1 ZINC000037377073 213143056 /nfs/dbraw/zinc/14/30/56/213143056.db2.gz AWCQCYAUWIRIMC-UHFFFAOYSA-N 0 0 343.789 4.698 50 0 EJAARN Cc1nc(C)c(-c2nnc(S[C@@H](C)c3ccc(F)cc3)o2)s1 ZINC000037163390 213134370 /nfs/dbraw/zinc/13/43/70/213134370.db2.gz QVTYCNFZIWKBQJ-VIFPVBQESA-N 0 0 335.429 4.802 50 0 EJAARN COc1ccccc1-c1cnc(OC(C)(C)C)nc1OC(C)(C)C ZINC000000481009 209627831 /nfs/dbraw/zinc/62/78/31/209627831.db2.gz DLCRJPDLYZCWED-UHFFFAOYSA-N 0 0 330.428 4.507 50 0 EJAARN Cc1nnc(NC(=O)c2cc3sc4ccccc4c3s2)s1 ZINC000037117604 213133238 /nfs/dbraw/zinc/13/32/38/213133238.db2.gz LTSFQMXQORRJLZ-UHFFFAOYSA-N 0 0 331.447 4.528 50 0 EJAARN CCSc1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)s1 ZINC000000475392 209624530 /nfs/dbraw/zinc/62/45/30/209624530.db2.gz PTCBZSYGQWAINK-UHFFFAOYSA-N 0 0 341.461 4.569 50 0 EJAARN C[C@H](OC(=O)c1ccccc1NC(=O)c1ccccc1)c1ccccc1 ZINC000000472141 209623952 /nfs/dbraw/zinc/62/39/52/209623952.db2.gz UKYHTWPFVILLSJ-INIZCTEOSA-N 0 0 345.398 4.857 50 0 EJAARN Cc1cc(Br)c(NC(=O)[C@@H](C)c2ccccc2)cc1C ZINC000000476050 209625500 /nfs/dbraw/zinc/62/55/00/209625500.db2.gz CIRQQYLHGFBIBW-ZDUSSCGKSA-N 0 0 332.241 4.808 50 0 EJAARN Cc1cc(NC(=O)c2cccs2)ccc1NC(=O)c1ccccc1 ZINC000000469906 209621047 /nfs/dbraw/zinc/62/10/47/209621047.db2.gz AAHJNWQDGWFFKI-UHFFFAOYSA-N 0 0 336.416 4.561 50 0 EJAARN Cc1cc(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)c(C)s1 ZINC000036697725 213111468 /nfs/dbraw/zinc/11/14/68/213111468.db2.gz JAEROQYIJXUUTR-AWEZNQCLSA-N 0 0 337.897 4.985 50 0 EJAARN Cc1ccc2c(CC(=O)N(C)Cc3ccc(F)cc3F)coc2c1C ZINC000036705530 213110508 /nfs/dbraw/zinc/11/05/08/213110508.db2.gz WFEFPVGAFLEBBJ-UHFFFAOYSA-N 0 0 343.373 4.529 50 0 EJAARN CCCc1cc(=O)oc2c(C)c(OCc3ccccc3F)ccc12 ZINC000000453840 209610238 /nfs/dbraw/zinc/61/02/38/209610238.db2.gz WQBYFRIWLJYRTN-UHFFFAOYSA-N 0 0 326.367 4.772 50 0 EJAARN COc1ccc(CCCC(=O)Nc2ccc(C)c(Cl)c2)c(C)c1 ZINC000000453997 209610373 /nfs/dbraw/zinc/61/03/73/209610373.db2.gz KTTBQKTZCXVQND-UHFFFAOYSA-N 0 0 331.843 4.927 50 0 EJAARN CSc1nc2ccc(NC(=O)c3c[nH]c4ccccc43)cc2s1 ZINC000036649528 213107543 /nfs/dbraw/zinc/10/75/43/213107543.db2.gz XSQYBTURQKQFKC-UHFFFAOYSA-N 0 0 339.445 4.752 50 0 EJAARN O=C(c1cc(F)c(F)cc1Cl)N1CCC[C@@H]1c1ccccc1F ZINC000036620667 213105228 /nfs/dbraw/zinc/10/52/28/213105228.db2.gz HZFDWWNZBOUGJE-MRXNPFEDSA-N 0 0 339.744 4.735 50 0 EJAARN Cc1ccc(-c2noc3nc(C)cc(C(=O)N4CCCCCC4)c32)cc1 ZINC000036618507 213103366 /nfs/dbraw/zinc/10/33/66/213103366.db2.gz GKQOYKZDZLWCHW-UHFFFAOYSA-N 0 0 349.434 4.523 50 0 EJAARN CC(C)(C)c1ccc(C(=O)Nc2ccccc2Br)cc1 ZINC000000449933 209606821 /nfs/dbraw/zinc/60/68/21/209606821.db2.gz UQUBHCBHXJYVMB-UHFFFAOYSA-N 0 0 332.241 4.999 50 0 EJAARN O=C1C[C@H](c2cccc(F)c2)c2snc(-c3cccc(F)c3)c2N1 ZINC000036559068 213099698 /nfs/dbraw/zinc/09/96/98/213099698.db2.gz XCAGXLBKJGDPSR-CQSZACIVSA-N 0 0 342.370 4.562 50 0 EJAARN O=C1C[C@@H](c2cccc(F)c2)c2snc(-c3cccc(F)c3)c2N1 ZINC000036559067 213099599 /nfs/dbraw/zinc/09/95/99/213099599.db2.gz XCAGXLBKJGDPSR-AWEZNQCLSA-N 0 0 342.370 4.562 50 0 EJAARN CCOC(=O)c1ccc(N(C(=O)c2ccccc2)c2ccccc2)cc1 ZINC000036381145 213091877 /nfs/dbraw/zinc/09/18/77/213091877.db2.gz BIOISUFAQQXNJV-UHFFFAOYSA-N 0 0 345.398 4.842 50 0 EJAARN COc1cccc(NC(=O)c2cc3occc3n2Cc2ccccc2)c1 ZINC000036366789 213090628 /nfs/dbraw/zinc/09/06/28/213090628.db2.gz RJHLRKKPCYRLJY-UHFFFAOYSA-N 0 0 346.386 4.544 50 0 EJAARN Nc1c(-c2ccncc2)sc2nc(C3CC3)cc(C(F)(F)F)c12 ZINC000036360136 213090090 /nfs/dbraw/zinc/09/00/90/213090090.db2.gz SOCNAELMMYFAKR-UHFFFAOYSA-N 0 0 335.354 4.837 50 0 EJAARN O=C1C[C@@H](c2ccsc2)c2ncn(-c3ccc(Cl)cc3)c2N1 ZINC000036360353 213089662 /nfs/dbraw/zinc/08/96/62/213089662.db2.gz NSCSXVUKEXGTRK-ZDUSSCGKSA-N 0 0 329.812 4.711 50 0 EJAARN COc1ccc(NC(=O)c2cncc(-c3cc(C)ccc3C)c2)cc1 ZINC000036346951 213085384 /nfs/dbraw/zinc/08/53/84/213085384.db2.gz GIHZGJKWEWGUIO-UHFFFAOYSA-N 0 0 332.403 4.626 50 0 EJAARN Cc1ccc2nsnc2c1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000000444172 209604661 /nfs/dbraw/zinc/60/46/61/209604661.db2.gz WOPONSKGZBYRRZ-UHFFFAOYSA-N 0 0 345.427 4.919 50 0 EJAARN FC(F)(F)c1cc(-c2ccccc2)nc(SCc2ccccn2)n1 ZINC000036242345 213078200 /nfs/dbraw/zinc/07/82/00/213078200.db2.gz NZWIISXDFVGWFE-UHFFFAOYSA-N 0 0 347.365 4.850 50 0 EJAARN CC(=O)N(Cc1csc(COc2ccccc2C(C)C)n1)C(C)C ZINC000036104959 213069328 /nfs/dbraw/zinc/06/93/28/213069328.db2.gz KSISXXIYPYABCO-UHFFFAOYSA-N 0 0 346.496 4.602 50 0 EJAARN CC(C)CC(=O)N(Cc1cc(-c2ccccc2)on1)Cc1ccccc1 ZINC000036004535 213054909 /nfs/dbraw/zinc/05/49/09/213054909.db2.gz VBIBOYBOAXKHBS-UHFFFAOYSA-N 0 0 348.446 4.917 50 0 EJAARN C/C=C\Cn1c(C(=O)NCc2ccccc2)cc2c1cccc2OCC ZINC000035927902 213051763 /nfs/dbraw/zinc/05/17/63/213051763.db2.gz USQQTCLJKRYBFV-HYXAFXHYSA-N 0 0 348.446 4.546 50 0 EJAARN COc1cccc(Nc2c(-c3ccc(O)cc3)nc3cccc(C)n32)c1 ZINC000035616216 213043133 /nfs/dbraw/zinc/04/31/33/213043133.db2.gz HEWIUDYLONAFSI-UHFFFAOYSA-N 0 0 345.402 4.768 50 0 EJAARN CC[C@@](C)(Nc1ccc(C)cc1C)c1nnnn1-c1c(C)cccc1C ZINC000035622506 213042646 /nfs/dbraw/zinc/04/26/46/213042646.db2.gz RIYYUZKSJXXOIO-OAQYLSRUSA-N 0 0 349.482 4.633 50 0 EJAARN Cc1noc(-c2ccc(Cl)cc2)c1C(=O)N[C@@H](C)c1ccccc1 ZINC000035681748 213045751 /nfs/dbraw/zinc/04/57/51/213045751.db2.gz PLBZJYGHOLOXEG-LBPRGKRZSA-N 0 0 340.810 4.794 50 0 EJAARN Cc1noc(-c2ccc(Cl)cc2)c1C(=O)Nc1ccccc1F ZINC000035673296 213045047 /nfs/dbraw/zinc/04/50/47/213045047.db2.gz VCYZQMRRMGJJDT-UHFFFAOYSA-N 0 0 330.746 4.695 50 0 EJAARN Cc1cccc([C@H]2CCCCCN2C(=O)NCCc2ccccc2)c1 ZINC000035561774 213038985 /nfs/dbraw/zinc/03/89/85/213038985.db2.gz NZEFOBHFIHCTIK-OAQYLSRUSA-N 0 0 336.479 4.864 50 0 EJAARN Cc1nc(-c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)no1 ZINC000035539481 213037869 /nfs/dbraw/zinc/03/78/69/213037869.db2.gz IVWIXSXHXMFUIW-UHFFFAOYSA-N 0 0 335.407 4.595 50 0 EJAARN Cc1ccc([C@H](C)NC(=O)c2ccc(-c3ccc(F)cc3)nc2)cc1 ZINC000035514784 213035297 /nfs/dbraw/zinc/03/52/97/213035297.db2.gz SFECJANOPDHTSS-HNNXBMFYSA-N 0 0 334.394 4.687 50 0 EJAARN COC(=O)c1c(N[C@@H]2CCCc3ccccc32)onc1-c1ccccc1 ZINC000035510025 213034733 /nfs/dbraw/zinc/03/47/33/213034733.db2.gz DXUGVOLUPKBFMW-QGZVFWFLSA-N 0 0 348.402 4.618 50 0 EJAARN COc1cc(-c2ccc(Cl)cc2)nc2ccc(NC(C)=O)cc21 ZINC000035536972 213036189 /nfs/dbraw/zinc/03/61/89/213036189.db2.gz GSJXXSLPEJFUQO-UHFFFAOYSA-N 0 0 326.783 4.522 50 0 EJAARN CN(c1ccc(-c2nc(-c3ccccc3)no2)cn1)C1CCCCC1 ZINC000035527570 213036326 /nfs/dbraw/zinc/03/63/26/213036326.db2.gz FKMXPDVHLVYLFC-UHFFFAOYSA-N 0 0 334.423 4.568 50 0 EJAARN CC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 ZINC000000434470 209598485 /nfs/dbraw/zinc/59/84/85/209598485.db2.gz QRUAMGWAMPHWFH-LBPRGKRZSA-N 0 0 333.840 4.662 50 0 EJAARN O=C1CS[C@@H](c2cc3c(c(Cl)c2)OCO3)c2sccc2N1 ZINC000071279881 215750899 /nfs/dbraw/zinc/75/08/99/215750899.db2.gz XNEXYGIFQQIDGA-ZDUSSCGKSA-N 0 0 339.825 4.554 50 0 EJAARN C[C@@H](Nc1ncnc2ccccc21)c1ccc(OC(F)(F)F)cc1 ZINC000032816987 202236196 /nfs/dbraw/zinc/23/61/96/202236196.db2.gz OVWHRZGXXIOKRA-LLVKDONJSA-N 0 0 333.313 4.702 50 0 EJAARN Cc1cc(C(=O)CCC(=O)Nc2nc3ccccc3s2)c(C)s1 ZINC000032855832 202238850 /nfs/dbraw/zinc/23/88/50/202238850.db2.gz LJZKIJPFVHISLR-UHFFFAOYSA-N 0 0 344.461 4.576 50 0 EJAARN COc1ccc(N(Cc2cccs2)C(=O)c2cc(C)oc2C)cc1 ZINC000032678616 202230160 /nfs/dbraw/zinc/23/01/60/202230160.db2.gz YIKDACAXRJBPBC-UHFFFAOYSA-N 0 0 341.432 4.814 50 0 EJAARN Cc1nc(C)c(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)s1 ZINC000032678712 202230490 /nfs/dbraw/zinc/23/04/90/202230490.db2.gz PGAOXYDSAWWOEZ-UHFFFAOYSA-N 0 0 348.431 4.556 50 0 EJAARN O=C1O/C(=C\c2cccnc2)C(c2cccs2)=C1c1cccs1 ZINC000032639082 202230512 /nfs/dbraw/zinc/23/05/12/202230512.db2.gz ZQGFXUDSPAHUEL-RAXLEYEMSA-N 0 0 337.425 4.713 50 0 EJAARN Cc1ccc(-c2ocnc2C(=O)Nc2ccccc2C(F)(F)F)o1 ZINC000033049029 202247996 /nfs/dbraw/zinc/24/79/96/202247996.db2.gz WQZZHOZCTMWVFU-UHFFFAOYSA-N 0 0 336.269 4.514 50 0 EJAARN Fc1ccc(-c2csc3ncnc(NCc4nccs4)c23)cc1 ZINC000032935559 202244051 /nfs/dbraw/zinc/24/40/51/202244051.db2.gz JVZUNUMDYSYIBA-UHFFFAOYSA-N 0 0 342.424 4.566 50 0 EJAARN Cc1ccc(Nc2nc(N)c(C(=O)c3ccc(C)cc3C)s2)cc1 ZINC000032947566 202244376 /nfs/dbraw/zinc/24/43/76/202244376.db2.gz UZTUOYUEMZYHHL-UHFFFAOYSA-N 0 0 337.448 4.625 50 0 EJAARN CCc1nc(-c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)no1 ZINC000033254223 202252741 /nfs/dbraw/zinc/25/27/41/202252741.db2.gz XGCCTYUQKJMPDD-UHFFFAOYSA-N 0 0 341.798 4.513 50 0 EJAARN CCc1nc(-c2ccc(NC(=O)Nc3ccccc3Cl)cc2)no1 ZINC000033257290 202254513 /nfs/dbraw/zinc/25/45/13/202254513.db2.gz VQJNUWIRRWUJOP-UHFFFAOYSA-N 0 0 342.786 4.596 50 0 EJAARN CCCc1nc(-c2cc3cc(C)ccc3nc2NC2CCCC2)no1 ZINC000033331465 202258290 /nfs/dbraw/zinc/25/82/90/202258290.db2.gz XTBUBQXPZITBKG-UHFFFAOYSA-N 0 0 336.439 4.900 50 0 EJAARN Cc1ccc(-c2ncccc2C(=O)Nc2cc(F)ccc2F)s1 ZINC000033139073 202251160 /nfs/dbraw/zinc/25/11/60/202251160.db2.gz NUCDMGJLEYWHBW-UHFFFAOYSA-N 0 0 330.359 4.649 50 0 EJAARN CCc1[nH]nc(-c2ccc(Cl)cc2)c1NC(=O)C1CCCCC1 ZINC000034794274 212988049 /nfs/dbraw/zinc/98/80/49/212988049.db2.gz FJCNKBXSXZVQDV-UHFFFAOYSA-N 0 0 331.847 4.811 50 0 EJAARN Cc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1NC(=O)c1ccccc1 ZINC000034795436 212987055 /nfs/dbraw/zinc/98/70/55/212987055.db2.gz IGQCELWGZDHUIP-UHFFFAOYSA-N 0 0 345.324 4.656 50 0 EJAARN CSc1nc2ccc(NC(=O)/C=C\c3ccc(C)o3)cc2s1 ZINC000033647713 212957737 /nfs/dbraw/zinc/95/77/37/212957737.db2.gz AYPKOJXVUJYVLT-VURMDHGXSA-N 0 0 330.434 4.572 50 0 EJAARN CCCC[C@@H](CC)CNC(=O)/C=C\c1ccc(Br)cc1 ZINC000033455694 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50 0 EJAARN CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@](C)(O)[C@H](O)CO ZINC000209935018 201102155 /nfs/dbraw/zinc/10/21/55/201102155.db2.gz CGIHFIDULQUVJG-VNTMZGSJSA-N 0 0 330.553 4.530 50 0 in-vitro EJAARN C[C@H](Sc1ncnc2ccsc21)c1nc(-c2cccs2)no1 ZINC000026118046 212506935 /nfs/dbraw/zinc/50/69/35/212506935.db2.gz SOEJURBIZQPHOQ-QMMMGPOBSA-N 0 0 346.462 4.656 50 0 EJAARN Cc1ccc([C@H](NC(=O)c2ccncc2Cl)c2ccccc2)cc1 ZINC000073009171 216340293 /nfs/dbraw/zinc/34/02/93/216340293.db2.gz JZJILOQWCMFREO-LJQANCHMSA-N 0 0 336.822 4.563 50 0 EJAARN Fc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccco3)=NN21 ZINC000025762883 212496581 /nfs/dbraw/zinc/49/65/81/212496581.db2.gz ZOVRBHYAISZQDK-FXAWDEMLSA-N 0 0 334.350 4.661 50 0 EJAARN C[C@H](c1ccccc1)N(C)C(=O)c1ccc(COc2ccccc2)o1 ZINC000025613982 212490965 /nfs/dbraw/zinc/49/09/65/212490965.db2.gz PCRHAMNFDKZCRT-MRXNPFEDSA-N 0 0 335.403 4.692 50 0 EJAARN COc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccco3)=NN21 ZINC000025559827 212487767 /nfs/dbraw/zinc/48/77/67/212487767.db2.gz VDKTYIPSFHXBCZ-DYESRHJHSA-N 0 0 346.386 4.531 50 0 EJAARN Cc1c2ccccc2oc1C(=O)N[C@H](C)c1ccccc1OC(F)F ZINC000025295775 212470916 /nfs/dbraw/zinc/47/09/16/212470916.db2.gz WOKMTPXKCCHVQR-GFCCVEGCSA-N 0 0 345.345 4.834 50 0 EJAARN Cc1cc2cc(NC(=O)CCOc3cccc(Cl)c3)ccc2[nH]1 ZINC000025129266 212461090 /nfs/dbraw/zinc/46/10/90/212461090.db2.gz IQQYDAIMLHNRCB-UHFFFAOYSA-N 0 0 328.799 4.537 50 0 EJAARN Cc1c(O[C@H]2CCCCC2=O)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000000406875 201357819 /nfs/dbraw/zinc/35/78/19/201357819.db2.gz UPBMBUBREXTRFS-FQEVSTJZSA-N 0 0 348.398 4.659 50 0 biogenic EJAARN O=c1cc(-c2ccccc2Cl)oc2ccc(Br)cc12 ZINC000000058090 201357868 /nfs/dbraw/zinc/35/78/68/201357868.db2.gz FVVOWPSJYLMBFF-UHFFFAOYSA-N 0 0 335.584 4.876 50 0 EJAARN Cc1cc(C(=O)Nc2ccc(Br)c(Cl)c2)cs1 ZINC000002785313 201359283 /nfs/dbraw/zinc/35/92/83/201359283.db2.gz JCYXNEKKIVDDKX-UHFFFAOYSA-N 0 0 330.634 4.725 50 0 EJAARN CCc1sc(C(=O)NCc2ccc(-c3csc(C)n3)o2)cc1C ZINC000024512112 212424542 /nfs/dbraw/zinc/42/45/42/212424542.db2.gz CGZCANDZUROCEE-UHFFFAOYSA-N 0 0 346.477 4.574 50 0 EJAARN O=C(CCCC(=O)c1cccs1)Nc1cccc2c1CCCC2 ZINC000024431545 212420218 /nfs/dbraw/zinc/42/02/18/212420218.db2.gz DZPXSDVNUYKSIC-UHFFFAOYSA-N 0 0 327.449 4.619 50 0 EJAARN O=C(N[C@H]1CCOc2ccccc21)c1cc(F)ccc1-c1ccccc1 ZINC000048304032 202600408 /nfs/dbraw/zinc/60/04/08/202600408.db2.gz KKUJIMIQPKPWAH-FQEVSTJZSA-N 0 0 347.389 4.746 50 0 EJAARN C[C@@H](NC(=O)c1c[nH]cc1-c1ccc(Cl)s1)c1ccccc1 ZINC000054675205 202672956 /nfs/dbraw/zinc/67/29/56/202672956.db2.gz QDQWTOKBNDIMOD-LLVKDONJSA-N 0 0 330.840 4.888 50 0 EJAARN CC(=O)Nc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000023606748 212383979 /nfs/dbraw/zinc/38/39/79/212383979.db2.gz WKOAJRTWQSTKRE-RUDMXATFSA-N 0 0 349.217 4.604 50 0 EJAARN COc1ccc(Cc2nc(-c3ccc(C)s3)cs2)cc1OC ZINC000023624950 212385709 /nfs/dbraw/zinc/38/57/09/212385709.db2.gz PAUNMFNZTSUJEG-UHFFFAOYSA-N 0 0 331.462 4.788 50 0 EJAARN CCOC(=O)Nc1cccc(Oc2ncnc3sc(C)c(C)c32)c1 ZINC000023380934 212372037 /nfs/dbraw/zinc/37/20/37/212372037.db2.gz ZHNWHCHTIZHKMW-UHFFFAOYSA-N 0 0 343.408 4.669 50 0 EJAARN COc1cc(-c2ccccc2)sc1C(=O)Nc1ccc(C)cc1O ZINC000058382088 202762933 /nfs/dbraw/zinc/76/29/33/202762933.db2.gz IXMOJSDDGFVOAW-UHFFFAOYSA-N 0 0 339.416 4.690 50 0 EJAARN Cc1ccccc1C(=O)N1CCc2ccccc2[C@H]1c1ccccc1F ZINC000023308242 212367883 /nfs/dbraw/zinc/36/78/83/212367883.db2.gz DWGOSNGYHIPRFU-QFIPXVFZSA-N 0 0 345.417 4.922 50 0 EJAARN CC(=O)c1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1 ZINC000000030242 201424728 /nfs/dbraw/zinc/42/47/28/201424728.db2.gz YANUBZAUARGUOG-UHFFFAOYSA-N 0 0 343.382 4.766 50 0 EJAARN Cc1cc(NCc2ccccc2)n2ncc(-c3ccccc3Cl)c2n1 ZINC000023114939 212349480 /nfs/dbraw/zinc/34/94/80/212349480.db2.gz PQKFEZUGDLJWKJ-UHFFFAOYSA-N 0 0 348.837 4.970 50 0 EJAARN Cc1c(-c2nc(-c3ccc(C)cc3C)cs2)nnn1-c1ccccc1 ZINC000023126575 212350619 /nfs/dbraw/zinc/35/06/19/212350619.db2.gz ZRXBDKCAKXGLCA-UHFFFAOYSA-N 0 0 346.459 4.983 50 0 EJAARN COc1ccc(-c2nc(COc3ccc(F)c(Cl)c3)co2)cc1 ZINC000022841337 212327953 /nfs/dbraw/zinc/32/79/53/212327953.db2.gz XXLKPGFQYUOEPA-UHFFFAOYSA-N 0 0 333.746 4.722 50 0 EJAARN O=C(Cc1c[nH]c2ccccc12)Nc1ccccc1N1CCCCCC1 ZINC000022828982 212326448 /nfs/dbraw/zinc/32/64/48/212326448.db2.gz HYLDPJRBZDAFEL-UHFFFAOYSA-N 0 0 347.462 4.730 50 0 EJAARN CC(C)C(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1Cl ZINC000022666597 212316803 /nfs/dbraw/zinc/31/68/03/212316803.db2.gz NYLCIFSDNIVLBT-UHFFFAOYSA-N 0 0 339.826 4.787 50 0 EJAARN Cc1noc(-c2ccccc2C)c1C(=O)NCc1cccc(Cl)c1 ZINC000022656208 212314783 /nfs/dbraw/zinc/31/47/83/212314783.db2.gz OZGQKEUBMAWISE-UHFFFAOYSA-N 0 0 340.810 4.542 50 0 EJAARN COc1ccc2c(c1)-c1sc(C(=O)N[C@@H](C)CC(C)C)cc1CC2 ZINC000022629053 212313483 /nfs/dbraw/zinc/31/34/83/212313483.db2.gz KMZMMEFPYORFBK-ZDUSSCGKSA-N 0 0 343.492 4.687 50 0 EJAARN CCc1ccccc1NC(=O)c1cccnc1SCC(F)(F)F ZINC000022523089 212304692 /nfs/dbraw/zinc/30/46/92/212304692.db2.gz ZQSMANKNNLSOPU-UHFFFAOYSA-N 0 0 340.370 4.551 50 0 EJAARN O=C(c1ccccc1Cl)N(CCc1cccs1)Cc1ccco1 ZINC000075154755 216585979 /nfs/dbraw/zinc/58/59/79/216585979.db2.gz ILBPAGSLFWMYNP-UHFFFAOYSA-N 0 0 345.851 4.880 50 0 EJAARN Cc1noc(-c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000022458808 212298334 /nfs/dbraw/zinc/29/83/34/212298334.db2.gz FQXSULPBVHYGCM-UHFFFAOYSA-N 0 0 348.189 4.604 50 0 EJAARN Cc1ccc(-c2ccc(OCC(=O)N(C)Cc3ccccc3)cc2)cc1 ZINC000000121396 201436813 /nfs/dbraw/zinc/43/68/13/201436813.db2.gz ZTYGKCUFWVXYKU-UHFFFAOYSA-N 0 0 345.442 4.699 50 0 EJAARN C[C@@H](C(=O)N(Cc1ccsc1)c1cccnc1)c1cccs1 ZINC000193504334 240193315 /nfs/dbraw/zinc/19/33/15/240193315.db2.gz UITCAELKIVJGPY-CYBMUJFWSA-N 0 0 328.462 4.542 50 0 EJAARN CCCN(CCC)C(=O)c1cc(-c2cccc(C(F)(F)F)c2)on1 ZINC000022342213 212292472 /nfs/dbraw/zinc/29/24/72/212292472.db2.gz BPGUGVSCSVBQBB-UHFFFAOYSA-N 0 0 340.345 4.623 50 0 EJAARN CC1CCN(C(=O)c2cc(-c3ccc(C(C)(C)C)cc3)on2)CC1 ZINC000022335342 212291731 /nfs/dbraw/zinc/29/17/31/212291731.db2.gz MDGUGTRUWMXHPU-UHFFFAOYSA-N 0 0 326.440 4.511 50 0 EJAARN Cc1cccc(-c2cc(C(=O)N[C@@H]3C[C@@H](C)CC(C)(C)C3)no2)c1 ZINC000022332619 212291182 /nfs/dbraw/zinc/29/11/82/212291182.db2.gz IUJHFECYSUKOCF-GDBMZVCRSA-N 0 0 326.440 4.595 50 0 EJAARN Cc1cccc(-c2cc(C(=O)N[C@@H]3C[C@H](C)CC(C)(C)C3)no2)c1 ZINC000022332622 212290516 /nfs/dbraw/zinc/29/05/16/212290516.db2.gz IUJHFECYSUKOCF-GOEBONIOSA-N 0 0 326.440 4.595 50 0 EJAARN COc1ccc(Cl)cc1NC(=O)CSc1ccc(Cl)cc1 ZINC000000149406 201441534 /nfs/dbraw/zinc/44/15/34/201441534.db2.gz AMROKPOQUCNJMD-UHFFFAOYSA-N 0 0 342.247 4.733 50 0 EJAARN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cccnc1 ZINC000000187505 201445294 /nfs/dbraw/zinc/44/52/94/201445294.db2.gz BHNGLUFUGLJJGE-UHFFFAOYSA-N 0 0 345.427 4.919 50 0 EJAARN CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1cccc2ncccc21 ZINC000022082868 212276950 /nfs/dbraw/zinc/27/69/50/212276950.db2.gz ICBCHLRTDRCEEK-UHFFFAOYSA-N 0 0 332.447 4.805 50 0 EJAARN Cc1ccc(Cn2nc(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000000186797 201445690 /nfs/dbraw/zinc/44/56/90/201445690.db2.gz OSFHFLPITLKMLA-UHFFFAOYSA-N 0 0 325.415 4.969 50 0 EJAARN Cc1cccc(C(=O)Nc2c(-c3cccs3)nc3ccccn32)c1 ZINC000000201403 201447417 /nfs/dbraw/zinc/44/74/17/201447417.db2.gz MUMXDOBRWZPKLC-UHFFFAOYSA-N 0 0 333.416 4.624 50 0 EJAARN O=C(NC1CCCCC1)c1ccc2c(c1)ncn2C1CCCCCC1 ZINC000000221024 201450878 /nfs/dbraw/zinc/45/08/78/201450878.db2.gz RWRQEJQSVLDTFA-UHFFFAOYSA-N 0 0 339.483 4.994 50 0 EJAARN C[C@H](c1ccncc1)N(C)C(=O)c1ccc(-c2cccc(F)c2)cc1 ZINC000215147975 241109161 /nfs/dbraw/zinc/10/91/61/241109161.db2.gz NHBXNSPMRBVHTP-OAHLLOKOSA-N 0 0 334.394 4.721 50 0 EJAARN COc1ccc2c(c1)CCN(Cc1ccc([C@H]3CCCCO3)s1)C2 ZINC000215276549 241118493 /nfs/dbraw/zinc/11/84/93/241118493.db2.gz VHRYLGZTKOPQRB-LJQANCHMSA-N 0 0 343.492 4.557 50 0 EJAARN CC(C)Cn1c(=O)c2sccc2nc1SCc1ccc(F)cc1 ZINC000206596550 241045638 /nfs/dbraw/zinc/04/56/38/241045638.db2.gz BQIYVGGMEDCJBH-UHFFFAOYSA-N 0 0 348.468 4.545 50 0 EJAARN Cc1cccc(CCC(=O)N2CCCC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000206875315 241054831 /nfs/dbraw/zinc/05/48/31/241054831.db2.gz MBHUMSRKFNOZER-HXUWFJFHSA-N 0 0 339.454 4.863 50 0 EJAARN Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N(C)[C@H](c1ccccn1)C1CC1 ZINC000216203137 241175819 /nfs/dbraw/zinc/17/58/19/241175819.db2.gz PVZAGNCXWDYHTK-NRFANRHFSA-N 0 0 347.462 4.711 50 0 EJAARN O=C(Nc1ccccc1)N[C@@H](c1ccccc1)C(Cl)(Cl)Cl ZINC000000245775 201452748 /nfs/dbraw/zinc/45/27/48/201452748.db2.gz LMXUQKRTHMQZCB-ZDUSSCGKSA-N 0 0 343.641 4.920 50 0 EJAARN COc1ccc(NC(=O)c2ccc(OCC(C)C)cc2)cc1Cl ZINC000000447580 201474382 /nfs/dbraw/zinc/47/43/82/201474382.db2.gz PEUZOXRMDRJKGO-UHFFFAOYSA-N 0 0 333.815 4.636 50 0 EJAARN CC[C@]1(C)Oc2ccc(NC(=O)c3ccccc3SC)cc2O1 ZINC000000381988 201466463 /nfs/dbraw/zinc/46/64/63/201466463.db2.gz WTHGHFKXLLFJTM-GOSISDBHSA-N 0 0 329.421 4.558 50 0 EJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCc2ccccc21 ZINC000000304207 201459088 /nfs/dbraw/zinc/45/90/88/201459088.db2.gz YAQOJQMJIBNWFM-UHFFFAOYSA-N 0 0 338.794 4.506 50 0 EJAARN O=C(CCc1cccc(Cl)c1)N1CCS[C@H](c2ccco2)CC1 ZINC000219418923 241386159 /nfs/dbraw/zinc/38/61/59/241386159.db2.gz GMPMSSRAWAKMMZ-KRWDZBQOSA-N 0 0 349.883 4.572 50 0 EJAARN O=C(/C=C/c1cccs1)N1CCS[C@H](c2ccccc2F)CC1 ZINC000219080095 241364124 /nfs/dbraw/zinc/36/41/24/241364124.db2.gz GXXHZNUTZBXOBF-OZSKJFCKSA-N 0 0 347.480 4.607 50 0 EJAARN O=C(/C=C/c1cccs1)N1CCS[C@@H](c2ccccc2F)CC1 ZINC000219080168 241364492 /nfs/dbraw/zinc/36/44/92/241364492.db2.gz GXXHZNUTZBXOBF-IWAYRVGRSA-N 0 0 347.480 4.607 50 0 EJAARN CCCc1cc(=O)oc2cc(OC(=O)C3CCCCC3)c(Cl)cc12 ZINC000000858614 201493701 /nfs/dbraw/zinc/49/37/01/201493701.db2.gz BWYGKSCYWARZLB-UHFFFAOYSA-N 0 0 348.826 4.885 50 0 EJAARN COC(=O)c1ccc2c(c1)[nH]c(Br)c2C1CCCCC1 ZINC000022010840 212270010 /nfs/dbraw/zinc/27/00/10/212270010.db2.gz QOQJFUQDXVNLMK-UHFFFAOYSA-N 0 0 336.229 4.765 50 0 in-vitro EJAARN c1sc(Cc2ccccc2)nc1COc1cccc2cccnc21 ZINC000060452942 202781810 /nfs/dbraw/zinc/78/18/10/202781810.db2.gz UWBQQLSOZIGPRC-UHFFFAOYSA-N 0 0 332.428 4.861 50 0 EJAARN O=C(CSc1ncnc2ccsc21)C12CC3CC(CC(C3)C1)C2 ZINC000022004607 212269707 /nfs/dbraw/zinc/26/97/07/212269707.db2.gz GHFWUDJNZIJFEG-UHFFFAOYSA-N 0 0 344.505 4.569 50 0 EJAARN C[C@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1ccc(F)cc1 ZINC000021890596 212260400 /nfs/dbraw/zinc/26/04/00/212260400.db2.gz OHDBCNAMRBIOCG-AWEZNQCLSA-N 0 0 335.382 4.725 50 0 EJAARN COc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2C)c1 ZINC000021890310 212259698 /nfs/dbraw/zinc/25/96/98/212259698.db2.gz NLFCUXWEPOZEOQ-OAHLLOKOSA-N 0 0 347.418 4.595 50 0 EJAARN Cc1ccc(O[C@H](C)C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000021830001 212254225 /nfs/dbraw/zinc/25/42/25/212254225.db2.gz QNYOTJVFZZWZPH-KUHUBIRLSA-N 0 0 343.854 4.683 50 0 EJAARN COc1ccc(-c2c(C)[nH]nc2NC(=O)C[C@@H](C)c2ccccc2)cc1 ZINC000075559095 216635002 /nfs/dbraw/zinc/63/50/02/216635002.db2.gz FUIBDRZIWQJMCU-CQSZACIVSA-N 0 0 349.434 4.526 50 0 EJAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccco2)cc1 ZINC000010215067 201503703 /nfs/dbraw/zinc/50/37/03/201503703.db2.gz DJGIUXRWXUKZFI-WIYYLYMNSA-N 0 0 330.387 4.830 50 0 EJAARN O=C(c1cc(Cl)ccc1F)N1CCCC[C@H]1CCc1ccccn1 ZINC000222757796 241554614 /nfs/dbraw/zinc/55/46/14/241554614.db2.gz DEQKORFNBIDFEH-INIZCTEOSA-N 0 0 346.833 4.502 50 0 EJAARN Cc1ccc(C(=O)Nc2cc(F)c3nc(N4CCCC4)ccc3c2)cc1 ZINC000021728484 212245863 /nfs/dbraw/zinc/24/58/63/212245863.db2.gz NAZCFZJLAXXAMF-UHFFFAOYSA-N 0 0 349.409 4.535 50 0 EJAARN O=C(c1cc(Cl)nc(Cl)c1)N1CCCC[C@H]1c1ccccc1 ZINC000225602023 241947938 /nfs/dbraw/zinc/94/79/38/241947938.db2.gz NNDXBTKREJXTPI-AWEZNQCLSA-N 0 0 335.234 4.756 50 0 EJAARN CCCCOc1ccc([C@H](C)N[C@@H](C)c2cc(C)on2)cc1OC ZINC000225735061 242010159 /nfs/dbraw/zinc/01/01/59/242010159.db2.gz KKXLUBLJXBRZLL-GJZGRUSLSA-N 0 0 332.444 4.582 50 0 EJAARN CC[C@H](C(=O)NCc1cccnc1-c1cccs1)c1ccccc1 ZINC000225759285 242020706 /nfs/dbraw/zinc/02/07/06/242020706.db2.gz MPQYXIUCAGPRRB-KRWDZBQOSA-N 0 0 336.460 4.620 50 0 EJAARN O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1Cl ZINC000225762151 242023946 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Cc1oc(-c2ccccc2)nc1C[S@](=O)Cc1ccc(Cl)cc1 ZINC000069488713 203007477 /nfs/dbraw/zinc/00/74/77/203007477.db2.gz NFEXFFSIBPQSMR-QHCPKHFHSA-N 0 0 345.851 4.752 50 0 EJAARN O=C(CCc1ccncc1)N1CCC[C@H]1c1cccc2ccccc21 ZINC000069491139 203008680 /nfs/dbraw/zinc/00/86/80/203008680.db2.gz PJSIFHNPKROOQN-NRFANRHFSA-N 0 0 330.431 4.531 50 0 EJAARN CCc1nc(NC(=O)c2cc(F)c(Cl)cc2Cl)sc1C ZINC000040119002 213269230 /nfs/dbraw/zinc/26/92/30/213269230.db2.gz CQQJPBZBULYZFE-UHFFFAOYSA-N 0 0 333.215 4.712 50 0 EJAARN CC(C)n1ccc2c1cccc2NC(=O)c1cccc2c1ccn2C ZINC000070666658 203079414 /nfs/dbraw/zinc/07/94/14/203079414.db2.gz UDPYBVZYMAPJNJ-UHFFFAOYSA-N 0 0 331.419 4.966 50 0 biogenic EJAARN CC(=O)[C@@H]1[C@@H](C)C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253611357 244038143 /nfs/dbraw/zinc/03/81/43/244038143.db2.gz XXSFRYVGIQYVIQ-HLLGIEBOSA-N 0 0 330.512 4.761 50 0 EJAARN Cc1ccc(F)cc1Cn1ccc(-c2cccc(-c3cncnc3)c2)n1 ZINC000020350852 212121643 /nfs/dbraw/zinc/12/16/43/212121643.db2.gz 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216877518 /nfs/dbraw/zinc/87/75/18/216877518.db2.gz CQSWHQMDBVNESI-UHFFFAOYSA-N 0 0 334.419 4.558 50 0 EJAARN CC(C)c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000073632147 203270452 /nfs/dbraw/zinc/27/04/52/203270452.db2.gz CLZVTIRYMSHLTN-UHFFFAOYSA-N 0 0 343.370 4.630 50 0 EJAARN COc1ccc(/C=C/c2ccnc3c(-c4ccccc4)c(C)nn32)cc1 ZINC000019960990 212090589 /nfs/dbraw/zinc/09/05/89/212090589.db2.gz GVLXRPLZHNRBLN-DHZHZOJOSA-N 0 0 341.414 4.884 50 0 EJAARN CC(=O)c1cnc2c(-c3ccccc3)c(C)nn2c1-c1ccccc1 ZINC000019960982 212090435 /nfs/dbraw/zinc/09/04/35/212090435.db2.gz URKBKQKVTFSHHN-UHFFFAOYSA-N 0 0 327.387 4.574 50 0 EJAARN Cc1ccc2ccc3cc(C(=O)NCc4cccc(Cl)c4)[nH]c3c2n1 ZINC000075346760 203312457 /nfs/dbraw/zinc/31/24/57/203312457.db2.gz HDXAQALWSKENNL-UHFFFAOYSA-N 0 0 349.821 4.608 50 0 EJAARN Cc1sc(-c2noc(C3CCC3)n2)cc1NC(=O)c1cccs1 ZINC000075351558 203312838 /nfs/dbraw/zinc/31/28/38/203312838.db2.gz RSOKQIPGTKSZMQ-UHFFFAOYSA-N 0 0 345.449 4.688 50 0 EJAARN Cc1[nH]nc(NC(=O)Cc2ccccc2Cl)c1-c1cccc(C)c1 ZINC000075544445 203317341 /nfs/dbraw/zinc/31/73/41/203317341.db2.gz QFKUDGSDXNPGIP-UHFFFAOYSA-N 0 0 339.826 4.528 50 0 EJAARN CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1NCc1ccco1 ZINC000019791956 212068103 /nfs/dbraw/zinc/06/81/03/212068103.db2.gz GFRQBNMKYIIMCW-UHFFFAOYSA-N 0 0 344.798 4.578 50 0 EJAARN CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257345596 244582663 /nfs/dbraw/zinc/58/26/63/244582663.db2.gz CGMZETDGTMDEAD-ARDTXDTCSA-N 0 0 332.528 4.841 50 0 EJAARN CC(C)c1noc([C@@H]2CCCN2Cc2cc(C3CCCCC3)no2)n1 ZINC000077394654 203385785 /nfs/dbraw/zinc/38/57/85/203385785.db2.gz MVTVJBMQOWUFCL-KRWDZBQOSA-N 0 0 344.459 4.566 50 0 EJAARN Cc1cccc(N2C(=O)S/C(=C/c3c[nH]c4ccccc34)C2=O)c1 ZINC000019758723 212062559 /nfs/dbraw/zinc/06/25/59/212062559.db2.gz DFGRARRIIJFCBL-LICLKQGHSA-N 0 0 334.400 4.717 50 0 EJAARN CCCOc1ccccc1CNc1ccc(OCCOCC)cc1 ZINC000019738430 212059582 /nfs/dbraw/zinc/05/95/82/212059582.db2.gz 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CCCc1nnc(-c2cc3ccccc3n2Cc2ccccc2F)o1 ZINC000017287311 211962030 /nfs/dbraw/zinc/96/20/30/211962030.db2.gz IJVAWCQDNBKQQW-UHFFFAOYSA-N 0 0 335.382 4.831 50 0 EJAARN COc1ccc(NC(=S)Nc2ccccc2C(F)(F)F)c(C)c1 ZINC000017071217 211951921 /nfs/dbraw/zinc/95/19/21/211951921.db2.gz DAOSNZZCSFPWIK-UHFFFAOYSA-N 0 0 340.370 4.831 50 0 EJAARN Cc1ccc(C(=O)C2CCN(c3ccnc4ccsc43)CC2)cc1 ZINC000078903790 217145567 /nfs/dbraw/zinc/14/55/67/217145567.db2.gz QYZHEPZNOHMFTL-UHFFFAOYSA-N 0 0 336.460 4.704 50 0 EJAARN O=C(c1cc2ccccc2o1)N(Cc1ccco1)Cc1cccs1 ZINC000016469702 211905969 /nfs/dbraw/zinc/90/59/69/211905969.db2.gz YLGIARPCMDOBDE-UHFFFAOYSA-N 0 0 337.400 4.930 50 0 EJAARN CSCc1cccc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c1 ZINC000016490046 211909363 /nfs/dbraw/zinc/90/93/63/211909363.db2.gz IEOFUOMPOXHWDS-UHFFFAOYSA-N 0 0 341.263 4.691 50 0 EJAARN C[C@H]1c2cccn2CCN1C(=S)Nc1ccc(Cl)cc1Cl ZINC000016310223 211895182 /nfs/dbraw/zinc/89/51/82/211895182.db2.gz DOIZYZHTHQUGPS-JTQLQIEISA-N 0 0 340.279 4.569 50 0 EJAARN C[C@H](NC(=O)c1ncc(Cl)c(Cl)c1Cl)c1ccccc1 ZINC000016024217 211877156 /nfs/dbraw/zinc/87/71/56/211877156.db2.gz DAJZKWXQAAJDIN-QMMMGPOBSA-N 0 0 329.614 4.533 50 0 EJAARN Cc1noc(C)c1C(=O)Nc1cccc2c1ccn2CCC(C)C ZINC000079478686 217230809 /nfs/dbraw/zinc/23/08/09/217230809.db2.gz CBUYYJNEMFADLT-UHFFFAOYSA-N 0 0 325.412 4.545 50 0 EJAARN CC(C)[C@H]1SCC(=O)Nc2c1cnn2-c1ccc(Cl)cc1F ZINC000079484646 217231429 /nfs/dbraw/zinc/23/14/29/217231429.db2.gz OUOVTRGMSQQPEQ-CQSZACIVSA-N 0 0 339.823 4.697 50 0 EJAARN Cc1ccc([C@H](NC(=O)c2cccc(Cl)c2)c2cccnc2)cc1 ZINC000015839724 211860148 /nfs/dbraw/zinc/86/01/48/211860148.db2.gz OEBGYJJPFVIZIQ-IBGZPJMESA-N 0 0 336.822 4.563 50 0 EJAARN Cc1c2ccc(C)c(C)c2oc1C(=O)Nc1ccc2nsnc2c1 ZINC000015841355 211860160 /nfs/dbraw/zinc/86/01/60/211860160.db2.gz BBUQCKKWTZJYQW-UHFFFAOYSA-N 0 0 337.404 4.615 50 0 EJAARN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc2cccnc21 ZINC000015835426 211859270 /nfs/dbraw/zinc/85/92/70/211859270.db2.gz JMKTVRFICOBNBU-HNNXBMFYSA-N 0 0 348.446 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/nfs/dbraw/zinc/62/98/59/211629859.db2.gz IDXADNKVHFJNPD-CQSZACIVSA-N 0 0 333.229 4.722 50 0 EJAARN C[C@@H](O)c1nc2ccccc2n1CCCOc1ccc2ccccc2c1 ZINC000013566036 211582136 /nfs/dbraw/zinc/58/21/36/211582136.db2.gz ATBUORYSCCMVFT-MRXNPFEDSA-N 0 0 346.430 4.712 50 0 EJAARN Cc1nc(CCCC(=O)Nc2cc(C(C)C)c(O)cc2C)cs1 ZINC000088465355 217754419 /nfs/dbraw/zinc/75/44/19/217754419.db2.gz ZJGFDUQOYNBBTR-UHFFFAOYSA-N 0 0 332.469 4.550 50 0 EJAARN COc1ccc(Cl)cc1NC(=O)Nc1ccc(Cl)cc1F ZINC000013321266 211545264 /nfs/dbraw/zinc/54/52/64/211545264.db2.gz ATFZEPXEBSOQOD-UHFFFAOYSA-N 0 0 329.158 4.785 50 0 EJAARN O=C(N(Cc1ccccc1)c1ccccc1)C(Cl)(Cl)Cl ZINC000001738632 206320030 /nfs/dbraw/zinc/32/00/30/206320030.db2.gz YXYASEBSOHPGRB-UHFFFAOYSA-N 0 0 328.626 4.590 50 0 EJAARN Cc1sc2ncnc(Oc3ccc4c(C)cc(=O)oc4c3)c2c1C ZINC000000038153 206370960 /nfs/dbraw/zinc/37/09/60/206370960.db2.gz DFMMBCDBJQOWPR-UHFFFAOYSA-N 0 0 338.388 4.515 50 0 EJAARN Cc1nc(-c2ccccn2)sc1C(=O)N(C)C1CCCCCCC1 ZINC000089562819 217813323 /nfs/dbraw/zinc/81/33/23/217813323.db2.gz ABEPQUFCYZNFQK-UHFFFAOYSA-N 0 0 343.496 4.698 50 0 EJAARN Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3ccccc3)c12 ZINC000012999779 211506949 /nfs/dbraw/zinc/50/69/49/211506949.db2.gz YHZJMAMRKMTMCX-UHFFFAOYSA-N 0 0 335.388 4.512 50 0 EJAARN COc1ccc(-c2nnc([C@@H](C)Sc3ncccc3Cl)o2)cc1 ZINC000012997993 211505680 /nfs/dbraw/zinc/50/56/80/211505680.db2.gz OPCKZZNOGCMKIP-SNVBAGLBSA-N 0 0 347.827 4.647 50 0 EJAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1cccc(C(C)C)c1 ZINC000012992035 211503840 /nfs/dbraw/zinc/50/38/40/211503840.db2.gz UPZMQRSCULMIFL-UHFFFAOYSA-N 0 0 337.448 4.889 50 0 EJAARN Cc1cc(Cl)ccc1OCCCC(=O)Nc1cc(C(C)C)no1 ZINC000012915814 211482897 /nfs/dbraw/zinc/48/28/97/211482897.db2.gz LJOHMYTXSPSFHU-UHFFFAOYSA-N 0 0 336.819 4.558 50 0 EJAARN O=C(Cc1c[nH]c2ccccc12)Nc1ccccc1SC(F)F ZINC000012972117 211494023 /nfs/dbraw/zinc/49/40/23/211494023.db2.gz WBBCXFYZNMHEHT-UHFFFAOYSA-N 0 0 332.375 4.664 50 0 EJAARN O=C(Nc1c(F)cccc1NC1CC1)c1cc(F)c(F)cc1Cl ZINC000089768182 217840158 /nfs/dbraw/zinc/84/01/58/217840158.db2.gz BKXTVLXSGRRKGN-UHFFFAOYSA-N 0 0 340.732 4.584 50 0 EJAARN Cc1ccccc1[C@H](C)NC(=O)Cc1csc(-c2cccs2)n1 ZINC000012926191 211485081 /nfs/dbraw/zinc/48/50/81/211485081.db2.gz QZZUPDIBMVLOHM-ZDUSSCGKSA-N 0 0 342.489 4.600 50 0 EJAARN CC(C)c1ccc(-c2nc(C(=O)N(C)Cc3ccco3)cs2)cc1 ZINC000012911493 211481603 /nfs/dbraw/zinc/48/16/03/211481603.db2.gz CMOKSZSBPRJMKJ-UHFFFAOYSA-N 0 0 340.448 4.799 50 0 EJAARN Cc1coc2c1c1c(c3oc(=O)c4c(c23)CCCC4)CCC(C)(C)O1 ZINC000012896072 211477561 /nfs/dbraw/zinc/47/75/61/211477561.db2.gz MGBDRGXUUAEZIR-UHFFFAOYSA-N 0 0 338.403 4.830 50 0 biogenic EJAARN Cc1nc(-c2cccs2)sc1C(=O)NCc1cccc(Cl)c1 ZINC000012808014 211461691 /nfs/dbraw/zinc/46/16/91/211461691.db2.gz AXTNWOOZTIHYHK-UHFFFAOYSA-N 0 0 348.880 4.763 50 0 EJAARN CCCOc1ccc(C(=O)Nc2ccc(F)cc2Cl)cc1OC ZINC000012797541 211459718 /nfs/dbraw/zinc/45/97/18/211459718.db2.gz UPGLHRYPPGKNCS-UHFFFAOYSA-N 0 0 337.778 4.529 50 0 EJAARN CN(Cc1ccc2ccccc2c1)C(=O)COc1cccc(Cl)c1 ZINC000012795708 211459077 /nfs/dbraw/zinc/45/90/77/211459077.db2.gz NOFBUPOIEKZHGW-UHFFFAOYSA-N 0 0 339.822 4.531 50 0 EJAARN CC(=O)N[C@@H](C)CCc1ccc(-c2csc(-c3ccco3)n2)cc1 ZINC000012738218 211441138 /nfs/dbraw/zinc/44/11/38/211441138.db2.gz VHMUKGBFTAKMAN-ZDUSSCGKSA-N 0 0 340.448 4.527 50 0 EJAARN Cc1cc(-c2csc(N3CCCCC3)n2)c(C)n1Cc1ccco1 ZINC000012681767 211432557 /nfs/dbraw/zinc/43/25/57/211432557.db2.gz GYNNDSJNBLSJEK-UHFFFAOYSA-N 0 0 341.480 4.860 50 0 EJAARN O=C(N[C@H]1C[C@H]1c1ccccc1)C1(c2cccc(F)c2)CCCCC1 ZINC000089828041 217854640 /nfs/dbraw/zinc/85/46/40/217854640.db2.gz NSOCRLVIKLHWEK-PMACEKPBSA-N 0 0 337.438 4.700 50 0 EJAARN CSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C ZINC000012779910 211453671 /nfs/dbraw/zinc/45/36/71/211453671.db2.gz QQVXCWKRDJBXMN-GFCCVEGCSA-N 0 0 335.856 4.776 50 0 EJAARN CCCCc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 ZINC000012578333 211414158 /nfs/dbraw/zinc/41/41/58/211414158.db2.gz ICHRBMKPQSEIPF-HXUWFJFHSA-N 0 0 347.462 4.883 50 0 EJAARN COc1ccccc1Nc1ccc(NC(=O)c2ccccc2F)cc1 ZINC000012554877 211408891 /nfs/dbraw/zinc/40/88/91/211408891.db2.gz PZOSNEBBPSNRAB-UHFFFAOYSA-N 0 0 336.366 4.830 50 0 EJAARN Cc1cccc2nc(C(=O)N(Cc3ccc(C(C)C)cc3)C3CC3)cn21 ZINC000012547990 211406683 /nfs/dbraw/zinc/40/66/83/211406683.db2.gz XESWUZZHCOCGLK-UHFFFAOYSA-N 0 0 347.462 4.571 50 0 EJAARN O=C(Nc1c(-c2ccccc2)nc2sccn21)c1ccc(Cl)o1 ZINC000012525062 211399045 /nfs/dbraw/zinc/39/90/45/211399045.db2.gz YGBUVSHXQJDDRS-UHFFFAOYSA-N 0 0 343.795 4.562 50 0 EJAARN CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc2ncccc2c1 ZINC000012528159 211398785 /nfs/dbraw/zinc/39/87/85/211398785.db2.gz TWZFHYSLPMQESF-HXUWFJFHSA-N 0 0 349.821 4.586 50 0 EJAARN Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN(C)[C@H]1CCOC1 ZINC000012456575 211386835 /nfs/dbraw/zinc/38/68/35/211386835.db2.gz CIKIRRFWSMBYHX-FQEVSTJZSA-N 0 0 348.446 4.538 50 0 EJAARN O=C(COc1ccc(Cl)cc1)NC1CCC(c2ccccc2)CC1 ZINC000012376161 211359692 /nfs/dbraw/zinc/35/96/92/211359692.db2.gz DETZZHYPAUKMTG-UHFFFAOYSA-N 0 0 343.854 4.561 50 0 EJAARN Cc1ccc(NC(=O)Cc2cc(-c3ccc(Cl)cc3)on2)cc1F ZINC000012422195 211375916 /nfs/dbraw/zinc/37/59/16/211375916.db2.gz PNWRSUYYEFYROT-UHFFFAOYSA-N 0 0 344.773 4.624 50 0 EJAARN COc1cc([C@@H]2CC(=O)Nc3ccsc32)ccc1OC1CCCC1 ZINC000012419205 211375076 /nfs/dbraw/zinc/37/50/76/211375076.db2.gz JEDCYIWNMQBLMQ-AWEZNQCLSA-N 0 0 343.448 4.552 50 0 EJAARN CC[C@H](O)c1nc2ccccc2n1CCCOc1ccccc1Cl ZINC000012418934 211374824 /nfs/dbraw/zinc/37/48/24/211374824.db2.gz QBHIXJHCBGTXCW-KRWDZBQOSA-N 0 0 344.842 4.602 50 0 EJAARN CCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(C)c2)C1 ZINC000012411030 211371876 /nfs/dbraw/zinc/37/18/76/211371876.db2.gz BENBGTCHFQSZMT-QGZVFWFLSA-N 0 0 347.462 4.665 50 0 EJAARN CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H](c2ccccc2)c2ccncc2)C1(C)C ZINC000089914100 217881443 /nfs/dbraw/zinc/88/14/43/217881443.db2.gz GJHNJNQPARNKHX-AABGKKOBSA-N 0 0 334.463 4.526 50 0 EJAARN CC(=O)c1ncc(C(F)(F)F)cc1-c1cccc(C(F)(F)F)c1 ZINC000012338447 211353352 /nfs/dbraw/zinc/35/33/52/211353352.db2.gz OJDMYXOEPXAPQS-UHFFFAOYSA-N 0 0 333.231 4.989 50 0 EJAARN O=C(Nc1cccc(-c2cccs2)c1)c1cccc2nsnc21 ZINC000012340989 211352850 /nfs/dbraw/zinc/35/28/50/211352850.db2.gz LHACOOMLDLZEJT-UHFFFAOYSA-N 0 0 337.429 4.672 50 0 EJAARN OCCCCC/N=c1\cc(-c2ccccc2)oc2ccc(Cl)cc21 ZINC000012374222 211359020 /nfs/dbraw/zinc/35/90/20/211359020.db2.gz GRTHQHJKKXJEHH-RELWKKBWSA-N 0 0 341.838 4.817 50 0 EJAARN COc1cccc([C@@H]2CC(=O)Nc3ccsc32)c1OC1CCCC1 ZINC000012371657 211358181 /nfs/dbraw/zinc/35/81/81/211358181.db2.gz RQRAVBLXJVZUHU-AWEZNQCLSA-N 0 0 343.448 4.552 50 0 EJAARN Clc1cccc(/C=C/c2nn3c(nnc3-c3ccccc3)s2)c1 ZINC000012274159 211332044 /nfs/dbraw/zinc/33/20/44/211332044.db2.gz ZHGFWFGSPCHYSS-MDZDMXLPSA-N 0 0 338.823 4.677 50 0 EJAARN CC[C@@H](C(=O)OCc1cc(-c2cccs2)on1)c1ccccc1 ZINC000012236729 211328259 /nfs/dbraw/zinc/32/82/59/211328259.db2.gz WCZFNPAVQJCKMD-OAHLLOKOSA-N 0 0 327.405 4.640 50 0 EJAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3C)c12 ZINC000012227059 211325722 /nfs/dbraw/zinc/32/57/22/211325722.db2.gz QRRAFXOTFOOTME-UHFFFAOYSA-N 0 0 343.386 4.759 50 0 EJAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(F)cc3)c12 ZINC000012227163 211325026 /nfs/dbraw/zinc/32/50/26/211325026.db2.gz XJSGCHKPERZICA-UHFFFAOYSA-N 0 0 347.349 4.590 50 0 EJAARN CCCN(CCC)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000012138604 211303091 /nfs/dbraw/zinc/30/30/91/211303091.db2.gz LWBVZXQFPVZQMF-UHFFFAOYSA-N 0 0 339.439 4.593 50 0 EJAARN CCc1ccc(CN(Cc2ccco2)C(=O)c2ccccc2F)cc1 ZINC000012062687 211284358 /nfs/dbraw/zinc/28/43/58/211284358.db2.gz DFDIPZXSOLTWEK-UHFFFAOYSA-N 0 0 337.394 4.824 50 0 EJAARN Cc1cccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2CC(C)C)n1 ZINC000011998058 211278525 /nfs/dbraw/zinc/27/85/25/211278525.db2.gz CWBWCLOQWOCAAY-HXUWFJFHSA-N 0 0 347.462 4.657 50 0 EJAARN CCc1ccc(CN(C)Cc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000011999003 211277251 /nfs/dbraw/zinc/27/72/51/211277251.db2.gz UVYJWNWQXAWGHB-UHFFFAOYSA-N 0 0 341.842 4.584 50 0 EJAARN COc1ccc(N(Cc2cccs2)C(=O)c2ccc(F)cc2)cc1 ZINC000011917370 211269570 /nfs/dbraw/zinc/26/95/70/211269570.db2.gz YQSQDIOLUUNRHO-UHFFFAOYSA-N 0 0 341.407 4.743 50 0 EJAARN Cc1cccc(C(=O)N(Cc2ccc(Cl)cc2)c2ccccn2)c1 ZINC000011914553 211267494 /nfs/dbraw/zinc/26/74/94/211267494.db2.gz FNQOYIAGQCOSJV-UHFFFAOYSA-N 0 0 336.822 4.890 50 0 EJAARN COc1cccc([C@H]2CCN2C(=O)c2oc3cc(C)ccc3c2C)c1 ZINC000091519339 218017188 /nfs/dbraw/zinc/01/71/88/218017188.db2.gz FEYPVLFWPFJFPC-GOSISDBHSA-N 0 0 335.403 4.645 50 0 EJAARN CN(C(=O)c1ccc(Cl)cc1)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000091694999 218050287 /nfs/dbraw/zinc/05/02/87/218050287.db2.gz GUUCIRQKBHGREM-UHFFFAOYSA-N 0 0 349.139 4.684 50 0 EJAARN CCOC(=O)c1ccc(-c2cc(C(F)(F)F)cc(Cl)n2)cc1 ZINC000091695421 218050561 /nfs/dbraw/zinc/05/05/61/218050561.db2.gz TWAOGTTUJNKXCN-UHFFFAOYSA-N 0 0 329.705 4.598 50 0 EJAARN c1coc(-c2nnc(-c3ccc4noc(-c5ccccc5)c4c3)o2)c1 ZINC000011692899 211235007 /nfs/dbraw/zinc/23/50/07/211235007.db2.gz BGKMQQCXAYYVCX-UHFFFAOYSA-N 0 0 329.315 4.805 50 0 EJAARN CCOc1ccccc1NC(=O)CNc1ccccc1-c1ccccc1 ZINC000011618667 211226336 /nfs/dbraw/zinc/22/63/36/211226336.db2.gz AWPCLIFIDLMTIQ-UHFFFAOYSA-N 0 0 346.430 4.803 50 0 EJAARN CCCC(=O)Nc1nc(-c2ccc(OC)c3ccccc23)cs1 ZINC000011448994 211218484 /nfs/dbraw/zinc/21/84/84/211218484.db2.gz ZBHIMGFWEBVSQD-UHFFFAOYSA-N 0 0 326.421 4.711 50 0 EJAARN C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)N(C)Cc1ccsc1 ZINC000011438353 211216300 /nfs/dbraw/zinc/21/63/00/211216300.db2.gz PXSRZGGOOKIBRH-AWEZNQCLSA-N 0 0 330.497 4.505 50 0 EJAARN Cc1nc([C@@H](C)N(C)C(=O)c2oc3cc(C)ccc3c2C)c(C)s1 ZINC000091973959 218097523 /nfs/dbraw/zinc/09/75/23/218097523.db2.gz HISPYUFZPKIOKV-GFCCVEGCSA-N 0 0 342.464 4.956 50 0 EJAARN O=C(CSCc1nc2ccccc2s1)NCCC1=CCCCC1 ZINC000011102443 211203539 /nfs/dbraw/zinc/20/35/39/211203539.db2.gz WKFMTYDAXSJSAY-UHFFFAOYSA-N 0 0 346.521 4.536 50 0 EJAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)C1CCCCC1 ZINC000010692037 211186920 /nfs/dbraw/zinc/18/69/20/211186920.db2.gz IQCTWUCLJSANOD-FQEVSTJZSA-N 0 0 346.474 4.996 50 0 EJAARN COc1cccc(Nc2cc(C)nc3c(-c4ccc(C)cc4)cnn32)c1 ZINC000010383631 211169260 /nfs/dbraw/zinc/16/92/60/211169260.db2.gz ANXWATSRQDMCSO-UHFFFAOYSA-N 0 0 344.418 4.765 50 0 EJAARN O=C(Nc1ccc(Cl)cc1)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000010296556 211161131 /nfs/dbraw/zinc/16/11/31/211161131.db2.gz ALAXZPRHGHORDZ-QGZVFWFLSA-N 0 0 346.814 4.542 50 0 EJAARN C[C@H](NC(=O)N[C@@H](C)c1ccc(F)cc1F)c1cc2ccccc2o1 ZINC000010281411 211160082 /nfs/dbraw/zinc/16/00/82/211160082.db2.gz QYYHCCIPPQWQEF-RYUDHWBXSA-N 0 0 344.361 4.832 50 0 EJAARN COc1cccc(Nc2nnc(SCc3cccc(F)c3)s2)c1 ZINC000010267399 211158802 /nfs/dbraw/zinc/15/88/02/211158802.db2.gz SGQIMTASQZQZHE-UHFFFAOYSA-N 0 0 347.440 4.722 50 0 EJAARN COc1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)c(OC)c1 ZINC000010334138 211165926 /nfs/dbraw/zinc/16/59/26/211165926.db2.gz GDYGBEWZYNSOOD-UHFFFAOYSA-N 0 0 341.451 4.573 50 0 EJAARN C[C@H]1CC(=O)c2cnc(Nc3ccc(Oc4ccccc4)cc3)nc2C1 ZINC000010156840 211152020 /nfs/dbraw/zinc/15/20/20/211152020.db2.gz CUFHWQVDBWBXRN-CQSZACIVSA-N 0 0 345.402 4.778 50 0 EJAARN Cc1ccc([C@H]2CC(=O)c3c(C)nc(Nc4ccccc4)nc3C2)cc1 ZINC000010156535 211151945 /nfs/dbraw/zinc/15/19/45/211151945.db2.gz XLYDILLZRAEWDG-QGZVFWFLSA-N 0 0 343.430 4.750 50 0 EJAARN O=C(Nc1ccc(Cl)cc1)N(C1=NCCC1)c1cccc(F)c1 ZINC000010165975 211151247 /nfs/dbraw/zinc/15/12/47/211151247.db2.gz ULUBIWRRWFZEDU-UHFFFAOYSA-N 0 0 331.778 4.710 50 0 EJAARN Clc1ccc(-c2noc(CN3CCC[C@H]3c3ccccc3)n2)cc1 ZINC000010087862 211147164 /nfs/dbraw/zinc/14/71/64/211147164.db2.gz NUJUGEZRFUPBAL-KRWDZBQOSA-N 0 0 339.826 4.727 50 0 EJAARN O=C(Cc1ccc(Cl)s1)Nc1nc2c(s1)Cc1ccccc1-2 ZINC000010061012 211145396 /nfs/dbraw/zinc/14/53/96/211145396.db2.gz CPCMILFIFDNSSI-UHFFFAOYSA-N 0 0 346.864 4.610 50 0 EJAARN O=C(/C=C/c1ccc(F)c(Cl)c1)N1CCC[C@H]1c1ccccc1 ZINC000009957004 211137261 /nfs/dbraw/zinc/13/72/61/211137261.db2.gz AZVMALADNRISTP-CKDFRHGISA-N 0 0 329.802 4.856 50 0 EJAARN CCSc1nnc(NC(=O)c2sccc2-c2ccccc2)s1 ZINC000009910806 211133067 /nfs/dbraw/zinc/13/30/67/211133067.db2.gz PUJJCGHHDVOWGH-UHFFFAOYSA-N 0 0 347.490 4.631 50 0 EJAARN Cc1nc2ccc(NC(=O)c3nc(-c4ccccc4)oc3C)cc2s1 ZINC000009909043 211132177 /nfs/dbraw/zinc/13/21/77/211132177.db2.gz UAPAPYIPWAOTGG-UHFFFAOYSA-N 0 0 349.415 4.820 50 0 EJAARN C[C@H](Nc1ccc(Br)cc1)c1nnc(-c2ccccc2)o1 ZINC000009745189 211120882 /nfs/dbraw/zinc/12/08/82/211120882.db2.gz FJLOUVAXOZWFDP-NSHDSACASA-N 0 0 344.212 4.672 50 0 EJAARN Cc1nc2cc(NC(=O)c3occc3COc3ccccc3)ccc2o1 ZINC000009709858 211117475 /nfs/dbraw/zinc/11/74/75/211117475.db2.gz BUFXNAAGYOGWIK-UHFFFAOYSA-N 0 0 348.358 4.561 50 0 EJAARN CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc2oc(C)nc2c1 ZINC000009709957 211117539 /nfs/dbraw/zinc/11/75/39/211117539.db2.gz HDXWBOCDJSXGTI-ZDUSSCGKSA-N 0 0 338.407 4.667 50 0 EJAARN CCc1c(C)nc2nc(-c3ccccc3)nn2c1Nc1ccc(C)cc1 ZINC000009561487 211101834 /nfs/dbraw/zinc/10/18/34/211101834.db2.gz YZRXPLKNNIXBTR-UHFFFAOYSA-N 0 0 343.434 4.714 50 0 EJAARN COc1cc2ccccc2cc1C(=O)N(C)Cc1cccc(Cl)c1 ZINC000009545048 211101749 /nfs/dbraw/zinc/10/17/49/211101749.db2.gz WNDPHXZDWZDSBQ-UHFFFAOYSA-N 0 0 339.822 4.774 50 0 EJAARN Cc1nc2cc(NC(=O)c3ccc(COc4ccccc4)o3)ccc2o1 ZINC000009578701 211104588 /nfs/dbraw/zinc/10/45/88/211104588.db2.gz BTLOKALFHIDKLW-UHFFFAOYSA-N 0 0 348.358 4.561 50 0 EJAARN CCOc1ccc2oc(C(=O)N3CCC[C@@H]4CCCC[C@H]43)c(C)c2c1 ZINC000009536016 211099250 /nfs/dbraw/zinc/09/92/50/211099250.db2.gz ZWRWLGWDGKOTEK-MAUKXSAKSA-N 0 0 341.451 4.935 50 0 EJAARN CC(C)[C@@H]1c2cccn2CCN1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000009528278 211099015 /nfs/dbraw/zinc/09/90/15/211099015.db2.gz XARYYVSLLRAUDX-MRXNPFEDSA-N 0 0 335.810 4.525 50 0 EJAARN Cc1c(Cl)cccc1NC(=O)N1CCn2cccc2[C@H]1C(C)C ZINC000009528287 211098240 /nfs/dbraw/zinc/09/82/40/211098240.db2.gz NQXVKCDJHJCVET-QGZVFWFLSA-N 0 0 331.847 4.695 50 0 EJAARN Cc1ccc(NC(=O)c2cc3c(s2)-c2ccsc2CC3)nc1 ZINC000009527212 211097552 /nfs/dbraw/zinc/09/75/52/211097552.db2.gz MWAKLWPGNLYQIW-UHFFFAOYSA-N 0 0 326.446 4.531 50 0 EJAARN CC1=C(C)[C@H](Sc2ccc(F)cc2)N(Cc2ccccc2)C1=O ZINC000009434529 211083435 /nfs/dbraw/zinc/08/34/35/211083435.db2.gz HPHDWWLTWSMPAC-IBGZPJMESA-N 0 0 327.424 4.623 50 0 EJAARN Cc1csc(Cc2nc(-c3c(C)[nH]c4ccccc43)cs2)n1 ZINC000009385992 211076924 /nfs/dbraw/zinc/07/69/24/211076924.db2.gz PJIHRTPXQHRVMC-UHFFFAOYSA-N 0 0 325.462 4.956 50 0 EJAARN O=C(Cc1c(F)cccc1Cl)Nc1ccc(-c2nccs2)cc1 ZINC000009377771 211077447 /nfs/dbraw/zinc/07/74/47/211077447.db2.gz VEBDQRURPJERMX-UHFFFAOYSA-N 0 0 346.814 4.784 50 0 EJAARN CCCCN1C(=O)c2ccccc2[C@H]1c1c(C)n(C)c2ccccc21 ZINC000009355464 211073331 /nfs/dbraw/zinc/07/33/31/211073331.db2.gz PKWQHYZIJZWOED-NRFANRHFSA-N 0 0 332.447 4.832 50 0 EJAARN O=C(c1ccc(Cl)s1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000009337745 211070806 /nfs/dbraw/zinc/07/08/06/211070806.db2.gz IDVLWUHANYPYSZ-NSHDSACASA-N 0 0 348.880 4.989 50 0 EJAARN CCCCC(=O)Nc1ccc(O)c(-c2nc3cc(C)cc(C)c3o2)c1 ZINC000009306157 211063283 /nfs/dbraw/zinc/06/32/83/211063283.db2.gz TVFQPXSGFDYURU-UHFFFAOYSA-N 0 0 338.407 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0 0 334.467 4.702 50 0 EJAARN COc1ccc([C@H](C)N(C)C(=O)c2cccc3c(C)c(C)[nH]c32)cc1 ZINC000096164870 258067775 /nfs/dbraw/zinc/06/77/75/258067775.db2.gz YBSRJBPPBQDKHC-HNNXBMFYSA-N 0 0 336.435 4.627 50 0 EJAARN CCC(=O)Nc1ccc2c(c1)C(N(CC)CC)=Nc1ccccc1O2 ZINC000102802678 258069735 /nfs/dbraw/zinc/06/97/35/258069735.db2.gz ICBPTSWVLMQHKA-UHFFFAOYSA-N 0 0 337.423 4.561 50 0 EJAARN CCC(CC)n1ncc(C)c1NC(=O)N(C)[C@@H](CC)c1cccnc1 ZINC000299765263 258080088 /nfs/dbraw/zinc/08/00/88/258080088.db2.gz DJKLTEHCQBBBHM-KRWDZBQOSA-N 0 0 343.475 4.563 50 0 EJAARN CCC(CC)n1ncc(C)c1NC(=O)N(C)[C@H](CC)c1cccnc1 ZINC000299765265 258080211 /nfs/dbraw/zinc/08/02/11/258080211.db2.gz DJKLTEHCQBBBHM-QGZVFWFLSA-N 0 0 343.475 4.563 50 0 EJAARN Cc1ccc(NC(=O)N2CCSc3nc(C)cc(C)c32)c(Cl)c1 ZINC000035477646 132390272 /nfs/dbraw/zinc/39/02/72/132390272.db2.gz UASIEOKMTBPXCV-UHFFFAOYSA-N 0 0 347.871 4.804 50 0 EJAARN CC1CCN(c2nc(-c3ccc(Cl)cc3)cc(C(F)F)n2)CC1 ZINC000036613754 132391953 /nfs/dbraw/zinc/39/19/53/132391953.db2.gz RLCOGGPYXGKDFI-UHFFFAOYSA-N 0 0 337.801 4.971 50 0 EJAARN O=C(Nc1cccc(N2CCCCC2=O)c1)Nc1ccccc1Cl ZINC000038698823 132397529 /nfs/dbraw/zinc/39/75/29/132397529.db2.gz JOPAMPQBGCJMFI-UHFFFAOYSA-N 0 0 343.814 4.501 50 0 EJAARN Cc1nc(-c2ccc(C(=O)N3CCCc4ccccc43)cc2)cs1 ZINC000064677363 132807002 /nfs/dbraw/zinc/80/70/02/132807002.db2.gz FVQZALCGJLXUSI-UHFFFAOYSA-N 0 0 334.444 4.712 50 0 EJAARN O=C(CCN1c2ccccc2Sc2ccccc21)Nc1ccccn1 ZINC000065595479 132810622 /nfs/dbraw/zinc/81/06/22/132810622.db2.gz WTAFVALCGQGPKJ-UHFFFAOYSA-N 0 0 347.443 4.713 50 0 EJAARN COc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1 ZINC000000317068 135648702 /nfs/dbraw/zinc/64/87/02/135648702.db2.gz AXDXQDLSZLVWCI-UHFFFAOYSA-N 0 0 344.842 4.591 50 0 EJAARN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccccc1N1CCCCC1 ZINC000000520734 135651638 /nfs/dbraw/zinc/65/16/38/135651638.db2.gz UXDGBCIQPILPOX-JLHYYAGUSA-N 0 0 340.854 4.982 50 0 EJAARN C[C@@H]1C[C@@H](C)CN(c2nc(-c3ccccc3F)nc3ccccc32)C1 ZINC000002212599 135656759 /nfs/dbraw/zinc/65/67/59/135656759.db2.gz CFBQVHQSIOEIPP-HUUCEWRRSA-N 0 0 335.426 4.918 50 0 EJAARN Cc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1 ZINC000004320343 135663701 /nfs/dbraw/zinc/66/37/01/135663701.db2.gz IYQNEJZTLTVZFW-FQEVSTJZSA-N 0 0 332.378 4.905 50 0 EJAARN Cc1ccc(-c2cc3ccccc3nc2N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000005342367 135671059 /nfs/dbraw/zinc/67/10/59/135671059.db2.gz KOOXOTGGCKGOBM-CALCHBBNSA-N 0 0 332.447 4.824 50 0 EJAARN CC[C@@H]1CN(C(=O)Nc2cccc(Cl)c2)c2cc(C)ccc2O1 ZINC000006843102 135677761 /nfs/dbraw/zinc/67/77/61/135677761.db2.gz WLORBAYBTYFRST-OAHLLOKOSA-N 0 0 330.815 4.858 50 0 EJAARN Cc1ccc2c(c1)N(C(=O)Nc1cccc(Cl)c1C)C[C@@H](C)O2 ZINC000006842783 135677795 /nfs/dbraw/zinc/67/77/95/135677795.db2.gz VNZATUQUBBHAKK-GFCCVEGCSA-N 0 0 330.815 4.776 50 0 EJAARN CC[C@@H]1CN(C(=O)NCc2ccc(C)cc2)c2ccccc2S1 ZINC000006877061 135678111 /nfs/dbraw/zinc/67/81/11/135678111.db2.gz KPNHQGYRXIALIJ-MRXNPFEDSA-N 0 0 326.465 4.596 50 0 EJAARN CC[C@@H]1CN(C(=O)Nc2cc(C)ccc2OC)c2ccccc2S1 ZINC000006877053 135678142 /nfs/dbraw/zinc/67/81/42/135678142.db2.gz AHMZXDKAUXPOQL-CQSZACIVSA-N 0 0 342.464 4.926 50 0 EJAARN O=c1c2ccccc2scc1N1CCC(Cc2ccccc2)CC1 ZINC000009582585 135687538 /nfs/dbraw/zinc/68/75/38/135687538.db2.gz YIRNJUJMMUJWNE-UHFFFAOYSA-N 0 0 335.472 4.721 50 0 EJAARN COc1cccc(NC(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1 ZINC000011557016 135690463 /nfs/dbraw/zinc/69/04/63/135690463.db2.gz UGADIWWKXMZESF-UHFFFAOYSA-N 0 0 339.439 4.576 50 0 EJAARN Cc1ccccc1[C@@H](CC(=O)N1CCCc2ccccc21)n1cccc1 ZINC000020998671 135723186 /nfs/dbraw/zinc/72/31/86/135723186.db2.gz XYXFKGBWNMNDII-JOCHJYFZSA-N 0 0 344.458 4.755 50 0 EJAARN CC(C)c1ccc(NC(=O)CN2C[C@H](C)Sc3ccccc32)cc1 ZINC000021019971 135723448 /nfs/dbraw/zinc/72/34/48/135723448.db2.gz NESJXRQCDPEUJO-HNNXBMFYSA-N 0 0 340.492 4.749 50 0 EJAARN CC[C@@H](C)NC(=O)c1ccc(CSCc2ccc(Cl)cc2)o1 ZINC000000261435 209507657 /nfs/dbraw/zinc/50/76/57/209507657.db2.gz DPHPSUIKXLKJBO-GFCCVEGCSA-N 0 0 337.872 4.895 50 0 EJAARN O=C(c1csc(-c2cccs2)n1)N1CC2(CC2)c2ccccc21 ZINC000172429611 227692735 /nfs/dbraw/zinc/69/27/35/227692735.db2.gz LWBRUOIPXBZRBM-UHFFFAOYSA-N 0 0 338.457 4.564 50 0 EJAARN CCc1cccc(C)c1NC(=O)COc1cccc(Cl)c1Cl ZINC000004841745 524063318 /nfs/dbraw/zinc/06/33/18/524063318.db2.gz GFXMVYJRBQITED-UHFFFAOYSA-N 0 0 338.234 4.882 50 0 EJAARN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC(=O)[C@@H]3[C@H]4CCC[C@@]4(C)CC[C@H]32)C1 ZINC000254750293 534778800 /nfs/dbraw/zinc/77/88/00/534778800.db2.gz KLFLXXSXHKVJTP-VMXMZTHUSA-N 0 0 332.484 4.530 50 0 EJAARN Cc1ccc(S(=O)(=O)N2c3ccc(C)cc3C(C)=CC2(C)C)cc1 ZINC000000055079 525560767 /nfs/dbraw/zinc/56/07/67/525560767.db2.gz LZJDHKWIGJESRE-UHFFFAOYSA-N 0 0 341.476 4.694 50 0 EJAARN O=C(C1c2ccccc2Oc2ccccc21)N1CCCc2ccccc21 ZINC000000061374 526314264 /nfs/dbraw/zinc/31/42/64/526314264.db2.gz SLUVVHJNUKHHRK-UHFFFAOYSA-N 0 0 341.410 4.904 50 0 EJAARN Cc1nc(CNc2cc(NC(=O)OC(C)(C)C)ccc2C)oc1C ZINC000096483970 526895521 /nfs/dbraw/zinc/89/55/21/526895521.db2.gz HEAOGYGSBJEELU-UHFFFAOYSA-N 0 0 331.416 4.559 50 0 EJAARN CCOc1ccc(NCc2nnc(-c3cccc(Cl)c3)o2)c(C)c1 ZINC000133409779 528554536 /nfs/dbraw/zinc/55/45/36/528554536.db2.gz PIFPHXTUGNHTGE-UHFFFAOYSA-N 0 0 343.814 4.709 50 0 EJAARN CC(C)C[C@H]1CC(=O)Oc2ccc3c(c21)OC1(CCCCC1)CC3=O ZINC000218073237 535325746 /nfs/dbraw/zinc/32/57/46/535325746.db2.gz UTGPKJRGVZQZHC-AWEZNQCLSA-N 0 0 342.435 4.794 50 0 biogenic EJAARN CC[C@@H](C(=O)NCc1cncc(-c2cccs2)c1)c1ccccc1 ZINC000225663783 535421557 /nfs/dbraw/zinc/42/15/57/535421557.db2.gz NMXVPOLWXNBMCA-GOSISDBHSA-N 0 0 336.460 4.620 50 0 EJAARN CCc1c(C)nc2c(-c3ccccc3)c(C)nn2c1N1CCC(C)CC1 ZINC000002232395 536069837 /nfs/dbraw/zinc/06/98/37/536069837.db2.gz YWGIFZHUZLZERM-UHFFFAOYSA-N 0 0 348.494 4.812 50 0 EJAARN O=C(Nc1cc(Br)ccc1C1CC1)c1ccc(F)cc1 ZINC000013945503 563732424 /nfs/dbraw/zinc/73/24/24/563732424.db2.gz DOIIMMPWFGANGP-UHFFFAOYSA-N 0 0 334.188 4.718 50 0 EJAARN C[C@H](Sc1ccc(N)cc1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000017071351 563834228 /nfs/dbraw/zinc/83/42/28/563834228.db2.gz UFQQJJYAJZRBLS-VIFPVBQESA-N 0 0 341.263 4.695 50 0 EJAARN CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(F)c(F)c1 ZINC000065337363 563958044 /nfs/dbraw/zinc/95/80/44/563958044.db2.gz OAUWBPIKAQYWJI-UHFFFAOYSA-N 0 0 329.343 4.641 50 0 EJAARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccccc2Br)cc1 ZINC000000431401 563999474 /nfs/dbraw/zinc/99/94/74/563999474.db2.gz VPSGVFWNZTWCAW-MRXNPFEDSA-N 0 0 348.265 4.536 50 0 EJAARN CCOC(=O)C[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000082238001 564051087 /nfs/dbraw/zinc/05/10/87/564051087.db2.gz XXGMGHNYWPBFNH-INIZCTEOSA-N 0 0 333.225 4.534 50 0 EJAARN C[C@@H](Cc1cccs1)NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000003211393 564058486 /nfs/dbraw/zinc/05/84/86/564058486.db2.gz NWRIPNRJFCKELY-JTQLQIEISA-N 0 0 328.359 4.520 50 0 EJAARN COc1c(Cl)ccc(Cl)c1C(=O)Nc1ccc(F)cc1F ZINC000003168089 564155562 /nfs/dbraw/zinc/15/55/62/564155562.db2.gz KLKSUYMCAGAQBE-UHFFFAOYSA-N 0 0 332.133 4.533 50 0 EJAARN COc1ccc(C(=O)CCSc2ccc(Cl)cc2)cc1OC ZINC000002531708 564150446 /nfs/dbraw/zinc/15/04/46/564150446.db2.gz NPRBLIFVYDAPJP-UHFFFAOYSA-N 0 0 336.840 4.722 50 0 EJAARN Cc1ccc2oc(=O)c(-c3cccc(Br)c3)c(C)c2c1 ZINC000000057816 563213738 /nfs/dbraw/zinc/21/37/38/563213738.db2.gz DFHSDHPGVFZGQH-UHFFFAOYSA-N 0 0 329.193 4.839 50 0 EJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccc(Cl)c1 ZINC000000440132 563313467 /nfs/dbraw/zinc/31/34/67/563313467.db2.gz AZEQGEPXRAXSPR-UHFFFAOYSA-N 0 0 330.693 4.883 50 0 EJAARN COc1cc(CO)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000000471110 563331524 /nfs/dbraw/zinc/33/15/24/563331524.db2.gz ZQELLMMFSJKJNL-UHFFFAOYSA-N 0 0 347.625 4.727 50 0 EJAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1F ZINC000000475182 563333871 /nfs/dbraw/zinc/33/38/71/563333871.db2.gz PTHNCVSAJLDKDY-SECBINFHSA-N 0 0 328.170 4.539 50 0 EJAARN Cc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000000577986 563350975 /nfs/dbraw/zinc/35/09/75/563350975.db2.gz SZUUTBSFKFRELS-UHFFFAOYSA-N 0 0 327.733 4.848 50 0 EJAARN CC(=O)c1cn(Cc2ccc(Br)cc2)c2ccccc12 ZINC000000612706 563355731 /nfs/dbraw/zinc/35/57/31/563355731.db2.gz RRGQXYDGQSMRDJ-UHFFFAOYSA-N 0 0 328.209 4.655 50 0 EJAARN C[C@]1(C(=O)NCc2ccco2)CC2c3ccccc3C1c1ccccc12 ZINC000000033325 563211769 /nfs/dbraw/zinc/21/17/69/563211769.db2.gz VFPSYDSGTZBDKM-BBHUYCHWSA-N 0 0 343.426 4.583 50 0 EJAARN Cc1ccccc1C(=O)Nc1ccccc1NC(=O)c1ccccc1C ZINC000000038633 563212486 /nfs/dbraw/zinc/21/24/86/563212486.db2.gz HEUIKSBHKZREBW-UHFFFAOYSA-N 0 0 344.414 4.808 50 0 EJAARN O=C([C@@H](Sc1ccccc1)c1ccccc1)N1CCCCCC1 ZINC000000039000 563212519 /nfs/dbraw/zinc/21/25/19/563212519.db2.gz LVHBBFLSPULZSX-IBGZPJMESA-N 0 0 325.477 4.923 50 0 EJAARN O=C(CSc1ccc(Cl)cc1)Nc1ccc(F)c(Cl)c1 ZINC000000060066 563214077 /nfs/dbraw/zinc/21/40/77/563214077.db2.gz IVSONCCKUMTPBT-UHFFFAOYSA-N 0 0 330.211 4.863 50 0 EJAARN CC(=O)Nc1ccc(NC(=O)c2c(Cl)cccc2Cl)c(C)c1 ZINC000000067898 563214424 /nfs/dbraw/zinc/21/44/24/563214424.db2.gz UKPFLZDFSBHXOL-UHFFFAOYSA-N 0 0 337.206 4.513 50 0 EJAARN S=C(NCCc1ccccc1)Nc1c(Cl)cccc1Cl ZINC000000071617 563215365 /nfs/dbraw/zinc/21/53/65/563215365.db2.gz GGZKBXVGDIISFQ-UHFFFAOYSA-N 0 0 325.264 4.523 50 0 EJAARN Cc1ccc(Nc2nc(Cl)nc(Nc3ccc(C)cc3)n2)cc1 ZINC000000075658 563216910 /nfs/dbraw/zinc/21/69/10/563216910.db2.gz QNBNEVDEANWKFB-UHFFFAOYSA-N 0 0 325.803 4.629 50 0 EJAARN COc1ccccc1OC(=O)NC1c2ccccc2Oc2ccccc21 ZINC000000078353 563217852 /nfs/dbraw/zinc/21/78/52/563217852.db2.gz WIKXFGSTUUHZET-UHFFFAOYSA-N 0 0 347.370 4.679 50 0 EJAARN Cc1cc(C)cc(Sc2ccc3nnc(-c4ccccc4)n3n2)c1 ZINC000000078842 563217898 /nfs/dbraw/zinc/21/78/98/563217898.db2.gz BXVQZGVTJJTEGL-UHFFFAOYSA-N 0 0 332.432 4.559 50 0 EJAARN COc1ccc2ccccc2c1-c1nnc2ccc3ccccc3n21 ZINC000000078554 563217911 /nfs/dbraw/zinc/21/79/11/563217911.db2.gz MKRQGIHLVHYBME-UHFFFAOYSA-N 0 0 325.371 4.711 50 0 EJAARN O=C(Nc1nc2c(s1)Cc1ccccc1-2)c1ccc(F)c(Cl)c1 ZINC000000081596 563218584 /nfs/dbraw/zinc/21/85/84/563218584.db2.gz PXCQXSIOQJFMMQ-UHFFFAOYSA-N 0 0 344.798 4.759 50 0 EJAARN CCc1c(C(=O)c2ccc(C)cc2)oc2ccc3c(C)cc(=O)oc3c21 ZINC000000082519 563218988 /nfs/dbraw/zinc/21/89/88/563218988.db2.gz BITTUQPFWHJUJT-UHFFFAOYSA-N 0 0 346.382 4.949 50 0 biogenic EJAARN COc1cccc(C2CCN(C(=O)c3cccc4ccccc43)CC2)c1 ZINC000000083546 563219291 /nfs/dbraw/zinc/21/92/91/563219291.db2.gz HWYQWLDHHREKGT-UHFFFAOYSA-N 0 0 345.442 4.868 50 0 EJAARN C[C@H]1CN=C(N(C(=O)Nc2ccc(Cl)cc2)c2ccccc2)S1 ZINC000000086877 563220824 /nfs/dbraw/zinc/22/08/24/563220824.db2.gz MDBYKBAUPLVXQS-LBPRGKRZSA-N 0 0 345.855 4.870 50 0 EJAARN Clc1ccc(CSc2nnc(COc3ccccc3)o2)cc1 ZINC000000087604 563221179 /nfs/dbraw/zinc/22/11/79/563221179.db2.gz ZROMCEXTEQYNDW-UHFFFAOYSA-N 0 0 332.812 4.594 50 0 EJAARN Cc1c2ccc(O)cc2oc(=O)c1Cc1c(Cl)cccc1Cl ZINC000000088721 563221518 /nfs/dbraw/zinc/22/15/18/563221518.db2.gz CYMCQUQRZAYYLI-UHFFFAOYSA-N 0 0 335.186 4.705 50 0 EJAARN CC1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1 ZINC000000090977 563222085 /nfs/dbraw/zinc/22/20/85/563222085.db2.gz KOYRPWCJHWSCQR-UHFFFAOYSA-N 0 0 337.286 4.809 50 0 EJAARN COc1ccccc1NC(=S)NC(c1ccccc1)c1ccccc1 ZINC000000093869 563223192 /nfs/dbraw/zinc/22/31/92/563223192.db2.gz KJBLTBXBCAPZHN-UHFFFAOYSA-N 0 0 348.471 4.771 50 0 EJAARN O=C1C[C@@H](c2ccccc2C(F)(F)F)c2cc3c(cc2N1)CCC3 ZINC000000094982 563223848 /nfs/dbraw/zinc/22/38/48/563223848.db2.gz GFHPLRXJCHBZRY-AWEZNQCLSA-N 0 0 331.337 4.668 50 0 EJAARN Cc1ccc(-c2csc3[nH]c(=S)n(-c4ccccc4)c(=O)c23)o1 ZINC000000102703 563226530 /nfs/dbraw/zinc/22/65/30/563226530.db2.gz DLEDXCLUNJGJEM-UHFFFAOYSA-N 0 0 340.429 4.678 50 0 EJAARN Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2F)cc1 ZINC000000104532 563226933 /nfs/dbraw/zinc/22/69/33/563226933.db2.gz WGVPYFFGUONXIF-HXUWFJFHSA-N 0 0 332.378 4.905 50 0 EJAARN Cc1nnc(-c2cc(-c3ccc(Cl)cc3)oc2C(F)(F)F)o1 ZINC000000110843 563229619 /nfs/dbraw/zinc/22/96/19/563229619.db2.gz YYEUCDCGCLFOCU-UHFFFAOYSA-N 0 0 328.677 4.977 50 0 EJAARN c1s/c(=N/c2ccccc2)n(Cc2cccnc2)c1-c1ccccc1 ZINC000000114242 563231215 /nfs/dbraw/zinc/23/12/15/563231215.db2.gz SPGWDSRXEQHWPK-XTQSDGFTSA-N 0 0 343.455 4.892 50 0 EJAARN Fc1ccc(-c2nc(-c3ccc(C(F)(F)F)cn3)no2)c(Cl)c1 ZINC000000114221 563231268 /nfs/dbraw/zinc/23/12/68/563231268.db2.gz IGXLPBXDBOFVDD-UHFFFAOYSA-N 0 0 343.667 4.610 50 0 EJAARN CCOC(=O)c1sc(SCc2ccccc2)c2c1CCCC2=O ZINC000000125868 563236537 /nfs/dbraw/zinc/23/65/37/563236537.db2.gz HHGLCIVVJISXCA-UHFFFAOYSA-N 0 0 346.473 4.736 50 0 EJAARN Cc1ccc(NC(=O)c2ccc(OC(=O)c3ccccc3F)cc2)cc1 ZINC000000132052 563238755 /nfs/dbraw/zinc/23/87/55/563238755.db2.gz OZBZAWIIMGKTEX-UHFFFAOYSA-N 0 0 349.361 4.606 50 0 EJAARN FC(F)(F)c1cc(Cl)c2nc(-c3ccc(Cl)cc3)nn2c1 ZINC000000133174 563239174 /nfs/dbraw/zinc/23/91/74/563239174.db2.gz UWHAXBNAQISAKS-UHFFFAOYSA-N 0 0 332.112 4.722 50 0 EJAARN O=C(/C=C/c1ccco1)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000000134180 563239808 /nfs/dbraw/zinc/23/98/08/563239808.db2.gz HRNKTLRNFCSUDF-VOTSOKGWSA-N 0 0 344.823 4.632 50 0 EJAARN Cc1ccc(NC(=O)N(C2=NC[C@@H](C)S2)c2ccc(C)cc2)cc1 ZINC000000135401 563240048 /nfs/dbraw/zinc/24/00/48/563240048.db2.gz FPTDJZLMDXYEHJ-OAHLLOKOSA-N 0 0 339.464 4.833 50 0 EJAARN Cc1ccccc1COc1ccccc1C(=O)NCc1cccs1 ZINC000006083067 563240079 /nfs/dbraw/zinc/24/00/79/563240079.db2.gz FKYVLQYPIOLENV-UHFFFAOYSA-N 0 0 337.444 4.566 50 0 EJAARN Nc1nc(-c2ccc(Cl)cc2)nc2sc3c(c21)CCCCC3 ZINC000000137202 563240720 /nfs/dbraw/zinc/24/07/20/563240720.db2.gz JTKAPNKPJVQALH-UHFFFAOYSA-N 0 0 329.856 4.863 50 0 EJAARN CCOC(=O)[C@H](c1ccccc1)[C@@H](Nc1ccccc1)c1ccccn1 ZINC000000138266 563241275 /nfs/dbraw/zinc/24/12/75/563241275.db2.gz IONRWHILWJCPNA-RTWAWAEBSA-N 0 0 346.430 4.582 50 0 EJAARN CC(C)(C)C(=O)c1sc2sc(C(=O)C(C)(C)C)c(N)c2c1N ZINC000000140620 563241940 /nfs/dbraw/zinc/24/19/40/563241940.db2.gz HPWWLMVQIYHLNN-UHFFFAOYSA-N 0 0 338.498 4.585 50 0 EJAARN CCCC(=O)Nc1ccc(Oc2ccc(NC(=O)CCC)cc2)cc1 ZINC000000143499 563243302 /nfs/dbraw/zinc/24/33/02/563243302.db2.gz GECXEOZZHGCNHN-UHFFFAOYSA-N 0 0 340.423 4.956 50 0 EJAARN COc1ccc(C)cc1NC(=O)COc1ccc(-c2ccccc2)cc1 ZINC000000145207 563243987 /nfs/dbraw/zinc/24/39/87/563243987.db2.gz HUPOUDKIWLWBJD-UHFFFAOYSA-N 0 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S=C(SCSc1nc2ccccc2s1)N1CCCCC1 ZINC000000536738 563343431 /nfs/dbraw/zinc/34/34/31/563343431.db2.gz WVUCVVOFGNPINX-UHFFFAOYSA-N 0 0 340.564 4.850 50 0 EJAARN Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1ccncc1 ZINC000000546590 563344484 /nfs/dbraw/zinc/34/44/84/563344484.db2.gz POFLMCHXFSYPDB-UHFFFAOYSA-N 0 0 339.398 4.858 50 0 EJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccccc1Cl ZINC000000554541 563345119 /nfs/dbraw/zinc/34/51/19/563345119.db2.gz IBVFZYNARZAJSE-UHFFFAOYSA-N 0 0 330.693 4.883 50 0 EJAARN O=C(CCC(=O)c1ccc(F)cc1)Nc1ccc(Cl)cc1Cl ZINC000000559628 563347000 /nfs/dbraw/zinc/34/70/00/563347000.db2.gz VMXWFFOHOMVJMP-UHFFFAOYSA-N 0 0 340.181 4.734 50 0 EJAARN Cc1cc(Br)c(NC(=O)c2ccccc2Cl)cc1C ZINC000000565888 563347560 /nfs/dbraw/zinc/34/75/60/563347560.db2.gz PJRIAQUKIZPHTC-UHFFFAOYSA-N 0 0 338.632 4.972 50 0 EJAARN Cc1cc(Br)c(NC(=O)c2ccc(Cl)cc2)cc1C ZINC000000565887 563347661 /nfs/dbraw/zinc/34/76/61/563347661.db2.gz NVVGALSYMRJQOS-UHFFFAOYSA-N 0 0 338.632 4.972 50 0 EJAARN 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CC[C@@H](C)c1ccccc1NS(=O)(=O)c1c(C)cc(C)cc1C ZINC000000859746 563365235 /nfs/dbraw/zinc/36/52/35/563365235.db2.gz JPKOIPRXKQNLGP-CQSZACIVSA-N 0 0 331.481 4.926 50 0 EJAARN Cc1ccc(C(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1 ZINC000000993204 563367332 /nfs/dbraw/zinc/36/73/32/563367332.db2.gz NNANDQTUQDGXHX-UHFFFAOYSA-N 0 0 345.398 4.509 50 0 EJAARN Cc1ccc(NC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)cc1 ZINC000001016833 563368632 /nfs/dbraw/zinc/36/86/32/563368632.db2.gz GJFMVVDKMYZIOG-INIZCTEOSA-N 0 0 335.363 4.564 50 0 EJAARN Cc1ccc([C@@H]2c3ccccc3C(=O)N2c2ccc(N(C)C)cc2)cc1 ZINC000001027314 563369367 /nfs/dbraw/zinc/36/93/67/563369367.db2.gz YJUWOKCLUZXKNN-JOCHJYFZSA-N 0 0 342.442 4.811 50 0 EJAARN O=C(CCC1CCCCC1)Nc1ccc(C(=O)c2ccncc2)cc1 ZINC000001058336 563371474 /nfs/dbraw/zinc/37/14/74/563371474.db2.gz NHSWSMWHILARJG-UHFFFAOYSA-N 0 0 336.435 4.612 50 0 EJAARN Nc1nc(S[C@@H](c2ccccc2)c2ccc(Cl)cc2)ns1 ZINC000001099715 563374479 /nfs/dbraw/zinc/37/44/79/563374479.db2.gz IRYHHEKUUCURIC-ZDUSSCGKSA-N 0 0 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/nfs/dbraw/zinc/42/62/00/563426200.db2.gz IQLRVDFASYJQCY-UHFFFAOYSA-N 0 0 347.484 4.543 50 0 EJAARN CCCCCn1c(-c2ccc(F)cc2)nc2nc3ccccc3nc21 ZINC000002234537 563427718 /nfs/dbraw/zinc/42/77/18/563427718.db2.gz CJBNEIGKIXDCEI-UHFFFAOYSA-N 0 0 334.398 4.976 50 0 EJAARN Cc1cccc(NC(=O)CSc2nc3cc(Cl)ccc3s2)c1 ZINC000002395323 563431655 /nfs/dbraw/zinc/43/16/55/563431655.db2.gz PKVBVMVWHKXFBO-UHFFFAOYSA-N 0 0 348.880 4.989 50 0 EJAARN O=C(Cc1cccc(Br)c1)c1ccc(C(F)(F)F)cc1 ZINC000002393035 563431691 /nfs/dbraw/zinc/43/16/91/563431691.db2.gz LTDFAEGYOSCTDK-UHFFFAOYSA-N 0 0 343.142 4.893 50 0 EJAARN CC(C)n1c2ccccc2nc1NCc1ccc(Br)cc1 ZINC000002478054 563433508 /nfs/dbraw/zinc/43/35/08/563433508.db2.gz AFLSJFCCDCGEOU-UHFFFAOYSA-N 0 0 344.256 4.992 50 0 EJAARN O=C(CCc1cccc(Br)c1)c1ccc(F)c(F)c1 ZINC000002516737 563437757 /nfs/dbraw/zinc/43/77/57/563437757.db2.gz PFNTUJDWHFJWLR-UHFFFAOYSA-N 0 0 325.152 4.543 50 0 EJAARN CCOC(=O)CCCCCCC(=O)c1cccc(C(F)(F)F)c1 ZINC000002580327 563443218 /nfs/dbraw/zinc/44/32/18/563443218.db2.gz CGUPIRGEDYNVJF-UHFFFAOYSA-N 0 0 330.346 4.792 50 0 EJAARN CC(C)CNC(=O)c1cc2sccc2n1[C@@H](C)c1ccccc1 ZINC000034680165 563449554 /nfs/dbraw/zinc/44/95/54/563449554.db2.gz QFJWJDDRJRQSAP-AWEZNQCLSA-N 0 0 326.465 4.698 50 0 EJAARN CCc1cccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c1 ZINC000002763346 563449751 /nfs/dbraw/zinc/44/97/51/563449751.db2.gz RVHPPXIAARPMOX-UHFFFAOYSA-N 0 0 339.366 4.812 50 0 EJAARN CC(C)c1ccc(OCC(=O)Nc2nc(C(C)(C)C)cs2)cc1 ZINC000002828473 563453292 /nfs/dbraw/zinc/45/32/92/563453292.db2.gz GZOAXXQPRIUDDO-UHFFFAOYSA-N 0 0 332.469 4.582 50 0 EJAARN COc1ccc(NCC(=O)n2c3ccccc3c3ccccc32)cc1 ZINC000002826451 563453297 /nfs/dbraw/zinc/45/32/97/563453297.db2.gz SBYFJOIDFMMQLF-UHFFFAOYSA-N 0 0 330.387 4.555 50 0 EJAARN O=C(CCNc1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000002841933 563454662 /nfs/dbraw/zinc/45/46/62/563454662.db2.gz WIJWWKRISWHQEW-UHFFFAOYSA-N 0 0 338.632 4.787 50 0 EJAARN CCCOc1ccc(NC(=O)c2c(C)onc2-c2ccccc2)cc1 ZINC000002843673 563455004 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O=C(NCCSCc1ccc(Cl)cc1)c1ccccc1Cl ZINC000002982042 563465707 /nfs/dbraw/zinc/46/57/07/563465707.db2.gz ZXQFQQZOISUVEM-UHFFFAOYSA-N 0 0 340.275 4.657 50 0 EJAARN COc1cc(C=O)ccc1OCCCOc1cc(C)c(C)cc1Cl ZINC000002983675 563465808 /nfs/dbraw/zinc/46/58/08/563465808.db2.gz XMXPIORRLKFWOZ-UHFFFAOYSA-N 0 0 348.826 4.626 50 0 EJAARN C/C=C/c1ccc(OCCCOc2ccccc2C(C)=O)c(OC)c1 ZINC000002985220 563466457 /nfs/dbraw/zinc/46/64/57/563466457.db2.gz KWQUOYDXRXWHTP-XBXARRHUSA-N 0 0 340.419 4.779 50 0 EJAARN Cc1cc(OCCOc2cccc3cccnc32)c(C)cc1Cl ZINC000002985686 563466959 /nfs/dbraw/zinc/46/69/59/563466959.db2.gz UHZNJMPEZDPXFV-UHFFFAOYSA-N 0 0 327.811 4.963 50 0 EJAARN Brc1cccc(-c2nnc(SCc3ccccc3)o2)c1 ZINC000002987347 563467557 /nfs/dbraw/zinc/46/75/57/563467557.db2.gz BUNOSLQMNRGNBJ-UHFFFAOYSA-N 0 0 347.237 4.791 50 0 EJAARN Cc1ccc2nc(-c3ccc(NC(=O)Cc4ccccc4)cc3)oc2c1 ZINC000003002545 563469141 /nfs/dbraw/zinc/46/91/41/563469141.db2.gz HYPSTRORBZNJTF-UHFFFAOYSA-N 0 0 342.398 4.984 50 0 EJAARN CCOc1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000003039016 563469878 /nfs/dbraw/zinc/46/98/78/563469878.db2.gz LRBUBUHAIVWLPS-UHFFFAOYSA-N 0 0 331.415 4.856 50 0 EJAARN O=C(NCCc1ccc(Cl)cc1)c1ccccc1-c1ccccc1 ZINC000003127136 563473221 /nfs/dbraw/zinc/47/32/21/563473221.db2.gz FRVRUZFGGILJME-UHFFFAOYSA-N 0 0 335.834 4.980 50 0 EJAARN CCCCOc1ccc(C(=O)NCc2ccc(C(C)C)cc2)cc1 ZINC000003132037 563474031 /nfs/dbraw/zinc/47/40/31/563474031.db2.gz OJFXLBOZKLWWTA-UHFFFAOYSA-N 0 0 325.452 4.919 50 0 EJAARN O=C(COC(=O)c1ccccc1Nc1ccccc1F)c1ccccc1 ZINC000003131725 563474082 /nfs/dbraw/zinc/47/40/82/563474082.db2.gz ZISBBNSXYPXIOR-UHFFFAOYSA-N 0 0 349.361 4.609 50 0 EJAARN C[C@@H]1Cc2ccccc2N1C(=O)C(c1ccccc1)c1ccccc1 ZINC000003178153 563475622 /nfs/dbraw/zinc/47/56/22/563475622.db2.gz PJTGLURIKMIAMP-QGZVFWFLSA-N 0 0 327.427 4.796 50 0 EJAARN C[C@H]1Cc2ccccc2N1C(=O)C(c1ccccc1)c1ccccc1 ZINC000003178152 563475644 /nfs/dbraw/zinc/47/56/44/563475644.db2.gz PJTGLURIKMIAMP-KRWDZBQOSA-N 0 0 327.427 4.796 50 0 EJAARN CC(C)(C)CC(=O)Nc1c(-c2cccc(Cl)c2)n[nH]c1C1CC1 ZINC000034793672 563479219 /nfs/dbraw/zinc/47/92/19/563479219.db2.gz AOJSAOKYPZALPI-UHFFFAOYSA-N 0 0 331.847 4.982 50 0 EJAARN CCCc1[nH]nc(-c2ccc(C)cc2C)c1NC(=O)c1ccccc1 ZINC000034794881 563479943 /nfs/dbraw/zinc/47/99/43/563479943.db2.gz OCXXHCXPKLMFSS-UHFFFAOYSA-N 0 0 333.435 4.898 50 0 EJAARN O=C(Nc1c(-c2ccc(C(F)(F)F)cc2)n[nH]c1C1CC1)C1CCC1 ZINC000034795557 563480320 /nfs/dbraw/zinc/48/03/20/563480320.db2.gz KNAAANPYPYSHRB-UHFFFAOYSA-N 0 0 349.356 4.712 50 0 EJAARN Cc1ccccc1Oc1ccc(NC(=O)Nc2cccc(F)c2)cn1 ZINC000034898348 563483268 /nfs/dbraw/zinc/48/32/68/563483268.db2.gz IWOTVBBFHGEBIQ-UHFFFAOYSA-N 0 0 337.354 4.965 50 0 EJAARN Cc1ccn2c(c1)nc(-c1cccc(F)c1F)c2NC(=O)CC(C)C ZINC000034914975 563484231 /nfs/dbraw/zinc/48/42/31/563484231.db2.gz DJZKFOAYRLEIAB-UHFFFAOYSA-N 0 0 343.377 4.573 50 0 EJAARN Cc1ccc(-c2nc3cc(C)ccn3c2NC(=O)C2CCCC2)cc1 ZINC000034912889 563485119 /nfs/dbraw/zinc/48/51/19/563485119.db2.gz OLGFMPGSOSZDCB-UHFFFAOYSA-N 0 0 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CC(C)Cc1ccc([C@@H](C)C2N=NC(=S)N2c2ccccc2)cc1 ZINC000006159739 563559891 /nfs/dbraw/zinc/55/98/91/563559891.db2.gz VGICELBGKHQNDQ-OAHLLOKOSA-N 0 0 337.492 4.906 50 0 EJAARN O=C(c1ccccc1)N1N=C(c2cccs2)C[C@H]1c1ccccc1 ZINC000006241773 563562339 /nfs/dbraw/zinc/56/23/39/563562339.db2.gz ILGUATBDSGMLHJ-SFHVURJKSA-N 0 0 332.428 4.740 50 0 EJAARN O=C(c1ccccc1)N1N=C(c2cccs2)C[C@@H]1c1ccccc1 ZINC000006242114 563562362 /nfs/dbraw/zinc/56/23/62/563562362.db2.gz ILGUATBDSGMLHJ-GOSISDBHSA-N 0 0 332.428 4.740 50 0 EJAARN CCCCCC(=O)Nc1ccc(Oc2ccccc2C(=O)OC)cc1 ZINC000006264000 563563010 /nfs/dbraw/zinc/56/30/10/563563010.db2.gz SEFQIMSKADXBJD-UHFFFAOYSA-N 0 0 341.407 4.784 50 0 EJAARN O=C(Nc1ccccc1Br)c1ccc(C(F)(F)F)cc1 ZINC000006338537 563565185 /nfs/dbraw/zinc/56/51/85/563565185.db2.gz NLBBFOBACIUAMA-UHFFFAOYSA-N 0 0 344.130 4.720 50 0 EJAARN CCCCCCc1cc(C(=O)Nc2cccc(Cl)c2)[nH]c(=S)n1 ZINC000006397215 563567177 /nfs/dbraw/zinc/56/71/77/563567177.db2.gz APUKNAROHFANHJ-UHFFFAOYSA-N 0 0 349.887 4.794 50 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/nfs/dbraw/zinc/73/65/41/563736541.db2.gz PTRWYLJQSBLIPO-NRFANRHFSA-N 0 0 348.446 4.713 50 0 EJAARN Clc1ccc(-c2nc(-c3cccc(Br)c3)no2)s1 ZINC000014074980 563737825 /nfs/dbraw/zinc/73/78/25/563737825.db2.gz RKVHAPPPRILHNW-UHFFFAOYSA-N 0 0 341.617 4.881 50 0 EJAARN CSc1ccc(-c2csc(-c3ccccn3)n2)cc1NC(C)=O ZINC000014103172 563740984 /nfs/dbraw/zinc/74/09/84/563740984.db2.gz IUEKPLVWADEOJY-UHFFFAOYSA-N 0 0 341.461 4.552 50 0 EJAARN O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(Cl)cc1F ZINC000014112158 563741714 /nfs/dbraw/zinc/74/17/14/563741714.db2.gz QEIPELIQGYBWDE-UHFFFAOYSA-N 0 0 344.773 4.705 50 0 EJAARN O=C(CCc1ncc(-c2ccccc2)o1)Nc1cccc(Cl)c1 ZINC000014136551 563743990 /nfs/dbraw/zinc/74/39/90/563743990.db2.gz ZCELZNBTTFCQRQ-UHFFFAOYSA-N 0 0 326.783 4.566 50 0 EJAARN COc1cc(C)ccc1Oc1nc(C(F)(F)F)nc2ccccc21 ZINC000014139395 563744966 /nfs/dbraw/zinc/74/49/66/563744966.db2.gz LMFVILSXAJTWOU-UHFFFAOYSA-N 0 0 334.297 4.758 50 0 EJAARN O=C(NCc1csc(-c2ccccc2)n1)Nc1cccc(Cl)c1 ZINC000014159839 563745554 /nfs/dbraw/zinc/74/55/54/563745554.db2.gz JJKHJXAIRNRJEG-UHFFFAOYSA-N 0 0 343.839 4.785 50 0 EJAARN O=C(c1ccc(C2SCCS2)cc1)N1CCCc2ccccc21 ZINC000014197779 563749719 /nfs/dbraw/zinc/74/97/19/563749719.db2.gz WCXZEBPCOBZXEG-UHFFFAOYSA-N 0 0 341.501 4.758 50 0 EJAARN CCCCc1ccc(CC(=O)Nc2cc3c(cc2Cl)OCO3)cc1 ZINC000014201117 563750478 /nfs/dbraw/zinc/75/04/78/563750478.db2.gz QIBKDDHTJMDBEW-UHFFFAOYSA-N 0 0 345.826 4.593 50 0 EJAARN CC1CCN(C(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000014235752 563753236 /nfs/dbraw/zinc/75/32/36/563753236.db2.gz QTVNUGJYRAFUGL-UHFFFAOYSA-N 0 0 335.447 4.575 50 0 EJAARN CC(C)c1c(C(=O)Nc2ccc(C(C)C)cc2)cnn1-c1ccccn1 ZINC000032815129 563753983 /nfs/dbraw/zinc/75/39/83/563753983.db2.gz LYAQMFFMTGVNAS-UHFFFAOYSA-N 0 0 348.450 4.766 50 0 EJAARN CC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000014242515 563754358 /nfs/dbraw/zinc/75/43/58/563754358.db2.gz NJQYPLUHWJJAJY-UHFFFAOYSA-N 0 0 346.386 4.690 50 0 EJAARN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccccc2SC)cc1 ZINC000014257199 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ZINC000004550150 563764872 /nfs/dbraw/zinc/76/48/72/563764872.db2.gz IZBRRZPLOMJPKF-NVNXTCNLSA-N 0 0 332.186 4.646 50 0 EJAARN c1csc(-c2nnc(SCc3coc(-c4ccccc4)n3)o2)c1 ZINC000014807255 563764882 /nfs/dbraw/zinc/76/48/82/563764882.db2.gz CBJKGJLZBZKKLY-UHFFFAOYSA-N 0 0 341.417 4.745 50 0 EJAARN CCc1ccc2c(c1)[C@H]1OCC[C@H]1[C@H](c1cc(OC)ccc1OC)N2 ZINC000015018285 563773557 /nfs/dbraw/zinc/77/35/57/563773557.db2.gz YBGRKMIQIUDPGD-RVHYNSKXSA-N 0 0 339.435 4.511 50 0 EJAARN Clc1ccccc1Oc1ccc(I)cc1 ZINC000015020583 563773579 /nfs/dbraw/zinc/77/35/79/563773579.db2.gz AQMCGEUNFUCHBG-UHFFFAOYSA-N 0 0 330.552 4.737 50 0 EJAARN Cc1c(Cl)c(CN2CCc3sccc3C2)nc2ccccc12 ZINC000032889936 563782440 /nfs/dbraw/zinc/78/24/40/563782440.db2.gz LZMFKPXEJAXJSI-UHFFFAOYSA-N 0 0 328.868 4.816 50 0 EJAARN CN(CN1c2cccc3cccc(c23)C1=O)[C@@H]1CCCc2ccccc21 ZINC000032899423 563785384 /nfs/dbraw/zinc/78/53/84/563785384.db2.gz SFGNCYDPEVLZHR-HXUWFJFHSA-N 0 0 342.442 4.767 50 0 EJAARN Cc1nc2cc(NC(=O)Cc3coc4cc5c(cc34)CCC5)ccc2o1 ZINC000015575116 563787248 /nfs/dbraw/zinc/78/72/48/563787248.db2.gz CMPCTOJFQSPHKJ-UHFFFAOYSA-N 0 0 346.386 4.552 50 0 EJAARN Cc1ccc(NC(=O)C2=Cc3cc(Cl)ccc3OC=C2)c(C)c1 ZINC000015838535 563794441 /nfs/dbraw/zinc/79/44/41/563794441.db2.gz LMPMNBQSUTWMIZ-UHFFFAOYSA-N 0 0 325.795 4.885 50 0 EJAARN CCCCCCSc1nc(=O)n(-c2ccc(C)cc2)c2c1CCC2 ZINC000015840429 563795519 /nfs/dbraw/zinc/79/55/19/563795519.db2.gz ZUUYIOYNRWHNTQ-UHFFFAOYSA-N 0 0 342.508 4.702 50 0 EJAARN CCc1ccccc1NC(=O)Cc1sc(C)nc1-c1cccs1 ZINC000015840148 563795528 /nfs/dbraw/zinc/79/55/28/563795528.db2.gz HWBXQONYSSRWFL-UHFFFAOYSA-N 0 0 342.489 4.924 50 0 EJAARN Cc1ccsc1[C@H]1CCCCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000015866701 563797349 /nfs/dbraw/zinc/79/73/49/563797349.db2.gz TZGMWEIQMPLSAJ-QGZVFWFLSA-N 0 0 349.521 4.671 50 0 EJAARN Cc1ccsc1[C@H]1CCCCCN1S(=O)(=O)Cc1ccccc1 ZINC000015866778 563797370 /nfs/dbraw/zinc/79/73/70/563797370.db2.gz JRSBDWCMOAJDEL-QGZVFWFLSA-N 0 0 349.521 4.504 50 0 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336.460 4.918 50 0 EJAARN CCc1ccc2occ(CC(=O)Nc3ccc(OC(F)F)cc3)c2c1 ZINC000016753186 563822579 /nfs/dbraw/zinc/82/25/79/563822579.db2.gz JWMHUSBDWZKQCI-UHFFFAOYSA-N 0 0 345.345 4.778 50 0 EJAARN O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1N1CCCCC1 ZINC000016946812 563826460 /nfs/dbraw/zinc/82/64/60/563826460.db2.gz FRVVEGFMDIGTQN-UHFFFAOYSA-N 0 0 338.838 4.839 50 0 EJAARN CSc1ccc([C@@H]2NC(=S)N=C3c4ccccc4CCC32)cc1 ZINC000016972129 563827599 /nfs/dbraw/zinc/82/75/99/563827599.db2.gz RZGPTDYBDHMGOG-KRWDZBQOSA-N 0 0 338.501 4.696 50 0 EJAARN COc1ccc(Cl)cc1NC(=O)N[C@@H]1CCCc2ccccc21 ZINC000017067913 563832035 /nfs/dbraw/zinc/83/20/35/563832035.db2.gz KKRDVLGBILXQHB-OAHLLOKOSA-N 0 0 330.815 4.548 50 0 EJAARN Cc1ccc(N2C(=S)N=NC2CSCc2ccccc2)cc1C ZINC000017071479 563834616 /nfs/dbraw/zinc/83/46/16/563834616.db2.gz WOUNPHHFEQSXFJ-UHFFFAOYSA-N 0 0 341.505 4.606 50 0 EJAARN CC(C)(C)C1CCC(c2nn3c(nc4ccccc4c3=O)s2)CC1 ZINC000017071458 563834662 /nfs/dbraw/zinc/83/46/62/563834662.db2.gz 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/nfs/dbraw/zinc/84/02/52/563840252.db2.gz XLLNSBWOYSTERU-NRFANRHFSA-N 0 0 349.455 4.623 50 0 EJAARN COc1ccccc1C(=O)Nc1ccc(OCc2cccs2)cc1 ZINC000032930528 563840933 /nfs/dbraw/zinc/84/09/33/563840933.db2.gz SKSOZPBTAIYLME-UHFFFAOYSA-N 0 0 339.416 4.588 50 0 EJAARN C[C@@H](NC(=O)c1cc(Cl)ccc1F)c1cccc(OC(F)F)c1 ZINC000032931095 563842317 /nfs/dbraw/zinc/84/23/17/563842317.db2.gz VUGBPOZXRNQWIV-SECBINFHSA-N 0 0 343.732 4.572 50 0 EJAARN O=C(NCCSc1ccccc1)Nc1ccccc1C(F)(F)F ZINC000043159347 563855239 /nfs/dbraw/zinc/85/52/39/563855239.db2.gz NLMCWTMFTYKPSR-UHFFFAOYSA-N 0 0 340.370 4.619 50 0 EJAARN COc1ccc(C)cc1NC(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000043279724 563861601 /nfs/dbraw/zinc/86/16/01/563861601.db2.gz SRBNKBDZUWEWRU-QGZVFWFLSA-N 0 0 328.387 4.512 50 0 EJAARN CC(=O)Nc1ccc(Nc2ccc3ccccc3c2)c(NC(C)=O)c1 ZINC000012379593 563863728 /nfs/dbraw/zinc/86/37/28/563863728.db2.gz XYQMUYPSYWFOTB-UHFFFAOYSA-N 0 0 333.391 4.500 50 0 EJAARN c1csc([C@H](NCc2ccccn2)c2ccc3c(c2)CCCC3)c1 ZINC000022745002 563864076 /nfs/dbraw/zinc/86/40/76/563864076.db2.gz ZEUBLZWKWOPMMZ-OAQYLSRUSA-N 0 0 334.488 4.901 50 0 EJAARN Cc1cccc(C)c1NC(=O)N[C@@H](C)c1ccccc1Br ZINC000043358352 563864922 /nfs/dbraw/zinc/86/49/22/563864922.db2.gz YXFFEVBMQYXOHN-ZDUSSCGKSA-N 0 0 347.256 4.949 50 0 EJAARN Cc1oc(-c2cccs2)nc1CN1CCSc2ccccc21 ZINC000022910650 563865333 /nfs/dbraw/zinc/86/53/33/563865333.db2.gz RMXUSBRFAZJOPN-UHFFFAOYSA-N 0 0 328.462 4.824 50 0 EJAARN O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccc(F)cc1 ZINC000010923123 563867133 /nfs/dbraw/zinc/86/71/33/563867133.db2.gz MYUIGTLGGCAPQZ-UHFFFAOYSA-N 0 0 344.773 4.705 50 0 EJAARN Cc1oc(-c2ccccc2)nc1C(=O)N1CCCc2cc(C)ccc21 ZINC000023654675 563867261 /nfs/dbraw/zinc/86/72/61/563867261.db2.gz QNXRRLBOOSTTPD-UHFFFAOYSA-N 0 0 332.403 4.551 50 0 EJAARN CCOC(=O)c1ccc(NCc2cc3ccccc3nc2Cl)cc1 ZINC000024226125 563869909 /nfs/dbraw/zinc/86/99/09/563869909.db2.gz QYKOFQSFEOXUBR-UHFFFAOYSA-N 0 0 340.810 4.677 50 0 EJAARN CC[C@@H](C)C(=O)NC[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000024435359 563871369 /nfs/dbraw/zinc/87/13/69/563871369.db2.gz HKKASRKKTLCNPJ-CZUORRHYSA-N 0 0 326.465 4.524 50 0 EJAARN COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(F)c(F)c2)cc1 ZINC000024392306 563871410 /nfs/dbraw/zinc/87/14/10/563871410.db2.gz BORHQVDCPCJQKH-IBGZPJMESA-N 0 0 345.389 4.731 50 0 EJAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccoc1 ZINC000024471495 563871633 /nfs/dbraw/zinc/87/16/33/563871633.db2.gz VYRJXSWEPSNPHN-UHFFFAOYSA-N 0 0 338.329 4.541 50 0 EJAARN COc1ccc(NC(=O)c2ccccc2Cl)cc1OC1CCCC1 ZINC000024929297 563877930 /nfs/dbraw/zinc/87/79/30/563877930.db2.gz JIHPPTHKLKMTRM-UHFFFAOYSA-N 0 0 345.826 4.922 50 0 EJAARN CC[C@@H](C)c1ccc(N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000024986460 563879179 /nfs/dbraw/zinc/87/91/79/563879179.db2.gz VBHCVSAQYJIXIG-OLZOCXBDSA-N 0 0 331.847 4.688 50 0 EJAARN Cc1nc(Nc2ccc(F)cc2F)sc1C(=O)Nc1ccccc1 ZINC000025061238 563880552 /nfs/dbraw/zinc/88/05/52/563880552.db2.gz OFABQKVBMGGNFB-UHFFFAOYSA-N 0 0 345.374 4.726 50 0 EJAARN CC(C)(C)C(=O)Nc1ccc(NC(=O)CCCc2cccs2)cc1 ZINC000025053457 563880615 /nfs/dbraw/zinc/88/06/15/563880615.db2.gz MMTMCEGPQFORDU-UHFFFAOYSA-N 0 0 344.480 4.694 50 0 EJAARN Cc1ccc2[nH]c(SCc3csc(-c4ccco4)n3)nc2c1 ZINC000025460327 563885147 /nfs/dbraw/zinc/88/51/47/563885147.db2.gz BUKXFJAIUJOKLU-UHFFFAOYSA-N 0 0 327.434 4.880 50 0 EJAARN CN(C(=O)NCc1ccccc1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000025532297 563885734 /nfs/dbraw/zinc/88/57/34/563885734.db2.gz MAHMPIZJUGCJCY-NRFANRHFSA-N 0 0 348.421 4.757 50 0 EJAARN CCC[C@@H]1Oc2ccc(OCC)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000025582963 563886031 /nfs/dbraw/zinc/88/60/31/563886031.db2.gz XMSMRPZYNCKPPS-CTNGQTDRSA-N 0 0 336.435 4.755 50 0 EJAARN Cc1ccc(C2=NNc3cc(Cl)c(Cl)cc3N2O)cc1Cl ZINC000025759722 563888076 /nfs/dbraw/zinc/88/80/76/563888076.db2.gz WQCJMRVSVFRTFR-UHFFFAOYSA-N 0 0 342.613 4.938 50 0 EJAARN Cn1c(=O)c2sccc2nc1SCc1ccc(C(C)(C)C)cc1 ZINC000026102674 563889881 /nfs/dbraw/zinc/88/98/81/563889881.db2.gz JQWWGNRCSACXMC-UHFFFAOYSA-N 0 0 344.505 4.585 50 0 EJAARN O=C(NCC1CCC1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000026141378 563890225 /nfs/dbraw/zinc/89/02/25/563890225.db2.gz GCSBCLRIRCZDBG-UHFFFAOYSA-N 0 0 332.403 4.539 50 0 EJAARN CCOC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C(C)C ZINC000014000570 563893420 /nfs/dbraw/zinc/89/34/20/563893420.db2.gz QQTCIYTVXYIVGM-UHFFFAOYSA-N 0 0 328.195 4.949 50 0 EJAARN CCCCOc1cccc(C(=O)Nc2cc(-c3ccccc3)no2)c1 ZINC000027747317 563899351 /nfs/dbraw/zinc/89/93/51/563899351.db2.gz UYPANBRNXNHPGA-UHFFFAOYSA-N 0 0 336.391 4.773 50 0 EJAARN O=C(c1ccc(C2CCCCC2)cc1)N1CCO[C@H](c2ccccc2)C1 ZINC000027905806 563900245 /nfs/dbraw/zinc/90/02/45/563900245.db2.gz CZXGMOTVOMAYAI-QFIPXVFZSA-N 0 0 349.474 4.948 50 0 EJAARN O=C(c1ccc(CSc2ccccc2)o1)N1CCc2ccccc21 ZINC000028193593 563901543 /nfs/dbraw/zinc/90/15/43/563901543.db2.gz KPDFOKYCVXNCFT-UHFFFAOYSA-N 0 0 335.428 4.775 50 0 EJAARN CC(C)c1ccc(OC[C@@H](C)NC(=O)c2cccc(Cl)c2)cc1 ZINC000028293372 563902280 /nfs/dbraw/zinc/90/22/80/563902280.db2.gz VJWMGQJGWSAKGD-CQSZACIVSA-N 0 0 331.843 4.661 50 0 EJAARN c1ccc(-c2nnc(-c3cnc4onc(C5CCCC5)c4c3)o2)cc1 ZINC000072274989 563902822 /nfs/dbraw/zinc/90/28/22/563902822.db2.gz DNKNMCPPBYNFGG-UHFFFAOYSA-N 0 0 332.363 4.597 50 0 EJAARN O=C(CSc1noc(-c2ccc(Cl)cc2)n1)c1ccc(F)cc1 ZINC000028527368 563903293 /nfs/dbraw/zinc/90/32/93/563903293.db2.gz CZKOOANLSUJNQG-UHFFFAOYSA-N 0 0 348.786 4.504 50 0 EJAARN Cc1oc(C)c(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)c1C ZINC000028715930 563903922 /nfs/dbraw/zinc/90/39/22/563903922.db2.gz VAMKXCPSASOIBX-UHFFFAOYSA-N 0 0 326.421 4.889 50 0 EJAARN CN(Cc1ccccc1)Cn1nc(NC2CCCCC2)sc1=S ZINC000028705156 563903955 /nfs/dbraw/zinc/90/39/55/563903955.db2.gz UVGPVSQYUHFVNT-UHFFFAOYSA-N 0 0 348.541 4.508 50 0 EJAARN FC(F)(F)c1nc2ccccc2n1Cc1nc2ccccc2s1 ZINC000029299678 563905612 /nfs/dbraw/zinc/90/56/12/563905612.db2.gz MTZLOJVDXBJJMM-UHFFFAOYSA-N 0 0 333.338 4.713 50 0 EJAARN Cc1ncc(-c2ccc(NC(=O)c3cccc(-n4cccc4)c3)cc2)o1 ZINC000029952780 563909005 /nfs/dbraw/zinc/90/90/05/563909005.db2.gz GEGXAVYFGDCMKD-UHFFFAOYSA-N 0 0 343.386 4.693 50 0 EJAARN O=C(Nc1cccc(OC2CCCC2)c1)c1cc2c(s1)CCC2 ZINC000030251406 563909708 /nfs/dbraw/zinc/90/97/08/563909708.db2.gz GHKPHDJWDQXTGB-UHFFFAOYSA-N 0 0 327.449 4.811 50 0 EJAARN O=C(c1cc(-c2ccco2)on1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000030364178 563909716 /nfs/dbraw/zinc/90/97/16/563909716.db2.gz DREBUEAMUMMVID-OAHLLOKOSA-N 0 0 342.782 4.565 50 0 EJAARN CCn1ccc2ccc(NC(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)cc21 ZINC000072292969 563910398 /nfs/dbraw/zinc/91/03/98/563910398.db2.gz IKGJNXAEGAJXCU-UONOGXRCSA-N 0 0 338.373 4.968 50 0 EJAARN O=C(Nc1ccc2[nH]c(C(F)(F)F)nc2c1)c1cc2ccccc2o1 ZINC000030952714 563911902 /nfs/dbraw/zinc/91/19/02/563911902.db2.gz HRGZUVMMNFSBQZ-UHFFFAOYSA-N 0 0 345.280 4.580 50 0 EJAARN C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)[C@@H](c2ccco2)C1 ZINC000072304654 563914511 /nfs/dbraw/zinc/91/45/11/563914511.db2.gz FBAOEFHWAHGXKN-UMPJEAMMSA-N 0 0 345.389 4.661 50 0 EJAARN O=C(CCSCc1cccc(Cl)c1)NC1CCCCCC1 ZINC000002954083 563914599 /nfs/dbraw/zinc/91/45/99/563914599.db2.gz OTOALDPPDIZJCW-UHFFFAOYSA-N 0 0 325.905 4.802 50 0 EJAARN O=C(c1cc(-c2ccc(F)cc2)on1)N1CCC[C@@H]1c1cccs1 ZINC000033012284 563914775 /nfs/dbraw/zinc/91/47/75/563914775.db2.gz GUIGLHBPCMIOSH-OAHLLOKOSA-N 0 0 342.395 4.520 50 0 EJAARN CCc1onc(C)c1[C@H]1CCCN1C(=O)Nc1cccc(C)c1C ZINC000033270604 563915637 /nfs/dbraw/zinc/91/56/37/563915637.db2.gz UBGRRISFRUHQPO-MRXNPFEDSA-N 0 0 327.428 4.531 50 0 EJAARN CN(Cc1ncc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)cn1 ZINC000072308080 563915990 /nfs/dbraw/zinc/91/59/90/563915990.db2.gz UTBHUZDJSNVFTC-UHFFFAOYSA-N 0 0 334.206 4.680 50 0 EJAARN CN(C)c1ccc([C@H](CC(=O)c2ccccc2)[C@H]2CCCCC2=O)cc1 ZINC000000458728 563917525 /nfs/dbraw/zinc/91/75/25/563917525.db2.gz QLISHXSSZNUPKS-RTWAWAEBSA-N 0 0 349.474 4.869 50 0 EJAARN COc1ccc(-c2nc3ccccc3nc2NCc2ccco2)cc1 ZINC000022588955 563918589 /nfs/dbraw/zinc/91/85/89/563918589.db2.gz RHUKFFQRMKTUIW-UHFFFAOYSA-N 0 0 331.375 4.511 50 0 EJAARN CCCCSC[C@@H](COC(C)C)OC(=O)c1ccc(Cl)cc1 ZINC000002977916 563918792 /nfs/dbraw/zinc/91/87/92/563918792.db2.gz VRMGWWHCHOPVHS-MRXNPFEDSA-N 0 0 344.904 4.824 50 0 EJAARN COc1ccc(CNc2cc(C)c3ccc(Cl)cc3n2)cc1OC ZINC000023633967 563919394 /nfs/dbraw/zinc/91/93/94/563919394.db2.gz AKHYXQJVWVOTET-UHFFFAOYSA-N 0 0 342.826 4.826 50 0 EJAARN CCc1[nH]nc(-c2ccc(C)cc2C)c1NC(=O)c1cccc(F)c1 ZINC000034794807 563919687 /nfs/dbraw/zinc/91/96/87/563919687.db2.gz BBFDYPNIZIARJQ-UHFFFAOYSA-N 0 0 337.398 4.647 50 0 EJAARN Cc1[nH]nc(-c2cccc(Cl)c2)c1NC(=O)c1ccc(F)cc1F ZINC000034796804 563919742 /nfs/dbraw/zinc/91/97/42/563919742.db2.gz LNPMADQCAOEUJA-UHFFFAOYSA-N 0 0 347.752 4.569 50 0 EJAARN Cc1cc(NC(=O)c2cc3ccccc3s2)nn1-c1ccccc1 ZINC000034907525 563919921 /nfs/dbraw/zinc/91/99/21/563919921.db2.gz CATWBHPPITXHDR-UHFFFAOYSA-N 0 0 333.416 4.648 50 0 EJAARN CCc1nc(C)c(C(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)s1 ZINC000060245903 563920050 /nfs/dbraw/zinc/92/00/50/563920050.db2.gz ONUBIZOQOCQKPH-UHFFFAOYSA-N 0 0 348.516 4.515 50 0 EJAARN Cc1ccc(C(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)o1 ZINC000032981919 563920588 /nfs/dbraw/zinc/92/05/88/563920588.db2.gz UFGQUYLYUCAEBB-UHFFFAOYSA-N 0 0 340.360 4.817 50 0 EJAARN O=C(NCC(F)(F)F)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000032990972 563921034 /nfs/dbraw/zinc/92/10/34/563921034.db2.gz ODILXYGUTGRMIR-UHFFFAOYSA-N 0 0 347.258 4.665 50 0 EJAARN CCc1csc(-c2ccc(CNC(=O)c3sccc3C)cc2)n1 ZINC000097938112 563922680 /nfs/dbraw/zinc/92/26/80/563922680.db2.gz MKKWZGSURNGDQT-UHFFFAOYSA-N 0 0 342.489 4.672 50 0 EJAARN CC[C@H](C)Sc1ccc(NC(=O)[C@@H]2CCOC2)c(C(F)(F)F)c1 ZINC000060306416 563924763 /nfs/dbraw/zinc/92/47/63/563924763.db2.gz SXCDAEOTHDUENZ-WDEREUQCSA-N 0 0 347.402 4.571 50 0 EJAARN COc1cccc([C@@H]2CCCN2C(=O)Nc2ccccc2SC)c1 ZINC000043318750 563925636 /nfs/dbraw/zinc/92/56/36/563925636.db2.gz XAMRAHZDVBGASF-KRWDZBQOSA-N 0 0 342.464 4.786 50 0 EJAARN CCCCC(=O)Nc1cccc(-c2nc(-c3ccc(C)cc3)no2)c1 ZINC000033012742 563925677 /nfs/dbraw/zinc/92/56/77/563925677.db2.gz NADRAWUOOQCEJH-UHFFFAOYSA-N 0 0 335.407 4.841 50 0 EJAARN C[C@H](CCC(C)(C)C(=O)OC[C@H]1CO1)c1c(Cl)cccc1Cl ZINC000043681899 563925896 /nfs/dbraw/zinc/92/58/96/563925896.db2.gz VALBCASDXQVOLS-VXGBXAGGSA-N 0 0 345.266 4.845 50 0 EJAARN COc1ccc(-c2cc(C(F)F)c3c(N)c(C(C)=O)sc3n2)cc1 ZINC000044921505 563928395 /nfs/dbraw/zinc/92/83/95/563928395.db2.gz XYFXBASSTJHEDH-UHFFFAOYSA-N 0 0 348.374 4.694 50 0 EJAARN CCC(=O)Nc1nc2cc(NC(=O)CCC3CCCC3)ccc2s1 ZINC000033019949 563928812 /nfs/dbraw/zinc/92/88/12/563928812.db2.gz PDQJEZNSLRJUCI-UHFFFAOYSA-N 0 0 345.468 4.554 50 0 EJAARN O=C(Nc1ccc(CCc2ccccn2)cc1)c1cc2ccccc2o1 ZINC000045222012 563929051 /nfs/dbraw/zinc/92/90/51/563929051.db2.gz QXDTWQFXZSQHCW-UHFFFAOYSA-N 0 0 342.398 4.865 50 0 EJAARN COc1ccc2ccccc2c1-c1nc2c[nH]n([C@@H](C)C3CC3)c-2n1 ZINC000048261811 563930158 /nfs/dbraw/zinc/93/01/58/563930158.db2.gz CWVIWKDFLBEDQF-LBPRGKRZSA-N 0 0 332.407 4.559 50 0 EJAARN CC[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CC1CCC(=O)CC1 ZINC000055270212 563934316 /nfs/dbraw/zinc/93/43/16/563934316.db2.gz GUMCMAPSUMTVEX-CQSZACIVSA-N 0 0 335.875 4.617 50 0 EJAARN CCC(CC)n1ncc(C)c1NC(=O)c1ccc2ccccc2c1O ZINC000055413950 563934788 /nfs/dbraw/zinc/93/47/88/563934788.db2.gz JTVBKBNHOQUEIG-UHFFFAOYSA-N 0 0 337.423 4.664 50 0 EJAARN S=C1N=NC(c2cccs2)N1c1cc(Cl)cc(Cl)c1 ZINC000004623868 563935414 /nfs/dbraw/zinc/93/54/14/563935414.db2.gz KVNNGWXUVJEITF-UHFFFAOYSA-N 0 0 328.249 4.591 50 0 EJAARN Cc1ccc2c(c1)-c1c(cnc3cc(-c4ccc(Cl)cc4)nn31)CO2 ZINC000013828463 563935176 /nfs/dbraw/zinc/93/51/76/563935176.db2.gz QSJXDCNHPMCFTM-UHFFFAOYSA-N 0 0 347.805 4.918 50 0 EJAARN COc1ccc(Cl)cc1NC(=O)c1ncoc1-c1ccc(C)s1 ZINC000033049144 563935377 /nfs/dbraw/zinc/93/53/77/563935377.db2.gz AGJSVWRORJSRKM-UHFFFAOYSA-N 0 0 348.811 4.626 50 0 EJAARN CCCCCN(C(=O)c1[nH]c2c(c1C)C(=O)CCC2)[C@@H](C)CCC ZINC000058130061 563937554 /nfs/dbraw/zinc/93/75/54/563937554.db2.gz KEMNIOHXOJPHOL-AWEZNQCLSA-N 0 0 332.488 4.663 50 0 EJAARN Cc1ccc2nc(C)c(C(=O)N3CCCc4cc(C)cc(F)c43)cc2c1 ZINC000058144582 563937771 /nfs/dbraw/zinc/93/77/71/563937771.db2.gz OWMGRIGBOSUKEE-UHFFFAOYSA-N 0 0 348.421 4.892 50 0 EJAARN C[C@@H](NCc1ccccc1Cl)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000058148746 563937891 /nfs/dbraw/zinc/93/78/91/563937891.db2.gz WPBRHFPEANOZOL-CQSZACIVSA-N 0 0 344.886 4.754 50 0 EJAARN COc1ccc2c(C)cc3nnc(SCc4ccccc4C)n3c2c1 ZINC000058152711 563937903 /nfs/dbraw/zinc/93/79/03/563937903.db2.gz QVYROYUOGNOSMI-UHFFFAOYSA-N 0 0 349.459 4.800 50 0 EJAARN CC(C)c1ccc(-n2ccnc2SCc2nnc(C3CC3)o2)cc1 ZINC000058158548 563938156 /nfs/dbraw/zinc/93/81/56/563938156.db2.gz GACQVHKMKXZDRA-UHFFFAOYSA-N 0 0 340.452 4.548 50 0 EJAARN O=C(Nc1ccccc1Cl)N1CCCC[C@@H]1Cc1ccccc1 ZINC000058160011 563938311 /nfs/dbraw/zinc/93/83/11/563938311.db2.gz ZPKLGNLUKMGYCA-MRXNPFEDSA-N 0 0 328.843 4.969 50 0 EJAARN CCC[C@@H](C)NC(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000058202077 563939747 /nfs/dbraw/zinc/93/97/47/563939747.db2.gz YAMUSHNWZGBBAG-BUDYXABQSA-N 0 0 325.496 4.829 50 0 EJAARN c1ccc2sc(C3CCN(c4ncnc5ccccc54)CC3)nc2c1 ZINC000058304057 563941975 /nfs/dbraw/zinc/94/19/75/563941975.db2.gz SGPBSSSMYRUPPK-UHFFFAOYSA-N 0 0 346.459 4.624 50 0 EJAARN O=C(/C=C(\c1ccccc1)C(F)(F)F)N[C@H](c1ccccc1)C1CC1 ZINC000058306649 563942201 /nfs/dbraw/zinc/94/22/01/563942201.db2.gz DVTPXLGYUVRVCA-XEYRCQSKSA-N 0 0 345.364 4.900 50 0 EJAARN O=C(/C=C(\c1ccccc1)C(F)(F)F)N[C@@H](c1ccccc1)C1CC1 ZINC000058306648 563942212 /nfs/dbraw/zinc/94/22/12/563942212.db2.gz DVTPXLGYUVRVCA-UMEYKSNOSA-N 0 0 345.364 4.900 50 0 EJAARN CCN(C)c1cccc(NC(=O)N2CCC[C@H]2c2ccccc2C)c1 ZINC000058323191 563942514 /nfs/dbraw/zinc/94/25/14/563942514.db2.gz OARJDUISCYSJCY-FQEVSTJZSA-N 0 0 337.467 4.820 50 0 EJAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1cccc2ncccc21 ZINC000058367212 563943897 /nfs/dbraw/zinc/94/38/97/563943897.db2.gz YDEPJVWGOFNBIJ-UHFFFAOYSA-N 0 0 334.419 4.793 50 0 EJAARN CN(Cc1ccc(C(=O)N2CCCC2)cc1)c1ccc2ccccc2c1 ZINC000058392525 563944664 /nfs/dbraw/zinc/94/46/64/563944664.db2.gz AKBXHJIFCUUVIV-UHFFFAOYSA-N 0 0 344.458 4.712 50 0 EJAARN FC(F)(F)c1ccnc(Nc2ccc(N3CCCCCC3)cc2)n1 ZINC000058407126 563945125 /nfs/dbraw/zinc/94/51/25/563945125.db2.gz SCMJFNDNXHTQDQ-UHFFFAOYSA-N 0 0 336.361 4.619 50 0 EJAARN COc1ccc2nc(/C=C/c3cnc(-c4ccccc4)nc3)sc2c1 ZINC000058406984 563945134 /nfs/dbraw/zinc/94/51/34/563945134.db2.gz BVTGDDHUTZJZJU-JXMROGBWSA-N 0 0 345.427 4.932 50 0 EJAARN Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000058415547 563945425 /nfs/dbraw/zinc/94/54/25/563945425.db2.gz WDQDDEVDUIURNA-CQSZACIVSA-N 0 0 348.450 4.523 50 0 EJAARN Cc1ccc([C@H](C)NC(=O)c2cc(-c3ccco3)nc3ccccc32)o1 ZINC000058416908 563945529 /nfs/dbraw/zinc/94/55/29/563945529.db2.gz XYGFBUSSACXFQT-AWEZNQCLSA-N 0 0 346.386 4.887 50 0 EJAARN Cc1cc(NC(=O)N(C)[C@H](C)CC(C)C)ccc1Br ZINC000058418536 563945643 /nfs/dbraw/zinc/94/56/43/563945643.db2.gz JTNOPQZFECDIHO-GFCCVEGCSA-N 0 0 327.266 4.656 50 0 EJAARN Brc1c(C2C3CC4CC(C3)CC2C4)nc2ccccn21 ZINC000058420720 563945710 /nfs/dbraw/zinc/94/57/10/563945710.db2.gz DJLAZXAJCAGJIC-UHFFFAOYSA-N 0 0 331.257 4.637 50 0 EJAARN CN(Cc1csc(-c2ncccn2)n1)c1ccc(C(C)(C)C)cc1 ZINC000058419344 563945723 /nfs/dbraw/zinc/94/57/23/563945723.db2.gz RTJFKPHEKRKTGZ-UHFFFAOYSA-N 0 0 338.480 4.534 50 0 EJAARN O=C(CSCc1cccnc1)Nc1ccc2c(c1)oc1ccccc12 ZINC000058427786 563946117 /nfs/dbraw/zinc/94/61/17/563946117.db2.gz OVDIDOKWPRAPQZ-UHFFFAOYSA-N 0 0 348.427 4.853 50 0 EJAARN O=C(Nc1ccccc1-c1ccccc1)N[C@H]1COc2ccccc21 ZINC000058605549 563946968 /nfs/dbraw/zinc/94/69/68/563946968.db2.gz APEINCLOFJWYQQ-IBGZPJMESA-N 0 0 330.387 4.609 50 0 EJAARN O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1ccc2ccccc2c1 ZINC000059301581 563947978 /nfs/dbraw/zinc/94/79/78/563947978.db2.gz YKICNGKITLABCP-KRWDZBQOSA-N 0 0 329.321 4.873 50 0 EJAARN COCc1ccc2c(c1)c1c3n2CCN(Cc2ccccc2)[C@H]3CCC1 ZINC000060050172 563949493 /nfs/dbraw/zinc/94/94/93/563949493.db2.gz XXNVNCLJWPPPSH-QFIPXVFZSA-N 0 0 346.474 4.681 50 0 EJAARN Cc1noc(C)c1[C@H](C)NC(=O)Nc1cc(-c2ccco2)ccc1F ZINC000096435488 563952453 /nfs/dbraw/zinc/95/24/53/563952453.db2.gz FWHZVOHZMBGYPY-JTQLQIEISA-N 0 0 343.358 4.573 50 0 EJAARN COc1ccc(C)cc1NC(=O)c1cccc(-c2nc(C)cs2)c1 ZINC000096471433 563954684 /nfs/dbraw/zinc/95/46/84/563954684.db2.gz FDWIRHPBHLIIIA-UHFFFAOYSA-N 0 0 338.432 4.688 50 0 EJAARN CC(C)(C)c1ccc(/C=C2\CCn3c2nc(=O)c2ccccc23)cc1 ZINC000096480671 563955294 /nfs/dbraw/zinc/95/52/94/563955294.db2.gz OXDXVZXXCFZAPG-JQIJEIRASA-N 0 0 330.431 4.638 50 0 EJAARN C/C=C\c1ccc(OCC(=O)c2cc(C)n(C3CC3)c2C)c(OC)c1 ZINC000096504711 563956270 /nfs/dbraw/zinc/95/62/70/563956270.db2.gz HMLUQODIGFOWBL-WAYWQWQTSA-N 0 0 339.435 4.743 50 0 EJAARN CCc1ccc(S(=O)(=O)N2CCCCC[C@H]2c2cccs2)cc1 ZINC000064984213 563957404 /nfs/dbraw/zinc/95/74/04/563957404.db2.gz ACIODOGIHRDJNY-KRWDZBQOSA-N 0 0 349.521 4.617 50 0 EJAARN Cc1cccc(NC(=O)N2CCC[C@@H]2c2cc(C(C)C)on2)c1C ZINC000064984599 563957638 /nfs/dbraw/zinc/95/76/38/563957638.db2.gz CMZJTVRUIGQBCR-QGZVFWFLSA-N 0 0 327.428 4.784 50 0 EJAARN CCCc1cc([C@H]2CCCN2C(=O)Nc2cccc(C)c2C)no1 ZINC000064984603 563957654 /nfs/dbraw/zinc/95/76/54/563957654.db2.gz WPEGAJYSNQTNLP-GOSISDBHSA-N 0 0 327.428 4.613 50 0 EJAARN CCOc1ccc(NC(=O)N2CCC[C@@H]2c2cc(C(C)C)no2)cc1 ZINC000064984990 563957792 /nfs/dbraw/zinc/95/77/92/563957792.db2.gz SGRPYAWFSOOART-QGZVFWFLSA-N 0 0 343.427 4.566 50 0 EJAARN CCOc1ccccc1NC(=O)N1CCC[C@H]1c1cc(C(C)C)no1 ZINC000064985086 563957873 /nfs/dbraw/zinc/95/78/73/563957873.db2.gz YYZJPIOBCDTUSF-INIZCTEOSA-N 0 0 343.427 4.566 50 0 EJAARN CCc1ccccc1NC(=O)N1CCC[C@H]1c1cc(C(C)C)no1 ZINC000064985113 563957886 /nfs/dbraw/zinc/95/78/86/563957886.db2.gz CSRGQQKMFZCTPJ-KRWDZBQOSA-N 0 0 327.428 4.729 50 0 EJAARN Cc1ccc(Nc2ccc(NC(=O)Nc3ccc(C)c(C)c3)cc2)nn1 ZINC000065363330 563958134 /nfs/dbraw/zinc/95/81/34/563958134.db2.gz RWJFPKSNXMYZEJ-UHFFFAOYSA-N 0 0 347.422 4.789 50 0 EJAARN Cn1ccnc1Cn1cnc(-c2ccccc2)c1-c1ccc(Cl)cc1 ZINC000065375294 563958769 /nfs/dbraw/zinc/95/87/69/563958769.db2.gz NRXJCLRLJCDPGL-UHFFFAOYSA-N 0 0 348.837 4.652 50 0 EJAARN Cc1[nH]n(C2CCCC2)c2nc(-c3ccc([C@H]4CCCCO4)o3)nc1-2 ZINC000065387814 563959341 /nfs/dbraw/zinc/95/93/41/563959341.db2.gz GYXAOIDLDUFBPA-CQSZACIVSA-N 0 0 340.427 4.685 50 0 EJAARN Cc1ccc(CNc2cccc(C(=O)N3CC=C[C@@H]3C(C)C)c2)s1 ZINC000065393775 563959533 /nfs/dbraw/zinc/95/95/33/563959533.db2.gz VNNVWZUGAJLKHN-LJQANCHMSA-N 0 0 340.492 4.705 50 0 EJAARN O[C@@H](Cn1cnc(-c2ccccc2)c1-c1ccco1)c1ccccc1 ZINC000065396087 563959663 /nfs/dbraw/zinc/95/96/63/563959663.db2.gz POHZBYXPJBYCSE-SFHVURJKSA-N 0 0 330.387 4.544 50 0 EJAARN C=Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C)o3)cc2)cc1 ZINC000065405079 563960057 /nfs/dbraw/zinc/96/00/57/563960057.db2.gz BSYDJZBTAMTWHY-UHFFFAOYSA-N 0 0 346.386 4.736 50 0 EJAARN c1nc(-c2ccccc2)c(-c2cccnc2)n1CCCc1cccnc1 ZINC000065405854 563960077 /nfs/dbraw/zinc/96/00/77/563960077.db2.gz QEWOPKYUPDBKFN-UHFFFAOYSA-N 0 0 340.430 4.640 50 0 EJAARN CCCC(=O)Nc1ccc2c(c1)NC(=O)C[C@@H]2c1cc2ccccc2o1 ZINC000065493057 563961560 /nfs/dbraw/zinc/96/15/60/563961560.db2.gz NABMXMMORSKAFV-INIZCTEOSA-N 0 0 348.402 4.646 50 0 EJAARN O=C(/C=C\c1ccccc1OC(F)F)N1CCC[C@@H]1c1ccccc1 ZINC000096837119 563962779 /nfs/dbraw/zinc/96/27/79/563962779.db2.gz ZYQXADCSODVOJE-MUSGIIIZSA-N 0 0 343.373 4.665 50 0 EJAARN CCOc1ccc(NC(=O)c2cccnc2-c2ccc(C)s2)cc1 ZINC000033139064 563963704 /nfs/dbraw/zinc/96/37/04/563963704.db2.gz UPZZRFSQAZYQSC-UHFFFAOYSA-N 0 0 338.432 4.770 50 0 EJAARN Cn1c(-c2ccc(Cl)cc2)cn2cc(-c3ccc(F)cc3)nc12 ZINC000004678636 563963881 /nfs/dbraw/zinc/96/38/81/563963881.db2.gz WIFLIHXRUMMKIK-UHFFFAOYSA-N 0 0 325.774 4.799 50 0 EJAARN O=C(NC1CCCCC1)c1ccc(-c2csc(C3CC3)n2)cc1 ZINC000033171339 563964447 /nfs/dbraw/zinc/96/44/47/563964447.db2.gz KECPBBIRHZDANP-UHFFFAOYSA-N 0 0 326.465 4.750 50 0 EJAARN Cc1c2cc(Cl)cc(CNC(=O)C3CC3)c2[nH]c1-c1ccccc1 ZINC000071721344 563964796 /nfs/dbraw/zinc/96/47/96/563964796.db2.gz VDMCSROOVBWTNV-UHFFFAOYSA-N 0 0 338.838 4.823 50 0 EJAARN COc1ccc(C(=O)[C@@H](Cc2ccccc2)c2ccc(OC)cc2)cc1 ZINC000071770580 563965632 /nfs/dbraw/zinc/96/56/32/563965632.db2.gz LSQPQMIEMBQSGT-QFIPXVFZSA-N 0 0 346.426 4.913 50 0 EJAARN CC(C)(C)c1nc(CN(Cc2ccccc2F)C2CCCCC2)no1 ZINC000060563511 563965921 /nfs/dbraw/zinc/96/59/21/563965921.db2.gz QZAFSIMCWIRLCH-UHFFFAOYSA-N 0 0 345.462 4.841 50 0 EJAARN COc1ccccc1-c1nc(-c2ccc(N3CCC(C)CC3)cc2)no1 ZINC000033255412 563966138 /nfs/dbraw/zinc/96/61/38/563966138.db2.gz AHCHBCQLSOAOCI-UHFFFAOYSA-N 0 0 349.434 4.649 50 0 EJAARN Cc1nc(-c2ccc(NC(=O)Nc3cc(Cl)ccc3C)cc2)no1 ZINC000033257256 563966166 /nfs/dbraw/zinc/96/61/66/563966166.db2.gz VHSHHEOXZIBHLT-UHFFFAOYSA-N 0 0 342.786 4.651 50 0 EJAARN CC[C@H](Nc1nc2cc(C(F)(F)F)ccc2s1)c1ncc[nH]1 ZINC000097104046 563967646 /nfs/dbraw/zinc/96/76/46/563967646.db2.gz KDDZLKXUASUVRZ-VIFPVBQESA-N 0 0 326.347 4.601 50 0 EJAARN CCOc1cc2c(cc1OCC)[C@H](c1cc(C)c(C)cc1C)[NH2+]CC2 ZINC000000034570 563967833 /nfs/dbraw/zinc/96/78/33/563967833.db2.gz XMHWWXLACWWANG-QFIPXVFZSA-N 0 0 339.479 4.644 50 0 EJAARN CCc1c(C(=O)c2ccccc2)oc2ccc3c(C)cc(=O)oc3c21 ZINC000000034946 563967863 /nfs/dbraw/zinc/96/78/63/563967863.db2.gz QSXNPELUBASDGF-UHFFFAOYSA-N 0 0 332.355 4.641 50 0 biogenic EJAARN Cc1cc(C(=O)Nc2cccc(-c3ncco3)c2)c(C(F)(F)F)o1 ZINC000097162917 563968448 /nfs/dbraw/zinc/96/84/48/563968448.db2.gz QBGVCXCMGGDSMB-UHFFFAOYSA-N 0 0 336.269 4.514 50 0 EJAARN Cc1ncn(-c2nc3ccccc3c(-c3ccc(Cl)cc3)n2)c1C ZINC000097165832 563968530 /nfs/dbraw/zinc/96/85/30/563968530.db2.gz FIAWKELSHURWEJ-UHFFFAOYSA-N 0 0 334.810 4.753 50 0 EJAARN CC[C@H](c1cccnc1)N(C)C(=O)CCCc1ccc(Cl)cc1 ZINC000077343839 563969052 /nfs/dbraw/zinc/96/90/52/563969052.db2.gz MIMJKDZPRUGRHZ-GOSISDBHSA-N 0 0 330.859 4.667 50 0 EJAARN COc1cccc([C@H]2CCCN2C(=O)c2cccc3cc(C)oc32)c1 ZINC000077355200 563969135 /nfs/dbraw/zinc/96/91/35/563969135.db2.gz ZXPVMSGNTPVLRA-LJQANCHMSA-N 0 0 335.403 4.727 50 0 EJAARN O=C(c1cccc(-c2ncc[nH]2)c1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000077390337 563969363 /nfs/dbraw/zinc/96/93/63/563969363.db2.gz MFAMGJPAZMZHEH-LJQANCHMSA-N 0 0 349.409 4.583 50 0 EJAARN Cc1ccc(NC(=O)Nc2cccc(Cl)c2NC(=O)C(C)C)cc1 ZINC000006743335 563970479 /nfs/dbraw/zinc/97/04/79/563970479.db2.gz HGDTYETYOIWZLQ-UHFFFAOYSA-N 0 0 345.830 4.887 50 0 EJAARN Cc1nn2c(nc(C)cc2N2C[C@@H](C)C[C@H](C)C2)c1-c1ccc(C)cc1 ZINC000023114989 563970541 /nfs/dbraw/zinc/97/05/41/563970541.db2.gz UOCLXXZZGUZRGQ-HOTGVXAUSA-N 0 0 348.494 4.804 50 0 EJAARN O=C(Cc1cc2ccccc2n1Cc1ccccc1)Nc1ccccc1 ZINC000000054942 563971055 /nfs/dbraw/zinc/97/10/55/563971055.db2.gz MAYNDIPDIDGRQB-UHFFFAOYSA-N 0 0 340.426 4.871 50 0 EJAARN O=C(c1ccc2cc[nH]c2c1)N1CCCC[C@H]1CCc1cccc(O)c1 ZINC000082091568 563972048 /nfs/dbraw/zinc/97/20/48/563972048.db2.gz NWCXFTSFQHINQH-IBGZPJMESA-N 0 0 348.446 4.501 50 0 EJAARN CCc1ccc(NC(=O)Nc2ccc3nc(C)cc(OC)c3c2)cc1 ZINC000033278715 563972875 /nfs/dbraw/zinc/97/28/75/563972875.db2.gz LMFNWLPTVMNDCI-UHFFFAOYSA-N 0 0 335.407 4.758 50 0 EJAARN COc1cc(C)c(/C=C2\SC(=O)N(C(C)C)C2=O)cc1C(C)C ZINC000033286776 563972947 /nfs/dbraw/zinc/97/29/47/563972947.db2.gz UZXFBDBQEWGNLL-SXGWCWSVSA-N 0 0 333.453 4.572 50 0 EJAARN O=C(/C=C\c1ccc(Br)cc1)Nc1ccc(Cl)cc1 ZINC000033306415 563973386 /nfs/dbraw/zinc/97/33/86/563973386.db2.gz LDSPFGGNTPVCHK-KMKOMSMNSA-N 0 0 336.616 4.754 50 0 EJAARN C[C@@H](Nc1ccc(NC(=O)N2CCCCCC2)cc1)[C@H]1CC1(F)F ZINC000585141469 563973427 /nfs/dbraw/zinc/97/34/27/563973427.db2.gz WLAJWTIMFWENNZ-CZUORRHYSA-N 0 0 337.414 4.550 50 0 EJAARN Cc1csc(-c2cc(NC(=O)Cc3cccs3)c(C)s2)n1 ZINC000033308474 563973486 /nfs/dbraw/zinc/97/34/86/563973486.db2.gz JURBJXJKALRFJI-UHFFFAOYSA-N 0 0 334.491 4.731 50 0 EJAARN CCC[C@@H](O)c1nc2ccccc2n1CCOc1c(C)cccc1C ZINC000033317726 563973675 /nfs/dbraw/zinc/97/36/75/563973675.db2.gz HLUXFTBAPKXVAW-LJQANCHMSA-N 0 0 338.451 4.566 50 0 EJAARN Cc1ccc2c(-c3nnnn3-c3ccc4ccccc4c3)c[nH]c2c1C ZINC000085432670 563973813 /nfs/dbraw/zinc/97/38/13/563973813.db2.gz ZWBDNWXLAOMHJH-UHFFFAOYSA-N 0 0 339.402 4.581 50 0 EJAARN Cc1nc(-c2cc3cccc(C)c3nc2NCc2ccccc2C)no1 ZINC000033331508 563974436 /nfs/dbraw/zinc/97/44/36/563974436.db2.gz PMUUGPFDOWZHFZ-UHFFFAOYSA-N 0 0 344.418 4.822 50 0 EJAARN Cc1cc(Nc2nc3ccccc3nc2Cl)n(-c2ccccc2)n1 ZINC000088604381 563974533 /nfs/dbraw/zinc/97/45/33/563974533.db2.gz IJAMBXTZXRKPNS-UHFFFAOYSA-N 0 0 335.798 4.521 50 0 EJAARN O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1cccc(Cl)c1 ZINC000000077615 563974545 /nfs/dbraw/zinc/97/45/45/563974545.db2.gz YTVASPRBFNHYPJ-UHFFFAOYSA-N 0 0 349.777 4.796 50 0 EJAARN Clc1cccc(Cl)c1-c1nc2cc[nH]c(Br)c-2n1 ZINC000091301681 563975216 /nfs/dbraw/zinc/97/52/16/563975216.db2.gz MTTMYYSIMBNURF-UHFFFAOYSA-N 0 0 343.011 4.694 50 0 EJAARN Cc1c(C(=O)N2CCC(c3ccncc3)CC2)[nH]c2c1c(C)ccc2C ZINC000091770680 563975746 /nfs/dbraw/zinc/97/57/46/563975746.db2.gz BTKLUUNREDTEKL-UHFFFAOYSA-N 0 0 347.462 4.508 50 0 EJAARN Cc1c(C(=O)N(C)[C@@H](c2ccccn2)C2CC2)[nH]c2c1c(C)ccc2C ZINC000092061681 563976004 /nfs/dbraw/zinc/97/60/04/563976004.db2.gz LZOZPUMLCGZNAM-OAQYLSRUSA-N 0 0 347.462 4.711 50 0 EJAARN CO[C@@H](C)c1cccc(NC(=O)NC(C)(C)c2nc(C)c(C)s2)c1 ZINC000072290937 563976458 /nfs/dbraw/zinc/97/64/58/563976458.db2.gz VLJRWBHJKUMQMS-LBPRGKRZSA-N 0 0 347.484 4.524 50 0 EJAARN CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(N(C)C)cc1 ZINC000000090602 563976538 /nfs/dbraw/zinc/97/65/38/563976538.db2.gz AXEALLGHOKLSQA-UHFFFAOYSA-N 0 0 349.434 4.530 50 0 EJAARN O=C(Nc1cccnc1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000072291464 563976594 /nfs/dbraw/zinc/97/65/94/563976594.db2.gz OCLMOBIOUUWTEP-UHFFFAOYSA-N 0 0 327.403 4.588 50 0 EJAARN CCCCn1ccnc1[C@H]1CCCN(c2ccc3ccccc3n2)C1 ZINC000095518645 563977352 /nfs/dbraw/zinc/97/73/52/563977352.db2.gz JBTMXEPKKUMFFS-SFHVURJKSA-N 0 0 334.467 4.615 50 0 EJAARN O=C(Cc1ccc(Br)cc1)Nc1cccc2c1CCCC2 ZINC000096171110 563979990 /nfs/dbraw/zinc/97/99/90/563979990.db2.gz FEFHRTJGBGIYFX-UHFFFAOYSA-N 0 0 344.252 4.509 50 0 EJAARN Cc1cccc(CNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000096171268 563980032 /nfs/dbraw/zinc/98/00/32/563980032.db2.gz JNKWDBIPHZIEHZ-UHFFFAOYSA-N 0 0 342.748 4.989 50 0 EJAARN COC(=O)c1ccc(-c2ccc(OCc3ccccc3)cc2)cc1OC ZINC000097756968 563981843 /nfs/dbraw/zinc/98/18/43/563981843.db2.gz PXFGSDUCHOTRSC-UHFFFAOYSA-N 0 0 348.398 4.728 50 0 EJAARN Cc1ccc(CN(C)C(=O)c2ccc(-c3ccc(F)cc3)s2)o1 ZINC000014129247 563983264 /nfs/dbraw/zinc/98/32/64/563983264.db2.gz SZFOOKNUKKRWOE-UHFFFAOYSA-N 0 0 329.396 4.728 50 0 EJAARN Cc1ccc(-c2nc(CNc3ccc(-c4cnco4)cc3)co2)cc1 ZINC000119760178 563983664 /nfs/dbraw/zinc/98/36/64/563983664.db2.gz JOOLNCAGBOPDHC-UHFFFAOYSA-N 0 0 331.375 4.917 50 0 EJAARN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(F)cc1 ZINC000014257891 563983816 /nfs/dbraw/zinc/98/38/16/563983816.db2.gz QMQAUPRJMFHXGQ-UHFFFAOYSA-N 0 0 345.377 4.930 50 0 EJAARN Cc1cc(C)n(-c2ccc(C(=O)N(Cc3ccccc3)C(C)C)cc2)n1 ZINC000014406804 563984114 /nfs/dbraw/zinc/98/41/14/563984114.db2.gz PHSZMPHZSKHZOH-UHFFFAOYSA-N 0 0 347.462 4.540 50 0 EJAARN C[C@@H]1Cc2nn(-c3ccccc3)c(-c3ccc(F)cc3)c2C(=O)[C@@H]1C ZINC000000106069 563986444 /nfs/dbraw/zinc/98/64/44/563986444.db2.gz XJEHDQSJBHXWSJ-ZIAGYGMSSA-N 0 0 334.394 4.689 50 0 EJAARN O=C(CNc1ccccc1)N1c2ccccc2Sc2ccccc21 ZINC000000107125 563986471 /nfs/dbraw/zinc/98/64/71/563986471.db2.gz HPIRUCBNZRNSBZ-UHFFFAOYSA-N 0 0 332.428 4.928 50 0 EJAARN CCOC(=O)c1sc2nc(C)nc(Nc3ccc(C)cc3)c2c1C ZINC000000109440 563986530 /nfs/dbraw/zinc/98/65/30/563986530.db2.gz HEFBYSHVPVGXJI-UHFFFAOYSA-N 0 0 341.436 4.537 50 0 EJAARN O=C(Nc1ccccc1F)c1ccc(COc2ccc(Cl)cc2)o1 ZINC000000115687 563986699 /nfs/dbraw/zinc/98/66/99/563986699.db2.gz WWOCPTXYPHWAJY-UHFFFAOYSA-N 0 0 345.757 4.903 50 0 EJAARN O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1ccccc1 ZINC000000127587 563986884 /nfs/dbraw/zinc/98/68/84/563986884.db2.gz WRRPGGNKHXCYEQ-UHFFFAOYSA-N 0 0 328.824 4.640 50 0 EJAARN CCc1ccccc1OCC(=O)Oc1ccccc1-c1ccccc1 ZINC000000131089 563986971 /nfs/dbraw/zinc/98/69/71/563986971.db2.gz IQSAEHSOTCMWFJ-UHFFFAOYSA-N 0 0 332.399 4.900 50 0 EJAARN CCc1ccc(-c2csc(NC(=O)c3cccc(OC)c3)n2)cc1 ZINC000000136928 563987025 /nfs/dbraw/zinc/98/70/25/563987025.db2.gz HZHPZNXDWSPWQG-UHFFFAOYSA-N 0 0 338.432 4.633 50 0 EJAARN O=C(CC(=O)c1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000000137244 563987042 /nfs/dbraw/zinc/98/70/42/563987042.db2.gz GLSAXNHRDBFGFY-UHFFFAOYSA-N 0 0 341.716 4.570 50 0 EJAARN O=C(Nc1nc2c(s1)CCCC2)c1ccc(Cl)c(Cl)c1 ZINC000000151145 563987308 /nfs/dbraw/zinc/98/73/08/563987308.db2.gz GQFKXRHTLPBYCP-UHFFFAOYSA-N 0 0 327.236 4.581 50 0 EJAARN O=C(OCc1ccccc1)c1ccc(OC(=O)C2CCCCC2)cc1 ZINC000000149088 563987328 /nfs/dbraw/zinc/98/73/28/563987328.db2.gz SIIAXONDLZWZMP-UHFFFAOYSA-N 0 0 338.403 4.529 50 0 EJAARN CCc1cc2c(cc1OC)occ(-c1ccc3ccccc3n1)c2=O ZINC000000178278 563987690 /nfs/dbraw/zinc/98/76/90/563987690.db2.gz AMDZNFOEFFGMFO-UHFFFAOYSA-N 0 0 331.371 4.579 50 0 EJAARN COc1ccccc1/C=C/C1=N/C(=C\C(C)=C\c2ccccc2)C(=O)O1 ZINC000000178499 563987761 /nfs/dbraw/zinc/98/77/61/563987761.db2.gz DDOMGFCOHRJSGA-GLJHBKTRSA-N 0 0 345.398 4.651 50 0 EJAARN Cc1nc2ccc3nc(NC(=O)c4ccccc4F)sc3c2s1 ZINC000000179369 563987786 /nfs/dbraw/zinc/98/77/86/563987786.db2.gz UXRHLFLIZRCOPL-UHFFFAOYSA-N 0 0 343.408 4.606 50 0 EJAARN CC(=O)c1cccc(Oc2nc(C)nc3sc4c(c32)CCCC4)c1 ZINC000000179143 563987787 /nfs/dbraw/zinc/98/77/87/563987787.db2.gz IETLELWNOUNAAQ-UHFFFAOYSA-N 0 0 338.432 4.873 50 0 EJAARN CSc1nsc(SC)c1NC(=O)Nc1ccccc1C ZINC000000180352 563987814 /nfs/dbraw/zinc/98/78/14/563987814.db2.gz BVSOWQNGWVWCNV-UHFFFAOYSA-N 0 0 325.484 4.539 50 0 EJAARN Cc1cc(OCC(=O)Nc2cccc3c2CCCC3)cc(C)c1Cl ZINC000050012187 563988046 /nfs/dbraw/zinc/98/80/46/563988046.db2.gz ZORJZRYDEFXEHN-UHFFFAOYSA-N 0 0 343.854 4.853 50 0 EJAARN Cc1ccc2c(c1)[C@@H](S(=O)(=O)c1ccccc1)c1ccccc1O2 ZINC000000209204 563988468 /nfs/dbraw/zinc/98/84/68/563988468.db2.gz OTXKRFSJRJYLCW-FQEVSTJZSA-N 0 0 336.412 4.664 50 0 EJAARN COc1ccccc1CNc1ccc(N2CCCCC2)c(Cl)c1 ZINC000000211188 563988611 /nfs/dbraw/zinc/98/86/11/563988611.db2.gz ZTFCXCOHQNYMPC-UHFFFAOYSA-N 0 0 330.859 4.951 50 0 EJAARN CCCN(CCC)C(=O)C[C@H](c1ccccc1)c1cc(C)ccc1O ZINC000000211526 563988620 /nfs/dbraw/zinc/98/86/20/563988620.db2.gz XPLXRMQVDLNJAX-LJQANCHMSA-N 0 0 339.479 4.871 50 0 EJAARN Cc1ccc(-n2c(SC(C)C)nc3c4ccccc4[nH]c3c2=O)cc1 ZINC000000214025 563988623 /nfs/dbraw/zinc/98/86/23/563988623.db2.gz JFYPYPFJULDCRZ-UHFFFAOYSA-N 0 0 349.459 4.676 50 0 EJAARN Fc1ccccc1[C@@H]1C[C@H](c2cccnc2)Nc2nc3ccccc3n21 ZINC000000223067 563988871 /nfs/dbraw/zinc/98/88/71/563988871.db2.gz APJCEEGVZKLZAQ-QUCCMNQESA-N 0 0 344.393 4.717 50 0 EJAARN COc1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000000226663 563988957 /nfs/dbraw/zinc/98/89/57/563988957.db2.gz RXDHGNRQHKOCNF-UHFFFAOYSA-N 0 0 333.387 4.527 50 0 biogenic EJAARN CCc1ccccc1NC[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000000243495 563989241 /nfs/dbraw/zinc/98/92/41/563989241.db2.gz CYSQBFQKLMKXSG-SFHVURJKSA-N 0 0 344.458 4.830 50 0 EJAARN CCOC(=O)c1oc2ccccc2c1NC(=O)c1cc2ccccc2o1 ZINC000000253061 563989644 /nfs/dbraw/zinc/98/96/44/563989644.db2.gz UXKKMQBZFPBJED-UHFFFAOYSA-N 0 0 349.342 4.608 50 0 EJAARN Cc1ccc(CSCc2ccc(C(=O)NC3CCCC3)o2)cc1 ZINC000000262935 563989759 /nfs/dbraw/zinc/98/97/59/563989759.db2.gz CUJPRTVKQGMOIQ-UHFFFAOYSA-N 0 0 329.465 4.694 50 0 EJAARN COc1cccc(NC(=O)NC[C@H](C)CSc2ccc(C)cc2)c1 ZINC000000263412 563989805 /nfs/dbraw/zinc/98/98/05/563989805.db2.gz VJGWCRZIVOTISY-HNNXBMFYSA-N 0 0 344.480 4.554 50 0 EJAARN O=C(/C=C/c1ccccc1)Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000000277222 563990179 /nfs/dbraw/zinc/99/01/79/563990179.db2.gz PBTOPWOJUMGLGZ-RMKNXTFCSA-N 0 0 341.370 4.542 50 0 EJAARN CCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3 ZINC000000294937 563990333 /nfs/dbraw/zinc/99/03/33/563990333.db2.gz SMXBXCYGUUFRRX-UHFFFAOYSA-N 0 0 348.537 4.954 50 0 EJAARN Fc1ccc(Nc2nc3ccccc3c(NCc3ccco3)n2)cc1 ZINC000000301660 563990801 /nfs/dbraw/zinc/99/08/01/563990801.db2.gz KHYQZHRIGVWYHM-UHFFFAOYSA-N 0 0 334.354 4.718 50 0 EJAARN O=C(Nc1ccccc1C(F)(F)F)c1cccc(Br)c1 ZINC000000306806 563990903 /nfs/dbraw/zinc/99/09/03/563990903.db2.gz MBTQHTKUNQIUSH-UHFFFAOYSA-N 0 0 344.130 4.720 50 0 EJAARN Fc1ccccc1Nc1nc2ccccc2c(NCc2ccco2)n1 ZINC000000315674 563990973 /nfs/dbraw/zinc/99/09/73/563990973.db2.gz CNTPIQKRQCCCGL-UHFFFAOYSA-N 0 0 334.354 4.718 50 0 EJAARN CCC[C@@H](O)c1nc2ccccc2n1CCOc1ccc(CC)cc1 ZINC000011692496 563990988 /nfs/dbraw/zinc/99/09/88/563990988.db2.gz HXUFBTANPMZPGG-HXUWFJFHSA-N 0 0 338.451 4.511 50 0 EJAARN c1ccc(CNc2nc3ccccc3n2CCOc2ccccc2)cc1 ZINC000000350003 563991497 /nfs/dbraw/zinc/99/14/97/563991497.db2.gz ORQBWMVNHRPAPM-UHFFFAOYSA-N 0 0 343.430 4.727 50 0 EJAARN CCO[C@@H](C)c1ncc(C(=O)N(CC)c2ccccc2Cl)s1 ZINC000408513044 563992706 /nfs/dbraw/zinc/99/27/06/563992706.db2.gz PYKZSHRIIWMHCT-NSHDSACASA-N 0 0 338.860 4.561 50 0 EJAARN CC[C@@H](C)[C@H]1COC(c2cccn2Cc2ccc(F)cc2Cl)=N1 ZINC000004970574 563993528 /nfs/dbraw/zinc/99/35/28/563993528.db2.gz OXUPTWGXKRMXJW-MLGOLLRUSA-N 0 0 334.822 4.520 50 0 EJAARN COc1ccccc1Nc1nc(-c2[nH]c(C)c(C(C)=O)c2C)cs1 ZINC000005156764 563995119 /nfs/dbraw/zinc/99/51/19/563995119.db2.gz SCZAOUMLANJGQO-UHFFFAOYSA-N 0 0 341.436 4.710 50 0 EJAARN Cc1cscc1NC(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000124373338 563995172 /nfs/dbraw/zinc/99/51/72/563995172.db2.gz BRXHLEWPFAAUMV-SNVBAGLBSA-N 0 0 328.359 4.958 50 0 EJAARN O=C(CSc1cc(-c2ccccc2)ncn1)c1c[nH]c2ccccc12 ZINC000011903031 563995378 /nfs/dbraw/zinc/99/53/78/563995378.db2.gz LQFFRBQRESUZKO-UHFFFAOYSA-N 0 0 345.427 4.600 50 0 EJAARN Cc1cc([C@H](C)N[C@H](C)c2nnc(-c3cccc(F)c3)s2)c(C)o1 ZINC000225577308 563995988 /nfs/dbraw/zinc/99/59/88/563995988.db2.gz YSKCVVDJLTYHON-NWDGAFQWSA-N 0 0 345.443 4.966 50 0 EJAARN C[C@H]1CN=C(N(C(=O)Nc2ccccc2)c2ccc(Cl)cc2)S1 ZINC000000161684 563996418 /nfs/dbraw/zinc/99/64/18/563996418.db2.gz RYQPBCMRVXIOPP-LBPRGKRZSA-N 0 0 345.855 4.870 50 0 EJAARN c1ccc(-c2nc3c4ccccc4oc3c(NC[C@H]3CCCO3)n2)cc1 ZINC000005164551 563997580 /nfs/dbraw/zinc/99/75/80/563997580.db2.gz GDJJMSNTVHKFTH-OAHLLOKOSA-N 0 0 345.402 4.634 50 0 aggregator EJAARN O=C(Nc1c(-c2cccs2)nc2ccccn21)C1CCCCC1 ZINC000000201401 563997852 /nfs/dbraw/zinc/99/78/52/563997852.db2.gz KRACAVRTMRDXHB-UHFFFAOYSA-N 0 0 325.437 4.582 50 0 EJAARN CCOc1ccc(NC(=O)c2c(C)c(CC)nc3ccccc32)cc1 ZINC000000411489 563998031 /nfs/dbraw/zinc/99/80/31/563998031.db2.gz ZWNBLNKMYKAOFR-UHFFFAOYSA-N 0 0 334.419 4.757 50 0 EJAARN O=C1CS[C@H](c2cccc(F)c2)N1c1cccc(C(F)(F)F)c1 ZINC000000423843 563998364 /nfs/dbraw/zinc/99/83/64/563998364.db2.gz ICWRFUPEVOSWDK-OAHLLOKOSA-N 0 0 341.329 4.623 50 0 EJAARN O=C1CS[C@@H](c2ccccc2C(F)(F)F)N1c1cccc(F)c1 ZINC000000423982 563998393 /nfs/dbraw/zinc/99/83/93/563998393.db2.gz NIWYJCHOKXTQJK-HNNXBMFYSA-N 0 0 341.329 4.623 50 0 EJAARN Cc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2cccc(C)c2C)C(=S)N1 ZINC000000424849 563998472 /nfs/dbraw/zinc/99/84/72/563998472.db2.gz JWCIRTOYWMQHGM-OXQOHEQNSA-N 0 0 338.476 4.546 50 0 EJAARN CCc1ccc(-n2cc(-c3cc4ccccc4oc3=O)[nH]c2=S)cc1 ZINC000000424450 563998476 /nfs/dbraw/zinc/99/84/76/563998476.db2.gz RDLBYNFVLYUOEZ-UHFFFAOYSA-N 0 0 348.427 4.871 50 0 EJAARN Cc1cc(C)c(NC(=O)c2sc3nc(C)cc(C)c3c2N)c(C)c1 ZINC000000422678 563998555 /nfs/dbraw/zinc/99/85/55/563998555.db2.gz AWVPAEJAJCUIAT-UHFFFAOYSA-N 0 0 339.464 4.673 50 0 EJAARN CC[C@@H](C)n1c(=O)c2sccc2nc1SCc1cccc(F)c1 ZINC000000425434 563998977 /nfs/dbraw/zinc/99/89/77/563998977.db2.gz XQKAKQCUUZZEPF-LLVKDONJSA-N 0 0 348.468 4.860 50 0 EJAARN CC[C@@H](C)n1c(=O)c2sccc2nc1SCc1ccccc1F ZINC000000425432 563998981 /nfs/dbraw/zinc/99/89/81/563998981.db2.gz SBQDUKDBICFELG-LLVKDONJSA-N 0 0 348.468 4.860 50 0 EJAARN Cc1ccc(-n2ncc3c2ncnc3Nc2ccc(C)c(C)c2)c(C)c1 ZINC000000426388 563999013 /nfs/dbraw/zinc/99/90/13/563999013.db2.gz WYWDJNMVGVDMOK-UHFFFAOYSA-N 0 0 343.434 4.793 50 0 EJAARN Cc1cccc(Nc2ncnc3c2cnn3-c2ccc(Cl)cc2)c1C ZINC000000426372 563999022 /nfs/dbraw/zinc/99/90/22/563999022.db2.gz ZAEXTZMACMJTBD-UHFFFAOYSA-N 0 0 349.825 4.829 50 0 EJAARN CCN(c1cccc(C)c1)c1ncnc2c1cnn2-c1cccc(C)c1 ZINC000000426480 563999077 /nfs/dbraw/zinc/99/90/77/563999077.db2.gz IAGJAVAGSPMHJF-UHFFFAOYSA-N 0 0 343.434 4.590 50 0 EJAARN Cc1ccc(/C=C2\N=C(c3ccc(Cl)c(Cl)c3)OC2=O)cc1 ZINC000000430326 563999357 /nfs/dbraw/zinc/99/93/57/563999357.db2.gz HDQGNVTZWCNABD-NVNXTCNLSA-N 0 0 332.186 4.646 50 0 EJAARN CC(C)OC(=O)c1c2c(sc1NC(=O)c1cccs1)CCCC2 ZINC000000435797 563999502 /nfs/dbraw/zinc/99/95/02/563999502.db2.gz XPFCNMQJNPXHKD-UHFFFAOYSA-N 0 0 349.477 4.506 50 0 EJAARN O=C(Nc1ccc(Nc2ccccc2)cc1)[C@@H]1COc2ccccc21 ZINC000078692538 564000896 /nfs/dbraw/zinc/00/08/96/564000896.db2.gz WIHSQWHOMYJWQY-LJQANCHMSA-N 0 0 330.387 4.545 50 0 EJAARN CSc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000005222705 564001248 /nfs/dbraw/zinc/00/12/48/564001248.db2.gz WLWSMJJDNGZDPQ-UHFFFAOYSA-N 0 0 334.853 4.924 50 0 EJAARN COc1cccc2c1OC1(CCCC1)N1N=C(c3ccccc3)C[C@H]21 ZINC000005235421 564001424 /nfs/dbraw/zinc/00/14/24/564001424.db2.gz JMLHZBYCPQEOFH-GOSISDBHSA-N 0 0 334.419 4.509 50 0 EJAARN CC(C)CC[C@@H](CC(=O)Nc1nccs1)[C@H]1CCOC(C)(C)C1 ZINC000005246364 564001553 /nfs/dbraw/zinc/00/15/53/564001553.db2.gz KAHPPHZFDIXLCC-GJZGRUSLSA-N 0 0 338.517 4.729 50 0 EJAARN COCCn1cc(NC(=O)Nc2c(C)cccc2C)c2ccccc21 ZINC000005266532 564001691 /nfs/dbraw/zinc/00/16/91/564001691.db2.gz CPBBMLARNOSFNJ-UHFFFAOYSA-N 0 0 337.423 4.549 50 0 EJAARN Cc1cc(Cl)cc2sc(NC(=O)Cc3ccc(F)cc3)nc21 ZINC000005268481 564002012 /nfs/dbraw/zinc/00/20/12/564002012.db2.gz NUUPHIVMCSRPHJ-UHFFFAOYSA-N 0 0 334.803 4.578 50 0 EJAARN CCCSc1nc(-c2ccc(C)cc2)nc2c1COC(C)(C)C2 ZINC000005269181 564002169 /nfs/dbraw/zinc/00/21/69/564002169.db2.gz ZPBDSQLVMGIHSE-UHFFFAOYSA-N 0 0 328.481 4.805 50 0 EJAARN CSc1ccc2nc(NC(=O)c3cccc(SC)c3)sc2c1 ZINC000005299198 564002492 /nfs/dbraw/zinc/00/24/92/564002492.db2.gz LOVHYFUEACCGFH-UHFFFAOYSA-N 0 0 346.502 4.992 50 0 EJAARN CSc1cccc2sc(NC(=O)c3ccc(Cl)cc3)nc21 ZINC000005299210 564002514 /nfs/dbraw/zinc/00/25/14/564002514.db2.gz FYZSBJNGQGZFIK-UHFFFAOYSA-N 0 0 334.853 4.924 50 0 EJAARN Cc1ccccc1-c1cc(C(=O)Nc2cccc(C(F)(F)F)c2)no1 ZINC000061997077 564002569 /nfs/dbraw/zinc/00/25/69/564002569.db2.gz RMZPTORTXDNEQX-UHFFFAOYSA-N 0 0 346.308 4.921 50 0 EJAARN Cc1ccc(-c2nc3c(c(SC(C)C)n2)COC(C)(C)C3)cc1 ZINC000005321387 564002833 /nfs/dbraw/zinc/00/28/33/564002833.db2.gz FLXJTVOEHLWWCK-UHFFFAOYSA-N 0 0 328.481 4.804 50 0 EJAARN O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1cccc(F)c1 ZINC000005392315 564003525 /nfs/dbraw/zinc/00/35/25/564003525.db2.gz JZJAXFPZIIAXSI-UHFFFAOYSA-N 0 0 346.814 4.779 50 0 EJAARN Fc1ccc(CSc2nnc(C3CC3)n2-c2ccccc2)cc1 ZINC000002524032 564003857 /nfs/dbraw/zinc/00/38/57/564003857.db2.gz GVJZWTMKBJCOIW-UHFFFAOYSA-N 0 0 325.412 4.576 50 0 EJAARN Cc1cc(C(=O)COC(=O)c2ccc3ccccc3c2)c(C)n1C1CC1 ZINC000005462279 564004379 /nfs/dbraw/zinc/00/43/79/564004379.db2.gz FCQULHDJJJABEY-UHFFFAOYSA-N 0 0 347.414 4.633 50 0 EJAARN O=C(Cc1c(Cl)cccc1Cl)N[C@H]1CCCc2ccccc21 ZINC000003360845 564004451 /nfs/dbraw/zinc/00/44/51/564004451.db2.gz QYHGGSJKFNEWLV-KRWDZBQOSA-N 0 0 334.246 4.730 50 0 EJAARN C=CC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 ZINC000005480557 564004639 /nfs/dbraw/zinc/00/46/39/564004639.db2.gz QLWGOOITNIDNOY-GBUKHBGESA-N 0 0 342.442 4.996 50 0 EJAARN Cc1c2ccccc2oc1C(=O)Nc1cc(-c2ccc(C)cc2)no1 ZINC000005487186 564004696 /nfs/dbraw/zinc/00/46/96/564004696.db2.gz LRQWEFSFAITDBX-UHFFFAOYSA-N 0 0 332.359 4.957 50 0 EJAARN CCc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000005504664 564004766 /nfs/dbraw/zinc/00/47/66/564004766.db2.gz AOYYQQRSYVICFT-OAHLLOKOSA-N 0 0 336.431 4.556 50 0 EJAARN COc1ccc(Cl)cc1C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000005527204 564004998 /nfs/dbraw/zinc/00/49/98/564004998.db2.gz RQCGVVHOFNZMBF-UHFFFAOYSA-N 0 0 344.625 4.585 50 0 EJAARN Cc1ccc(OCC(=O)N2CCCc3ccccc32)c(C(C)(C)C)c1 ZINC000005542082 564005167 /nfs/dbraw/zinc/00/51/67/564005167.db2.gz UADYTRHUISTCNM-UHFFFAOYSA-N 0 0 337.463 4.651 50 0 EJAARN CC[C@H](C)c1ccc(-c2csc(NC(=O)c3ccncc3)n2)cc1 ZINC000005579084 564005809 /nfs/dbraw/zinc/00/58/09/564005809.db2.gz DSOYCRPSNAXLGZ-ZDUSSCGKSA-N 0 0 337.448 4.971 50 0 EJAARN C=Cn1ccnc1C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000005386598 564005904 /nfs/dbraw/zinc/00/59/04/564005904.db2.gz RJBZFCXRNVBKIZ-UHFFFAOYSA-N 0 0 345.229 4.575 50 0 EJAARN CC(=O)Nc1ccc(Nc2coc3ccc4c(C)cc(=O)oc4c23)cc1 ZINC000005587399 564005995 /nfs/dbraw/zinc/00/59/95/564005995.db2.gz KWVHPOUAHZSVPS-UHFFFAOYSA-N 0 0 348.358 4.550 50 0 EJAARN C[C@H](OC(=O)c1cccn1Cc1cccs1)c1cccc(F)c1 ZINC000062584739 564006571 /nfs/dbraw/zinc/00/65/71/564006571.db2.gz ALDHBXZSYYCGAR-ZDUSSCGKSA-N 0 0 329.396 4.655 50 0 EJAARN C[C@@H](Sc1ccccn1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000005622362 564006608 /nfs/dbraw/zinc/00/66/08/564006608.db2.gz YOUSSJCHCYPPJR-OAHLLOKOSA-N 0 0 334.444 4.868 50 0 EJAARN C[P@](=O)(Nc1cccc(Br)c1)Oc1ccccc1 ZINC000003123435 564006652 /nfs/dbraw/zinc/00/66/52/564006652.db2.gz KGMWKMUJQBUXTD-GOSISDBHSA-N 0 0 326.130 4.763 50 0 EJAARN CCCOc1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)cc1OC ZINC000006881520 564006692 /nfs/dbraw/zinc/00/66/92/564006692.db2.gz HOLAAFPIHHEYNS-OQLLNIDSSA-N 0 0 343.810 4.630 50 0 EJAARN CCn1c(C)cc(C(=O)CSc2nc3ccccc3s2)c1C ZINC000005629090 564006728 /nfs/dbraw/zinc/00/67/28/564006728.db2.gz OGCIKXDOJCMGCI-UHFFFAOYSA-N 0 0 330.478 4.710 50 0 EJAARN Cc1cc(NC(=O)c2cccs2)ccc1NC(=O)C1CCCCC1 ZINC000016527256 564006949 /nfs/dbraw/zinc/00/69/49/564006949.db2.gz KRYJYQOYTBLWRH-UHFFFAOYSA-N 0 0 342.464 4.828 50 0 EJAARN Cc1cc(S(=O)(=O)Nc2cccc3ccccc32)ccc1Cl ZINC000005652453 564006985 /nfs/dbraw/zinc/00/69/85/564006985.db2.gz QENQDYBNEQDPAF-UHFFFAOYSA-N 0 0 331.824 4.602 50 0 EJAARN COc1cc(C)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC ZINC000008735864 564007153 /nfs/dbraw/zinc/00/71/53/564007153.db2.gz HUGPGHDWLQXGLL-UHFFFAOYSA-N 0 0 327.424 4.562 50 0 EJAARN Cc1ccc(C)c(N=C2NN=C(c3ccc(Cl)s3)CS2)c1 ZINC000005660403 564007415 /nfs/dbraw/zinc/00/74/15/564007415.db2.gz FWAMJGNSYKXVMC-UHFFFAOYSA-N 0 0 335.885 4.937 50 0 EJAARN FC(F)(F)c1ccc(N2CCC(F)(F)CC2)c(Br)c1 ZINC000169725673 564017201 /nfs/dbraw/zinc/01/72/01/564017201.db2.gz YESAKBGGPXELMI-UHFFFAOYSA-N 0 0 344.121 4.703 50 0 EJAARN FC(F)(F)c1cccc(Br)c1N1CCCC(F)(F)C1 ZINC000169725664 564017206 /nfs/dbraw/zinc/01/72/06/564017206.db2.gz OOHPIFSBLKDBLB-UHFFFAOYSA-N 0 0 344.121 4.703 50 0 EJAARN O=C(N=c1[nH]c2ccc3ccccc3c2s1)c1ccccc1Cl ZINC000017201143 564011388 /nfs/dbraw/zinc/01/13/88/564011388.db2.gz LEEGGQBWJCSJNE-UHFFFAOYSA-N 0 0 338.819 4.777 50 0 EJAARN CSc1cccc(NC(=O)Cc2csc(-c3cccs3)n2)c1 ZINC000017335527 564011705 /nfs/dbraw/zinc/01/17/05/564011705.db2.gz NIUVIHZSEIXRTP-UHFFFAOYSA-N 0 0 346.502 4.775 50 0 EJAARN COc1ccc2cc([C@H](C)C(=O)NCCC3=CCCCC3)ccc2c1 ZINC000017335069 564011719 /nfs/dbraw/zinc/01/17/19/564011719.db2.gz ZNIYUJKZEKTSRF-INIZCTEOSA-N 0 0 337.463 4.959 50 0 EJAARN CC(C)c1ccc(OCC(=O)Nc2cccc(Br)c2)cc1 ZINC000000129359 564012099 /nfs/dbraw/zinc/01/20/99/564012099.db2.gz BYDYJCUPTWKQKY-UHFFFAOYSA-N 0 0 348.240 4.590 50 0 EJAARN CCN(CC)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000000037909 564012272 /nfs/dbraw/zinc/01/22/72/564012272.db2.gz HXWKAGNKUZEEQZ-UHFFFAOYSA-N 0 0 347.256 4.548 50 0 EJAARN Cc1cc(NC(=O)c2cc3ccccc3o2)ccc1Br ZINC000000310795 564012343 /nfs/dbraw/zinc/01/23/43/564012343.db2.gz ISNFWDNWPHKXJC-UHFFFAOYSA-N 0 0 330.181 4.756 50 0 EJAARN CCOC(=O)c1c(C)nsc1Nc1cc(Cl)ccc1Cl ZINC000000373740 564012448 /nfs/dbraw/zinc/01/24/48/564012448.db2.gz LYVSDCYFURROGR-UHFFFAOYSA-N 0 0 331.224 4.679 50 0 EJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)/C=C/c1ccc(C)cc1 ZINC000000441746 564012631 /nfs/dbraw/zinc/01/26/31/564012631.db2.gz NGIDOOVGAOSVPN-ZHACJKMWSA-N 0 0 343.448 4.502 50 0 EJAARN CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc3ccccc3o2)c1 ZINC000000471999 564012681 /nfs/dbraw/zinc/01/26/81/564012681.db2.gz JAEIQAVKRDKOJU-UHFFFAOYSA-N 0 0 342.782 4.687 50 0 EJAARN Cc1ccc2c(N)c(C(=O)Nc3ccc(C(C)(C)C)cc3)sc2n1 ZINC000000614487 564012908 /nfs/dbraw/zinc/01/29/08/564012908.db2.gz MRMIERWHEZWJJN-UHFFFAOYSA-N 0 0 339.464 4.737 50 0 EJAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1ccccc1 ZINC000001057168 564012981 /nfs/dbraw/zinc/01/29/81/564012981.db2.gz XKVNAVJNNZYYEE-UHFFFAOYSA-N 0 0 330.181 4.756 50 0 EJAARN CC[C@@H]1CCc2sc(C(=O)Nc3cccc(C(C)=O)c3)cc2C1 ZINC000006376930 564013129 /nfs/dbraw/zinc/01/31/29/564013129.db2.gz YQFJFHISEBISKZ-CYBMUJFWSA-N 0 0 327.449 4.718 50 0 EJAARN CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)OC ZINC000169800796 564017219 /nfs/dbraw/zinc/01/72/19/564017219.db2.gz HFMWQXNBQUMFSZ-UHFFFAOYSA-N 0 0 340.634 4.504 50 0 EJAARN CCOc1cccc2cc(-c3cc(=O)oc4cc(OC)ccc43)oc21 ZINC000000489017 564017411 /nfs/dbraw/zinc/01/74/11/564017411.db2.gz DTYXUBSCTOWDFM-UHFFFAOYSA-N 0 0 336.343 4.614 50 0 biogenic EJAARN COc1ccc(NC(=O)C[C@@H](C(C)C)[C@H]2CCOC(C)(C)C2)cc1 ZINC000000491176 564017606 /nfs/dbraw/zinc/01/76/06/564017606.db2.gz HKQAZWUSSIHYBS-YJBOKZPZSA-N 0 0 333.472 4.501 50 0 biogenic EJAARN COc1nc(-c2ccccc2)ccc1-c1noc(-c2cccc(C)c2)n1 ZINC000000498599 564018247 /nfs/dbraw/zinc/01/82/47/564018247.db2.gz CMMVGQMHZHIRCG-UHFFFAOYSA-N 0 0 343.386 4.783 50 0 EJAARN S=C(Nc1ccccc1)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000018138489 564018368 /nfs/dbraw/zinc/01/83/68/564018368.db2.gz ACCWTWGWUQDPJH-UHFFFAOYSA-N 0 0 344.443 4.834 50 0 EJAARN Cc1cccnc1NC(=O)CSC(c1ccccc1)c1ccccc1 ZINC000018231244 564018883 /nfs/dbraw/zinc/01/88/83/564018883.db2.gz VTNRLUWYGAGNFP-UHFFFAOYSA-N 0 0 348.471 4.851 50 0 EJAARN Cc1c(Cl)cccc1NC(=O)CSc1nc2ccccc2o1 ZINC000000501591 564019037 /nfs/dbraw/zinc/01/90/37/564019037.db2.gz STGFADRSLOEDIT-UHFFFAOYSA-N 0 0 332.812 4.520 50 0 EJAARN COCc1c2ccccc2oc1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000005699399 564019317 /nfs/dbraw/zinc/01/93/17/564019317.db2.gz YQVOIFNQOWGIEJ-UHFFFAOYSA-N 0 0 349.308 4.850 50 0 EJAARN COc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 ZINC000000507198 564019648 /nfs/dbraw/zinc/01/96/48/564019648.db2.gz OUJYZDRJNVHLEE-UHFFFAOYSA-N 0 0 347.443 4.794 50 0 EJAARN Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1 ZINC000000509601 564019881 /nfs/dbraw/zinc/01/98/81/564019881.db2.gz RTFPXCSAGDAMFB-UHFFFAOYSA-N 0 0 326.399 4.670 50 0 EJAARN Cc1cc(Nc2nc3ccccc3nc2Cl)n(-c2ccccc2C)n1 ZINC000000523513 564021177 /nfs/dbraw/zinc/02/11/77/564021177.db2.gz TZSVTUMYZPAHHZ-UHFFFAOYSA-N 0 0 349.825 4.829 50 0 EJAARN CCOc1cc(-c2ccc(N(C)C)cc2)cc(=O)c2c(C)oc(C)c21 ZINC000000526323 564021209 /nfs/dbraw/zinc/02/12/09/564021209.db2.gz ZMBVQLALLVBWIF-UHFFFAOYSA-N 0 0 337.419 4.542 50 0 biogenic EJAARN CC[C@@H]1c2ccsc2CCN1C(=O)CCc1c[nH]c2ccccc12 ZINC000014142271 564021465 /nfs/dbraw/zinc/02/14/65/564021465.db2.gz OSIGUGGBTUHKOD-GOSISDBHSA-N 0 0 338.476 4.698 50 0 EJAARN C[C@H]1CCc2c(C(=O)Nc3nc4ccccc4s3)csc2C1 ZINC000000539097 564022293 /nfs/dbraw/zinc/02/22/93/564022293.db2.gz WKDZWCKZAMBSOJ-JTQLQIEISA-N 0 0 328.462 4.735 50 0 EJAARN CCOc1ccc(Nc2nc(-c3cccnc3)nc3ccccc32)cc1 ZINC000000547919 564022792 /nfs/dbraw/zinc/02/27/92/564022792.db2.gz QVZKGGRETXUPFQ-UHFFFAOYSA-N 0 0 342.402 4.834 50 0 EJAARN Cc1ccc(C2=NN(C(=O)c3ccccc3)[C@H](c3ccco3)C2)cc1 ZINC000000547663 564022795 /nfs/dbraw/zinc/02/27/95/564022795.db2.gz VUYUAJIUHZHAIS-IBGZPJMESA-N 0 0 330.387 4.580 50 0 EJAARN Cc1ccc(SCc2nc3sccn3c2Br)cc1 ZINC000000550404 564022872 /nfs/dbraw/zinc/02/28/72/564022872.db2.gz OAAXNYZLQAEOBS-UHFFFAOYSA-N 0 0 339.283 4.759 50 0 EJAARN O=C1N2CCCN2[C@H](c2ccc(F)cc2)N1c1cccc2ccccc21 ZINC000000550507 564022885 /nfs/dbraw/zinc/02/28/85/564022885.db2.gz STOSUHLPHVQXGC-FQEVSTJZSA-N 0 0 347.393 4.540 50 0 EJAARN O=C1[C@H](Cc2ccc(Cl)c(Cl)c2)Sc2nc3ccccc3n21 ZINC000000548869 564022932 /nfs/dbraw/zinc/02/29/32/564022932.db2.gz KXKKEUBWWMZANG-AWEZNQCLSA-N 0 0 349.242 4.700 50 0 EJAARN O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccco1 ZINC000000554456 564023050 /nfs/dbraw/zinc/02/30/50/564023050.db2.gz UQPZKTAMJHILBR-UHFFFAOYSA-N 0 0 338.750 4.994 50 0 EJAARN CSc1nc2sc3c(c2c(SC(C)C)n1)CC(C)(C)OC3 ZINC000000553667 564023090 /nfs/dbraw/zinc/02/30/90/564023090.db2.gz IUEIZPOBDNJDLK-UHFFFAOYSA-N 0 0 340.539 4.765 50 0 EJAARN S=C(c1cn(Cc2ccccc2)c2ccccc12)N1CCCCC1 ZINC000000555395 564023111 /nfs/dbraw/zinc/02/31/11/564023111.db2.gz PCDYLXHKLFUWKU-UHFFFAOYSA-N 0 0 334.488 4.851 50 0 EJAARN C[C@@H]1CCC[C@H](NC(=O)CCSCc2ccccc2Cl)[C@H]1C ZINC000103882080 564023295 /nfs/dbraw/zinc/02/32/95/564023295.db2.gz IFZFMGNQCVHAHD-KEYYUXOJSA-N 0 0 339.932 4.904 50 0 EJAARN O=C(Cc1ccc(-n2cccc2)cc1)N1CCCSc2ccccc21 ZINC000024575306 564024048 /nfs/dbraw/zinc/02/40/48/564024048.db2.gz AROHCADOJYDOSY-UHFFFAOYSA-N 0 0 348.471 4.549 50 0 EJAARN O=C(c1cc2cc(Br)ccc2o1)c1ccc(F)c(F)c1 ZINC000015215855 564024094 /nfs/dbraw/zinc/02/40/94/564024094.db2.gz HTSXWPPWDBTUTP-UHFFFAOYSA-N 0 0 337.119 4.705 50 0 EJAARN CC(C)c1ccc(-n2c(=O)c3c4c(sc3[nH]c2=S)CCC4)cc1 ZINC000017071595 564024872 /nfs/dbraw/zinc/02/48/72/564024872.db2.gz MJEBOHUCBFXQIN-UHFFFAOYSA-N 0 0 342.489 4.722 50 0 EJAARN CCC(=O)c1ccc(OCc2cc(=O)oc3cc(C)c(C)cc23)cc1 ZINC000005748288 564024994 /nfs/dbraw/zinc/02/49/94/564024994.db2.gz FGCTWBYLYMNZFJ-UHFFFAOYSA-N 0 0 336.387 4.582 50 0 EJAARN Cc1ccc(-c2noc(-c3cc(-c4cccc(Cl)c4)[nH]n3)n2)cc1 ZINC000046913988 564025488 /nfs/dbraw/zinc/02/54/88/564025488.db2.gz MZYQJIJDGINHDX-UHFFFAOYSA-N 0 0 336.782 4.756 50 0 EJAARN Cc1ccc(-c2cc(-c3nc(-c4ccccc4C)no3)n[nH]2)cc1C ZINC000046914195 564025527 /nfs/dbraw/zinc/02/55/27/564025527.db2.gz IXTMLWGXDDUXKX-UHFFFAOYSA-N 0 0 330.391 4.719 50 0 EJAARN Cc1cccc(-c2noc(-c3cc(-c4ccc(C)c(C)c4)[nH]n3)n2)c1 ZINC000046914202 564025540 /nfs/dbraw/zinc/02/55/40/564025540.db2.gz QPARTHUHZQUWIX-UHFFFAOYSA-N 0 0 330.391 4.719 50 0 EJAARN COC(=O)c1c(NC2CCCCCC2)onc1-c1cccc(Cl)c1 ZINC000046914605 564025597 /nfs/dbraw/zinc/02/55/97/564025597.db2.gz XQVUMPYITHJZNH-UHFFFAOYSA-N 0 0 348.830 4.916 50 0 EJAARN Cc1cccc2sc(NC(=O)c3ccc(-c4cnco4)cc3)nc21 ZINC000047411508 564026238 /nfs/dbraw/zinc/02/62/38/564026238.db2.gz GMFXUDWAZCFSFA-UHFFFAOYSA-N 0 0 335.388 4.512 50 0 EJAARN Cc1ccsc1C(=O)Nc1ccccc1CN1CCc2ccccc21 ZINC000047418580 564026277 /nfs/dbraw/zinc/02/62/77/564026277.db2.gz VXGTXWLYTKXWIA-UHFFFAOYSA-N 0 0 348.471 4.872 50 0 EJAARN Cc1ccc(Nc2nc3ccccc3nc2C(=O)OC(C)C)c(C)c1 ZINC000045901453 564028816 /nfs/dbraw/zinc/02/88/16/564028816.db2.gz BJUOFZGHKFNEPU-UHFFFAOYSA-N 0 0 335.407 4.555 50 0 EJAARN Cc1cccc(CSc2nccn3nc(-c4ccccc4)cc23)c1 ZINC000045925242 564028899 /nfs/dbraw/zinc/02/88/99/564028899.db2.gz OTAKBNUCENTETE-UHFFFAOYSA-N 0 0 331.444 4.997 50 0 EJAARN O=C(Nc1nc2ccccc2s1)N1CCC[C@H]1c1ccsc1 ZINC000045954916 564028999 /nfs/dbraw/zinc/02/89/99/564028999.db2.gz GCAUZSGHCHOXGD-ZDUSSCGKSA-N 0 0 329.450 4.727 50 0 EJAARN Cc1nn(-c2ccccc2)c2nc(OCc3ccc(F)cc3)cc(C)c12 ZINC000045995259 564029055 /nfs/dbraw/zinc/02/90/55/564029055.db2.gz FSMSHZUXBLIUAC-UHFFFAOYSA-N 0 0 347.393 4.755 50 0 EJAARN O=C(Cc1c(F)cccc1Cl)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000046018079 564029214 /nfs/dbraw/zinc/02/92/14/564029214.db2.gz NQFPDHVWZMWZSX-QGZVFWFLSA-N 0 0 335.781 4.524 50 0 EJAARN CCCCOc1ccc2oc(C)c(C(=O)NC3CCCCC3)c2c1 ZINC000046086074 564029539 /nfs/dbraw/zinc/02/95/39/564029539.db2.gz ALDUNTIOODHVDL-UHFFFAOYSA-N 0 0 329.440 4.983 50 0 EJAARN Cc1nnc([C@@H](C)Sc2nnc(-c3ccc(C(C)(C)C)cc3)o2)o1 ZINC000048188067 564030019 /nfs/dbraw/zinc/03/00/19/564030019.db2.gz BBLNPHAAMYFYRY-SNVBAGLBSA-N 0 0 344.440 4.579 50 0 EJAARN Cc1ccccc1SCC(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000048253713 564030472 /nfs/dbraw/zinc/03/04/72/564030472.db2.gz YKMYLSYSRHYHNP-UHFFFAOYSA-N 0 0 338.432 4.744 50 0 EJAARN CCN(C(=O)c1cccnc1)[C@@H](Cc1ccccc1)c1ccccc1 ZINC000019898386 564030771 /nfs/dbraw/zinc/03/07/71/564030771.db2.gz HKBHNTHRPSZIIT-NRFANRHFSA-N 0 0 330.431 4.528 50 0 EJAARN CCCc1noc([C@H](C)Sc2nc3ccccc3n2C(F)F)n1 ZINC000048324180 564030910 /nfs/dbraw/zinc/03/09/10/564030910.db2.gz HLSRUPFQFQVUEG-VIFPVBQESA-N 0 0 338.383 4.620 50 0 EJAARN Cc1ncsc1C(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000048326276 564030963 /nfs/dbraw/zinc/03/09/63/564030963.db2.gz GOIDDGSDZQZJSL-MRXNPFEDSA-N 0 0 328.481 4.726 50 0 EJAARN Cc1oc(-c2cccs2)nc1CN(Cc1ccccn1)C(C)C ZINC000048313830 564031012 /nfs/dbraw/zinc/03/10/12/564031012.db2.gz NOZZAJYTTKOVFJ-UHFFFAOYSA-N 0 0 327.453 4.517 50 0 EJAARN Cc1cccc(OCc2nnc(S[C@@H](C)c3ccc(F)cc3)o2)c1 ZINC000048331589 564031146 /nfs/dbraw/zinc/03/11/46/564031146.db2.gz YQGPAFPOXILMQM-ZDUSSCGKSA-N 0 0 344.411 4.949 50 0 EJAARN COc1cc([C@@H](C)NC(=O)[C@@H]2CC=CCC2)ccc1OC1CCCC1 ZINC000048340054 564031194 /nfs/dbraw/zinc/03/11/94/564031194.db2.gz VENLRASEXVWVPZ-HZPDHXFCSA-N 0 0 343.467 4.550 50 0 EJAARN CCCCCC(=O)Nc1ccc(-c2csc(CCOC)n2)cc1 ZINC000048344300 564031266 /nfs/dbraw/zinc/03/12/66/564031266.db2.gz OLQCMCRBSNNTEX-UHFFFAOYSA-N 0 0 332.469 4.518 50 0 EJAARN Cc1nc(C(=O)Nc2cccc(CO[C@H]3CCC[C@@H](C)C3)c2)cs1 ZINC000062922924 564031964 /nfs/dbraw/zinc/03/19/64/564031964.db2.gz UNAYUGMZJJQLJR-DYVFJYSZSA-N 0 0 344.480 4.799 50 0 EJAARN c1csc(CN=Nc2nc3ccccc3c(-c3ccccc3)n2)c1 ZINC000245264373 564033211 /nfs/dbraw/zinc/03/32/11/564033211.db2.gz CZLIPSSNXOSHOW-UHFFFAOYSA-N 0 0 330.416 4.804 50 0 EJAARN Cc1ccccc1NC(=O)N1CCn2cccc2[C@H]1c1cccc(F)c1 ZINC000006816344 564033514 /nfs/dbraw/zinc/03/35/14/564033514.db2.gz QKOWLPZHKIOVKC-HXUWFJFHSA-N 0 0 349.409 4.573 50 0 EJAARN CCCCN(CCCC)C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000006942265 564033856 /nfs/dbraw/zinc/03/38/56/564033856.db2.gz PAQRDHWVWDUGGI-UHFFFAOYSA-N 0 0 333.863 4.773 50 0 EJAARN Cc1sc(-c2ccc(Cl)cc2)nc1C(=O)Oc1cccc(N)c1 ZINC000012324938 564034111 /nfs/dbraw/zinc/03/41/11/564034111.db2.gz RMQGVOFXFBXMDV-UHFFFAOYSA-N 0 0 344.823 4.573 50 0 EJAARN Clc1ccc2nc(-c3ccncc3)c(NC3CCCCC3)n2c1 ZINC000000779116 564034202 /nfs/dbraw/zinc/03/42/02/564034202.db2.gz NMBIPLSYIFLIRE-UHFFFAOYSA-N 0 0 326.831 4.794 50 0 EJAARN O=C(/C=C/c1ccco1)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000024876784 564034206 /nfs/dbraw/zinc/03/42/06/564034206.db2.gz RRDOXVDOHZELJN-CHHLAKQQSA-N 0 0 343.382 4.945 50 0 EJAARN C[C@H](NC(=O)COc1cccc2ccccc21)c1cc2ccccc2o1 ZINC000008156416 564034780 /nfs/dbraw/zinc/03/47/80/564034780.db2.gz CIHLLHBTEHOEDG-HNNXBMFYSA-N 0 0 345.398 4.842 50 0 EJAARN Cc1nnc(S[C@@H](C)c2ccc(F)cc2)n1-c1ccc(C)cc1 ZINC000008232942 564034922 /nfs/dbraw/zinc/03/49/22/564034922.db2.gz RNCJKISOEFVRSO-ZDUSSCGKSA-N 0 0 327.428 4.877 50 0 EJAARN O=C(Cc1ccccc1Cl)NCCc1ccc(-c2ccoc2)s1 ZINC000390830229 564034958 /nfs/dbraw/zinc/03/49/58/564034958.db2.gz JQNSJOXHNXGSIS-UHFFFAOYSA-N 0 0 345.851 4.563 50 0 EJAARN Cc1cc2n(n1)[C@@H](c1ccccc1C(F)(F)F)Nc1ccccc1-2 ZINC000000817690 564034994 /nfs/dbraw/zinc/03/49/94/564034994.db2.gz PSRGKHDIYHLUEE-KRWDZBQOSA-N 0 0 329.325 4.850 50 0 EJAARN COc1ccc(Cl)cc1C(=O)NCc1ccc(-c2ccoc2)cc1 ZINC000390831392 564035028 /nfs/dbraw/zinc/03/50/28/564035028.db2.gz ROCREUXZBIDJSF-UHFFFAOYSA-N 0 0 341.794 4.539 50 0 EJAARN Cc1ccccc1NC(=O)NCCc1ccc(-c2ccoc2)s1 ZINC000390831796 564035120 /nfs/dbraw/zinc/03/51/20/564035120.db2.gz UZHSXUYBJKFHMZ-UHFFFAOYSA-N 0 0 326.421 4.681 50 0 EJAARN Cc1csc(N(C(=O)[C@@H](C)Oc2ccccc2)c2ccccc2)n1 ZINC000032985997 564036326 /nfs/dbraw/zinc/03/63/26/564036326.db2.gz LOYLSIAGWSAVQN-OAHLLOKOSA-N 0 0 338.432 4.584 50 0 EJAARN O=C(c1cc2ccccc2[nH]1)N(Cc1ccco1)Cc1cccs1 ZINC000024460519 564036521 /nfs/dbraw/zinc/03/65/21/564036521.db2.gz FGXWLUMSKWSGFE-UHFFFAOYSA-N 0 0 336.416 4.665 50 0 EJAARN C[C@@H]1CCN(C(=O)/C=C\c2ccc(F)cc2)c2ccccc2S1 ZINC000033497254 564036823 /nfs/dbraw/zinc/03/68/23/564036823.db2.gz KCKAIPRBAGGXCT-KOTGUFOOSA-N 0 0 327.424 4.756 50 0 EJAARN CCN(C[C@@H]1CCCCO1)C(=O)c1ccccc1Oc1ccccc1 ZINC000222821706 564037992 /nfs/dbraw/zinc/03/79/92/564037992.db2.gz FKGFOGGVQVTPGX-SFHVURJKSA-N 0 0 339.435 4.510 50 0 EJAARN COCc1cccc(C(=O)Nc2ncc(-c3ccccc3C)s2)c1 ZINC000225449501 564046876 /nfs/dbraw/zinc/04/68/76/564046876.db2.gz HZSCVULTIDTEFO-UHFFFAOYSA-N 0 0 338.432 4.517 50 0 EJAARN Clc1cnc(N2CCC(c3nc4ccccc4[nH]3)CC2)c(Cl)c1 ZINC000225498746 564047312 /nfs/dbraw/zinc/04/73/12/564047312.db2.gz ARXJSEMIHFTYBT-UHFFFAOYSA-N 0 0 347.249 4.649 50 0 EJAARN C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@@]34C)[C@@H]1Cc1sc(N)nc12 ZINC000239338749 564051587 /nfs/dbraw/zinc/05/15/87/564051587.db2.gz LDZFZRSSOBEODZ-GWTKTOIUSA-N 0 0 330.541 5.172 50 0 EJAARN CCOc1ccccc1-c1nc(-c2[nH]c(C)c(C(C)=O)c2C)cs1 ZINC000239366961 564051616 /nfs/dbraw/zinc/05/16/16/564051616.db2.gz AGYQMDHHDUOLLY-UHFFFAOYSA-N 0 0 340.448 5.023 50 0 EJAARN Cc1ccc(SCC(=O)N[C@H](C)c2ccc3ccccc3c2)cc1 ZINC000241132941 564051869 /nfs/dbraw/zinc/05/18/69/564051869.db2.gz JNKKQLUMHXVIAJ-MRXNPFEDSA-N 0 0 335.472 5.118 50 0 EJAARN CCc1c[nH]c(S[C@H](c2ccc(Cl)cc2)C2CCOCC2)n1 ZINC000241383342 564051963 /nfs/dbraw/zinc/05/19/63/564051963.db2.gz MUMKKXSQOHGMDG-MRXNPFEDSA-N 0 0 336.888 4.886 50 0 EJAARN CC(C)n1cccc1C(=O)N1CCCCC[C@H]1c1cccc(F)c1 ZINC000244724657 564052257 /nfs/dbraw/zinc/05/22/57/564052257.db2.gz MYDJFIIGKFMVJD-SFHVURJKSA-N 0 0 328.431 4.966 50 0 EJAARN CCCN(CC1CC1)C(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000244900231 564052374 /nfs/dbraw/zinc/05/23/74/564052374.db2.gz ZYISDZVNAWVLEV-UHFFFAOYSA-N 0 0 325.412 4.528 50 0 EJAARN CN(CC(=O)Nc1cccc2ccccc21)Cc1ccc(Cl)s1 ZINC000018939118 564052725 /nfs/dbraw/zinc/05/27/25/564052725.db2.gz DNMDNTGLUUENMZ-UHFFFAOYSA-N 0 0 344.867 4.625 50 0 EJAARN CC(C)Cc1cc(C(=O)N2CCCCC[C@@H]2c2cccc(F)c2)no1 ZINC000252494385 564053478 /nfs/dbraw/zinc/05/34/78/564053478.db2.gz NUHJHZIQCNUDPQ-LJQANCHMSA-N 0 0 344.430 4.770 50 0 EJAARN Cc1ccc(SC2CCN(C(=O)[C@H](C)c3ccccc3)CC2)cc1 ZINC000252497582 564053521 /nfs/dbraw/zinc/05/35/21/564053521.db2.gz QKKNRAALUDIVFF-QGZVFWFLSA-N 0 0 339.504 4.882 50 0 EJAARN O=C(Nc1ccc(Br)cc1)c1sccc1-n1cccc1 ZINC000025153103 564053649 /nfs/dbraw/zinc/05/36/49/564053649.db2.gz LKKHXYZKXSWQDI-UHFFFAOYSA-N 0 0 347.237 4.554 50 0 EJAARN CC(C)CN(CC(C)C)c1nc(-c2cccnc2)nc2ccccc21 ZINC000000947599 564053657 /nfs/dbraw/zinc/05/36/57/564053657.db2.gz UPYGENNNUONIRY-UHFFFAOYSA-N 0 0 334.467 4.810 50 0 EJAARN O=C1CCCC[C@@H]([C@H](Nc2ccc(Cl)cc2)c2ccccc2)N1 ZINC000000968502 564053827 /nfs/dbraw/zinc/05/38/27/564053827.db2.gz TZYDIYSEXPFVNE-PKOBYXMFSA-N 0 0 328.843 4.552 50 0 EJAARN O=C1NC(=S)SC1=Cc1ccccc1OCc1ccccc1 ZINC000001083950 564054313 /nfs/dbraw/zinc/05/43/13/564054313.db2.gz MWUFOKSMESXRKW-XNTDXEJSSA-N 0 0 327.430 4.595 50 0 EJAARN Cc1cc(C)n(-c2ncnc3sc(C)c(-c4ccc(F)cc4)c32)n1 ZINC000001094907 564054402 /nfs/dbraw/zinc/05/44/02/564054402.db2.gz JBBMOUBEPOPFGT-UHFFFAOYSA-N 0 0 338.411 4.608 50 0 EJAARN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC(=O)[C@@H]3[C@@H]4CCC[C@@]4(C)CC[C@H]32)C1 ZINC000257345835 564055871 /nfs/dbraw/zinc/05/58/71/564055871.db2.gz KLFLXXSXHKVJTP-BXCFIBNVSA-N 0 0 332.484 4.530 50 0 EJAARN CO[C@@H]1C[C@@H]2[C@@H]3CC[C@H](C(C)=O)[C@]3(C)CC[C@@H]2[C@]2(C)CC[C@@H]3C[C@]312 ZINC000257357684 564055983 /nfs/dbraw/zinc/05/59/83/564055983.db2.gz PJHBKOQWGPXVAP-QKCQJNTGSA-N 0 0 330.512 4.859 50 0 EJAARN C[C@@]12CC[C@H]3[C@@H](CC=C4C(C)(C)C(=O)CC[C@]43C)[C@H]1CC[C@]2(C)O ZINC000257358834 564056006 /nfs/dbraw/zinc/05/60/06/564056006.db2.gz WSGNVOUHNLZNHQ-JPKSVAGLSA-N 0 0 330.512 4.905 50 0 EJAARN O=C(Nc1ccc(Cl)cc1)c1nccc(C(F)(F)F)c1Cl ZINC000263639678 564056502 /nfs/dbraw/zinc/05/65/02/564056502.db2.gz DDTQAQATUONUTR-UHFFFAOYSA-N 0 0 335.112 4.660 50 0 EJAARN Cc1ccc(C(=O)Nc2c(-c3cccs3)nc3ccccn32)cc1C ZINC000005888220 564056789 /nfs/dbraw/zinc/05/67/89/564056789.db2.gz OVLYCPRZKRRHIL-UHFFFAOYSA-N 0 0 347.443 4.932 50 0 EJAARN c1sc2nc(-c3ccccn3)nc(NC3CC3)c2c1-c1ccccc1 ZINC000005937255 564057073 /nfs/dbraw/zinc/05/70/73/564057073.db2.gz PAZHMXDNAHWBFB-UHFFFAOYSA-N 0 0 344.443 4.995 50 0 EJAARN Cc1ccc(-c2cc(C(=O)Nc3cccnc3)c3ccccc3n2)cc1 ZINC000005935785 564057083 /nfs/dbraw/zinc/05/70/83/564057083.db2.gz NKNRQGQOZOMJQJ-UHFFFAOYSA-N 0 0 339.398 4.858 50 0 EJAARN CCOc1ccc(Oc2ccc(NC(=O)c3cccnc3)cc2)cc1 ZINC000005938242 564057196 /nfs/dbraw/zinc/05/71/96/564057196.db2.gz UUOXQQQAYGTZKU-UHFFFAOYSA-N 0 0 334.375 4.525 50 0 EJAARN CCC(C)(C)NC(=O)CCN1c2ccccc2Sc2ccccc21 ZINC000005977787 564057393 /nfs/dbraw/zinc/05/73/93/564057393.db2.gz FCZBVAXDJSEXPI-UHFFFAOYSA-N 0 0 340.492 4.984 50 0 EJAARN CCN(CC)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1 ZINC000006026426 564057670 /nfs/dbraw/zinc/05/76/70/564057670.db2.gz ZTLLGORWPTWQFL-UHFFFAOYSA-N 0 0 338.785 4.717 50 0 EJAARN CC[C@H](C)c1ccc(NCCC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000006026765 564057690 /nfs/dbraw/zinc/05/76/90/564057690.db2.gz XMJNBNWOYODSSI-AWEZNQCLSA-N 0 0 325.408 4.614 50 0 EJAARN CCc1ccc2nc(NC(=O)CSc3cccs3)sc2c1 ZINC000031603954 564057830 /nfs/dbraw/zinc/05/78/30/564057830.db2.gz RKXQLPSMDSZBLN-UHFFFAOYSA-N 0 0 334.491 4.651 50 0 EJAARN O=C(Nc1ccccc1)c1ccccc1OCc1nc2ccccc2o1 ZINC000031678932 564057924 /nfs/dbraw/zinc/05/79/24/564057924.db2.gz MWYYJPXVRLJYKC-UHFFFAOYSA-N 0 0 344.370 4.659 50 0 EJAARN O=C(Nc1nc2ccccc2[nH]1)c1sc2ccccc2c1Cl ZINC000012529416 564058226 /nfs/dbraw/zinc/05/82/26/564058226.db2.gz QSCUXMZCGFRXLP-UHFFFAOYSA-N 0 0 327.796 4.683 50 0 EJAARN CC(C)CC(=O)Nc1ccc(-c2cn3cc(Cl)ccc3n2)cc1 ZINC000012529557 564058238 /nfs/dbraw/zinc/05/82/38/564058238.db2.gz QCFFIFSHWXWACL-UHFFFAOYSA-N 0 0 327.815 4.639 50 0 EJAARN O=C(Nc1ccncc1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000012537669 564058441 /nfs/dbraw/zinc/05/84/41/564058441.db2.gz AEUZXAMCGBUTGJ-UHFFFAOYSA-N 0 0 341.370 4.656 50 0 EJAARN C[C@H](Sc1ncc2ccccn21)C(=O)Nc1cccc2ccccc21 ZINC000012541241 564058690 /nfs/dbraw/zinc/05/86/90/564058690.db2.gz KLIAROSUCMSEGI-AWEZNQCLSA-N 0 0 347.443 4.607 50 0 EJAARN COc1ccccc1NC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000012543180 564058760 /nfs/dbraw/zinc/05/87/60/564058760.db2.gz QODIIEQDKZHAMO-UHFFFAOYSA-N 0 0 339.439 4.720 50 0 EJAARN O=C(COC(=O)c1ccccc1Nc1ccccc1)c1ccccc1F ZINC000003261950 564058787 /nfs/dbraw/zinc/05/87/87/564058787.db2.gz FNGDGGXFJKBRBL-UHFFFAOYSA-N 0 0 349.361 4.609 50 0 EJAARN Cc1ncc(-c2ccc(NC(=O)c3ccccc3OC(F)F)cc2)o1 ZINC000043965812 564058865 /nfs/dbraw/zinc/05/88/65/564058865.db2.gz OWEFOXGHWVJNCG-UHFFFAOYSA-N 0 0 344.317 4.504 50 0 EJAARN Cc1ccc2c(c1)S[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000012551903 564059179 /nfs/dbraw/zinc/05/91/79/564059179.db2.gz VDERLXDZEAMPNZ-OAHLLOKOSA-N 0 0 338.259 4.957 50 0 EJAARN Cc1ccc(-c2csc(NC(=O)c3ccc(F)cc3F)n2)cc1 ZINC000003321857 564059224 /nfs/dbraw/zinc/05/92/24/564059224.db2.gz WVDKYZQIDUKEFN-UHFFFAOYSA-N 0 0 330.359 4.649 50 0 EJAARN O=C(Nc1ccc(Cl)cc1)N[C@H](c1ccccc1)c1ccccn1 ZINC000012557613 564059352 /nfs/dbraw/zinc/05/93/52/564059352.db2.gz JZLQJERXAWUAPW-GOSISDBHSA-N 0 0 337.810 4.646 50 0 EJAARN CSc1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000003483512 564059827 /nfs/dbraw/zinc/05/98/27/564059827.db2.gz TVKQBWDJOANSEJ-UHFFFAOYSA-N 0 0 344.436 4.923 50 0 EJAARN CCc1cccc(CC)c1NC(=O)CSc1nc2ccccc2o1 ZINC000003618904 564060056 /nfs/dbraw/zinc/06/00/56/564060056.db2.gz DGZLROWOAFENTK-UHFFFAOYSA-N 0 0 340.448 4.683 50 0 EJAARN CCCc1ccc(C(=O)N(Cc2ccsc2)CC(F)(F)F)cc1 ZINC000044447496 564060141 /nfs/dbraw/zinc/06/01/41/564060141.db2.gz YWRSAHBGPSHDSW-UHFFFAOYSA-N 0 0 341.398 4.905 50 0 EJAARN Cc1nc(-c2ccc(N[C@@H](C)C(=O)Nc3ccccc3)cc2)cs1 ZINC000012586396 564060181 /nfs/dbraw/zinc/06/01/81/564060181.db2.gz MMJKBZXJXHJOCK-ZDUSSCGKSA-N 0 0 337.448 4.558 50 0 EJAARN CN(Cc1c(F)cccc1Cl)c1ncnc2c3ccccc3oc21 ZINC000012595399 564060272 /nfs/dbraw/zinc/06/02/72/564060272.db2.gz SNHUGPBIHWVGOL-UHFFFAOYSA-N 0 0 341.773 4.805 50 0 EJAARN Cc1cccc(COc2ccccc2C(=O)Nc2ccc(F)cc2)c1 ZINC000012616659 564060664 /nfs/dbraw/zinc/06/06/64/564060664.db2.gz KXMZHNSKAWCCPN-UHFFFAOYSA-N 0 0 335.378 4.965 50 0 EJAARN CSc1ccccc1-c1nc2cc(C(F)(F)F)ccc2c(=O)o1 ZINC000012619783 564060684 /nfs/dbraw/zinc/06/06/84/564060684.db2.gz XWMYEHWMMTVRAL-UHFFFAOYSA-N 0 0 337.322 4.596 50 0 EJAARN Cc1c2cc(Br)ccc2oc1C(=O)Oc1ccccc1 ZINC000012619369 564060710 /nfs/dbraw/zinc/06/07/10/564060710.db2.gz PXJPOEGYDXQOOT-UHFFFAOYSA-N 0 0 331.165 4.723 50 0 EJAARN O=C1CC[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)O1 ZINC000299804050 564060868 /nfs/dbraw/zinc/06/08/68/564060868.db2.gz VJLGDGZIQFQJOV-JOCHJYFZSA-N 0 0 344.410 4.658 50 0 EJAARN C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004026901 564061243 /nfs/dbraw/zinc/06/12/43/564061243.db2.gz SOMOGWLYTLQJGT-TVWSYJQDSA-N 0 0 336.903 4.836 50 0 biogenic EJAARN CC(=O)c1sccc1-c1ccccc1C(=O)N(C(C)C)C(C)C ZINC000534637029 564061367 /nfs/dbraw/zinc/06/13/67/564061367.db2.gz JRCGPQQPJUDVHP-UHFFFAOYSA-N 0 0 329.465 4.877 50 0 EJAARN CCCC[C@@H]1C=CCN1C(=O)c1cccc(-c2c(C)[nH]nc2C2CC2)c1 ZINC000534667787 564061567 /nfs/dbraw/zinc/06/15/67/564061567.db2.gz HQEGAWUCDLLDOE-LJQANCHMSA-N 0 0 349.478 4.833 50 0 EJAARN O=C(C[C@H](c1cccc2ccccc21)n1cccc1)Nc1ccccn1 ZINC000263588568 564061907 /nfs/dbraw/zinc/06/19/07/564061907.db2.gz VUKQJNVRWXYZSU-HXUWFJFHSA-N 0 0 341.414 4.655 50 0 EJAARN CC(/C=C1/SC(=O)N(c2ccc(O)cc2)C1=O)=C/c1ccccc1 ZINC000001236419 564062260 /nfs/dbraw/zinc/06/22/60/564062260.db2.gz SBULCXPNJGZXRW-RTNVFWHRSA-N 0 0 337.400 4.579 50 0 EJAARN CCc1cc2c(ncnc2SCc2cn3c(cccc3C)n2)s1 ZINC000012655174 564062422 /nfs/dbraw/zinc/06/24/22/564062422.db2.gz GYZAGASOKYOIDX-UHFFFAOYSA-N 0 0 340.477 4.502 50 0 EJAARN c1nn(-c2ccccc2)c2ncnc(Nc3cccc4ccccc43)c12 ZINC000001242527 564062665 /nfs/dbraw/zinc/06/26/65/564062665.db2.gz QEIZVGVWXZEOQI-UHFFFAOYSA-N 0 0 337.386 4.712 50 0 EJAARN O=C1C(=O)N(c2ccc(F)cc2)[C@@H](c2ccccc2)C1c1ccccc1 ZINC000045942386 564063898 /nfs/dbraw/zinc/06/38/98/564063898.db2.gz SEPOPQHITJZSHN-FQEVSTJZSA-N 0 0 345.373 4.883 50 0 EJAARN CN(C(=O)c1cccn1Cc1ccccc1)c1ccc2ccccc2c1 ZINC000083869519 564064098 /nfs/dbraw/zinc/06/40/98/564064098.db2.gz YNPJNFXMRHVIGX-UHFFFAOYSA-N 0 0 340.426 4.966 50 0 EJAARN FC(F)(F)c1cc(Sc2ccccc2)nc(-c2ccccn2)n1 ZINC000001384881 564064189 /nfs/dbraw/zinc/06/41/89/564064189.db2.gz VPTCZAKDARKHLQ-UHFFFAOYSA-N 0 0 333.338 4.709 50 0 EJAARN CC(C)NC(=O)OCc1cccnc1Sc1ccc(Cl)cc1 ZINC000001388861 564064328 /nfs/dbraw/zinc/06/43/28/564064328.db2.gz HIGZWKBHRORTJP-UHFFFAOYSA-N 0 0 336.844 4.521 50 0 EJAARN CN(C(=O)C(c1ccccc1)c1ccccc1)c1nc2ccccc2o1 ZINC000012733752 564064419 /nfs/dbraw/zinc/06/44/19/564064419.db2.gz IBNBPEAVYIMAAC-UHFFFAOYSA-N 0 0 342.398 4.623 50 0 EJAARN c1cc2nc(SCc3ccccc3)nc(N3CCCC3)c2s1 ZINC000001398462 564064820 /nfs/dbraw/zinc/06/48/20/564064820.db2.gz QXHRPAQZAJCPEG-UHFFFAOYSA-N 0 0 327.478 4.584 50 0 EJAARN Cc1c(OCc2ccccc2)c(C(F)(F)F)nn1-c1ccccc1 ZINC000001396750 564064916 /nfs/dbraw/zinc/06/49/16/564064916.db2.gz PMXLRRKCXQBFJU-UHFFFAOYSA-N 0 0 332.325 4.779 50 0 EJAARN O=C(Nc1cccc(Cl)c1)c1cccc(OCc2cscn2)c1 ZINC000012739838 564064955 /nfs/dbraw/zinc/06/49/55/564064955.db2.gz SNODTAVBDQHWBG-UHFFFAOYSA-N 0 0 344.823 4.628 50 0 EJAARN COc1ccc2c(c1)C=C[C@]1(O2)N(C)c2ccc(Cl)cc2C1(C)C ZINC000001402324 564065069 /nfs/dbraw/zinc/06/50/69/564065069.db2.gz NDJGQCKPEFCWIA-HXUWFJFHSA-N 0 0 341.838 4.878 50 0 EJAARN O[C@@H](CNc1ncnc2cc(Cl)ccc21)c1ccc2ccccc2c1 ZINC000001406298 564065224 /nfs/dbraw/zinc/06/52/24/564065224.db2.gz GKLVGBODYHGORN-IBGZPJMESA-N 0 0 349.821 4.582 50 0 EJAARN Fc1cccc(Cl)c1[C@@H]1NC(=S)N=C2c3ccccc3CCC21 ZINC000001407517 564065261 /nfs/dbraw/zinc/06/52/61/564065261.db2.gz OHFUGXXBNSPDOQ-QGZVFWFLSA-N 0 0 344.842 4.767 50 0 EJAARN Cc1nc(-c2ccccc2)ccc1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000012746329 564065742 /nfs/dbraw/zinc/06/57/42/564065742.db2.gz KVNYREFHAHFNTQ-CQSZACIVSA-N 0 0 334.394 4.687 50 0 EJAARN Cc1[nH]c2ccc(C(=O)N3CCCCC[C@H]3c3ccncc3)cc2c1C ZINC000083996558 564065744 /nfs/dbraw/zinc/06/57/44/564065744.db2.gz YREOTTVRZWSXSQ-NRFANRHFSA-N 0 0 347.462 4.937 50 0 EJAARN CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3c(c2)oc2ccccc23)c1C ZINC000084007978 564065781 /nfs/dbraw/zinc/06/57/81/564065781.db2.gz IEJNHUCPIIDAAH-UHFFFAOYSA-N 0 0 346.386 4.986 50 0 EJAARN C[C@H](SCc1cccc(Cl)c1)C(=O)Nc1ccc(F)c(F)c1 ZINC000015490534 564066308 /nfs/dbraw/zinc/06/63/08/564066308.db2.gz XFXQLFWGIBIMOU-JTQLQIEISA-N 0 0 341.810 4.879 50 0 EJAARN CS[C@H](C)C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000084098548 564066479 /nfs/dbraw/zinc/06/64/79/564066479.db2.gz TVKBMZNXQWNUGM-CYBMUJFWSA-N 0 0 338.432 4.699 50 0 EJAARN CC(C)(C)c1ccc([C@@H]2CC(=O)Oc3c4ccccc4oc(=O)c32)cc1 ZINC000001427671 564066874 /nfs/dbraw/zinc/06/68/74/564066874.db2.gz CDXNHRKMTARBNS-INIZCTEOSA-N 0 0 348.398 4.532 50 0 EJAARN O=C(CCNc1ccc(OC(F)(F)Cl)cc1)c1cccs1 ZINC000001430463 564066951 /nfs/dbraw/zinc/06/69/51/564066951.db2.gz IHDCNQJTGASFJS-UHFFFAOYSA-N 0 0 331.771 4.601 50 0 EJAARN O=C(c1csc(-c2ccsc2)n1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000012751905 564067028 /nfs/dbraw/zinc/06/70/28/564067028.db2.gz LXTOMDZFDXCGNQ-OLZOCXBDSA-N 0 0 332.494 4.524 50 0 EJAARN Cc1cc(C(=O)N(c2nc3ccccc3s2)c2ccccc2C)no1 ZINC000084244046 564067473 /nfs/dbraw/zinc/06/74/73/564067473.db2.gz LADZBVJCSQTPNM-UHFFFAOYSA-N 0 0 349.415 4.880 50 0 EJAARN Cc1cccc(NC(=S)Nc2ccccc2Oc2ccccc2)n1 ZINC000084229685 564067494 /nfs/dbraw/zinc/06/74/94/564067494.db2.gz RTCVHEMGPFZDBY-UHFFFAOYSA-N 0 0 335.432 4.991 50 0 EJAARN Cc1cc(C)c(NC(=O)CN2CCc3sccc3[C@@H]2C)c(Cl)c1 ZINC000012760651 564067553 /nfs/dbraw/zinc/06/75/53/564067553.db2.gz IUFJUWFACKTZTK-ZDUSSCGKSA-N 0 0 348.899 4.576 50 0 EJAARN Cc1nc(C(=O)Nc2cccc(CO[C@@H]3CCC[C@H](C)C3)c2)cs1 ZINC000084271995 564067626 /nfs/dbraw/zinc/06/76/26/564067626.db2.gz UNAYUGMZJJQLJR-SUMWQHHRSA-N 0 0 344.480 4.799 50 0 EJAARN Cc1nc(C(=O)Nc2cccc(CO[C@@H]3CCC[C@@H](C)C3)c2)cs1 ZINC000084272005 564067633 /nfs/dbraw/zinc/06/76/33/564067633.db2.gz UNAYUGMZJJQLJR-CXAGYDPISA-N 0 0 344.480 4.799 50 0 EJAARN COc1ccc(-c2nc(CN(C)Cc3ccccc3Cl)co2)cc1 ZINC000012763794 564067868 /nfs/dbraw/zinc/06/78/68/564067868.db2.gz RUWOYNNYMNDEKB-UHFFFAOYSA-N 0 0 342.826 4.636 50 0 EJAARN COc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000015539359 564067904 /nfs/dbraw/zinc/06/79/04/564067904.db2.gz VGUCCPHVLHEVOR-CQTFCRGUSA-N 0 0 341.838 4.726 50 0 EJAARN O=C(Nc1ccc(F)cc1F)N[C@@H](c1cccs1)c1ccccc1 ZINC000012767928 564068299 /nfs/dbraw/zinc/06/82/99/564068299.db2.gz GABAPMQETJBDGD-QGZVFWFLSA-N 0 0 344.386 4.937 50 0 EJAARN CCc1nc(CN2CCc3sccc3[C@H]2c2ccccc2)cs1 ZINC000012768412 564068399 /nfs/dbraw/zinc/06/83/99/564068399.db2.gz PJNSFWPERYFAGA-LJQANCHMSA-N 0 0 340.517 4.915 50 0 EJAARN O=C(Nc1ccc(F)cc1F)N1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC000084525240 564068451 /nfs/dbraw/zinc/06/84/51/564068451.db2.gz LYCVMSUSPKJXLG-MGPUTAFESA-N 0 0 342.389 4.898 50 0 EJAARN O=C(Nc1ccc(F)cc1F)N1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC000084525239 564068458 /nfs/dbraw/zinc/06/84/58/564068458.db2.gz LYCVMSUSPKJXLG-YWZLYKJASA-N 0 0 342.389 4.898 50 0 EJAARN C[C@H](NC(=O)c1csc(-c2ccc(F)cc2)n1)c1ccc(F)cc1 ZINC000012771196 564068885 /nfs/dbraw/zinc/06/88/85/564068885.db2.gz CMEXYJODFYMACR-NSHDSACASA-N 0 0 344.386 4.579 50 0 EJAARN O=C(Cc1ccc2ccccc2c1)OCc1cc(F)cc2cccnc21 ZINC000084605851 564069034 /nfs/dbraw/zinc/06/90/34/564069034.db2.gz IIZIAVDAGQPNDO-UHFFFAOYSA-N 0 0 345.373 4.813 50 0 EJAARN C[C@@H](NC(=S)N[C@H]1CCc2c1cccc2Cl)c1ccccc1 ZINC000084656658 564069420 /nfs/dbraw/zinc/06/94/20/564069420.db2.gz MAXCKAIDTGZYAL-PXAZEXFGSA-N 0 0 330.884 4.553 50 0 EJAARN CO[C@@H](C)c1cccc(NC(=O)N([C@@H](C)c2ccco2)C2CC2)c1 ZINC000084656146 564069447 /nfs/dbraw/zinc/06/94/47/564069447.db2.gz OPQVVJGNOQXUGM-KBPBESRZSA-N 0 0 328.412 4.745 50 0 EJAARN CC[C@H](C(=O)Nc1cccc(-c2nccs2)c1)c1c(C)noc1C ZINC000084733920 564069859 /nfs/dbraw/zinc/06/98/59/564069859.db2.gz XMBGSEVYCMLGIR-HNNXBMFYSA-N 0 0 341.436 4.547 50 0 EJAARN CCOC(=O)Nc1cccc(NC(=O)N(C)CC2CCCCC2)c1C ZINC000084794445 564070249 /nfs/dbraw/zinc/07/02/49/564070249.db2.gz BQWPMDKIWIMHQZ-UHFFFAOYSA-N 0 0 347.459 4.607 50 0 EJAARN CCn1c(S[C@@H](C)c2ccccc2)nnc1-c1ccccc1OC ZINC000012785580 564070254 /nfs/dbraw/zinc/07/02/54/564070254.db2.gz CUICWUBQMJNUQG-AWEZNQCLSA-N 0 0 339.464 4.827 50 0 EJAARN O=C(/C=C/c1ccccc1)Nc1ccc(Br)cc1Cl ZINC000006260079 564070750 /nfs/dbraw/zinc/07/07/50/564070750.db2.gz IYUYUJZWVQHSGC-RMKNXTFCSA-N 0 0 336.616 4.754 50 0 EJAARN Cc1cnc(CN[C@@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)o1 ZINC000184954466 564070826 /nfs/dbraw/zinc/07/08/26/564070826.db2.gz QANQDPGWTDICNN-NSHDSACASA-N 0 0 347.871 4.919 50 0 EJAARN O=C(CCc1ccsc1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000012792061 564070857 /nfs/dbraw/zinc/07/08/57/564070857.db2.gz SWRVZXOVGOCLLN-UHFFFAOYSA-N 0 0 343.448 4.751 50 0 EJAARN CC[C@@H](C)[C@@H](C(=O)Nc1cc(OC)c(OC)cc1C)c1ccccc1 ZINC000012808879 564072579 /nfs/dbraw/zinc/07/25/79/564072579.db2.gz QMHROLAQNAHCLC-JLTOFOAXSA-N 0 0 341.451 4.781 50 0 EJAARN Cc1ccc(NC(=O)c2noc3c2CCc2sccc2-3)cc1Cl ZINC000015733314 564072742 /nfs/dbraw/zinc/07/27/42/564072742.db2.gz AYASHPITYKEJMY-UHFFFAOYSA-N 0 0 344.823 4.716 50 0 EJAARN CC[C@H](C(=O)Nc1cccc(-c2cnc3n2CCC3)c1)c1ccccc1 ZINC000085471565 564073462 /nfs/dbraw/zinc/07/34/62/564073462.db2.gz URTJCVJWCYDCMB-IBGZPJMESA-N 0 0 345.446 4.629 50 0 EJAARN Cc1ccc(C2=Nn3c(nnc3C3CCCCC3)S[C@H]2C)cc1C ZINC000006087149 564073744 /nfs/dbraw/zinc/07/37/44/564073744.db2.gz JNPMTINLOSIPQX-AWEZNQCLSA-N 0 0 340.496 4.689 50 0 EJAARN Cc1ccc(-c2nc(C(=O)NC3CC3)cc3c4ccccc4[nH]c32)cc1 ZINC000006087993 564073787 /nfs/dbraw/zinc/07/37/87/564073787.db2.gz FEVZGMXDFPQCGX-UHFFFAOYSA-N 0 0 341.414 4.584 50 0 biogenic EJAARN Cc1ccc(NC(=S)Nc2cc(-c3ccccc3)[nH]n2)cc1Cl ZINC000013543682 564074299 /nfs/dbraw/zinc/07/42/99/564074299.db2.gz JWJDJPZLPIOLEG-UHFFFAOYSA-N 0 0 342.855 4.847 50 0 EJAARN c1csc(-c2nc(CSc3ncnc4sccc43)co2)c1 ZINC000006115369 564074406 /nfs/dbraw/zinc/07/44/06/564074406.db2.gz TVHMVXJQOKHZJR-UHFFFAOYSA-N 0 0 331.447 4.700 50 0 EJAARN Cc1cc(C(=O)CSc2ncnc3sccc32)c(C)n1C(C)C ZINC000006115340 564074415 /nfs/dbraw/zinc/07/44/15/564074415.db2.gz FCNGFVXLMWCXRF-UHFFFAOYSA-N 0 0 345.493 4.666 50 0 EJAARN Cc1ccc(-c2nc(C(=O)Nc3cccc4ncccc43)cs2)cc1 ZINC000012821303 564074543 /nfs/dbraw/zinc/07/45/43/564074543.db2.gz YPHJXJVWVBHPIZ-UHFFFAOYSA-N 0 0 345.427 4.919 50 0 EJAARN Cc1ccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1 ZINC000001505483 564074734 /nfs/dbraw/zinc/07/47/34/564074734.db2.gz AXAKRKDQHYIGTG-UHFFFAOYSA-N 0 0 330.359 4.649 50 0 EJAARN C[C@@H](NC(=O)[C@@H]1Cc2ccccc2O1)c1ccc(-c2ccccc2)cc1 ZINC000012848021 564075257 /nfs/dbraw/zinc/07/52/57/564075257.db2.gz JXZGSIXBZBIRSQ-ZHRRBRCNSA-N 0 0 343.426 4.535 50 0 EJAARN Cc1noc(C)c1CCC(=O)Nc1ccc2oc3ccccc3c2c1 ZINC000012852792 564075416 /nfs/dbraw/zinc/07/54/16/564075416.db2.gz RJAIEVZUBMTFLZ-UHFFFAOYSA-N 0 0 334.375 4.762 50 0 EJAARN C[C@H](Nc1ccc(NC(=O)CC2CCOCC2)cc1)c1ccccc1 ZINC000117248347 564075690 /nfs/dbraw/zinc/07/56/90/564075690.db2.gz WSLFCRKNSBTPCV-INIZCTEOSA-N 0 0 338.451 4.615 50 0 EJAARN CCOc1cc(C(=O)Nc2ccc(C)cc2)nc2ccc(Cl)cc21 ZINC000015829198 564075753 /nfs/dbraw/zinc/07/57/53/564075753.db2.gz WVHJZRHNUMSDED-UHFFFAOYSA-N 0 0 340.810 4.848 50 0 EJAARN CCOC(=O)c1cc(Nc2ccccc2)c2cc(Cl)ccc2n1 ZINC000015829185 564075763 /nfs/dbraw/zinc/07/57/63/564075763.db2.gz QPGVFQDTLBWINL-UHFFFAOYSA-N 0 0 326.783 4.809 50 0 EJAARN CCc1c2cc(F)ccc2oc1C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000012866767 564075869 /nfs/dbraw/zinc/07/58/69/564075869.db2.gz QJQBHEYQJNQBKB-UHFFFAOYSA-N 0 0 327.355 4.513 50 0 EJAARN COc1ccc(C)cc1NC(=O)Oc1cccc(Cl)c1Cl ZINC000000397840 564075921 /nfs/dbraw/zinc/07/59/21/564075921.db2.gz BAVQQQQYFJVASG-UHFFFAOYSA-N 0 0 326.179 4.921 50 0 EJAARN CC1(C)C[C@@]2(C)CCC(=O)[C@@]23[C@@H]1CC[C@@H]3CCCC1(C)OCCO1 ZINC000071786437 564076313 /nfs/dbraw/zinc/07/63/13/564076313.db2.gz NTWYFVKRZLBGAR-VXIWKAIFSA-N 0 0 334.500 4.731 50 0 EJAARN CC1C(=O)C2=CCC=C[C@@H]2[C@@](O)(c2ccccc2)[C@H]1c1ccccc1 ZINC000253590521 564076559 /nfs/dbraw/zinc/07/65/59/564076559.db2.gz ZCHJZBGEFBTBLF-SRUXOGRHSA-N 0 0 330.427 4.862 50 0 EJAARN CC1C(=O)C2=CCC=C[C@@H]2[C@](O)(c2ccccc2)[C@H]1c1ccccc1 ZINC000253590518 564076560 /nfs/dbraw/zinc/07/65/60/564076560.db2.gz ZCHJZBGEFBTBLF-ADYITMSISA-N 0 0 330.427 4.862 50 0 EJAARN Cc1nc(-c2cccs2)c(CC(=O)Nc2ccccc2C)s1 ZINC000015840130 564076619 /nfs/dbraw/zinc/07/66/19/564076619.db2.gz CGBPPJMTHTUHOA-UHFFFAOYSA-N 0 0 328.462 4.670 50 0 EJAARN Cc1ccccc1-c1nnc(S[C@@H](C)c2ccc(F)cc2)n1C ZINC000006148287 564076798 /nfs/dbraw/zinc/07/67/98/564076798.db2.gz XXVFTOBSDUOETF-ZDUSSCGKSA-N 0 0 327.428 4.783 50 0 EJAARN COc1ccc(-c2cc(Nc3ccccc3Cl)nc(C)n2)cc1 ZINC000015859149 564076843 /nfs/dbraw/zinc/07/68/43/564076843.db2.gz WGXCKVZRAXBEKS-UHFFFAOYSA-N 0 0 325.799 4.858 50 0 EJAARN COc1cc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)ccc1C ZINC000012892263 564077590 /nfs/dbraw/zinc/07/75/90/564077590.db2.gz JBOZAMZEYJAHGI-SFHVURJKSA-N 0 0 329.827 4.538 50 0 EJAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1cccc(Cl)c1C ZINC000012894752 564077620 /nfs/dbraw/zinc/07/76/20/564077620.db2.gz GMNPMXMYBYVBJJ-UHFFFAOYSA-N 0 0 343.839 4.728 50 0 EJAARN O=C(Nc1ccc(F)cc1Cl)c1csc(-c2cccs2)n1 ZINC000012895743 564077622 /nfs/dbraw/zinc/07/76/22/564077622.db2.gz RPENHSDAQOMFHI-UHFFFAOYSA-N 0 0 338.816 4.916 50 0 EJAARN CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000248382730 564077709 /nfs/dbraw/zinc/07/77/09/564077709.db2.gz XXSFRYVGIQYVIQ-LWKJTACWSA-N 0 0 330.512 4.761 50 0 EJAARN COc1ccc([C@H](NC(=O)CSc2ccccc2C)C(C)C)cc1 ZINC000012904344 564077763 /nfs/dbraw/zinc/07/77/63/564077763.db2.gz FCVDWFBYSIUYRL-HXUWFJFHSA-N 0 0 343.492 4.609 50 0 EJAARN Clc1ccc(-c2nc(CSc3ncccc3Cl)no2)cc1 ZINC000012907059 564077881 /nfs/dbraw/zinc/07/78/81/564077881.db2.gz OVUNYQMBYGSKNI-UHFFFAOYSA-N 0 0 338.219 4.731 50 0 EJAARN Cc1cccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c1 ZINC000012912887 564077948 /nfs/dbraw/zinc/07/79/48/564077948.db2.gz ODSKVVZEQMAGLA-INIZCTEOSA-N 0 0 336.460 4.625 50 0 EJAARN Cc1ccc(NC(=O)N2CC=C(c3ccc(O)cc3)CC2)cc1Cl ZINC000012913881 564078006 /nfs/dbraw/zinc/07/80/06/564078006.db2.gz NVJCVDAFOJUWCO-UHFFFAOYSA-N 0 0 342.826 4.675 50 0 EJAARN C[C@H](NC(=O)Cc1ccc2ccccc2c1)c1ccc(F)c(F)c1 ZINC000012923963 564078451 /nfs/dbraw/zinc/07/84/51/564078451.db2.gz 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/nfs/dbraw/zinc/08/03/23/564080323.db2.gz XCKGTAZGUXTWQB-VAWYXSNFSA-N 0 0 337.350 4.541 50 0 EJAARN CCOc1ccc(NC(=O)N(CC)[C@@H](CC)c2ccncc2)c(C)c1 ZINC000075144126 564080657 /nfs/dbraw/zinc/08/06/57/564080657.db2.gz HAMKBTFRQZNSGQ-IBGZPJMESA-N 0 0 341.455 4.794 50 0 EJAARN Cc1ccc([C@H](OCCNC(=O)c2ccccc2)c2ccccc2)cc1 ZINC000075249912 564081175 /nfs/dbraw/zinc/08/11/75/564081175.db2.gz USDVQPIEEGGQET-JOCHJYFZSA-N 0 0 345.442 4.531 50 0 EJAARN Cc1ccc([C@@H](OCCNC(=O)c2ccccc2)c2ccccc2)cc1 ZINC000075249915 564081184 /nfs/dbraw/zinc/08/11/84/564081184.db2.gz USDVQPIEEGGQET-QFIPXVFZSA-N 0 0 345.442 4.531 50 0 EJAARN Cc1cccc(C(=O)Nc2ccc(C(=O)N(C(C)C)C(C)C)cc2)c1 ZINC000075278590 564081430 /nfs/dbraw/zinc/08/14/30/564081430.db2.gz COIFZZSLJAONTI-UHFFFAOYSA-N 0 0 338.451 4.506 50 0 EJAARN Cc1cc(Nc2ccccc2)c2c(N)c(Br)cc(C)c2n1 ZINC000075283632 564081451 /nfs/dbraw/zinc/08/14/51/564081451.db2.gz WSURUMPLXCXWTM-UHFFFAOYSA-N 0 0 342.240 4.940 50 0 EJAARN O=C(/C=C/c1cccs1)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000016298600 564081763 /nfs/dbraw/zinc/08/17/63/564081763.db2.gz ANJFYPNRUAGZOO-YVARQFDVSA-N 0 0 335.881 4.768 50 0 EJAARN CCOC(=O)Nc1nc2cc(C=Cc3cccc(Cl)c3)ccc2[nH]1 ZINC000000404593 564082618 /nfs/dbraw/zinc/08/26/18/564082618.db2.gz PBSIJIRWVRFYCN-VOTSOKGWSA-N 0 0 341.798 4.955 50 0 EJAARN O=C1CCN(C=C(c2ccccc2)c2ccccc2)N1c1ccccc1 ZINC000000398525 564082636 /nfs/dbraw/zinc/08/26/36/564082636.db2.gz JUSJNKHWDVEKIQ-UHFFFAOYSA-N 0 0 340.426 4.730 50 0 EJAARN CCOc1c(Cl)cc(C(=O)Nc2cc(C)ccc2C)cc1OC ZINC000006207079 564082962 /nfs/dbraw/zinc/08/29/62/564082962.db2.gz UARMIVKWIREMMY-UHFFFAOYSA-N 0 0 333.815 4.616 50 0 EJAARN Cc1ccc(C)c(-c2csc(NC(=O)Cc3ccsc3)n2)c1 ZINC000006237588 564083166 /nfs/dbraw/zinc/08/31/66/564083166.db2.gz ZZKPPYMURKSCMW-UHFFFAOYSA-N 0 0 328.462 4.670 50 0 EJAARN O=C(Cc1cccs1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000006258354 564083321 /nfs/dbraw/zinc/08/33/21/564083321.db2.gz HGHCWVPIPPOHHL-UHFFFAOYSA-N 0 0 334.853 4.706 50 0 EJAARN O=C(Cc1ccsc1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000006258374 564083329 /nfs/dbraw/zinc/08/33/29/564083329.db2.gz YCVTVFKWVDOZNU-UHFFFAOYSA-N 0 0 334.853 4.706 50 0 EJAARN O=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1ccncc1)C1CC1 ZINC000006269033 564083394 /nfs/dbraw/zinc/08/33/94/564083394.db2.gz JIPZFVQAIOLGCG-UHFFFAOYSA-N 0 0 336.222 4.585 50 0 EJAARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(Cl)cc1F ZINC000006270765 564083444 /nfs/dbraw/zinc/08/34/44/564083444.db2.gz KUWXEMIOHUZECU-JTQLQIEISA-N 0 0 342.197 4.847 50 0 EJAARN C[C@H](Cc1csc2ccccc12)NC(=O)/C=C/c1cccs1 ZINC000575621538 564083952 /nfs/dbraw/zinc/08/39/52/564083952.db2.gz PLVMEJQNTZXLRK-MMQHEFTJSA-N 0 0 327.474 4.723 50 0 EJAARN Cc1ccc(-c2ncc(C(=O)Nc3cc(C)cc(C)c3)c(C)n2)cc1 ZINC000075437168 564084740 /nfs/dbraw/zinc/08/47/40/564084740.db2.gz BNNOQTOOSSLSGD-UHFFFAOYSA-N 0 0 331.419 4.630 50 0 EJAARN O=C(/C=C/c1ccsc1)N(Cc1ccoc1)Cc1cccs1 ZINC000090612176 564085065 /nfs/dbraw/zinc/08/50/65/564085065.db2.gz DLSYACWCSCWCQO-ONEGZZNKSA-N 0 0 329.446 4.645 50 0 EJAARN O=C(OCc1cc(-c2cccs2)on1)c1sccc1C1CC1 ZINC000064124172 564085133 /nfs/dbraw/zinc/08/51/33/564085133.db2.gz JOOVCKCLLHZNIX-UHFFFAOYSA-N 0 0 331.418 4.699 50 0 EJAARN O=C(CSC(c1ccccc1)c1ccccc1)NCc1ccccc1 ZINC000006337287 564085229 /nfs/dbraw/zinc/08/52/29/564085229.db2.gz NTBZSEAYCMGNAD-UHFFFAOYSA-N 0 0 347.483 4.826 50 0 EJAARN Cc1c(O)ccc2c(CSc3ccccc3Cl)cc(=O)oc12 ZINC000006351678 564085268 /nfs/dbraw/zinc/08/52/68/564085268.db2.gz CYJSYDVOMCDGIU-UHFFFAOYSA-N 0 0 332.808 4.753 50 0 EJAARN CC(NC1CCCCCCC1)=C1N=C(c2ccc(Cl)cc2)OC1=O ZINC000006360614 564085313 /nfs/dbraw/zinc/08/53/13/564085313.db2.gz QRAULUXWFRAXIH-LGMDPLHJSA-N 0 0 346.858 4.577 50 0 EJAARN Cc1cc(C)c(NC(=O)/C=C2\NC(C)(C)Cc3ccccc32)c(C)c1 ZINC000018038419 564085654 /nfs/dbraw/zinc/08/56/54/564085654.db2.gz KNLKHGWGUYUDAK-UNOMPAQXSA-N 0 0 334.463 4.516 50 0 EJAARN Cc1ccc(NC(=O)CCc2ccc3[nH]c(C(C)C)nc3c2)cc1C ZINC000075465744 564086067 /nfs/dbraw/zinc/08/60/67/564086067.db2.gz GKBRLUMRIIOJCP-UHFFFAOYSA-N 0 0 335.451 4.874 50 0 EJAARN Brc1ccc2[nH]c3ccc(Br)cc3c2c1 ZINC000000120197 564086094 /nfs/dbraw/zinc/08/60/94/564086094.db2.gz FIHILUSWISKVSR-UHFFFAOYSA-N 0 0 325.003 4.846 50 0 EJAARN O=C(Nc1nc(-c2cccnc2)cs1)c1ccc2ccccc2c1 ZINC000006423395 564086095 /nfs/dbraw/zinc/08/60/95/564086095.db2.gz OUUCCXQYFRWQME-UHFFFAOYSA-N 0 0 331.400 4.611 50 0 EJAARN CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H]1CC=CCC1 ZINC000013013168 564086715 /nfs/dbraw/zinc/08/67/15/564086715.db2.gz KRSXWCUVPLXNRH-NRFANRHFSA-N 0 0 349.474 4.970 50 0 EJAARN O=C(NCc1ccccc1Cl)c1ccc(C2SCCS2)cc1 ZINC000006432992 564086801 /nfs/dbraw/zinc/08/68/01/564086801.db2.gz NSDIKRAVWAZBGO-UHFFFAOYSA-N 0 0 349.908 4.749 50 0 EJAARN Cc1nc(-c2ccc(F)cc2)c(CC(=O)N[C@H](C)CCC(C)C)s1 ZINC000013017042 564086847 /nfs/dbraw/zinc/08/68/47/564086847.db2.gz KTEKTKCRHCIIKL-CYBMUJFWSA-N 0 0 348.487 4.741 50 0 EJAARN CC[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1)c1c(C)noc1C ZINC000090886535 564086928 /nfs/dbraw/zinc/08/69/28/564086928.db2.gz DAVNJCKUTULPKH-ORAYPTAESA-N 0 0 338.455 4.587 50 0 EJAARN CN(Cc1ccccc1)c1nc(-c2ccccc2)nc2ccccc21 ZINC000001745079 564086994 /nfs/dbraw/zinc/08/69/94/564086994.db2.gz YRVAXFVRKQDRHK-UHFFFAOYSA-N 0 0 325.415 4.933 50 0 EJAARN O=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 ZINC000001781457 564087563 /nfs/dbraw/zinc/08/75/63/564087563.db2.gz LQQKFMQBKAGDMX-GDNBJRDFSA-N 0 0 329.808 4.577 50 0 EJAARN CCc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)OC)c2c1 ZINC000006451056 564087763 /nfs/dbraw/zinc/08/77/63/564087763.db2.gz YTQYEMJPBUNHPA-UHFFFAOYSA-N 0 0 325.795 4.904 50 0 EJAARN CCCCC[C@@H]1CC[C@H](c2ccc(-c3ccc(CC)cn3)cc2)C[C@H]1C ZINC000239231171 564088018 /nfs/dbraw/zinc/08/80/18/564088018.db2.gz VBMOEUZKBIQGME-ZYKOEDHHSA-N 0 0 349.562 7.411 50 0 EJAARN Cc1[nH]nc(NC(=O)C[C@@H](C)c2ccccc2)c1-c1ccc(F)cc1 ZINC000075544596 564088611 /nfs/dbraw/zinc/08/86/11/564088611.db2.gz HNOFSNKYMMRMAI-CYBMUJFWSA-N 0 0 337.398 4.657 50 0 EJAARN O=C(Nc1ccccc1)N(C1=NCCC1)c1ccc(OC(F)F)cc1 ZINC000001811969 564088701 /nfs/dbraw/zinc/08/87/01/564088701.db2.gz GUPWJUFLTCKZTG-UHFFFAOYSA-N 0 0 345.349 4.519 50 0 EJAARN CC(C)(C)OC(=O)Nc1cccc(C(=O)N(C2CC2)C2CCCC2)c1 ZINC000075633502 564090016 /nfs/dbraw/zinc/09/00/16/564090016.db2.gz KFIBITPJKIKJBV-UHFFFAOYSA-N 0 0 344.455 4.581 50 0 EJAARN FC(F)(F)c1ccc(N=NCc2cccc(C(F)(F)F)c2)nc1 ZINC000252452504 564090084 /nfs/dbraw/zinc/09/00/84/564090084.db2.gz MIXAVXMXPYYZQP-UHFFFAOYSA-N 0 0 333.235 4.565 50 0 EJAARN Cc1nc2sc(-c3ccccc3)cc2c(N=NC(C)c2ccc[nH]2)n1 ZINC000252474635 564090189 /nfs/dbraw/zinc/09/01/89/564090189.db2.gz IQSJGPQOGXKLLP-UHFFFAOYSA-N 0 0 347.447 4.831 50 0 EJAARN O=c1c2c3c(sc2ncn1Cc1cccc2ccccc21)CCCC3 ZINC000001971287 564090370 /nfs/dbraw/zinc/09/03/70/564090370.db2.gz ZFENEENVDKQHSD-UHFFFAOYSA-N 0 0 346.455 4.538 50 0 EJAARN CCN(CC)C(=O)C[C@H](c1ccccc1)c1ccc(OC(C)C)cc1 ZINC000000487475 564090524 /nfs/dbraw/zinc/09/05/24/564090524.db2.gz PWCHJIKFPJKPKD-OAQYLSRUSA-N 0 0 339.479 4.864 50 0 biogenic EJAARN CCc1c(C)c2ccc(OCc3ccc(OC)cc3)c(C)c2oc1=O ZINC000000488960 564090579 /nfs/dbraw/zinc/09/05/79/564090579.db2.gz UQDWOGHNUCBSAY-UHFFFAOYSA-N 0 0 338.403 4.560 50 0 biogenic EJAARN Cc1sc(NC(=O)c2cc(F)cc(F)c2)nc1-c1ccccc1 ZINC000006510468 564091275 /nfs/dbraw/zinc/09/12/75/564091275.db2.gz LXQZXAGONCGATM-UHFFFAOYSA-N 0 0 330.359 4.649 50 0 EJAARN CCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1cccc(C)c1C ZINC000064438959 564091318 /nfs/dbraw/zinc/09/13/18/564091318.db2.gz RFGVOFYCBNVJAA-UHFFFAOYSA-N 0 0 349.434 4.514 50 0 EJAARN Clc1ccc(Oc2nc3ccccc3nc2N2CCCC2)cc1 ZINC000064438534 564091329 /nfs/dbraw/zinc/09/13/29/564091329.db2.gz CHULJOMYZBAHSZ-UHFFFAOYSA-N 0 0 325.799 4.676 50 0 EJAARN O=C(Nc1cccc(Cl)c1)N(Cc1ccco1)Cc1ccco1 ZINC000006526411 564091456 /nfs/dbraw/zinc/09/14/56/564091456.db2.gz QACZVVJMNGJMNJ-UHFFFAOYSA-N 0 0 330.771 4.760 50 0 EJAARN O=C(Nc1ccc(Cl)cc1)N(Cc1ccco1)Cc1ccco1 ZINC000006526995 564091440 /nfs/dbraw/zinc/09/14/40/564091440.db2.gz WLQFUKHXIGLLSV-UHFFFAOYSA-N 0 0 330.771 4.760 50 0 EJAARN COc1cccc(-n2c(=S)[n-]nc2[C@H]2C[C@H]2c2ccc(C)cc2)c1 ZINC000006533830 564091666 /nfs/dbraw/zinc/09/16/66/564091666.db2.gz RZLCWCPSHYSWNR-IRXDYDNUSA-N 0 0 337.448 4.518 50 0 EJAARN CCCCOc1ccc(/C=C2\N=C(c3cccc(C)c3)OC2=O)cc1 ZINC000002024765 564091946 /nfs/dbraw/zinc/09/19/46/564091946.db2.gz JGEBZGWGATXPCZ-RGEXLXHISA-N 0 0 335.403 4.518 50 0 EJAARN O=C(N[C@H]1CCSc2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC000006558994 564092082 /nfs/dbraw/zinc/09/20/82/564092082.db2.gz QOLXNKOVPILQIX-AWEZNQCLSA-N 0 0 337.366 4.672 50 0 EJAARN CCc1ccc2nc(NC(=O)C3C4CC5CC(C4)CC3C5)sc2c1 ZINC000006561619 564092120 /nfs/dbraw/zinc/09/21/20/564092120.db2.gz WNTHTWWIAYSOPU-UHFFFAOYSA-N 0 0 340.492 4.870 50 0 EJAARN CCCc1cc(C2N=NC(=S)N2c2cc(C)cc(C)c2)cs1 ZINC000006569882 564092152 /nfs/dbraw/zinc/09/21/52/564092152.db2.gz NYUBEUDCPSQLRT-UHFFFAOYSA-N 0 0 329.494 4.854 50 0 EJAARN Cc1cccc(C)c1NC(=O)CSC1=Nc2ccccc2CS1 ZINC000006588100 564092369 /nfs/dbraw/zinc/09/23/69/564092369.db2.gz DXKHDCSUSQOBBU-UHFFFAOYSA-N 0 0 342.489 4.910 50 0 EJAARN CSc1nnc(-c2cc(-c3ccc(C)cc3)nc3ccccc32)n1C ZINC000006602171 564092689 /nfs/dbraw/zinc/09/26/89/564092689.db2.gz QTNQPFVSZAHGQW-UHFFFAOYSA-N 0 0 346.459 4.728 50 0 EJAARN Cc1nc(C(F)(F)F)ccc1C(=O)N(C)C1CCCCCCC1 ZINC000089536865 564092730 /nfs/dbraw/zinc/09/27/30/564092730.db2.gz AUVVEJQOJVAPGS-UHFFFAOYSA-N 0 0 328.378 4.594 50 0 EJAARN CC[C@H](C(=O)NCCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000006606744 564093156 /nfs/dbraw/zinc/09/31/56/564093156.db2.gz KUDDLMLNVQLMGY-INIZCTEOSA-N 0 0 336.262 4.846 50 0 EJAARN Cc1ccc(-c2nnc(S[C@H](C)C(=O)c3ccccc3)o2)cc1C ZINC000006609383 564093260 /nfs/dbraw/zinc/09/32/60/564093260.db2.gz GQECLTWTERAVQU-CQSZACIVSA-N 0 0 338.432 4.717 50 0 EJAARN COCCC[C@@H]1CCCN(C(=O)c2ccc(-c3ccsc3)cc2)C1 ZINC000426728227 564094442 /nfs/dbraw/zinc/09/44/42/564094442.db2.gz HMTHJSPVNFKROR-INIZCTEOSA-N 0 0 343.492 4.694 50 0 EJAARN Cc1c2ccc3ccccc3c2oc1C(=O)NCc1ccc(F)cc1 ZINC000006610413 564094483 /nfs/dbraw/zinc/09/44/83/564094483.db2.gz UBXOIGBDINNNHO-UHFFFAOYSA-N 0 0 333.362 4.964 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/nfs/dbraw/zinc/10/16/60/564101660.db2.gz UHSPBEXXVDNUDD-UHFFFAOYSA-N 0 0 347.462 4.814 50 0 EJAARN CCc1nc2cc(-c3noc(C4(c5ccccc5)CC4)n3)ccc2o1 ZINC000065149747 564101792 /nfs/dbraw/zinc/10/17/92/564101792.db2.gz WRRXUCZUVNBPOJ-UHFFFAOYSA-N 0 0 331.375 4.520 50 0 EJAARN c1ccc(-c2nc3cc(-c4noc(-c5ccccn5)n4)ccc3o2)cc1 ZINC000065149824 564101818 /nfs/dbraw/zinc/10/18/18/564101818.db2.gz ORJUPAADBJCTFC-UHFFFAOYSA-N 0 0 340.342 4.607 50 0 EJAARN CSc1ncc(C(=O)Nc2ccc(C)cc2C)c(-c2ccccc2)n1 ZINC000006938148 564101856 /nfs/dbraw/zinc/10/18/56/564101856.db2.gz XLOKHEOJCHHUIK-UHFFFAOYSA-N 0 0 349.459 4.735 50 0 EJAARN Cc1nn(-c2ccccc2)c(C)c1CNCc1ccc(F)cc1Cl ZINC000065154891 564102074 /nfs/dbraw/zinc/10/20/74/564102074.db2.gz NHXVKUGXMYYPEK-UHFFFAOYSA-N 0 0 343.833 4.571 50 0 EJAARN COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H](C)Oc1cccc(C)c1 ZINC000006947559 564102134 /nfs/dbraw/zinc/10/21/34/564102134.db2.gz LUXBFPRVIFWKSH-OAHLLOKOSA-N 0 0 341.451 4.707 50 0 EJAARN O=C(c1ccccc1Cl)N1CCC(CCOc2ccccc2)CC1 ZINC000065180592 564102356 /nfs/dbraw/zinc/10/23/56/564102356.db2.gz BMXLXKVEOQLTDJ-UHFFFAOYSA-N 0 0 343.854 4.661 50 0 EJAARN Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2NC(=O)C1CCCC1 ZINC000006970806 564102567 /nfs/dbraw/zinc/10/25/67/564102567.db2.gz YQKCDSSVMZDQLB-UHFFFAOYSA-N 0 0 337.398 4.578 50 0 EJAARN CCSc1ccc(-c2cccc(NC(=O)c3ccccc3C)c2)nn1 ZINC000065185939 564102591 /nfs/dbraw/zinc/10/25/91/564102591.db2.gz HUTQVZBMXUGCLH-UHFFFAOYSA-N 0 0 349.459 4.816 50 0 EJAARN CCOc1ccc(NC(=O)CCc2cccc3c2ccn3CC)cc1 ZINC000065210238 564102689 /nfs/dbraw/zinc/10/26/89/564102689.db2.gz LZBQRBNWZCIDCT-UHFFFAOYSA-N 0 0 336.435 4.631 50 0 EJAARN Cc1cccc(-c2noc(-c3sccc3NC(=O)C3CCC3)n2)c1 ZINC000065219237 564102905 /nfs/dbraw/zinc/10/29/05/564102905.db2.gz VRQYOQMMUQMMIP-UHFFFAOYSA-N 0 0 339.420 4.512 50 0 EJAARN c1c(CSc2ccc3c(c2)OCCCO3)noc1-c1ccccc1 ZINC000007021709 564103306 /nfs/dbraw/zinc/10/33/06/564103306.db2.gz QKKPIUGPOBRLTO-UHFFFAOYSA-N 0 0 339.416 4.795 50 0 EJAARN Cc1ccc([C@H](NC(=O)N2CCC[C@H]2c2cc(C)on2)C(C)(C)C)o1 ZINC000169986865 564104481 /nfs/dbraw/zinc/10/44/81/564104481.db2.gz UGVKFXFQQIKFEY-RDJZCZTQSA-N 0 0 345.443 4.518 50 0 EJAARN COc1ccc(-c2cccc3c2CCN(C(=O)C(C)(C)C)[C@@H]3C)cc1 ZINC000065293129 564104777 /nfs/dbraw/zinc/10/47/77/564104777.db2.gz ITAKMBJZJPZSSE-OAHLLOKOSA-N 0 0 337.463 4.854 50 0 EJAARN CCOc1ccc(Nc2c(-c3ccccc3)nc3cnccn32)cc1 ZINC000065323354 564105258 /nfs/dbraw/zinc/10/52/58/564105258.db2.gz LOKHLXHDGZORDL-UHFFFAOYSA-N 0 0 330.391 4.539 50 0 EJAARN COc1cccc(CSc2nnc(-c3cc(C)cc(C)c3)o2)c1 ZINC000007160014 564105500 /nfs/dbraw/zinc/10/55/00/564105500.db2.gz JLMVIRQKMVWTPP-UHFFFAOYSA-N 0 0 326.421 4.654 50 0 EJAARN c1csc(-c2noc(CSc3nc4ccccc4s3)n2)c1 ZINC000007164172 564105553 /nfs/dbraw/zinc/10/55/53/564105553.db2.gz KKLGOVVYNDFZTH-UHFFFAOYSA-N 0 0 331.447 4.700 50 0 EJAARN COc1ccc(Cl)cc1CSc1nnc(-c2ccoc2C)o1 ZINC000007166899 564105573 /nfs/dbraw/zinc/10/55/73/564105573.db2.gz XTXJWWCEDJOXMX-UHFFFAOYSA-N 0 0 336.800 4.592 50 0 EJAARN O=C(CSc1nnc(-c2ccccc2F)o1)c1ccccc1Cl ZINC000007192027 564105670 /nfs/dbraw/zinc/10/56/70/564105670.db2.gz GVMFATUBRZLWKR-UHFFFAOYSA-N 0 0 348.786 4.504 50 0 EJAARN O=C(N[C@H]1CCOc2ccccc21)c1ccccc1Oc1ccccc1 ZINC000007214939 564105816 /nfs/dbraw/zinc/10/58/16/564105816.db2.gz QAXYAPHOHFCZEE-IBGZPJMESA-N 0 0 345.398 4.733 50 0 EJAARN Cc1ccc(N[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1C ZINC000007222962 564105904 /nfs/dbraw/zinc/10/59/04/564105904.db2.gz VZHJAOOBPVNIOH-ZDUSSCGKSA-N 0 0 336.357 4.761 50 0 EJAARN O=C(NCCc1ccccc1F)c1ccc(-c2ccccc2Cl)o1 ZINC000007241267 564105913 /nfs/dbraw/zinc/10/59/13/564105913.db2.gz ZYLNBSCSMDYHDZ-UHFFFAOYSA-N 0 0 343.785 4.712 50 0 EJAARN Cc1occc1-c1nnc(S[C@@H](C)c2ccccc2Cl)n1C ZINC000007236725 564105979 /nfs/dbraw/zinc/10/59/79/564105979.db2.gz FIIFDAKSLXBWGR-NSHDSACASA-N 0 0 333.844 4.890 50 0 EJAARN Brc1ccccc1-c1nc(SCc2ccccc2)n[nH]1 ZINC000007252200 564106020 /nfs/dbraw/zinc/10/60/20/564106020.db2.gz IAIHVLNJFSFUML-UHFFFAOYSA-N 0 0 346.253 4.527 50 0 EJAARN CCSc1ccccc1NC(=O)N(Cc1ccccn1)C(C)C ZINC000065565318 564107088 /nfs/dbraw/zinc/10/70/88/564107088.db2.gz XEOULKIYDNCVPL-UHFFFAOYSA-N 0 0 329.469 4.636 50 0 EJAARN COc1ccc(N(C(=O)c2ccc(F)cc2Cl)[C@H](C)C2CC2)cc1 ZINC000065565860 564107097 /nfs/dbraw/zinc/10/70/97/564107097.db2.gz QBIRFCGYSKPCOQ-GFCCVEGCSA-N 0 0 347.817 4.933 50 0 EJAARN Cc1ccccc1OCCCn1c2ccccc2nc1[C@@H]1CCCO1 ZINC000007343598 564107243 /nfs/dbraw/zinc/10/72/43/564107243.db2.gz WUNULBXOCFNKKH-FQEVSTJZSA-N 0 0 336.435 4.665 50 0 EJAARN O=C(Cn1cnc2ccccc21)Nc1ccc(C2CCCCC2)cc1 ZINC000007344409 564107292 /nfs/dbraw/zinc/10/72/92/564107292.db2.gz YMZBQBGPRDMJFP-UHFFFAOYSA-N 0 0 333.435 4.723 50 0 EJAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Nc2ccccc2C(C)C)c1C ZINC000007370217 564107567 /nfs/dbraw/zinc/10/75/67/564107567.db2.gz NDXSJYWYJMYOSF-AWEZNQCLSA-N 0 0 326.440 4.641 50 0 EJAARN C[C@@H](Nc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000007382640 564107596 /nfs/dbraw/zinc/10/75/96/564107596.db2.gz VKLISGCIRZOVJM-SECBINFHSA-N 0 0 327.186 4.572 50 0 EJAARN O=C(N[C@@H]1CCSc2ccccc21)C1CCC(n2cccc2)CC1 ZINC000065592722 564108007 /nfs/dbraw/zinc/10/80/07/564108007.db2.gz FVHQBNRHZUGVRT-LEOMRAHMSA-N 0 0 340.492 4.573 50 0 EJAARN C[C@@H](Sc1ccc2ccccc2c1)c1nc2ccccc2c(=O)[nH]1 ZINC000007487832 564108861 /nfs/dbraw/zinc/10/88/61/564108861.db2.gz KJFNHXYODURLJN-CYBMUJFWSA-N 0 0 332.428 4.930 50 0 EJAARN O=C(Nc1nc2ccc(Cl)cc2s1)c1cc2c(s1)CCC2 ZINC000007485928 564108864 /nfs/dbraw/zinc/10/88/64/564108864.db2.gz IDANDBBLLUZHQP-UHFFFAOYSA-N 0 0 334.853 4.752 50 0 EJAARN Cc1ccnc2[nH]c(CN(C)[C@H](C)c3ccc(Cl)cc3Cl)nc21 ZINC000170594536 564108966 /nfs/dbraw/zinc/10/89/66/564108966.db2.gz NRNRYNSGLRRMED-LLVKDONJSA-N 0 0 349.265 4.766 50 0 EJAARN Cc1cc2oc(=O)cc(CN3CCSc4ccccc43)c2cc1C ZINC000007493239 564109130 /nfs/dbraw/zinc/10/91/30/564109130.db2.gz TZFMCXUVANNFQF-UHFFFAOYSA-N 0 0 337.444 4.522 50 0 EJAARN C[C@@H](c1nnc(-c2ccccc2F)s1)N(C)Cc1ccc(F)cc1 ZINC000170599930 564109255 /nfs/dbraw/zinc/10/92/55/564109255.db2.gz LIWNQOBLTWPNOS-LBPRGKRZSA-N 0 0 345.418 4.676 50 0 EJAARN COc1cccc(C)c1NC(=O)c1[nH]c2ccc(F)cc2c1Cl ZINC000170614991 564109967 /nfs/dbraw/zinc/10/99/67/564109967.db2.gz BMUNKEWCIMXGFV-UHFFFAOYSA-N 0 0 332.762 4.530 50 0 EJAARN CC[C@H](O)c1nc2ccccc2n1CCCOc1cc(C)ccc1C ZINC000007548905 564110329 /nfs/dbraw/zinc/11/03/29/564110329.db2.gz UKCQDXJQKRLTPV-IBGZPJMESA-N 0 0 338.451 4.566 50 0 EJAARN Cc1cccc(OC(F)F)c1NC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000170623534 564110420 /nfs/dbraw/zinc/11/04/20/564110420.db2.gz HEROVLSUZRABDQ-DGCLKSJQSA-N 0 0 326.387 4.639 50 0 EJAARN O=C(Nc1ccc(Nc2ccccc2)nc1)C1(c2cccc(F)c2)CC1 ZINC000170627197 564110469 /nfs/dbraw/zinc/11/04/69/564110469.db2.gz GBKFZPDGOKOCAN-UHFFFAOYSA-N 0 0 347.393 4.635 50 0 EJAARN CCc1noc([C@@H](C)Nc2ccc3c(c2)c2ccccc2n3CC)n1 ZINC000170627036 564110574 /nfs/dbraw/zinc/11/05/74/564110574.db2.gz VGCCFZDLJFINGT-CYBMUJFWSA-N 0 0 334.423 4.933 50 0 EJAARN CSc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C(C)C)cc1 ZINC000071284692 564110890 /nfs/dbraw/zinc/11/08/90/564110890.db2.gz XUIKUPPABIETKU-AWEZNQCLSA-N 0 0 333.482 4.778 50 0 EJAARN CNc1nc2c(s1)[C@H](c1cccc(OC3CCCC3)c1)CC(=O)N2 ZINC000071282708 564110992 /nfs/dbraw/zinc/11/09/92/564110992.db2.gz LHGSRTDZCDAALS-AWEZNQCLSA-N 0 0 343.452 4.630 50 0 EJAARN Cc1ccc(NC(=O)NCc2ccc(Cl)cc2Cl)cc1F ZINC000013320150 564111431 /nfs/dbraw/zinc/11/14/31/564111431.db2.gz PODNXMNVSHVTLX-UHFFFAOYSA-N 0 0 327.186 4.763 50 0 EJAARN CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1C(C)C ZINC000013325857 564111529 /nfs/dbraw/zinc/11/15/29/564111529.db2.gz SGURBTLQSPYBAT-UHFFFAOYSA-N 0 0 329.391 4.733 50 0 EJAARN COc1ccccc1NC(=O)Nc1nc2cc(C)c(C)cc2s1 ZINC000013326539 564111552 /nfs/dbraw/zinc/11/15/52/564111552.db2.gz IIUOBMQRQQYBFV-UHFFFAOYSA-N 0 0 327.409 4.566 50 0 EJAARN CC[C@H](NC(=O)Nc1cc(C)ccc1OC)c1ccc(Cl)cc1 ZINC000013329021 564111557 /nfs/dbraw/zinc/11/15/57/564111557.db2.gz SUZOCIQHHVSJSP-HNNXBMFYSA-N 0 0 332.831 4.930 50 0 EJAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1NC(=O)Nc1cccc(C)c1 ZINC000013331372 564111626 /nfs/dbraw/zinc/11/16/26/564111626.db2.gz VKWDMKDQAOCRLU-UHFFFAOYSA-N 0 0 348.450 4.809 50 0 EJAARN CCc1ccc([C@H](C)NC(=O)Nc2ccccc2Br)cc1 ZINC000013746035 564111985 /nfs/dbraw/zinc/11/19/85/564111985.db2.gz ZBSNAAASKGKMGH-LBPRGKRZSA-N 0 0 347.256 4.894 50 0 EJAARN Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2Br)cc1C ZINC000013746029 564111987 /nfs/dbraw/zinc/11/19/87/564111987.db2.gz NUKKKUBDZMOCOH-CYBMUJFWSA-N 0 0 347.256 4.949 50 0 EJAARN CCc1ccc(NC(=S)N2c3ccc(F)cc3CC[C@H]2C)cc1 ZINC000013829554 564112112 /nfs/dbraw/zinc/11/21/12/564112112.db2.gz HNPGLULAIFBYCG-CYBMUJFWSA-N 0 0 328.456 4.926 50 0 EJAARN O=C(CSc1ccc(F)c(Cl)c1)Nc1cccc2ncccc21 ZINC000014075831 564112168 /nfs/dbraw/zinc/11/21/68/564112168.db2.gz IZEVXOZAEJZEGR-UHFFFAOYSA-N 0 0 346.814 4.758 50 0 EJAARN CC(=O)NCc1ccc(-c2nc(-c3cccc(F)c3)sc2C)s1 ZINC000014103252 564112170 /nfs/dbraw/zinc/11/21/70/564112170.db2.gz UOIRQTMQIRRHAZ-UHFFFAOYSA-N 0 0 346.452 4.622 50 0 EJAARN Cc1cccc(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)c1 ZINC000152501395 564112234 /nfs/dbraw/zinc/11/22/34/564112234.db2.gz BFRNLENVQMUDLA-UHFFFAOYSA-N 0 0 344.842 4.724 50 0 EJAARN Cc1cc2nc(N[C@H]3CCC[C@H](C(F)(F)F)C3)c3ccccc3n2n1 ZINC000089610780 564112703 /nfs/dbraw/zinc/11/27/03/564112703.db2.gz XUQDFFJVAWXULZ-STQMWFEESA-N 0 0 348.372 4.724 50 0 EJAARN CC(C)(C)c1nc(CN(Cc2ccsc2)c2ccccc2)no1 ZINC000089725272 564113388 /nfs/dbraw/zinc/11/33/88/564113388.db2.gz JCANKKISMRBHGN-UHFFFAOYSA-N 0 0 327.453 4.635 50 0 EJAARN O=C(Nc1cccc2ccccc21)N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000089873248 564114621 /nfs/dbraw/zinc/11/46/21/564114621.db2.gz XTBUUEGENNFEOS-KSSFIOAISA-N 0 0 338.357 4.796 50 0 EJAARN O=C(Nc1cccc2ccccc21)N[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000089873247 564114622 /nfs/dbraw/zinc/11/46/22/564114622.db2.gz XTBUUEGENNFEOS-KBXCAEBGSA-N 0 0 338.357 4.796 50 0 EJAARN CC(C)(C)c1csc([C@H]2CCCCN2C(=O)CCc2ccco2)n1 ZINC000076042957 564114766 /nfs/dbraw/zinc/11/47/66/564114766.db2.gz URFUENDGOVHOTP-OAHLLOKOSA-N 0 0 346.496 4.720 50 0 EJAARN CC(C)c1nn(C)cc1CNc1cccc(C2SCCS2)c1 ZINC000089891133 564114861 /nfs/dbraw/zinc/11/48/61/564114861.db2.gz CNLWIFLFKWWENH-UHFFFAOYSA-N 0 0 333.526 4.634 50 0 EJAARN CC(C)=C[C@H]1[C@H](C(=O)OCc2ncc(-c3ccccc3)o2)C1(C)C ZINC000089914110 564115217 /nfs/dbraw/zinc/11/52/17/564115217.db2.gz NGISNRZQKUCZRE-MAUKXSAKSA-N 0 0 325.408 4.623 50 0 EJAARN CC[C@@H](C)C(=O)Nc1nc(-c2ccccc2)c(Br)s1 ZINC000089942156 564115592 /nfs/dbraw/zinc/11/55/92/564115592.db2.gz VLHISMRYRBGUCI-SECBINFHSA-N 0 0 339.258 4.557 50 0 EJAARN Cc1ccc(-n2ncc3c2ncnc3Nc2cccc(Cl)c2)cc1C ZINC000017120463 564116503 /nfs/dbraw/zinc/11/65/03/564116503.db2.gz JIMJSSCKCHZCRJ-UHFFFAOYSA-N 0 0 349.825 4.829 50 0 EJAARN COc1cc(C)c2c(c1)oc(C(F)(F)F)c(-c1ccccc1)c2=O ZINC000000569876 564116784 /nfs/dbraw/zinc/11/67/84/564116784.db2.gz ITVGRRCYIXHBQP-UHFFFAOYSA-N 0 0 334.293 4.796 50 0 EJAARN Cc1ccc(OCCOc2c(Cl)cc(C=O)cc2Cl)cc1 ZINC000002873706 564117062 /nfs/dbraw/zinc/11/70/62/564117062.db2.gz FWJUVRWSYRYBTR-UHFFFAOYSA-N 0 0 325.191 4.572 50 0 EJAARN C[C@H](c1nnc(-c2cccs2)o1)N1CCC[C@H]1c1ccsc1 ZINC000252265773 564118316 /nfs/dbraw/zinc/11/83/16/564118316.db2.gz OLBBZAMRFQROGV-YPMHNXCESA-N 0 0 331.466 4.758 50 0 EJAARN CCCCc1ccc(N2COc3ccc4c(C)cc(=O)oc4c3C2)cc1 ZINC000002123672 564118424 /nfs/dbraw/zinc/11/84/24/564118424.db2.gz DKGNBPCCEAKIPS-UHFFFAOYSA-N 0 0 349.430 4.801 50 0 biogenic EJAARN O=C(Nc1ccccc1)OCCOc1ccc(Cl)cc1Cl ZINC000001698903 564118934 /nfs/dbraw/zinc/11/89/34/564118934.db2.gz VJLQHTWIMFFHJC-UHFFFAOYSA-N 0 0 326.179 4.621 50 0 EJAARN CCC(CC)[S@@](=O)Cc1ccc(OC)c(SC(F)(F)F)c1 ZINC000170643314 564119017 /nfs/dbraw/zinc/11/90/17/564119017.db2.gz ISNLDBVUDAFPSI-NRFANRHFSA-N 0 0 340.432 4.744 50 0 EJAARN CCC(CC)[S@](=O)Cc1ccc(OC)c(SC(F)(F)F)c1 ZINC000170643315 564119033 /nfs/dbraw/zinc/11/90/33/564119033.db2.gz ISNLDBVUDAFPSI-OAQYLSRUSA-N 0 0 340.432 4.744 50 0 EJAARN CCSCc1cccc(NC(=O)c2ccncc2C(F)(F)F)c1 ZINC000252479775 564119154 /nfs/dbraw/zinc/11/91/54/564119154.db2.gz BMSVZYRVLJGQPN-UHFFFAOYSA-N 0 0 340.370 4.606 50 0 EJAARN C[C@@H](Nc1ccc(NC(=O)[C@@H](C)c2ccccn2)cc1)c1ccccc1 ZINC000252481669 564119186 /nfs/dbraw/zinc/11/91/86/564119186.db2.gz CQFDISYUTQWOHM-DLBZAZTESA-N 0 0 345.446 4.997 50 0 EJAARN COc1ccc(C)c(NC(=O)N2CCc3c(cccc3C(C)C)C2)c1 ZINC000252484949 564119299 /nfs/dbraw/zinc/11/92/99/564119299.db2.gz GKXCOISOWNSRHQ-UHFFFAOYSA-N 0 0 338.451 4.717 50 0 EJAARN Cc1ccccc1CNc1ccccc1NC(=O)[C@H](C)c1ccccn1 ZINC000252489712 564119436 /nfs/dbraw/zinc/11/94/36/564119436.db2.gz JYAOVEFNAWDSRX-QGZVFWFLSA-N 0 0 345.446 4.744 50 0 EJAARN CC(C)Oc1ccc(NC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)cc1 ZINC000252494992 564119671 /nfs/dbraw/zinc/11/96/71/564119671.db2.gz OKCLNPNIHFIBMX-AWEZNQCLSA-N 0 0 344.377 4.669 50 0 EJAARN O=C([C@@H]1CCCC(F)(F)C1)N(Cc1cccnc1)c1ccc(F)cc1 ZINC000252502228 564119856 /nfs/dbraw/zinc/11/98/56/564119856.db2.gz UNTORGUVGBXOBB-OAHLLOKOSA-N 0 0 348.368 4.579 50 0 EJAARN C[C@@H](Cc1ccccc1F)NC(=O)c1cc(C2CC2)nc2ccccc21 ZINC000065818967 564121334 /nfs/dbraw/zinc/12/13/34/564121334.db2.gz YPJPQKRAMHBNJO-AWEZNQCLSA-N 0 0 348.421 4.612 50 0 EJAARN COc1ccc(-c2cc(NC(=O)CC3CCCC3)ccc2OC)cc1 ZINC000007639020 564121383 /nfs/dbraw/zinc/12/13/83/564121383.db2.gz GMHPZXXEWXBACD-UHFFFAOYSA-N 0 0 339.435 4.890 50 0 EJAARN O=C(Cc1ccc(F)cc1)Nc1nc(-c2ccccc2Cl)cs1 ZINC000007640793 564121492 /nfs/dbraw/zinc/12/14/92/564121492.db2.gz IMDKPVIHCMSFQD-UHFFFAOYSA-N 0 0 346.814 4.784 50 0 EJAARN C[C@@H](Sc1ccccc1F)C(=O)N[C@H]1CCCc2ccccc21 ZINC000007716080 564122163 /nfs/dbraw/zinc/12/21/63/564122163.db2.gz ITKOPBKEHAWEMB-DYVFJYSZSA-N 0 0 329.440 4.500 50 0 EJAARN C[C@@H](Sc1ccccc1F)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000007716065 564122196 /nfs/dbraw/zinc/12/21/96/564122196.db2.gz ITKOPBKEHAWEMB-CXAGYDPISA-N 0 0 329.440 4.500 50 0 EJAARN C[C@H](C1CC1)N(CC(F)(F)F)C(=O)c1cc2c(cccc2F)s1 ZINC000007719450 564122209 /nfs/dbraw/zinc/12/22/09/564122209.db2.gz AOXHSFPVGVGJJU-SECBINFHSA-N 0 0 345.361 4.843 50 0 EJAARN CCc1ccccc1NC(=O)c1ccc(C2SCCS2)cc1 ZINC000007724220 564122279 /nfs/dbraw/zinc/12/22/79/564122279.db2.gz FTOFPGCVKRMDHR-UHFFFAOYSA-N 0 0 329.490 4.980 50 0 EJAARN Cc1cc(CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)no1 ZINC000007752413 564122685 /nfs/dbraw/zinc/12/26/85/564122685.db2.gz QIBXFAJSVWOFTR-UHFFFAOYSA-N 0 0 329.425 4.623 50 0 EJAARN CN(Cc1coc(-c2ccccc2)n1)Cc1coc(-c2ccccc2)n1 ZINC000007787137 564123323 /nfs/dbraw/zinc/12/33/23/564123323.db2.gz FOIDDEXIMUJHLX-UHFFFAOYSA-N 0 0 345.402 4.629 50 0 EJAARN COc1ccc(SCC(=O)Nc2c(C)cc(C)cc2Cl)cc1 ZINC000007790918 564123407 /nfs/dbraw/zinc/12/34/07/564123407.db2.gz NOCLOMFQPIVYHC-UHFFFAOYSA-N 0 0 335.856 4.696 50 0 EJAARN Cc1ccc(OCCCC(=O)N[C@H]2CCSc3ccccc32)cc1 ZINC000007814072 564123951 /nfs/dbraw/zinc/12/39/51/564123951.db2.gz VBITULJGVZYMAI-SFHVURJKSA-N 0 0 341.476 4.507 50 0 EJAARN C[C@@H]1c2ccsc2CCN1C(=O)c1csc(-c2ccsc2)n1 ZINC000007830764 564124094 /nfs/dbraw/zinc/12/40/94/564124094.db2.gz ZVTNRMQEGKRTTJ-SNVBAGLBSA-N 0 0 346.502 4.693 50 0 EJAARN Cc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)o1 ZINC000007883956 564124365 /nfs/dbraw/zinc/12/43/65/564124365.db2.gz SEEHFGTUFDHJFB-FQEVSTJZSA-N 0 0 332.403 4.663 50 0 EJAARN CCCN1C(=O)c2ccccc2N[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000007886476 564124433 /nfs/dbraw/zinc/12/44/33/564124433.db2.gz OJBPVOJRUNCPJD-INIZCTEOSA-N 0 0 334.341 4.682 50 0 EJAARN CCOc1ccc(NC(=O)c2cc(C3CC3)nc3ccccc32)cc1 ZINC000007915624 564125127 /nfs/dbraw/zinc/12/51/27/564125127.db2.gz AONNVCPKKIDSKJ-UHFFFAOYSA-N 0 0 332.403 4.763 50 0 EJAARN Cc1nc(COc2ccccc2C(=O)Nc2ccccc2C)cs1 ZINC000007918132 564125143 /nfs/dbraw/zinc/12/51/43/564125143.db2.gz TYMRESBWVOPGQO-UHFFFAOYSA-N 0 0 338.432 4.591 50 0 EJAARN C[C@@H](N[C@@H](C)c1nnc(-c2cccs2)o1)c1ccc(Cl)cc1 ZINC000007919221 564125263 /nfs/dbraw/zinc/12/52/63/564125263.db2.gz ZLESPCJLMTWWOW-MNOVXSKESA-N 0 0 333.844 4.863 50 0 EJAARN Cc1ccccc1NC(=O)NC(=O)c1sc2ccccc2c1Cl ZINC000019925285 564129130 /nfs/dbraw/zinc/12/91/30/564129130.db2.gz ZLNZQXKFYRNESQ-UHFFFAOYSA-N 0 0 344.823 4.825 50 0 EJAARN CCOC(=O)c1cc2sc3cc(C(=O)OCC)sc3c2s1 ZINC000113743488 564129521 /nfs/dbraw/zinc/12/95/21/564129521.db2.gz SXBIAKZMSXMKTA-UHFFFAOYSA-N 0 0 340.447 4.531 50 0 EJAARN O=C(Nc1c(-c2ccco2)nc2ccccn21)c1sccc1Cl ZINC000253419644 564130977 /nfs/dbraw/zinc/13/09/77/564130977.db2.gz WOELBMJTLWJYCC-UHFFFAOYSA-N 0 0 343.795 4.562 50 0 EJAARN Cc1cccc(F)c1NC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000253429725 564131270 /nfs/dbraw/zinc/13/12/70/564131270.db2.gz UZTWUMBYQKCBOQ-INIZCTEOSA-N 0 0 341.411 4.502 50 0 EJAARN CCC[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NC(C)C ZINC000002326527 564132349 /nfs/dbraw/zinc/13/23/49/564132349.db2.gz RIPALYDKMCHMGD-ZGJBTBESSA-N 0 0 333.475 4.835 50 0 EJAARN COC1(OC)CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@H]3CC[C@H]2C1 ZINC000253499625 564132768 /nfs/dbraw/zinc/13/27/68/564132768.db2.gz LLKUOQXUUFDONQ-VOSWSFSHSA-N 0 0 334.500 4.587 50 0 biogenic EJAARN CSCc1cc(=O)[nH]c(SCc2ccc(Cl)c(Cl)c2)n1 ZINC000018152514 564133515 /nfs/dbraw/zinc/13/35/15/564133515.db2.gz FFOADBXXKFJPQU-UHFFFAOYSA-N 0 0 347.292 4.644 50 0 EJAARN CCc1c(C)c2ccc(OCc3ccc(Cl)cc3)cc2oc1=O ZINC000002358394 564133587 /nfs/dbraw/zinc/13/35/87/564133587.db2.gz KCRVNVFOUBYELF-UHFFFAOYSA-N 0 0 328.795 4.896 50 0 EJAARN CC(C)Cc1ccc(/C=C/C(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000002383624 564134224 /nfs/dbraw/zinc/13/42/24/564134224.db2.gz GRMIGNNNPIGKRS-JXMROGBWSA-N 0 0 333.353 4.954 50 0 EJAARN CCOCCCn1c2c(c(=S)nc1-c1ccccc1)CCCC2 ZINC000002432316 564135111 /nfs/dbraw/zinc/13/51/11/564135111.db2.gz WNAJNBPPUNOQLE-UHFFFAOYSA-N 0 0 328.481 4.585 50 0 EJAARN CCCCCCc1c(C)c2ccc(OCC(C)=O)c(C)c2oc1=O ZINC000002441749 564135242 /nfs/dbraw/zinc/13/52/42/564135242.db2.gz RHPVHNDBHCUYBL-UHFFFAOYSA-N 0 0 330.424 4.500 50 0 EJAARN Cc1cc(NC(=O)c2ccccc2)c(NC(=O)c2ccccc2)cc1C ZINC000038962314 564135247 /nfs/dbraw/zinc/13/52/47/564135247.db2.gz BFSRWKHHVHXWMN-UHFFFAOYSA-N 0 0 344.414 4.808 50 0 EJAARN CCCCn1nc(C)c(C(=O)Nc2ccc(Cl)cc2)c1Cl ZINC000007940995 564135302 /nfs/dbraw/zinc/13/53/02/564135302.db2.gz JJSASLMPJTUTTN-UHFFFAOYSA-N 0 0 326.227 4.551 50 0 EJAARN O=C(CCSc1nc2ccccc2s1)Nc1ccccc1F ZINC000007946942 564135488 /nfs/dbraw/zinc/13/54/88/564135488.db2.gz IOKDMZXFANBFBD-UHFFFAOYSA-N 0 0 332.425 4.556 50 0 EJAARN O=C(c1ccccc1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000007947049 564135498 /nfs/dbraw/zinc/13/54/98/564135498.db2.gz KCMKURXPLXDGKE-QGZVFWFLSA-N 0 0 325.458 4.598 50 0 EJAARN CCc1ccc(NC(=O)c2sc(-c3ccsc3)nc2C)cc1 ZINC000012980490 564135818 /nfs/dbraw/zinc/13/58/18/564135818.db2.gz HHOUQSYSSKPFRK-UHFFFAOYSA-N 0 0 328.462 4.995 50 0 EJAARN Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc(Cl)cc1F ZINC000007952145 564136099 /nfs/dbraw/zinc/13/60/99/564136099.db2.gz WZVOBSXWOHGAHL-UHFFFAOYSA-N 0 0 342.801 4.825 50 0 EJAARN CC(=O)c1cccc(NC(=O)c2sc(-c3ccsc3)nc2C)c1 ZINC000007951759 564136108 /nfs/dbraw/zinc/13/61/08/564136108.db2.gz AZRPXYBLDQKSQG-UHFFFAOYSA-N 0 0 342.445 4.635 50 0 EJAARN Cc1nn(C)c(NC(=O)Nc2ccc(Cl)cc2)c1C1=CCCCC1 ZINC000013365616 564136277 /nfs/dbraw/zinc/13/62/77/564136277.db2.gz BWQPJUZSRUXIAN-UHFFFAOYSA-N 0 0 344.846 4.983 50 0 EJAARN Cc1nn(C)c(NC(=O)Nc2ccc(C)c(F)c2)c1C1=CCCCC1 ZINC000013365755 564136285 /nfs/dbraw/zinc/13/62/85/564136285.db2.gz FCMLYKYROMLVTJ-UHFFFAOYSA-N 0 0 342.418 4.777 50 0 EJAARN Cc1csc(SCc2cn3cc(Cl)cc(Cl)c3n2)n1 ZINC000078720354 564136939 /nfs/dbraw/zinc/13/69/39/564136939.db2.gz BRIRPWHUAMRHJO-UHFFFAOYSA-N 0 0 330.265 4.698 50 0 EJAARN CCOc1ccc(CC(=O)N2CCCC[C@H]2CSC(C)(C)C)cc1 ZINC000390830001 564138632 /nfs/dbraw/zinc/13/86/32/564138632.db2.gz IAZDTRHZCANIML-KRWDZBQOSA-N 0 0 349.540 4.541 50 0 EJAARN FC(F)(F)c1cc(N2CCc3sccc3C2)c2ccccc2n1 ZINC000095348811 564139225 /nfs/dbraw/zinc/13/92/25/564139225.db2.gz CWVVICKALRSMQA-UHFFFAOYSA-N 0 0 334.366 4.878 50 0 EJAARN CCC(=O)c1cc(C(=O)N[C@H](c2ccc(C)cc2)C2CC2)ccc1F ZINC000095441015 564140521 /nfs/dbraw/zinc/14/05/21/564140521.db2.gz PKIHOWNLWWCPEW-HXUWFJFHSA-N 0 0 339.410 4.608 50 0 EJAARN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Sc2nc3ccccc3s2)o1 ZINC000095447713 564140587 /nfs/dbraw/zinc/14/05/87/564140587.db2.gz YQYHITCCIHLCCY-VXGBXAGGSA-N 0 0 346.477 4.556 50 0 EJAARN C[C@H]1CCCN(c2ccccc2OCc2nc3cccnc3s2)C1 ZINC000095458369 564140675 /nfs/dbraw/zinc/14/06/75/564140675.db2.gz MISHLUNNKBAPCF-AWEZNQCLSA-N 0 0 339.464 4.507 50 0 EJAARN O=C(c1cccc2ccccc21)N1CCC(OCc2ccccc2)CC1 ZINC000095469744 564141226 /nfs/dbraw/zinc/14/12/26/564141226.db2.gz ZDJMMEMSETUTSZ-UHFFFAOYSA-N 0 0 345.442 4.661 50 0 EJAARN CC(C)(C)OC(=O)N[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000095836974 564141913 /nfs/dbraw/zinc/14/19/13/564141913.db2.gz KJRNXFVJPCQLFL-MOPGFXCFSA-N 0 0 339.435 4.646 50 0 EJAARN CC[C@H](c1ccc(F)cc1)[S@@](=O)Cc1coc(-c2cccs2)n1 ZINC000095960696 564142699 /nfs/dbraw/zinc/14/26/99/564142699.db2.gz GZPHALFMLJHRQL-WAIKUNEKSA-N 0 0 349.452 4.942 50 0 EJAARN Cn1ccc(CSC(c2ccc(F)cc2)c2ccc(F)cc2)n1 ZINC000095983443 564143782 /nfs/dbraw/zinc/14/37/82/564143782.db2.gz DYEDHYJPAHBXSA-UHFFFAOYSA-N 0 0 330.403 4.721 50 0 EJAARN CC(C)n1ccc2c1cccc2C(=O)N[C@@H](C)c1nc2ccccc2[nH]1 ZINC000096118857 564145503 /nfs/dbraw/zinc/14/55/03/564145503.db2.gz ZADOLLDBDSWQNQ-AWEZNQCLSA-N 0 0 346.434 4.590 50 0 EJAARN C[C@@H](SC/C=C\c1ccccc1)C(=O)Nc1cc(F)ccc1F ZINC000096126930 564145723 /nfs/dbraw/zinc/14/57/23/564145723.db2.gz YOOUXYKOEUIYNV-DMTLFAOVSA-N 0 0 333.403 4.738 50 0 EJAARN N=c1oc2ccc(Cl)cc2cc1C(=O)Nc1ccc2ccccc2c1 ZINC000096136859 564145770 /nfs/dbraw/zinc/14/57/70/564145770.db2.gz HACWJTODAYFCMV-UHFFFAOYSA-N 0 0 348.789 4.971 50 0 EJAARN COc1ccc2[nH]cc([C@@H](CC(=O)Nc3ccccc3)C(C)C)c2c1 ZINC000096276310 564146271 /nfs/dbraw/zinc/14/62/71/564146271.db2.gz NTOWMABTPBBDDP-KRWDZBQOSA-N 0 0 336.435 4.945 50 0 EJAARN O=C(/C=C(/c1ccccc1)C(F)(F)F)N[C@H](c1ccccc1)C1CC1 ZINC000096316220 564146743 /nfs/dbraw/zinc/14/67/43/564146743.db2.gz DVTPXLGYUVRVCA-BLMOFCDVSA-N 0 0 345.364 4.900 50 0 EJAARN CC(C)Oc1ccccc1C[S@@](=O)Cc1csc(C(C)C)n1 ZINC000096404392 564147240 /nfs/dbraw/zinc/14/72/40/564147240.db2.gz PEZYWKRWZXQVNZ-QFIPXVFZSA-N 0 0 337.510 4.503 50 0 EJAARN CC(C)Oc1ccccc1C[S@](=O)Cc1csc(C(C)C)n1 ZINC000096404391 564147246 /nfs/dbraw/zinc/14/72/46/564147246.db2.gz PEZYWKRWZXQVNZ-JOCHJYFZSA-N 0 0 337.510 4.503 50 0 EJAARN CCc1ccc(-c2csc(N[C@@H]3OC(=O)c4ccccc43)n2)cc1 ZINC000002479584 564149743 /nfs/dbraw/zinc/14/97/43/564149743.db2.gz VWVHJHJQKAHKGM-QGZVFWFLSA-N 0 0 336.416 4.654 50 0 EJAARN Cc1nc2oc(-c3ccccc3)nc2cc1NC(=O)c1cccs1 ZINC000225625069 564150011 /nfs/dbraw/zinc/15/00/11/564150011.db2.gz NPYJDWDFCHHPLA-UHFFFAOYSA-N 0 0 335.388 4.512 50 0 EJAARN O=[N+]([O-])c1ccccc1N=NCc1ccccc1OCc1ccccc1 ZINC000028467788 564151086 /nfs/dbraw/zinc/15/10/86/564151086.db2.gz UWNDUGAVAGVIKN-UHFFFAOYSA-N 0 0 347.374 4.620 50 0 EJAARN O=C(CSc1cc(Cl)ccc1Cl)NCc1ccc(F)cc1 ZINC000002626176 564151312 /nfs/dbraw/zinc/15/13/12/564151312.db2.gz CZSXWOWDTDZQER-UHFFFAOYSA-N 0 0 344.238 4.541 50 0 EJAARN Cc1sc2ncnc(SCC(=O)c3ccc(C)cc3C)c2c1C ZINC000002625393 564151328 /nfs/dbraw/zinc/15/13/28/564151328.db2.gz FIJJYLDZDJRSRZ-UHFFFAOYSA-N 0 0 342.489 4.900 50 0 EJAARN Cc1nc2ccccc2nc1CSCc1nc2ccccc2nc1C ZINC000002626370 564151340 /nfs/dbraw/zinc/15/13/40/564151340.db2.gz WKLYVEIDPPZAOJ-UHFFFAOYSA-N 0 0 346.459 4.623 50 0 EJAARN O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1ccco1 ZINC000002628375 564151389 /nfs/dbraw/zinc/15/13/89/564151389.db2.gz IEZFSEQHDLPPLJ-UHFFFAOYSA-N 0 0 336.372 4.934 50 0 EJAARN CCn1c(SCc2c(C)noc2C)nnc1-c1ccc(Cl)cc1 ZINC000002628921 564151390 /nfs/dbraw/zinc/15/13/90/564151390.db2.gz CNYZTHQUVUENNP-UHFFFAOYSA-N 0 0 348.859 4.516 50 0 EJAARN O=C(Nc1ccc(F)c(F)c1)c1c2ccccc2nc2c1CCCC2 ZINC000002634716 564151535 /nfs/dbraw/zinc/15/15/35/564151535.db2.gz XRNHPGLUMFVAFJ-UHFFFAOYSA-N 0 0 338.357 4.644 50 0 EJAARN O=C(OCc1ccccc1F)c1cc(Br)ccc1Cl ZINC000002635127 564151564 /nfs/dbraw/zinc/15/15/64/564151564.db2.gz CZPOUMLBJOFJJO-UHFFFAOYSA-N 0 0 343.579 4.599 50 0 EJAARN CCCc1ccc(C(=O)[C@H](C)Sc2ccc(NC(C)=O)cc2)cc1 ZINC000002642606 564151738 /nfs/dbraw/zinc/15/17/38/564151738.db2.gz SAASXDLDJOQVMB-AWEZNQCLSA-N 0 0 341.476 4.961 50 0 EJAARN O=C(Cc1ccc(Cl)c(Cl)c1)Nc1cccc2ncccc21 ZINC000002652081 564151901 /nfs/dbraw/zinc/15/19/01/564151901.db2.gz CPDVVJGPWFJQHZ-UHFFFAOYSA-N 0 0 331.202 4.723 50 0 EJAARN Cc1ccc(Nc2nnc(SC[C@H]3CCCCO3)s2)cc1C ZINC000002655228 564151962 /nfs/dbraw/zinc/15/19/62/564151962.db2.gz PBPDQDNLUAJKKA-CQSZACIVSA-N 0 0 335.498 4.560 50 0 EJAARN Clc1ccc(CCNc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000002661575 564152048 /nfs/dbraw/zinc/15/20/48/564152048.db2.gz YVOSWCFMURCZGO-UHFFFAOYSA-N 0 0 343.883 4.878 50 0 EJAARN CC(C)C(=O)NCCSc1c2ccccc2[nH]c1-c1ccccc1 ZINC000002721144 564152237 /nfs/dbraw/zinc/15/22/37/564152237.db2.gz KTZDXGDHYWGUNO-UHFFFAOYSA-N 0 0 338.476 4.699 50 0 EJAARN CSc1nc2ccc(NC(=O)c3cc(F)cc(F)c3)cc2s1 ZINC000002726352 564152293 /nfs/dbraw/zinc/15/22/93/564152293.db2.gz UPWDDINCVYIJIS-UHFFFAOYSA-N 0 0 336.388 4.549 50 0 EJAARN COc1ccc(-c2nc3ccccc3c(C(=O)NC(C)(C)C)c2C)cc1 ZINC000002741801 564152379 /nfs/dbraw/zinc/15/23/79/564152379.db2.gz UVPZREAMDSKUNL-UHFFFAOYSA-N 0 0 348.446 4.747 50 0 EJAARN CCc1c(C)sc2ncn3nc([C@H]4C[C@H]4c4ccc(C)cc4)nc3c12 ZINC000002808968 564152786 /nfs/dbraw/zinc/15/27/86/564152786.db2.gz IXTIMDNXEMURGN-HOTGVXAUSA-N 0 0 348.475 4.789 50 0 EJAARN CCc1c(C)sc2ncn3nc([C@H]4C[C@@H]4c4ccc(C)cc4)nc3c12 ZINC000002808970 564152788 /nfs/dbraw/zinc/15/27/88/564152788.db2.gz IXTIMDNXEMURGN-CVEARBPZSA-N 0 0 348.475 4.789 50 0 EJAARN CC[C@H]1c2ccc(C)n2CCN1C(=O)Nc1ccc(C)cc1Cl ZINC000002908268 564152997 /nfs/dbraw/zinc/15/29/97/564152997.db2.gz VQDJDRPRKZFBFZ-INIZCTEOSA-N 0 0 331.847 4.757 50 0 EJAARN CC(C)c1ccc([C@@H]2C[C@H](c3ccccc3F)n3ncnc3N2)cc1 ZINC000002919357 564153028 /nfs/dbraw/zinc/15/30/28/564153028.db2.gz DMBFUBXVFKVCHG-RBUKOAKNSA-N 0 0 336.414 4.687 50 0 EJAARN c1csc([C@H]2CC(c3cccnc3)=Nc3nc4ccccc4n32)c1 ZINC000002914643 564153044 /nfs/dbraw/zinc/15/30/44/564153044.db2.gz URVBPCZBTJGAKH-QGZVFWFLSA-N 0 0 330.416 4.549 50 0 EJAARN CC(=O)c1cc(-c2ccccc2)n(CC(=O)Nc2ccc(C)cc2)c1C ZINC000002929726 564153122 /nfs/dbraw/zinc/15/31/22/564153122.db2.gz RXMRPBMHRIVYHL-UHFFFAOYSA-N 0 0 346.430 4.613 50 0 EJAARN CCN(CCCNc1[nH]c(=S)nc2ccccc21)c1ccccc1 ZINC000002932954 564153125 /nfs/dbraw/zinc/15/31/25/564153125.db2.gz WMCUXLWSUIQCFW-UHFFFAOYSA-N 0 0 338.480 4.621 50 0 EJAARN CC[C@@H]1c2ccsc2CCN1C(=O)N[C@H](C)c1sc(C)nc1C ZINC000057283390 564153470 /nfs/dbraw/zinc/15/34/70/564153470.db2.gz AJVODLBMPZSRSZ-BXUZGUMPSA-N 0 0 349.525 4.601 50 0 EJAARN CCc1ccc(CNC(=O)CCSCc2ccccc2Cl)cc1 ZINC000002953817 564153781 /nfs/dbraw/zinc/15/37/81/564153781.db2.gz HXRWZCJAVCQFMP-UHFFFAOYSA-N 0 0 347.911 4.842 50 0 EJAARN Cc1ccc2c(C[N@H+](C)Cc3cccc(Cl)c3)cc(=O)oc2c1C ZINC000057395613 564153866 /nfs/dbraw/zinc/15/38/66/564153866.db2.gz IQMCSHLBPUKWEO-UHFFFAOYSA-N 0 0 341.838 4.695 50 0 EJAARN CN(C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1)c1cccc(Cl)c1 ZINC000057412167 564154010 /nfs/dbraw/zinc/15/40/10/564154010.db2.gz XATYZQVQHNFBNF-UHFFFAOYSA-N 0 0 346.217 4.660 50 0 EJAARN C[C@H](Oc1ccc(Cl)cc1)c1ccnn1C(=O)Nc1ccccc1 ZINC000003017459 564154389 /nfs/dbraw/zinc/15/43/89/564154389.db2.gz LOKWBQKIAJEWGQ-ZDUSSCGKSA-N 0 0 341.798 4.757 50 0 EJAARN Cc1ccc(SCC(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000003049170 564154674 /nfs/dbraw/zinc/15/46/74/564154674.db2.gz BYYYBYPXSJUABS-UHFFFAOYSA-N 0 0 340.473 4.849 50 0 EJAARN Clc1ccc(-c2nnc3c4ccccc4nc(Cl)n23)cc1Cl ZINC000003063789 564154901 /nfs/dbraw/zinc/15/49/01/564154901.db2.gz DBYQIPZHDSTELS-UHFFFAOYSA-N 0 0 349.608 4.905 50 0 EJAARN CCOC(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]3CCC(=O)[C@]3(C)CC[C@H]21 ZINC000230184205 564155008 /nfs/dbraw/zinc/15/50/08/564155008.db2.gz ZYCKOAZLWMCLLK-DCXXXQMHSA-N 0 0 342.435 4.647 50 0 EJAARN O=C(Nc1nccs1)c1cc(-c2cccs2)nc2ccccc21 ZINC000003183638 564155756 /nfs/dbraw/zinc/15/57/56/564155756.db2.gz DAXSQWBCHBMJQY-UHFFFAOYSA-N 0 0 337.429 4.672 50 0 EJAARN O=C(c1ccc(Cl)cc1Cl)N(c1ccccn1)c1ccccn1 ZINC000003183635 564155757 /nfs/dbraw/zinc/15/57/57/564155757.db2.gz NEZWJGSKPDCDGK-UHFFFAOYSA-N 0 0 344.201 4.762 50 0 EJAARN Cc1ccc(NC(=O)COc2ccc(Oc3ccccc3)cc2)cc1 ZINC000003189428 564155798 /nfs/dbraw/zinc/15/57/98/564155798.db2.gz INKAXGFIWWPODJ-UHFFFAOYSA-N 0 0 333.387 4.805 50 0 EJAARN CCCCCOc1ccc([C@H](C)NC(=O)c2occc2C)cc1OC ZINC000057831995 564156036 /nfs/dbraw/zinc/15/60/36/564156036.db2.gz LQPXWTQKLFZRHA-HNNXBMFYSA-N 0 0 345.439 4.657 50 0 EJAARN Cc1cc2ccccn2c1C(=O)c1ccc(C(=O)c2ccccc2)cc1 ZINC000003218826 564156115 /nfs/dbraw/zinc/15/61/15/564156115.db2.gz MHWQCWVHMLWQFF-UHFFFAOYSA-N 0 0 339.394 4.710 50 0 EJAARN CCOC(=O)c1sc(NC(=O)Nc2cccc(Cl)c2)cc1C ZINC000003225685 564156237 /nfs/dbraw/zinc/15/62/37/564156237.db2.gz WDHFBYKXRZMEJO-UHFFFAOYSA-N 0 0 338.816 4.531 50 0 aggregator EJAARN Cc1cc(NC(=O)c2ccc(Cl)cc2)n(-c2cccc(Cl)c2)n1 ZINC000003234327 564156372 /nfs/dbraw/zinc/15/63/72/564156372.db2.gz IUMCVBAOSACKCT-UHFFFAOYSA-N 0 0 346.217 4.740 50 0 EJAARN CC(C)c1ccc(C(=O)OCc2c(Cl)nc3sccn32)cc1 ZINC000003256741 564156641 /nfs/dbraw/zinc/15/66/41/564156641.db2.gz ZFIGPSTZSFTSTQ-UHFFFAOYSA-N 0 0 334.828 4.530 50 0 EJAARN CCC(=O)c1cc(Br)ccc1OCc1ccc(C)cc1 ZINC000003256651 564156651 /nfs/dbraw/zinc/15/66/51/564156651.db2.gz KVRKCWLZFNADSK-UHFFFAOYSA-N 0 0 333.225 4.929 50 0 EJAARN CC(=O)c1ccc(OC(=O)c2ccccc2Oc2ccccc2)cc1 ZINC000003262977 564156773 /nfs/dbraw/zinc/15/67/73/564156773.db2.gz WDASTKXWOBGIQL-UHFFFAOYSA-N 0 0 332.355 4.901 50 0 EJAARN Cc1cc2ncn(-c3ncnc4sc5c(c43)CC[C@@H](C)C5)c2cc1C ZINC000003270693 564156823 /nfs/dbraw/zinc/15/68/23/564156823.db2.gz UCZRDCLZOKSCSG-LLVKDONJSA-N 0 0 348.475 4.772 50 0 EJAARN O=C(Cc1ccc(Cl)cc1)NCc1ccc(Cl)cc1Cl ZINC000003275900 564156875 /nfs/dbraw/zinc/15/68/75/564156875.db2.gz FFWHZTAWRLCART-UHFFFAOYSA-N 0 0 328.626 4.506 50 0 EJAARN S=C(Nc1cccc(Cl)c1)N1CCC(Cc2ccccc2)CC1 ZINC000003293148 564157110 /nfs/dbraw/zinc/15/71/10/564157110.db2.gz FNOGEVXKWFAOTG-UHFFFAOYSA-N 0 0 344.911 4.992 50 0 EJAARN c1ccc(-c2nc3ccccc3c(N3CCc4ccccc4C3)n2)cc1 ZINC000003338377 564157419 /nfs/dbraw/zinc/15/74/19/564157419.db2.gz XXSJTMKHAOMLAB-UHFFFAOYSA-N 0 0 337.426 4.860 50 0 EJAARN O=C(OCc1ccc(Cl)cc1Cl)c1ccc(Br)o1 ZINC000003341380 564157494 /nfs/dbraw/zinc/15/74/94/564157494.db2.gz DBXORMXKCSKEOF-UHFFFAOYSA-N 0 0 349.995 4.706 50 0 EJAARN COc1cccc(Nc2nc(-c3ccc(OC)cc3OC)cs2)c1 ZINC000003350626 564157578 /nfs/dbraw/zinc/15/75/78/564157578.db2.gz CXYGZZGMEBCHQD-UHFFFAOYSA-N 0 0 342.420 4.580 50 0 EJAARN Cc1noc(C(C)C)c1C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 ZINC000058139321 564157773 /nfs/dbraw/zinc/15/77/73/564157773.db2.gz PXSNHURYIOSSPY-MRXNPFEDSA-N 0 0 326.440 4.649 50 0 EJAARN O=C(CCCc1cccs1)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000058171158 564157967 /nfs/dbraw/zinc/15/79/67/564157967.db2.gz USZOOWLBHYVKLE-UHFFFAOYSA-N 0 0 349.455 4.941 50 0 EJAARN Cc1ccc(NC(=O)c2ccc(OC(C)C)cc2)c(Br)c1 ZINC000003400865 564157979 /nfs/dbraw/zinc/15/79/79/564157979.db2.gz XNECZQKVTUVDFB-UHFFFAOYSA-N 0 0 348.240 4.797 50 0 EJAARN C[C@H](Sc1ccccc1F)C(=O)Nc1ncc(Cl)cc1Cl ZINC000003473428 564158306 /nfs/dbraw/zinc/15/83/06/564158306.db2.gz KIOZMVNYZAKTNH-QMMMGPOBSA-N 0 0 345.226 4.647 50 0 EJAARN COc1ccccc1[C@H](C)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000003486871 564158422 /nfs/dbraw/zinc/15/84/22/564158422.db2.gz UIBAGOQDCZGSRF-KRWDZBQOSA-N 0 0 345.442 4.705 50 0 EJAARN O=C(OCc1ccccc1C(F)(F)F)c1ccc2ccccc2n1 ZINC000003513843 564158592 /nfs/dbraw/zinc/15/85/92/564158592.db2.gz WLZRRNRKXBWLSC-UHFFFAOYSA-N 0 0 331.293 4.611 50 0 EJAARN Cc1ccc2c(COC(=O)c3ccc4ccccc4c3)cc(=O)oc2c1 ZINC000003511338 564158597 /nfs/dbraw/zinc/15/85/97/564158597.db2.gz SKVXZBYODJPRKB-UHFFFAOYSA-N 0 0 344.366 4.612 50 0 EJAARN O=C(Nc1cccc(OC(F)(F)F)c1)c1ccccc1C(F)(F)F ZINC000031077007 564158663 /nfs/dbraw/zinc/15/86/63/564158663.db2.gz ULBWPNFTHIOHAC-UHFFFAOYSA-N 0 0 349.230 4.856 50 0 EJAARN Cc1ccc(NC(=O)c2ccccc2Br)c2cccnc12 ZINC000031091661 564158780 /nfs/dbraw/zinc/15/87/80/564158780.db2.gz CXBGFNREPREZJE-UHFFFAOYSA-N 0 0 341.208 4.558 50 0 EJAARN Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c2cccnc12 ZINC000031095476 564158824 /nfs/dbraw/zinc/15/88/24/564158824.db2.gz UHWUIXWTGWJOIS-CYBMUJFWSA-N 0 0 340.810 4.603 50 0 EJAARN O=C(NCc1ccccc1)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000015785109 564159304 /nfs/dbraw/zinc/15/93/04/564159304.db2.gz TVNAETCTIMTFJS-UHFFFAOYSA-N 0 0 346.361 4.564 50 0 EJAARN COC(=O)c1cccc(CSCc2csc(-c3ccco3)n2)c1 ZINC000031421199 564159406 /nfs/dbraw/zinc/15/94/06/564159406.db2.gz ONNGYQXTMDMWSS-UHFFFAOYSA-N 0 0 345.445 4.623 50 0 EJAARN O=C(Cc1csc(Cc2ccccc2)n1)Nc1cccc(Cl)c1 ZINC000031546854 564159511 /nfs/dbraw/zinc/15/95/11/564159511.db2.gz KWFZLDDHPHWBTH-UHFFFAOYSA-N 0 0 342.851 4.569 50 0 EJAARN COC1(OC)CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@H]3CC[C@H]2C1 ZINC000004041982 564160222 /nfs/dbraw/zinc/16/02/22/564160222.db2.gz LLKUOQXUUFDONQ-ADXOPFBHSA-N 0 0 334.500 4.587 50 0 biogenic EJAARN CSc1nc2c(c(C)n1)CCN2c1ccc(Cl)c(Cl)c1 ZINC000004052033 564160269 /nfs/dbraw/zinc/16/02/69/564160269.db2.gz JKRFXAKOTWDVKE-UHFFFAOYSA-N 0 0 326.252 4.508 50 0 EJAARN O=C(CCC(=O)c1cccs1)N[C@H](c1cccs1)C1CCCC1 ZINC000032398361 564161325 /nfs/dbraw/zinc/16/13/25/564161325.db2.gz VFWQTNGFMZDJAT-SFHVURJKSA-N 0 0 347.505 4.820 50 0 EJAARN CC(C)c1c(C(=O)NC2CCCCCC2)cnn1Cc1ccccc1 ZINC000032476869 564161502 /nfs/dbraw/zinc/16/15/02/564161502.db2.gz IZDOMQHLWJVUSL-UHFFFAOYSA-N 0 0 339.483 4.507 50 0 EJAARN CCCCNc1nnc(SCc2ncc(-c3ccccc3)o2)s1 ZINC000007974696 564161546 /nfs/dbraw/zinc/16/15/46/564161546.db2.gz QFLXMARGVYQVCK-UHFFFAOYSA-N 0 0 346.481 4.697 50 0 EJAARN O=C([O-])C1CCC([NH2+][C@@H](c2c(Cl)cccc2Cl)C2CC2)CC1 ZINC000263435964 564161693 /nfs/dbraw/zinc/16/16/93/564161693.db2.gz UPGSGDVACISVAY-ZEPSKSRBSA-N 0 0 342.266 4.678 50 0 EJAARN O=C(CCc1ccc(-c2ccccc2)o1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000007980264 564161720 /nfs/dbraw/zinc/16/17/20/564161720.db2.gz LZIRJKRXAAUVDB-PKOBYXMFSA-N 0 0 337.463 4.918 50 0 EJAARN CC(C)c1cc(=O)oc2cc(Oc3ncnc4sccc43)ccc21 ZINC000007984188 564161790 /nfs/dbraw/zinc/16/17/90/564161790.db2.gz ULORNOXJMSSBAR-UHFFFAOYSA-N 0 0 338.388 4.713 50 0 EJAARN COc1ccc(C(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)cc1 ZINC000007987921 564161887 /nfs/dbraw/zinc/16/18/87/564161887.db2.gz YFMOHPKCMZEKOS-MRXNPFEDSA-N 0 0 331.415 4.853 50 0 EJAARN O=C(Nc1nc2ccc(Cl)cc2s1)c1cccc2cccnc21 ZINC000007988800 564161938 /nfs/dbraw/zinc/16/19/38/564161938.db2.gz POEQKZUKRXCJQY-UHFFFAOYSA-N 0 0 339.807 4.750 50 0 EJAARN Fc1ccc(-c2cc(-c3nc(-c4cccc(Cl)c4)no3)n[nH]2)cc1 ZINC000007998487 564162055 /nfs/dbraw/zinc/16/20/55/564162055.db2.gz HEEMQODRWHZTAR-UHFFFAOYSA-N 0 0 340.745 4.586 50 0 EJAARN CCCCc1ccc2nc(NC(=O)Cc3csc(C)n3)sc2c1 ZINC000007996359 564162067 /nfs/dbraw/zinc/16/20/67/564162067.db2.gz HYBVGVOUWWNOJY-UHFFFAOYSA-N 0 0 345.493 4.585 50 0 EJAARN CCc1cccc(C)c1NC(=O)Cc1csc(-c2ccsc2)n1 ZINC000008007553 564162115 /nfs/dbraw/zinc/16/21/15/564162115.db2.gz GOYMJNRLBBOYHR-UHFFFAOYSA-N 0 0 342.489 4.924 50 0 EJAARN CSc1ccccc1NC(=O)COc1ccccc1C(C)(C)C ZINC000008040954 564162354 /nfs/dbraw/zinc/16/23/54/564162354.db2.gz PTIGRYLKNVCGNT-UHFFFAOYSA-N 0 0 329.465 4.724 50 0 EJAARN CC(=O)c1c(C)[nH]c(-c2csc(COc3ccccc3)n2)c1C ZINC000008042338 564162389 /nfs/dbraw/zinc/16/23/89/564162389.db2.gz IPGSLFXZXYRVPD-UHFFFAOYSA-N 0 0 326.421 4.537 50 0 EJAARN O=C(Nc1cccc(-c2nc(-c3cccc(F)c3)cs2)c1)C1CC1 ZINC000008042099 564162395 /nfs/dbraw/zinc/16/23/95/564162395.db2.gz VUAHDJBQYKPENX-UHFFFAOYSA-N 0 0 338.407 4.965 50 0 EJAARN COc1ccc(CNC(=O)c2sccc2-c2ccc(C)cc2)cc1 ZINC000008060853 564162455 /nfs/dbraw/zinc/16/24/55/564162455.db2.gz CHTSPDKVLSCINE-UHFFFAOYSA-N 0 0 337.444 4.662 50 0 EJAARN C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1cc2ccccc2o1 ZINC000008062419 564162466 /nfs/dbraw/zinc/16/24/66/564162466.db2.gz GGTVJQIOXVUCLM-NSHDSACASA-N 0 0 333.309 4.943 50 0 EJAARN CSc1nc(C)c(CCC(=O)Nc2cccc(C(C)C)c2)c(C)n1 ZINC000008096273 564162644 /nfs/dbraw/zinc/16/26/44/564162644.db2.gz NBKAGNBXQXPNMW-UHFFFAOYSA-N 0 0 343.496 4.510 50 0 EJAARN C[C@@H](NC(=O)Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1F ZINC000008101804 564162669 /nfs/dbraw/zinc/16/26/69/564162669.db2.gz POMGTADWCBHXQF-SECBINFHSA-N 0 0 344.188 4.692 50 0 EJAARN O=C(CCC1CCCC1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008104943 564162746 /nfs/dbraw/zinc/16/27/46/564162746.db2.gz LSBULDQBDSEEDH-INIZCTEOSA-N 0 0 342.508 4.973 50 0 EJAARN Cc1cccc(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)c1 ZINC000008115195 564162784 /nfs/dbraw/zinc/16/27/84/564162784.db2.gz IWTYHRULZKDDRU-FQEVSTJZSA-N 0 0 333.456 4.844 50 0 EJAARN COc1cc(C(=O)Nc2cccc(C(C)C)c2)ccc1OC(F)F ZINC000008130186 564162978 /nfs/dbraw/zinc/16/29/78/564162978.db2.gz SXYQMCFRGASXGE-UHFFFAOYSA-N 0 0 335.350 4.672 50 0 EJAARN C[C@H](NC(=O)Cn1c(-c2ccccc2)cc2ccccc21)c1ccco1 ZINC000008172489 564163341 /nfs/dbraw/zinc/16/33/41/564163341.db2.gz IKIGMCCIIWTKPD-INIZCTEOSA-N 0 0 344.414 4.779 50 0 EJAARN Cc1sc(-c2ccccn2)nc1-c1ccc(NC(=O)C(C)C)cc1 ZINC000008209563 564163590 /nfs/dbraw/zinc/16/35/90/564163590.db2.gz CIFTVHVBBAXINQ-UHFFFAOYSA-N 0 0 337.448 4.775 50 0 EJAARN CC(C)c1ccccc1OCC(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000008239137 564163757 /nfs/dbraw/zinc/16/37/57/564163757.db2.gz AAKOMNUVQXEKMC-OAHLLOKOSA-N 0 0 337.419 4.812 50 0 EJAARN C[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1cc2ccccc2o1 ZINC000008237721 564163770 /nfs/dbraw/zinc/16/37/70/564163770.db2.gz LAESWTJMDOGXMR-LBPRGKRZSA-N 0 0 347.336 4.872 50 0 EJAARN O=C(OCc1nc2ccccc2o1)c1ccc(-c2ccc(O)cc2)cc1 ZINC000008264894 564163863 /nfs/dbraw/zinc/16/38/63/564163863.db2.gz QYUCHNIBHYCFCU-UHFFFAOYSA-N 0 0 345.354 4.557 50 0 EJAARN Cc1csc(N(C(=O)Cc2c[nH]c3ccccc23)c2ccccc2)n1 ZINC000008316565 564164248 /nfs/dbraw/zinc/16/42/48/564164248.db2.gz VLVGUSDOAMGPPX-UHFFFAOYSA-N 0 0 347.443 4.840 50 0 EJAARN CCc1cccc(CC)c1NC(=O)CN1CCC[C@H]1c1cccs1 ZINC000008320458 564164265 /nfs/dbraw/zinc/16/42/65/564164265.db2.gz VEEGRTUBLRXOQL-KRWDZBQOSA-N 0 0 342.508 4.649 50 0 EJAARN Cc1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)c(F)c1 ZINC000008330220 564164534 /nfs/dbraw/zinc/16/45/34/564164534.db2.gz CHMLJWXDPFONGV-UHFFFAOYSA-N 0 0 332.425 4.500 50 0 EJAARN Cc1nc(SCc2nc3ccccc3o2)[nH]c1Cc1ccccc1 ZINC000008333675 564164558 /nfs/dbraw/zinc/16/45/58/564164558.db2.gz ZEPYLSPTTREWRC-UHFFFAOYSA-N 0 0 335.432 4.742 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VVGRXZGGDKSQOR-UHFFFAOYSA-N 0 0 344.418 4.555 50 0 EJAARN Clc1ccc(C2(c3nc(C4CCCCC4)no3)CCOCC2)cc1 ZINC000069972746 564172998 /nfs/dbraw/zinc/17/29/98/564172998.db2.gz GHJPWZYPFBWTKX-UHFFFAOYSA-N 0 0 346.858 4.867 50 0 EJAARN O=C(Nc1cccc(N2CCCCC2)c1)N[C@H]1CCCc2ccccc21 ZINC000070005622 564173228 /nfs/dbraw/zinc/17/32/28/564173228.db2.gz UXXQUKLGWRSZNC-NRFANRHFSA-N 0 0 349.478 4.876 50 0 EJAARN CCCCOc1ccc(C(=O)N2CCSc3ccccc32)cc1 ZINC000041155188 564173558 /nfs/dbraw/zinc/17/35/58/564173558.db2.gz DPDCDHXOLHKRSW-UHFFFAOYSA-N 0 0 327.449 4.618 50 0 EJAARN c1ccc(CCNc2nc(N3CCCCCC3)nc3ccccc32)cc1 ZINC000041153263 564173563 /nfs/dbraw/zinc/17/35/63/564173563.db2.gz QNDBTEXPXDFKLM-UHFFFAOYSA-N 0 0 346.478 4.665 50 0 EJAARN CCOc1ccc(N2C(=O)c3ccccc3NC23CCCCC3)cc1 ZINC000009423420 564173652 /nfs/dbraw/zinc/17/36/52/564173652.db2.gz OPVZDUPRTJWXPG-UHFFFAOYSA-N 0 0 336.435 4.818 50 0 EJAARN O=C1c2ccccc2N[C@H](c2ccccc2)N1c1ccc(F)c(F)c1 ZINC000009422521 564173665 /nfs/dbraw/zinc/17/36/65/564173665.db2.gz ANUGODRVDVQQMS-IBGZPJMESA-N 0 0 336.341 4.736 50 0 EJAARN O[C@@](c1c[nH]c2ccccc21)(c1nc2ccccc2s1)C(F)(F)F ZINC000009453224 564173736 /nfs/dbraw/zinc/17/37/36/564173736.db2.gz IGPTWYSKNZTNGY-INIZCTEOSA-N 0 0 348.349 4.576 50 0 EJAARN C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)c1cccc(Cl)c1 ZINC000009496090 564173890 /nfs/dbraw/zinc/17/38/90/564173890.db2.gz UAHSYUOCYXSZSG-SNVBAGLBSA-N 0 0 347.871 4.507 50 0 EJAARN O=c1[nH]c2c(-c3cccc(Cl)c3)sc(=S)n2c2ccccc12 ZINC000015828618 564173927 /nfs/dbraw/zinc/17/39/27/564173927.db2.gz BXAKRZPIYIVKEV-UHFFFAOYSA-N 0 0 344.848 4.892 50 0 EJAARN CCc1ccc(NC(=O)c2cc3c(s2)c2ccccc2[nH]c3=O)cc1 ZINC000009636182 564174333 /nfs/dbraw/zinc/17/43/33/564174333.db2.gz OHFMCPWLAYBPEI-UHFFFAOYSA-N 0 0 348.427 4.558 50 0 EJAARN Cc1[nH]c2ccccc2c1[C@H]1C(C)=C(C)C(=O)N1Cc1cccs1 ZINC000009668385 564174379 /nfs/dbraw/zinc/17/43/79/564174379.db2.gz XPMPDZZKFHINNM-LJQANCHMSA-N 0 0 336.460 4.958 50 0 EJAARN O=C1C[C@H](c2ccc(F)c(F)c2F)c2cnn(C3CCCC3)c2N1 ZINC000071279231 564174839 /nfs/dbraw/zinc/17/48/39/564174839.db2.gz NAANPXLBKCMAMF-LLVKDONJSA-N 0 0 335.329 4.539 50 0 EJAARN CC(C)n1ncc2c1NC(=O)C[C@@H]2c1ccc(-c2ccc(F)cc2)o1 ZINC000071280420 564174852 /nfs/dbraw/zinc/17/48/52/564174852.db2.gz SNDBBTKADWFJHK-AWEZNQCLSA-N 0 0 339.370 4.987 50 0 EJAARN C[C@@H](NC(=O)Nc1nc2ccccc2s1)c1ccccc1Cl ZINC000009958634 564174951 /nfs/dbraw/zinc/17/49/51/564174951.db2.gz MRCCQZKTXZNBRH-SNVBAGLBSA-N 0 0 331.828 4.832 50 0 EJAARN CC(C)[C@H]1CCCN1C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000071829979 564175707 /nfs/dbraw/zinc/17/57/07/564175707.db2.gz JWMHKBPXMCJJIH-MRXNPFEDSA-N 0 0 346.858 4.575 50 0 EJAARN O=C(Cc1c[nH]c2ccccc12)Oc1ccc(Oc2ccccn2)cc1 ZINC000071837647 564175852 /nfs/dbraw/zinc/17/58/52/564175852.db2.gz XRTBGIQZPGDENB-UHFFFAOYSA-N 0 0 344.370 4.503 50 0 EJAARN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc2cc[nH]c2c1 ZINC000071844246 564175911 /nfs/dbraw/zinc/17/59/11/564175911.db2.gz 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/nfs/dbraw/zinc/42/30/48/568423048.db2.gz YSKCVVDJLTYHON-VXGBXAGGSA-N 0 0 345.443 4.966 50 0 EJAARN CC1CCN(C(=O)c2c(Cl)nc(Cl)c(Cl)c2Cl)CC1 ZINC000004743197 210267225 /nfs/dbraw/zinc/26/72/25/210267225.db2.gz SJCYMOJQWOUART-UHFFFAOYSA-N 0 0 342.053 4.567 50 0 EJAARN Cl/C(=C/c1cc2c(c(Cl)c1)OCO2)c1nc2ccccc2[nH]1 ZINC000050827014 214070512 /nfs/dbraw/zinc/07/05/12/214070512.db2.gz UKZBHBZUKXXOCO-IZZDOVSWSA-N 0 0 333.174 4.682 50 0 EJAARN CCc1cccc(C)c1Nc1c(-c2ccc(O)cc2)nc2cnccn21 ZINC000004733461 210264797 /nfs/dbraw/zinc/26/47/97/210264797.db2.gz QDYYBFPOOWQNHP-UHFFFAOYSA-N 0 0 344.418 4.716 50 0 EJAARN COc1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)c(C)c1 ZINC000051355887 214089903 /nfs/dbraw/zinc/08/99/03/214089903.db2.gz SPKOHTBBEWDKLT-UHFFFAOYSA-N 0 0 325.195 4.954 50 0 EJAARN CC1(C)Cc2c(c(Nc3ccccc3)nn2-c2ccccc2)C(=O)C1 ZINC000004737023 210263833 /nfs/dbraw/zinc/26/38/33/210263833.db2.gz HMNODXCWKHQDQG-UHFFFAOYSA-N 0 0 331.419 4.771 50 0 EJAARN COc1cc(-c2nc3ccccn3c2Nc2ccc(C)cc2)ccc1O ZINC000004733908 210263552 /nfs/dbraw/zinc/26/35/52/210263552.db2.gz MYCLFFSHQNYHIA-UHFFFAOYSA-N 0 0 345.402 4.768 50 0 EJAARN C[C@@H](N[C@@H](C)c1nc(C2CC2)no1)c1ccc(Cl)cc1Cl ZINC000051535225 214097149 /nfs/dbraw/zinc/09/71/49/214097149.db2.gz GNWHGLIPKBYPLA-BDAKNGLRSA-N 0 0 326.227 4.666 50 0 EJAARN O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)C1CCCCC1 ZINC000051448917 214093309 /nfs/dbraw/zinc/09/33/09/214093309.db2.gz BXSMYBBUQGTXKX-UHFFFAOYSA-N 0 0 347.418 4.922 50 0 EJAARN C[C@@H](C(=O)Nc1ccccc1Cl)N1CCC[C@@H]1c1ccsc1 ZINC000052803624 214146868 /nfs/dbraw/zinc/14/68/68/214146868.db2.gz BBCTWGHZQXJGKP-BLLLJJGKSA-N 0 0 334.872 4.566 50 0 EJAARN Clc1ccc(-c2nnc(CN3CCC[C@@H]3c3ccsc3)o2)cc1 ZINC000052803276 214147532 /nfs/dbraw/zinc/14/75/32/214147532.db2.gz YHWCFVCZAGOMCN-OAHLLOKOSA-N 0 0 345.855 4.789 50 0 EJAARN CCc1cc(=O)oc2c(C)c(OCc3ccccc3Cl)ccc12 ZINC000004724587 210260090 /nfs/dbraw/zinc/26/00/90/210260090.db2.gz KFTSZPHBQAUDIW-UHFFFAOYSA-N 0 0 328.795 4.896 50 0 EJAARN O=C(Cn1c(-c2ccccc2)cc2ccccc21)NC1CCCCC1 ZINC000004711964 210256816 /nfs/dbraw/zinc/25/68/16/210256816.db2.gz ZPDBOMCUQYYBBJ-UHFFFAOYSA-N 0 0 332.447 4.757 50 0 EJAARN C[C@@H](Sc1nccn1C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000053352550 214178096 /nfs/dbraw/zinc/17/80/96/214178096.db2.gz UELFDLHUNFPYDT-CQSZACIVSA-N 0 0 337.448 4.526 50 0 EJAARN Cc1nc(S[C@H](C)C(=O)Nc2c(Cl)cccc2Cl)oc1C ZINC000053720680 214195806 /nfs/dbraw/zinc/19/58/06/214195806.db2.gz PHKSPDDUKODBPX-SECBINFHSA-N 0 0 345.251 4.718 50 0 EJAARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1Cl ZINC000053944017 214205768 /nfs/dbraw/zinc/20/57/68/214205768.db2.gz HQRBEWPKIFRJGM-UHFFFAOYSA-N 0 0 340.810 4.794 50 0 EJAARN Fc1cc(C(F)(F)F)ccc1CN1CCCC[C@H]1c1ccccn1 ZINC000097698902 219049892 /nfs/dbraw/zinc/04/98/92/219049892.db2.gz OQAHQMZNJIGUGC-KRWDZBQOSA-N 0 0 338.348 4.967 50 0 EJAARN CC(C)OCCCNC(=S)Nc1ccc(Nc2ccccc2)cc1 ZINC000004702280 210253243 /nfs/dbraw/zinc/25/32/43/210253243.db2.gz FKPPMQSGUHTPAP-UHFFFAOYSA-N 0 0 343.496 4.532 50 0 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/nfs/dbraw/zinc/21/68/23/210216823.db2.gz FTYXMOUWPDUMEH-UHFFFAOYSA-N 0 0 333.762 4.992 50 0 EJAARN COc1ccc(-c2cc3cc4c(C)coc4cc3oc2=O)cc1OC ZINC000004540420 210216475 /nfs/dbraw/zinc/21/64/75/210216475.db2.gz HOBIGLRLFWIOLP-UHFFFAOYSA-N 0 0 336.343 4.532 50 0 biogenic EJAARN O=C(/C=C/c1ccc2c(c1)OCO2)n1c2ccccc2c2c1CCCC2 ZINC000004524790 210213260 /nfs/dbraw/zinc/21/32/60/210213260.db2.gz IPCMPHHJAIICOX-ZRDIBKRKSA-N 0 0 345.398 4.602 50 0 EJAARN CSc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000004517603 210211708 /nfs/dbraw/zinc/21/17/08/210211708.db2.gz QUFFDNCWUAQMMX-UHFFFAOYSA-N 0 0 326.446 4.784 50 0 EJAARN Cc1ccc(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)o1 ZINC000004510730 210208786 /nfs/dbraw/zinc/20/87/86/210208786.db2.gz KIFYZJHSDXGGLF-UHFFFAOYSA-N 0 0 332.812 4.541 50 0 EJAARN Cc1ccc([S@@](C)(=O)=NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000100218643 219095362 /nfs/dbraw/zinc/09/53/62/219095362.db2.gz FEVOAORZEWTBNQ-HSZRJFAPSA-N 0 0 329.465 4.590 50 0 EJAARN O=C(CSc1ccccc1)Nc1nc2ccc(Cl)cc2s1 ZINC000004496610 210203337 /nfs/dbraw/zinc/20/33/37/210203337.db2.gz XJIQFOZJBRHPFB-UHFFFAOYSA-N 0 0 334.853 4.681 50 0 EJAARN O=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)C1CCCCC1 ZINC000004479420 210198932 /nfs/dbraw/zinc/19/89/32/210198932.db2.gz SBHNZTRNEFQVCR-UHFFFAOYSA-N 0 0 340.210 4.562 50 0 EJAARN COc1cc2ccccc2cc1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000004451313 210193126 /nfs/dbraw/zinc/19/31/26/210193126.db2.gz NVGWYFKWFWOKDM-UHFFFAOYSA-N 0 0 349.474 4.795 50 0 EJAARN Cc1cccc(Oc2ccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@@H]4C3=O)cc2)c1 ZINC000100744487 219105703 /nfs/dbraw/zinc/10/57/03/219105703.db2.gz RPFXZAVVAHHALA-BEVDRBHNSA-N 0 0 349.430 4.713 50 0 EJAARN CCc1nc(-c2ccc(C(=O)Nc3ccccc3F)cc2)cs1 ZINC000064677421 214801323 /nfs/dbraw/zinc/80/13/23/214801323.db2.gz IBWUGTUIJCVMBJ-UHFFFAOYSA-N 0 0 326.396 4.764 50 0 EJAARN CC[C@@H](O)c1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000004386178 210184482 /nfs/dbraw/zinc/18/44/82/210184482.db2.gz XTKBUHKIJUOAKQ-MRXNPFEDSA-N 0 0 335.234 4.835 50 0 EJAARN Fc1ccc(OCc2ncc(-c3ccccc3)o2)c(Br)c1 ZINC000007437901 201721176 /nfs/dbraw/zinc/72/11/76/201721176.db2.gz VCRDTMROMPABEP-UHFFFAOYSA-N 0 0 348.171 4.822 50 0 EJAARN Cc1nc(C)c(-c2ccc(SCc3cccc(F)c3)nn2)s1 ZINC000004358300 210178949 /nfs/dbraw/zinc/17/89/49/210178949.db2.gz LQWKFBKOUFQCBS-UHFFFAOYSA-N 0 0 331.441 4.648 50 0 EJAARN COc1ccccc1-c1ccc(SCc2cccc(F)c2)nn1 ZINC000004356125 210178760 /nfs/dbraw/zinc/17/87/60/210178760.db2.gz DKWFBDOOOUEADU-UHFFFAOYSA-N 0 0 326.396 4.584 50 0 EJAARN Cc1nc(C)c(C(=O)NC(C)(C)c2ccc(Cl)c(Cl)c2)s1 ZINC000064951527 214816213 /nfs/dbraw/zinc/81/62/13/214816213.db2.gz VAAJYOKISTWNPG-UHFFFAOYSA-N 0 0 343.279 4.732 50 0 EJAARN Cc1nnc(SCc2ccc(Cl)cc2)n1-c1ccccc1C ZINC000004358917 210178420 /nfs/dbraw/zinc/17/84/20/210178420.db2.gz NBPGGLTXHSUQAU-UHFFFAOYSA-N 0 0 329.856 4.830 50 0 EJAARN CCc1ccccc1NC(=O)N1CCC[C@H]1c1cc(C(C)C)on1 ZINC000064984809 214820041 /nfs/dbraw/zinc/82/00/41/214820041.db2.gz IQZSDPWIROXQKU-KRWDZBQOSA-N 0 0 327.428 4.729 50 0 EJAARN CCCc1cc([C@H]2CCCN2C(=O)Nc2ccccc2CC)no1 ZINC000064984812 214820121 /nfs/dbraw/zinc/82/01/21/214820121.db2.gz SBSPSOTWZWQVQG-GOSISDBHSA-N 0 0 327.428 4.559 50 0 EJAARN Cc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)o1 ZINC000004349494 210177414 /nfs/dbraw/zinc/17/74/14/210177414.db2.gz GCPZHKOWNSMENP-KXBFYZLASA-N 0 0 336.416 4.892 50 0 EJAARN Cc1nnc(SCc2ncc(-c3ccc(Cl)cc3)o2)n1C1CC1 ZINC000007617829 201723706 /nfs/dbraw/zinc/72/37/06/201723706.db2.gz FOWJRDQTAXIWPT-UHFFFAOYSA-N 0 0 346.843 4.522 50 0 EJAARN O=C(CCCc1nc2ccccc2s1)NCc1ccc(Cl)cc1 ZINC000007608757 201723934 /nfs/dbraw/zinc/72/39/34/201723934.db2.gz VIOCAZPHFRKTFF-UHFFFAOYSA-N 0 0 344.867 4.589 50 0 EJAARN O=C1[C@H]2CCCC2=Nc2ccccc2N1Cc1ccc(F)cc1Cl ZINC000101320833 219121608 /nfs/dbraw/zinc/12/16/08/219121608.db2.gz VYEBRSNVELZGMX-AWEZNQCLSA-N 0 0 342.801 4.899 50 0 EJAARN CCCCN(CC)c1ccc(-c2nc(-c3ccc(C)cc3)no2)cn1 ZINC000065097803 214828927 /nfs/dbraw/zinc/82/89/27/214828927.db2.gz SLPINWXGOGVWME-UHFFFAOYSA-N 0 0 336.439 4.733 50 0 EJAARN CCN(Cc1ccccc1)N1c2ccccc2[C@H](c2ccccc2)C1=O ZINC000101357761 219123933 /nfs/dbraw/zinc/12/39/33/219123933.db2.gz ZVLUGYUWRKXAQV-QFIPXVFZSA-N 0 0 342.442 4.602 50 0 EJAARN CCOc1ccc(C(=O)Nc2nc3c(ccc(Cl)c3C)s2)cc1 ZINC000004331334 210173285 /nfs/dbraw/zinc/17/32/85/210173285.db2.gz BVDPMDQPXLUSBQ-UHFFFAOYSA-N 0 0 346.839 4.909 50 0 EJAARN O=C(Nc1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000004321829 210170197 /nfs/dbraw/zinc/17/01/97/210170197.db2.gz QBJMRSCAECWAKC-UHFFFAOYSA-N 0 0 334.257 4.604 50 0 EJAARN Cc1nc(Nc2ccc(C)cc2)sc1C(=O)Nc1cccc(F)c1 ZINC000065184791 214840319 /nfs/dbraw/zinc/84/03/19/214840319.db2.gz SWFGZUMFSNUBGZ-UHFFFAOYSA-N 0 0 341.411 4.895 50 0 EJAARN O=C(Nc1ccsc1-c1nnc(C2CC2)o1)c1ccccc1Cl ZINC000065218678 214845285 /nfs/dbraw/zinc/84/52/85/214845285.db2.gz VBFZQCDAINUHCM-UHFFFAOYSA-N 0 0 345.811 4.581 50 0 EJAARN COc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)sn2)cc1 ZINC000065233097 214848854 /nfs/dbraw/zinc/84/88/54/214848854.db2.gz GWLGJQBVNAGFRC-UHFFFAOYSA-N 0 0 344.823 4.724 50 0 EJAARN O=C(c1ccco1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000004302261 210163171 /nfs/dbraw/zinc/16/31/71/210163171.db2.gz ULJCZWDQKOAOPP-OAHLLOKOSA-N 0 0 340.766 4.518 50 0 EJAARN CN(C(=O)Oc1ccc(C(=O)c2ccccc2)cc1)c1ccccc1 ZINC000004294181 210162719 /nfs/dbraw/zinc/16/27/19/210162719.db2.gz ZOMKLEROOLDRCF-UHFFFAOYSA-N 0 0 331.371 4.553 50 0 EJAARN O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccc(Cl)s1 ZINC000004224074 210147203 /nfs/dbraw/zinc/14/72/03/210147203.db2.gz KYVAQSIYXMNRIM-UHFFFAOYSA-N 0 0 348.836 4.670 50 0 EJAARN COc1ccc([C@H]2CCCCCN2C(=O)NCc2ccccc2)cc1 ZINC000008944044 201764665 /nfs/dbraw/zinc/76/46/65/201764665.db2.gz KQYQLWNCVHTEMH-HXUWFJFHSA-N 0 0 338.451 4.522 50 0 EJAARN CC(=O)Nc1ccc(-c2nc(NC3CCCCC3)sc2C)cc1 ZINC000008986905 201766125 /nfs/dbraw/zinc/76/61/25/201766125.db2.gz CHWPBXANQDZPAD-UHFFFAOYSA-N 0 0 329.469 4.822 50 0 EJAARN O=C(Nc1nc(-c2cccs2)cs1)c1ccc(Cl)s1 ZINC000004176513 210140568 /nfs/dbraw/zinc/14/05/68/210140568.db2.gz VTEPOGJTRWTCPH-UHFFFAOYSA-N 0 0 326.855 4.839 50 0 aggregator EJAARN O=C(Nc1ccccc1)c1oc2ccccc2c1NC(=O)C1CCCC1 ZINC000004162424 210135731 /nfs/dbraw/zinc/13/57/31/210135731.db2.gz UCCOTGQYKSXRKE-UHFFFAOYSA-N 0 0 348.402 4.814 50 0 EJAARN C[C@@H](c1cccs1)N(C)C(=O)c1cc(-c2ccccc2Cl)on1 ZINC000047455087 213850949 /nfs/dbraw/zinc/85/09/49/213850949.db2.gz YGACNNRSYWMQJU-NSHDSACASA-N 0 0 346.839 4.890 50 0 EJAARN CC(=O)N(C)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 ZINC000065492543 214932011 /nfs/dbraw/zinc/93/20/11/214932011.db2.gz VQBRKRBEOVOGAW-UHFFFAOYSA-N 0 0 344.414 4.589 50 0 EJAARN O=C(/C=C/c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 ZINC000010885139 201803618 /nfs/dbraw/zinc/80/36/18/201803618.db2.gz CLYHEFAWOKYQDL-DUXPYHPUSA-N 0 0 338.259 4.653 50 0 EJAARN CCCCC(=O)Nc1c2ccccc2oc1C(=O)Nc1ccccc1 ZINC000004148152 210132763 /nfs/dbraw/zinc/13/27/63/210132763.db2.gz HTDYSRSBCFOAQO-UHFFFAOYSA-N 0 0 336.391 4.814 50 0 EJAARN CCc1cc2c(ncnc2SCC(=O)c2ccc(C)cc2)s1 ZINC000004144217 210131817 /nfs/dbraw/zinc/13/18/17/210131817.db2.gz ORNASBUGIMSYOU-UHFFFAOYSA-N 0 0 328.462 4.537 50 0 EJAARN C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C)c1ccccc1 ZINC000004138449 210129336 /nfs/dbraw/zinc/12/93/36/210129336.db2.gz QCDWGWKUHJMUQD-ZDUSSCGKSA-N 0 0 334.448 4.817 50 0 EJAARN Cc1ccc(NC(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc1 ZINC000004138300 210128924 /nfs/dbraw/zinc/12/89/24/210128924.db2.gz BDTBQDBFRTYLSB-UHFFFAOYSA-N 0 0 333.435 4.677 50 0 EJAARN O=C1C[C@@H](c2cccc(OCc3ccccc3)c2)c2sccc2N1 ZINC000012376558 201842040 /nfs/dbraw/zinc/84/20/40/201842040.db2.gz XJQZOYYOGIKBEM-KRWDZBQOSA-N 0 0 335.428 4.801 50 0 EJAARN C[C@@H](NC(=O)c1sc2cc(Cl)ccc2c1Cl)[C@@H]1CCCO1 ZINC000012383293 201842245 /nfs/dbraw/zinc/84/22/45/201842245.db2.gz AWBAUQCKEMTDQV-KCJUWKMLSA-N 0 0 344.263 4.505 50 0 EJAARN c1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccccc2)cc1 ZINC000012403947 201844998 /nfs/dbraw/zinc/84/49/98/201844998.db2.gz GWMCPCJSFNYUTI-IRLDBZIGSA-N 0 0 326.399 4.929 50 0 EJAARN Cc1ccc(S[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)c(C)c1 ZINC000012475444 201849727 /nfs/dbraw/zinc/84/97/27/201849727.db2.gz YIQBFASMPGVTKT-GOSISDBHSA-N 0 0 329.440 4.555 50 0 EJAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000004113236 210123011 /nfs/dbraw/zinc/12/30/11/210123011.db2.gz YXPZCKQOHCYWJJ-QGZVFWFLSA-N 0 0 338.432 4.606 50 0 EJAARN CCCSc1nnc(NC(=O)c2cc(Cl)ccc2Cl)s1 ZINC000004086632 210115820 /nfs/dbraw/zinc/11/58/20/210115820.db2.gz BQCZGYULSROJQZ-UHFFFAOYSA-N 0 0 348.280 4.599 50 0 EJAARN CC(C)Sc1nnc(NC(=O)c2cc(Cl)ccc2Cl)s1 ZINC000004086633 210116844 /nfs/dbraw/zinc/11/68/44/210116844.db2.gz YUZXWPSYCGIHJJ-UHFFFAOYSA-N 0 0 348.280 4.598 50 0 EJAARN CC[C@H](C)NC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 ZINC000012918218 201875355 /nfs/dbraw/zinc/87/53/55/201875355.db2.gz AXBIWEJLRJTPRP-ZDUSSCGKSA-N 0 0 338.382 4.676 50 0 EJAARN Cc1ccc(-c2csc(NC(=O)c3c(F)cccc3F)n2)c(C)c1 ZINC000004071277 210113403 /nfs/dbraw/zinc/11/34/03/210113403.db2.gz YKPKTXDOLNYCBS-UHFFFAOYSA-N 0 0 344.386 4.957 50 0 EJAARN Cc1sc(NC(=O)CCOc2ccccc2)nc1-c1ccccc1 ZINC000004076610 210113192 /nfs/dbraw/zinc/11/31/92/210113192.db2.gz OFJSOABSBYJZPI-UHFFFAOYSA-N 0 0 338.432 4.526 50 0 EJAARN O=C(Nc1nc2c(ccc3ccccc23)s1)c1c(F)cccc1F ZINC000004071283 210113010 /nfs/dbraw/zinc/11/30/10/210113010.db2.gz UNIFVYXFUWQKFC-UHFFFAOYSA-N 0 0 340.354 4.980 50 0 EJAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)C2CCCCC2)cs1 ZINC000012977552 201878969 /nfs/dbraw/zinc/87/89/69/201878969.db2.gz XEVHMNFFQRXVPV-UHFFFAOYSA-N 0 0 326.465 4.588 50 0 EJAARN Cc1nc(-c2ccsc2)sc1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000012974222 201879240 /nfs/dbraw/zinc/87/92/40/201879240.db2.gz KYEQIYGXGBYEKD-JTQLQIEISA-N 0 0 346.452 4.810 50 0 EJAARN Cc1ccccc1/C=C/C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000013002091 201881216 /nfs/dbraw/zinc/88/12/16/201881216.db2.gz BJNKCUUHULWUNG-QFQMRYFISA-N 0 0 348.471 4.982 50 0 EJAARN CCn1cc(SCC(=O)Nc2ccc(F)cc2F)c2ccccc21 ZINC000004060520 210110649 /nfs/dbraw/zinc/11/06/49/210110649.db2.gz IWIRXASWFUIMCH-UHFFFAOYSA-N 0 0 346.402 4.670 50 0 EJAARN Cc1cc(C(=O)Nc2ccc(-c3nc(C)c(C)o3)cc2)c(C)n1C1CC1 ZINC000065811107 214996104 /nfs/dbraw/zinc/99/61/04/214996104.db2.gz OQOBMWPAIPZUPI-UHFFFAOYSA-N 0 0 349.434 4.964 50 0 EJAARN COc1ccc2nc(Nc3ccc4nc(C)sc4c3)sc2c1 ZINC000004061288 210109964 /nfs/dbraw/zinc/10/99/64/210109964.db2.gz VUXRYPSXAOHOLR-UHFFFAOYSA-N 0 0 327.434 4.967 50 0 EJAARN Cc1ccc(-c2ccc(OCC(=O)OCc3ccccc3)cc2)cc1 ZINC000004056228 210109250 /nfs/dbraw/zinc/10/92/50/210109250.db2.gz WAZSZXRYNUKFQD-UHFFFAOYSA-N 0 0 332.399 4.784 50 0 EJAARN CCc1ccc(CSc2nnc(-c3ccc(OC)cc3)o2)cc1 ZINC000004050260 210107870 /nfs/dbraw/zinc/10/78/70/210107870.db2.gz DNDCFGQRMBUHGH-UHFFFAOYSA-N 0 0 326.421 4.600 50 0 EJAARN CCCC(CCC)C(=O)Nc1cccc(-c2cn3cccnc3n2)c1 ZINC000004032997 210104241 /nfs/dbraw/zinc/10/42/41/210104241.db2.gz MYYHDBSLGBIFHG-UHFFFAOYSA-N 0 0 336.439 4.551 50 0 EJAARN O=C(CCc1ccccc1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000004034031 210104665 /nfs/dbraw/zinc/10/46/65/210104665.db2.gz KEOJEKMHIKXMRH-UHFFFAOYSA-N 0 0 341.414 4.801 50 0 EJAARN Cn1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCCC4)c2ccccc21 ZINC000004006273 210099241 /nfs/dbraw/zinc/09/92/41/210099241.db2.gz MNKCRVFCVZMIMS-KRWDZBQOSA-N 0 0 337.448 4.548 50 0 EJAARN Fc1ccc(CSc2nccn3nc(-c4cccs4)cc23)cc1 ZINC000045925297 213766116 /nfs/dbraw/zinc/76/61/16/213766116.db2.gz GWGFHVVBAHMDOH-UHFFFAOYSA-N 0 0 341.436 4.889 50 0 EJAARN CCCCOC(=O)c1nc2ccccc2nc1N[C@H](C)c1ccccc1 ZINC000045901556 213765197 /nfs/dbraw/zinc/76/51/97/213765197.db2.gz HTKRVYLYOCSTAS-OAHLLOKOSA-N 0 0 349.434 4.760 50 0 EJAARN Cc1ccc(/C=C/c2nc(Cc3c(F)cccc3Cl)no2)cc1 ZINC000003913245 210094165 /nfs/dbraw/zinc/09/41/65/210094165.db2.gz RGILFVCBDXMVOV-MDZDMXLPSA-N 0 0 328.774 4.932 50 0 EJAARN CSc1ccc(-c2[nH]c3ncnn3c2Nc2c(C)cccc2C)cc1 ZINC000003910004 210092135 /nfs/dbraw/zinc/09/21/35/210092135.db2.gz ZADHZSXHRDXREL-UHFFFAOYSA-N 0 0 349.463 4.807 50 0 EJAARN Cc1cccc(C(=O)Nc2c(-c3ccccc3)nc3ccccn32)c1 ZINC000003906484 210090290 /nfs/dbraw/zinc/09/02/90/210090290.db2.gz ZWLSSAZDXDXOMH-UHFFFAOYSA-N 0 0 327.387 4.562 50 0 EJAARN COc1ccc(Oc2ccc(Cl)cc2NC(=O)C2CCC2)cc1 ZINC000014139696 201927770 /nfs/dbraw/zinc/92/77/70/201927770.db2.gz PXOGCQKJXXTOTO-UHFFFAOYSA-N 0 0 331.799 4.880 50 0 EJAARN CSc1ccc(-c2nc3cnccn3c2Nc2ccccc2)cc1 ZINC000003896538 210086901 /nfs/dbraw/zinc/08/69/01/210086901.db2.gz JSZUBKYPUGJBID-UHFFFAOYSA-N 0 0 332.432 4.862 50 0 EJAARN Cc1ccc(Nc2c(-c3ccc(N(C)C)cc3)nc3cnccn32)cc1 ZINC000003896513 210086724 /nfs/dbraw/zinc/08/67/24/210086724.db2.gz FPCJFTKKTCGJJT-UHFFFAOYSA-N 0 0 343.434 4.514 50 0 EJAARN O=C(NCCSc1c[nH]c2ccccc12)c1cccc2ccccc21 ZINC000003896123 210086112 /nfs/dbraw/zinc/08/61/12/210086112.db2.gz XJCLHNSJAHOPDX-UHFFFAOYSA-N 0 0 346.455 4.843 50 0 EJAARN Cc1ccccc1NC[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000003893659 210084844 /nfs/dbraw/zinc/08/48/44/210084844.db2.gz ILHMWIUXYRUUHN-QGZVFWFLSA-N 0 0 330.431 4.576 50 0 EJAARN Cc1c(OCc2ccccc2Cl)ccc2c3c(c(=O)oc12)CCC3 ZINC000003893161 210084449 /nfs/dbraw/zinc/08/44/49/210084449.db2.gz RIVZYTDAHKKVRR-UHFFFAOYSA-N 0 0 340.806 4.823 50 0 EJAARN COc1ccc(C=C2c3ccccc3C(=O)c3ccccc32)cc1O ZINC000003816587 210077096 /nfs/dbraw/zinc/07/70/96/210077096.db2.gz MQLACMBJVPINKE-UHFFFAOYSA-N 0 0 328.367 4.534 50 0 EJAARN O=[S@](Cc1coc(-c2cccc(Cl)c2)n1)Cc1ccccc1F ZINC000066299842 215032444 /nfs/dbraw/zinc/03/24/44/215032444.db2.gz VIYIBZGGTGMFSF-HSZRJFAPSA-N 0 0 349.814 4.583 50 0 EJAARN CCCCC(=O)Nc1c2ccccc2oc1C(=O)c1ccc(F)cc1 ZINC000003655544 210072256 /nfs/dbraw/zinc/07/22/56/210072256.db2.gz HPEIUWCTIPYRKJ-UHFFFAOYSA-N 0 0 339.366 4.932 50 0 EJAARN Cc1cccc([C@@H](CC(=O)NC2CCCCC2)c2ccccc2)c1O ZINC000003628039 210069461 /nfs/dbraw/zinc/06/94/61/210069461.db2.gz SDFNAEZSSRFFAV-FQEVSTJZSA-N 0 0 337.463 4.672 50 0 EJAARN O=C1Cc2c3cc(OCc4ccccc4)ccc3[nH]c2[C@H]2CC=CC[C@H]12 ZINC000045303139 213723339 /nfs/dbraw/zinc/72/33/39/213723339.db2.gz ZSRBXTYDRKHHDB-ROUUACIJSA-N 0 0 343.426 4.922 50 0 EJAARN O=C(OCC(=O)c1ccc(F)cc1)c1sc2ccccc2c1Cl ZINC000003621926 210066966 /nfs/dbraw/zinc/06/69/66/210066966.db2.gz WOXBYUZOZSGIDQ-UHFFFAOYSA-N 0 0 348.782 4.734 50 0 EJAARN O=C(Cc1ccc(Cl)c(Cl)c1)N[C@@H]1CCCc2ccccc21 ZINC000003608527 210064620 /nfs/dbraw/zinc/06/46/20/210064620.db2.gz BXMURUVPQAFJKM-QGZVFWFLSA-N 0 0 334.246 4.730 50 0 EJAARN CSc1cccc(NC(=O)Cc2c(Cl)cccc2Cl)c1 ZINC000003548797 210051334 /nfs/dbraw/zinc/05/13/34/210051334.db2.gz DLNXEBMMOVPHAG-UHFFFAOYSA-N 0 0 326.248 4.897 50 0 EJAARN CC(C)c1ccc(C2=Nc3ncnn3[C@H](c3ccc(F)cc3)C2)cc1 ZINC000102568318 219210855 /nfs/dbraw/zinc/21/08/55/219210855.db2.gz KURCSJHFHPAARB-IBGZPJMESA-N 0 0 334.398 4.597 50 0 EJAARN Cc1ccsc1[C@H]1SCC(=O)Nc2c1cnn2-c1ccccc1 ZINC000044919927 213675754 /nfs/dbraw/zinc/67/57/54/213675754.db2.gz YSACLSZFLZCJKI-INIZCTEOSA-N 0 0 341.461 4.666 50 0 EJAARN CC(C)Sc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 ZINC000003441612 210040533 /nfs/dbraw/zinc/04/05/33/210040533.db2.gz BWPBKTJHARYWFN-UHFFFAOYSA-N 0 0 330.840 4.540 50 0 EJAARN O=C(Cc1ccc(Cl)c(Cl)c1)NCCc1ccc(Cl)cc1 ZINC000003435809 210039230 /nfs/dbraw/zinc/03/92/30/210039230.db2.gz VQTAEXYBHHBKMZ-UHFFFAOYSA-N 0 0 342.653 4.548 50 0 EJAARN Cc1ccc2c(CC(=O)N(C)Cc3ccccc3Cl)coc2c1 ZINC000003421827 210034371 /nfs/dbraw/zinc/03/43/71/210034371.db2.gz HQEZBIOAUBJPJI-UHFFFAOYSA-N 0 0 327.811 4.596 50 0 EJAARN CC(=O)c1cccc(NC(=O)C2c3ccccc3-c3ccccc32)c1 ZINC000003422095 210034055 /nfs/dbraw/zinc/03/40/55/210034055.db2.gz NIQUEUWKIDXHMQ-UHFFFAOYSA-N 0 0 327.383 4.640 50 0 EJAARN Cc1ccc2c(C)cc(SCC(=O)Nc3cccc(F)c3)nc2c1 ZINC000003417558 210033948 /nfs/dbraw/zinc/03/39/48/210033948.db2.gz PKCGTHPQLMXWNP-UHFFFAOYSA-N 0 0 340.423 4.722 50 0 EJAARN CCOc1cc(C(=O)Nc2ccc(F)cc2)ccc1OCC(C)C ZINC000003429507 210037572 /nfs/dbraw/zinc/03/75/72/210037572.db2.gz VSVGZXNMQCDMAN-UHFFFAOYSA-N 0 0 331.387 4.512 50 0 EJAARN CCOc1ccc2nc(NC(=O)c3ccccc3SC)sc2c1 ZINC000003429510 210037635 /nfs/dbraw/zinc/03/76/35/210037635.db2.gz JPAQUYUEOBUCFW-UHFFFAOYSA-N 0 0 344.461 4.669 50 0 EJAARN C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCCc2ccccc21 ZINC000003404651 210030245 /nfs/dbraw/zinc/03/02/45/210030245.db2.gz UKSALCBLKMSGRB-GFCCVEGCSA-N 0 0 349.261 4.773 50 0 EJAARN CN(Cc1cccs1)C(=S)Nc1cccc(C(F)(F)F)c1 ZINC000003407598 210029283 /nfs/dbraw/zinc/02/92/83/210029283.db2.gz OTTIAGKCYRYXEN-UHFFFAOYSA-N 0 0 330.400 4.596 50 0 EJAARN O=C(CNc1ccc(F)c(Cl)c1)Nc1cccc2ccccc21 ZINC000003398447 210028963 /nfs/dbraw/zinc/02/89/63/210028963.db2.gz UQOLSDAHLDGLQJ-UHFFFAOYSA-N 0 0 328.774 4.683 50 0 EJAARN CSc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)CCC3)cc1 ZINC000102718928 219224088 /nfs/dbraw/zinc/22/40/88/219224088.db2.gz NRMAFGQFCVSLNO-INIZCTEOSA-N 0 0 326.421 4.919 50 0 EJAARN COc1ccc(C(=O)COc2ccc(-c3ccccc3)cc2)cc1OC ZINC000003364000 210018760 /nfs/dbraw/zinc/01/87/60/210018760.db2.gz OXUPCMCRQNFYSF-UHFFFAOYSA-N 0 0 348.398 4.633 50 0 EJAARN Cc1ccc(/C=C/C(=O)Nc2nc(-c3cccs3)cs2)cc1 ZINC000003357095 210017299 /nfs/dbraw/zinc/01/72/99/210017299.db2.gz BIHNZXMYKCEKGP-CMDGGOBGSA-N 0 0 326.446 4.832 50 0 EJAARN Cc1ccc(NC(=S)NCCNc2cccc3ccccc32)cc1 ZINC000003356267 210016079 /nfs/dbraw/zinc/01/60/79/210016079.db2.gz QZOGYARLJKPZNR-UHFFFAOYSA-N 0 0 335.476 4.547 50 0 EJAARN CCOc1ccccc1C(=O)Nc1cc(C(C)(C)C)ccc1OC ZINC000003347447 210014812 /nfs/dbraw/zinc/01/48/12/210014812.db2.gz XDMSVDKXLYSRFV-UHFFFAOYSA-N 0 0 327.424 4.644 50 0 EJAARN CCOc1ccc(NC(=O)c2oc3ccccc3c2C)cc1OCC ZINC000003341712 210013572 /nfs/dbraw/zinc/01/35/72/210013572.db2.gz FFFJXJICUQYILM-UHFFFAOYSA-N 0 0 339.391 4.791 50 0 EJAARN Cc1csc(N(C(=O)c2ccc(F)cc2F)c2ccccc2)n1 ZINC000003325863 210008250 /nfs/dbraw/zinc/00/82/50/210008250.db2.gz MBGJDUBILBFFOY-UHFFFAOYSA-N 0 0 330.359 4.708 50 0 EJAARN CN(C(=O)CSc1nc(-c2ccccc2)cs1)c1ccccc1 ZINC000003327608 210008320 /nfs/dbraw/zinc/00/83/20/210008320.db2.gz UMQQVLWZEXVZCJ-UHFFFAOYSA-N 0 0 340.473 4.565 50 0 EJAARN Cc1ccc(F)cc1NC(=O)COc1ccccc1Cc1ccccc1 ZINC000003323385 210007197 /nfs/dbraw/zinc/00/71/97/210007197.db2.gz BXCIGCHLZOWJOA-UHFFFAOYSA-N 0 0 349.405 4.742 50 0 EJAARN Cc1cccc(NC(=S)N(C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000003338592 210012384 /nfs/dbraw/zinc/01/23/84/210012384.db2.gz VFGBKKLOKKZWRQ-UHFFFAOYSA-N 0 0 338.398 4.843 50 0 EJAARN C[C@@H](Nc1ccc2c(c1)-c1ccccc1C2)C(=O)NCC1CCCCC1 ZINC000003336992 210011637 /nfs/dbraw/zinc/01/16/37/210011637.db2.gz DWVLGEBMMQLBQB-MRXNPFEDSA-N 0 0 348.490 4.755 50 0 EJAARN CC(C)Sc1nnc(-c2ccccc2F)n1Cc1ccccc1 ZINC000003334100 210011121 /nfs/dbraw/zinc/01/11/21/210011121.db2.gz CRQNOXWONKUBLK-UHFFFAOYSA-N 0 0 327.428 4.633 50 0 EJAARN C[C@@H](NC(=S)Nc1ccc2oc(C3CC3)nc2c1)c1ccccc1 ZINC000044075208 213608099 /nfs/dbraw/zinc/60/80/99/213608099.db2.gz CVPPOMKZMWOUJU-GFCCVEGCSA-N 0 0 337.448 4.753 50 0 EJAARN O=C(NC1CCCCC1)c1ccc(-c2nc3ccccc3s2)o1 ZINC000003330853 210009834 /nfs/dbraw/zinc/00/98/34/210009834.db2.gz MNLGQXHHVZEKMH-UHFFFAOYSA-N 0 0 326.421 4.619 50 0 EJAARN CCOc1ccc2oc(C(=O)N3CCCc4ccccc43)c(C)c2c1 ZINC000003305963 210001631 /nfs/dbraw/zinc/00/16/31/210001631.db2.gz ZUJKZDCVHVOXRZ-UHFFFAOYSA-N 0 0 335.403 4.733 50 0 EJAARN Fc1ccccc1Nc1nnc(SCCOc2ccccc2)s1 ZINC000003317638 210005987 /nfs/dbraw/zinc/00/59/87/210005987.db2.gz ARRNQZRJAKLZRZ-UHFFFAOYSA-N 0 0 347.440 4.592 50 0 EJAARN CCC(=O)Nc1ccc([C@@H](C)NCc2csc(C(C)(C)C)n2)cc1 ZINC000067186613 215121623 /nfs/dbraw/zinc/12/16/23/215121623.db2.gz GSXHZQZWSMEOBD-CYBMUJFWSA-N 0 0 345.512 4.640 50 0 EJAARN CCOC(=O)c1c(CC)c(C)sc1NC(=O)OCc1ccccc1 ZINC000003313624 210004994 /nfs/dbraw/zinc/00/49/94/210004994.db2.gz YDXFWCIMYGHFDZ-UHFFFAOYSA-N 0 0 347.436 4.544 50 0 EJAARN Cc1ccc2nc(NC(=O)c3ccc(C(F)(F)F)cc3)sc2c1 ZINC000003314231 210004429 /nfs/dbraw/zinc/00/44/29/210004429.db2.gz PKJGODZJGNFISD-UHFFFAOYSA-N 0 0 336.338 4.876 50 0 EJAARN Cc1ccc(CSc2nc3ccsc3c(=O)n2C2CC2)cc1C ZINC000067259745 215128928 /nfs/dbraw/zinc/12/89/28/215128928.db2.gz UMUOUBZIDKQYDI-UHFFFAOYSA-N 0 0 342.489 4.702 50 0 EJAARN CCCCCCOc1ccc(C(=O)c2ccccc2OC(C)=O)cc1 ZINC000043209786 213567838 /nfs/dbraw/zinc/56/78/38/213567838.db2.gz DLSRCGJXAXNIGB-UHFFFAOYSA-N 0 0 340.419 4.802 50 0 EJAARN Cc1cc(C(=O)OCc2cccc(C(F)(F)F)c2)c2ccccc2n1 ZINC000003247918 209987322 /nfs/dbraw/zinc/98/73/22/209987322.db2.gz ZMIWRCYAIFSBIN-UHFFFAOYSA-N 0 0 345.320 4.919 50 0 EJAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(F)cc2)o1 ZINC000103013038 219248508 /nfs/dbraw/zinc/24/85/08/219248508.db2.gz FKLZLVMZAXCPPU-RXVVDRJESA-N 0 0 348.377 4.969 50 0 EJAARN Cc1ccc(-c2nc(CN3CCCC[C@H]3c3cccnc3)c(C)o2)o1 ZINC000067514586 215157104 /nfs/dbraw/zinc/15/71/04/215157104.db2.gz ATRYBZXWQSRUJA-SFHVURJKSA-N 0 0 337.423 4.674 50 0 EJAARN COP(=O)(OC)O/C(=C\Cl)c1ccc(Cl)cc1Cl ZINC000043068330 213555658 /nfs/dbraw/zinc/55/56/58/213555658.db2.gz QSGNQELHULIMSJ-POHAHGRESA-N 0 0 331.519 4.948 50 0 EJAARN COc1cccc(NC(=O)N2CCCCC[C@H]2c2cccs2)c1 ZINC000015866962 201967564 /nfs/dbraw/zinc/96/75/64/201967564.db2.gz FMNVAFDAVHJWJG-INIZCTEOSA-N 0 0 330.453 4.906 50 0 EJAARN c1cc2c(cccc2Cn2cnc(-c3ccccc3)c2[C@@H]2CCOC2)[nH]1 ZINC000067491084 215154619 /nfs/dbraw/zinc/15/46/19/215154619.db2.gz CUELVOUZLNTZAR-GOSISDBHSA-N 0 0 343.430 4.584 50 0 EJAARN C[C@H]1CCC[C@H](C)N1C(=O)COc1cccc(Oc2ccccc2)c1 ZINC000003165449 209972602 /nfs/dbraw/zinc/97/26/02/209972602.db2.gz STBJUXCACVGHIK-IRXDYDNUSA-N 0 0 339.435 4.647 50 0 EJAARN COc1ccc(SCC(O)(c2ccccc2)c2ccccc2)cc1 ZINC000003128433 209968251 /nfs/dbraw/zinc/96/82/51/209968251.db2.gz QPZHHNSKPQZKLP-UHFFFAOYSA-N 0 0 336.456 4.723 50 0 EJAARN Cc1ccc2[nH]c(-c3ccccc3OCCCCn3ccnc3)nc2c1 ZINC000067727358 215197801 /nfs/dbraw/zinc/19/78/01/215197801.db2.gz SAEBBZALVWLDPA-UHFFFAOYSA-N 0 0 346.434 4.594 50 0 EJAARN O=C(/C=C/c1ccc(F)cc1)NCCSCc1cccc(Cl)c1 ZINC000002979464 209949794 /nfs/dbraw/zinc/94/97/94/209949794.db2.gz OHXUZEDMEHVAQU-RMKNXTFCSA-N 0 0 349.858 4.542 50 0 EJAARN Cc1cccc(C(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)c1 ZINC000002961331 209945919 /nfs/dbraw/zinc/94/59/19/209945919.db2.gz SIALCLNBZBNMGC-UHFFFAOYSA-N 0 0 345.427 4.919 50 0 EJAARN CC(C)c1ccc([C@H]2C[C@@H](c3ccccc3F)n3ncnc3N2)cc1 ZINC000002919352 209942201 /nfs/dbraw/zinc/94/22/01/209942201.db2.gz DMBFUBXVFKVCHG-MOPGFXCFSA-N 0 0 336.414 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332.856 4.955 50 0 EJAARN O=C1OC(c2ccco2)=N/C1=C/c1ccc2oc3ccccc3c2c1 ZINC000002355016 209842263 /nfs/dbraw/zinc/84/22/63/209842263.db2.gz RBOUNWZQAYOGBY-RVDMUPIBSA-N 0 0 329.311 4.524 50 0 EJAARN CCCCn1c(=O)c2c([nH]c1=S)-c1ccccc1CC21CCCC1 ZINC000002322339 209840216 /nfs/dbraw/zinc/84/02/16/209840216.db2.gz UCNPQOVCIYYBEI-UHFFFAOYSA-N 0 0 340.492 4.741 50 0 EJAARN CCCSc1nc(SC)nc2sc3c(c21)CC(C)(C)OC3 ZINC000002215703 209830811 /nfs/dbraw/zinc/83/08/11/209830811.db2.gz JOFRZONGKIJVOX-UHFFFAOYSA-N 0 0 340.539 4.767 50 0 EJAARN Cc1nc2c3c(ncn2n1)oc(-c1ccccc1)c3-c1ccccc1 ZINC000002205726 209830602 /nfs/dbraw/zinc/83/06/02/209830602.db2.gz VCXZUCYUBMBQHQ-UHFFFAOYSA-N 0 0 326.359 4.513 50 0 EJAARN COc1ccc2cc([C@@H](C)C(=O)NCc3ccc(C)cc3)ccc2c1 ZINC000068755544 215330782 /nfs/dbraw/zinc/33/07/82/215330782.db2.gz HTOSSTCZJJSNAT-MRXNPFEDSA-N 0 0 333.431 4.577 50 0 EJAARN COc1ccccc1[C@@H]1CCCN1C(=O)c1sc(C(C)C)nc1C ZINC000068807073 215335670 /nfs/dbraw/zinc/33/56/70/215335670.db2.gz KZZDYBUGNLOELG-HNNXBMFYSA-N 0 0 344.480 4.561 50 0 EJAARN CC(C)(C)c1ccc(NC(=O)CSc2nc3ccccc3o2)cc1 ZINC000002158140 209824811 /nfs/dbraw/zinc/82/48/11/209824811.db2.gz SMDCJDYDZMFCIT-UHFFFAOYSA-N 0 0 340.448 4.856 50 0 EJAARN CC[C@@]1(C)C[C@](CCN(Cc2ccco2)C(C)=O)(C(C)C)CCO1 ZINC000002110867 209821003 /nfs/dbraw/zinc/82/10/03/209821003.db2.gz WECPRHUTBOEXOM-VQTJNVASSA-N 0 0 335.488 4.640 50 0 biogenic EJAARN O=C(/C=C/c1cccs1)Nc1nc(-c2ccc(F)cc2F)cs1 ZINC000002091419 209819414 /nfs/dbraw/zinc/81/94/14/209819414.db2.gz IKODKFFSCCIADJ-GQCTYLIASA-N 0 0 348.399 4.802 50 0 EJAARN CCOc1ccc(NC(=O)CCCOc2ccc(Cl)cc2C)cc1 ZINC000002080168 209818017 /nfs/dbraw/zinc/81/80/17/209818017.db2.gz NKSPENOCUAWXFC-UHFFFAOYSA-N 0 0 347.842 4.845 50 0 EJAARN CCCCOC(=O)c1ccc(OC(=O)c2ccccc2Cl)cc1 ZINC000002065832 209816382 /nfs/dbraw/zinc/81/63/82/209816382.db2.gz WGARXYZPILEASD-UHFFFAOYSA-N 0 0 332.783 4.516 50 0 EJAARN CCCCOC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000001909424 209805404 /nfs/dbraw/zinc/80/54/04/209805404.db2.gz HLCMGLKAPHWCOC-UHFFFAOYSA-N 0 0 331.799 4.549 50 0 EJAARN CCCCC(=O)c1ccc(OC(=O)/C=C/c2ccc(OC)cc2)cc1 ZINC000001919886 209805205 /nfs/dbraw/zinc/80/52/05/209805205.db2.gz CYVUVFHTPRIRFJ-OVCLIPMQSA-N 0 0 338.403 4.687 50 0 biogenic EJAARN O=C(Nc1cccc(Cl)c1)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000040478269 213313781 /nfs/dbraw/zinc/31/37/81/213313781.db2.gz WGDYFJZVLXNREC-UHFFFAOYSA-N 0 0 332.190 4.636 50 0 EJAARN c1ccc2oc(Sc3nnc(NC4CCCCC4)s3)nc2c1 ZINC000069455446 215427019 /nfs/dbraw/zinc/42/70/19/215427019.db2.gz CPMNNYZDLDDHKS-UHFFFAOYSA-N 0 0 332.454 4.575 50 0 EJAARN CC(C)[C@@H](NCc1nnc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000040466365 213309621 /nfs/dbraw/zinc/30/96/21/213309621.db2.gz SHWWQBLVGRQFTH-GOSISDBHSA-N 0 0 341.842 4.877 50 0 EJAARN CCCCN1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000001737030 209789057 /nfs/dbraw/zinc/78/90/57/209789057.db2.gz FEUPZKQRLZAQLP-UHFFFAOYSA-N 0 0 341.021 4.696 50 0 EJAARN O=C(Nc1ccc(Oc2nc3ccccc3o2)cc1)c1cccs1 ZINC000040153378 213275113 /nfs/dbraw/zinc/27/51/13/213275113.db2.gz UVXKVIQHLUUGPG-UHFFFAOYSA-N 0 0 336.372 4.934 50 0 EJAARN CCc1ccc(-c2csc(NC(=O)c3scnc3Cl)n2)cc1 ZINC000040146524 213273110 /nfs/dbraw/zinc/27/31/10/213273110.db2.gz GYLUQVKTDALGNL-UHFFFAOYSA-N 0 0 349.868 4.735 50 0 EJAARN O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000040134522 213271313 /nfs/dbraw/zinc/27/13/13/213271313.db2.gz BHVLVJYKEAOAQT-OFQRWUPVSA-N 0 0 325.374 4.549 50 0 EJAARN O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1ccsc1 ZINC000040110772 213267644 /nfs/dbraw/zinc/26/76/44/213267644.db2.gz CRDPEZZHXLEBBG-UHFFFAOYSA-N 0 0 346.427 4.658 50 0 EJAARN O=C(c1csc(-c2cccs2)n1)N1CCC[C@@H]1c1ccsc1 ZINC000040107735 213266734 /nfs/dbraw/zinc/26/67/34/213266734.db2.gz UQKGLBCJFZDEKL-CYBMUJFWSA-N 0 0 346.502 4.910 50 0 EJAARN COc1ccc(NC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)cc1 ZINC000040118803 213268807 /nfs/dbraw/zinc/26/88/07/213268807.db2.gz ZPMCKFJLQDKLOC-IBGZPJMESA-N 0 0 342.414 4.887 50 0 EJAARN COc1cc(C)c(NC(=O)N[C@@H](c2cccs2)C(C)C)cc1OC ZINC000040103455 213264640 /nfs/dbraw/zinc/26/46/40/213264640.db2.gz QRVGJMQELZXDPO-QGZVFWFLSA-N 0 0 348.468 4.593 50 0 EJAARN Cc1ccc(NC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)c(C)c1 ZINC000040095363 213264154 /nfs/dbraw/zinc/26/41/54/213264154.db2.gz PWYPLNNJQADZIP-UHFFFAOYSA-N 0 0 337.398 4.514 50 0 EJAARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)CCC1CCCCC1 ZINC000040052452 213255714 /nfs/dbraw/zinc/25/57/14/213255714.db2.gz CXICAUMRURXWFP-UHFFFAOYSA-N 0 0 349.425 4.750 50 0 EJAARN O=C(CCC(=O)c1ccc(Cl)s1)Nc1cccc2c1CCCC2 ZINC000040050423 213255460 /nfs/dbraw/zinc/25/54/60/213255460.db2.gz JQDFNKXEWQAWBI-UHFFFAOYSA-N 0 0 347.867 4.882 50 0 EJAARN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)[C@@H]1CCCc2ccccc21 ZINC000040058970 213255027 /nfs/dbraw/zinc/25/50/27/213255027.db2.gz ROTNWUTUUCIARW-SUMWQHHRSA-N 0 0 329.390 4.604 50 0 EJAARN Cc1noc(C)c1COc1ccc(/C=C/C(=O)Nc2ccccc2)cc1 ZINC000040073347 213258024 /nfs/dbraw/zinc/25/80/24/213258024.db2.gz FOTIDDZNTXBRAR-JLHYYAGUSA-N 0 0 348.402 4.522 50 0 EJAARN CC(C)c1ccc(CNc2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000019738236 202017746 /nfs/dbraw/zinc/01/77/46/202017746.db2.gz KCTIKNRQBBNLDS-NRFANRHFSA-N 0 0 325.452 4.980 50 0 EJAARN C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NCc1cccs1 ZINC000040067786 213256828 /nfs/dbraw/zinc/25/68/28/213256828.db2.gz GTJAOPYGLCQBNP-SNVBAGLBSA-N 0 0 343.279 4.958 50 0 EJAARN Cc1ccc(SCC(=O)N[C@@H](c2ccc(C)cc2)C2CC2)cc1 ZINC000040024473 213252997 /nfs/dbraw/zinc/25/29/97/213252997.db2.gz DIMREFJYYXLDAO-FQEVSTJZSA-N 0 0 325.477 4.663 50 0 EJAARN CCN(Cc1ccc(Cl)s1)Cc1nc(-c2ccsc2)no1 ZINC000039987553 213249210 /nfs/dbraw/zinc/24/92/10/213249210.db2.gz PQCKOVZUDCCVNJ-UHFFFAOYSA-N 0 0 339.873 4.535 50 0 EJAARN Cc1oc(-c2cccs2)nc1CN(C)Cc1cccc2cnccc21 ZINC000019771188 202019367 /nfs/dbraw/zinc/01/93/67/202019367.db2.gz GAZJAIKLCCXBMP-UHFFFAOYSA-N 0 0 349.459 4.892 50 0 EJAARN S=C1O[C@H]2CC3C(c4ccccc4)C(C[C@@H]2O1)C3c1ccccc1 ZINC000039381651 213235751 /nfs/dbraw/zinc/23/57/51/213235751.db2.gz BFHMZFVZCQTIBF-ASJKBXNASA-N 0 0 336.456 4.663 50 0 EJAARN Cc1nc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2nc1C ZINC000001428810 209747387 /nfs/dbraw/zinc/74/73/87/209747387.db2.gz INILYVOWVYBUCH-UHFFFAOYSA-N 0 0 345.324 4.518 50 0 EJAARN COc1ccc(C(=O)Nc2ccccc2[C@@H]2CC2(Cl)Cl)cc1 ZINC000001424766 209744999 /nfs/dbraw/zinc/74/49/99/209744999.db2.gz YNHIDRXDQADZHF-AWEZNQCLSA-N 0 0 336.218 4.609 50 0 EJAARN O=C(NCc1ccc(F)cc1)c1ccccc1CCc1ccccc1 ZINC000001066179 209707295 /nfs/dbraw/zinc/70/72/95/209707295.db2.gz ZNWVBUVZHSHYRW-UHFFFAOYSA-N 0 0 333.406 4.541 50 0 EJAARN CC(C)CN(CC(C)C)C(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000001049270 209703519 /nfs/dbraw/zinc/70/35/19/209703519.db2.gz XZHPWAMTYYUSDX-UHFFFAOYSA-N 0 0 325.880 4.638 50 0 EJAARN CN(C(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccccc1 ZINC000000621179 209684781 /nfs/dbraw/zinc/68/47/81/209684781.db2.gz WMOASEJDWZLTSH-UHFFFAOYSA-N 0 0 344.625 4.689 50 0 EJAARN COc1ccc(NC(=O)Nc2ccc(SC(F)(F)F)cc2)cc1 ZINC000000786562 209687121 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ZINC000000333029 209539035 /nfs/dbraw/zinc/53/90/35/209539035.db2.gz ILHMWIUXYRUUHN-KRWDZBQOSA-N 0 0 330.431 4.576 50 0 EJAARN Cc1c(C)c2cc(Cl)c(OC(=O)C3CCCCC3)cc2oc1=O ZINC000000316813 209532624 /nfs/dbraw/zinc/53/26/24/209532624.db2.gz VLVWTSIUDNNAKN-UHFFFAOYSA-N 0 0 334.799 4.549 50 0 EJAARN CCc1cc2c(cc1OC)oc(C)c(-c1ccccc1Cl)c2=O ZINC000000311770 209530399 /nfs/dbraw/zinc/53/03/99/209530399.db2.gz JSWZAQVDMVGLBO-UHFFFAOYSA-N 0 0 328.795 4.993 50 0 EJAARN CC(C)c1ccc(Nc2nc(Cl)nc(NCc3ccco3)n2)cc1 ZINC000000290763 209519969 /nfs/dbraw/zinc/51/99/69/209519969.db2.gz JJPQIBZEMWVFNB-UHFFFAOYSA-N 0 0 343.818 4.597 50 0 EJAARN C[C@H](NC(=O)c1c(F)cccc1Cl)c1ccc(C(F)(F)F)cc1 ZINC000030477264 212698138 /nfs/dbraw/zinc/69/81/38/212698138.db2.gz JPLYHHYVBHFLAY-VIFPVBQESA-N 0 0 345.723 4.989 50 0 EJAARN C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000000282048 209517606 /nfs/dbraw/zinc/51/76/06/209517606.db2.gz SJHXRMMNQDOTMJ-NEPJUHHUSA-N 0 0 338.234 4.638 50 0 EJAARN COc1ccc2oc(=O)c(-c3nc(-c4ccccc4)cs3)cc2c1 ZINC000000273825 209514525 /nfs/dbraw/zinc/51/45/25/209514525.db2.gz LHTHYCOMVMQMMR-UHFFFAOYSA-N 0 0 335.384 4.592 50 0 EJAARN CC(C)CN1C(=O)N(c2cccc3ccccc32)[C@@](C)(O)CC1(C)C ZINC000000262610 209510177 /nfs/dbraw/zinc/51/01/77/209510177.db2.gz CEUXGJHIPQYBHM-NRFANRHFSA-N 0 0 340.467 4.615 50 0 EJAARN COc1ccc(-c2nc(NC(=O)c3ccc(C)cc3)sc2C)cc1 ZINC000000260306 209506641 /nfs/dbraw/zinc/50/66/41/209506641.db2.gz QZUPOAMVAVHUBT-UHFFFAOYSA-N 0 0 338.432 4.688 50 0 EJAARN O=C(Nc1ccc(Cl)cc1Cl)c1ccc(Br)o1 ZINC000000246310 209502681 /nfs/dbraw/zinc/50/26/81/209502681.db2.gz WLGDEQDNCRILHR-UHFFFAOYSA-N 0 0 334.984 4.601 50 0 EJAARN O=C(NC1CCCCCCC1)c1c[nH]nc1-c1cccc(Cl)c1 ZINC000072328837 216152441 /nfs/dbraw/zinc/15/24/41/216152441.db2.gz RSNZUEZAZPWEKZ-UHFFFAOYSA-N 0 0 331.847 4.573 50 0 EJAARN O=C(NCc1ccc(F)c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000072331422 216155200 /nfs/dbraw/zinc/15/52/00/216155200.db2.gz PALQLCIYRZYJQG-UHFFFAOYSA-N 0 0 332.589 4.716 50 0 EJAARN CC(C)(C)c1ccc(C(=O)NCc2cccc(Br)c2)cc1 ZINC000072331397 216155335 /nfs/dbraw/zinc/15/53/35/216155335.db2.gz ARZOZXTVAGTNBJ-UHFFFAOYSA-N 0 0 346.268 4.677 50 0 EJAARN CC(C)(C)c1ccc(C(=O)NCc2ccc(Br)cc2)cc1 ZINC000072331398 216155423 /nfs/dbraw/zinc/15/54/23/216155423.db2.gz YQMBRMOZANWGLP-UHFFFAOYSA-N 0 0 346.268 4.677 50 0 EJAARN O=C(NCc1ccc(F)c(Cl)c1)c1ccc(Cl)cc1Cl ZINC000072331413 216155476 /nfs/dbraw/zinc/15/54/76/216155476.db2.gz XWJMKZAJFCRORS-UHFFFAOYSA-N 0 0 332.589 4.716 50 0 EJAARN CCc1ccc([C@H]2C[C@@H](c3ccccc3Cl)n3ncnc3N2)cc1 ZINC000000222525 209493783 /nfs/dbraw/zinc/49/37/83/209493783.db2.gz KSKMUZQIBDHMCL-MSOLQXFVSA-N 0 0 338.842 4.640 50 0 EJAARN CC[C@H](C)Sc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccccc1 ZINC000000214019 209488770 /nfs/dbraw/zinc/48/87/70/209488770.db2.gz WWTFNGZUGHSJNH-ZDUSSCGKSA-N 0 0 349.459 4.758 50 0 EJAARN Fc1ccc(CNc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 ZINC000000213184 209488083 /nfs/dbraw/zinc/48/80/83/209488083.db2.gz SVNVSTDRFRAKND-UHFFFAOYSA-N 0 0 347.315 4.914 50 0 EJAARN Cc1ccc(Sc2cc(C(=O)NC(C)C)c3ccccc3n2)cc1 ZINC000000212127 209487479 /nfs/dbraw/zinc/48/74/79/209487479.db2.gz GYWVXNCMLKNPSG-UHFFFAOYSA-N 0 0 336.460 4.833 50 0 EJAARN COc1ccc(-c2noc(C(C)(C)Oc3ccc(Cl)cc3)n2)cc1 ZINC000000199783 209479793 /nfs/dbraw/zinc/47/97/93/209479793.db2.gz LRYQTUYJBNARME-UHFFFAOYSA-N 0 0 344.798 4.713 50 0 EJAARN C[C@H]1CCc2nc(NC(=O)c3cccc(C(F)(F)F)c3)sc2C1 ZINC000000180479 209469300 /nfs/dbraw/zinc/46/93/00/209469300.db2.gz QVOVDPZVCIKAGT-VIFPVBQESA-N 0 0 340.370 4.539 50 0 EJAARN COc1ccc(-c2c(C)nn3c2nc(C)cc3-c2ccccc2)cc1 ZINC000000184279 209470421 /nfs/dbraw/zinc/47/04/21/209470421.db2.gz MHMXZDIZADPLOU-UHFFFAOYSA-N 0 0 329.403 4.689 50 0 EJAARN Cc1nnc(-c2cccc(N[C@@H]3CCC[C@H](C(F)(F)F)C3)c2)o1 ZINC000129533743 223066156 /nfs/dbraw/zinc/06/61/56/223066156.db2.gz NBIQNOUVORDOKF-GXTWGEPZSA-N 0 0 325.334 4.578 50 0 EJAARN COc1ccc2ccccc2c1/C=C1\N=C(c2cccc(C)c2)OC1=O ZINC000000177209 209465906 /nfs/dbraw/zinc/46/59/06/209465906.db2.gz ACBTYMGQXOEMAR-UYRXBGFRSA-N 0 0 343.382 4.501 50 0 EJAARN CC(=O)Nc1ccc(OC(=O)N(c2ccccc2)c2ccccc2)cc1 ZINC000000152063 209455392 /nfs/dbraw/zinc/45/53/92/209455392.db2.gz XZJNOPHSBFEQPV-UHFFFAOYSA-N 0 0 346.386 4.982 50 0 EJAARN CC(C)c1nnc(NC(=O)/C=C/c2c(Cl)cccc2Cl)s1 ZINC000000147118 209450910 /nfs/dbraw/zinc/45/09/10/209450910.db2.gz WINYZQILYWRRHN-VOTSOKGWSA-N 0 0 342.251 4.620 50 0 EJAARN O=C1C[C@@H](c2ccccc2Cl)c2cnn(Cc3cccs3)c2N1 ZINC000072403065 216194780 /nfs/dbraw/zinc/19/47/80/216194780.db2.gz VOWQPGMJOLDFLF-ZDUSSCGKSA-N 0 0 343.839 4.770 50 0 EJAARN O=c1oc2cc(OCc3cccc(Cl)c3)ccc2c2c1CCC2 ZINC000000119410 209434069 /nfs/dbraw/zinc/43/40/69/209434069.db2.gz QZVYSMBDMUYEDU-UHFFFAOYSA-N 0 0 326.779 4.514 50 0 EJAARN O=C(/C=C/c1ccco1)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000000134173 209442022 /nfs/dbraw/zinc/44/20/22/209442022.db2.gz FZFLCOKJOXBKQN-BQYQJAHWSA-N 0 0 344.823 4.632 50 0 EJAARN Cc1ccc(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1 ZINC000000134219 209441829 /nfs/dbraw/zinc/44/18/29/209441829.db2.gz NHXVRUQOFRMFJC-UHFFFAOYSA-N 0 0 342.851 4.948 50 0 EJAARN Cc1cc(Cl)ccc1OC(=O)c1ccccc1Br ZINC000000122476 209435254 /nfs/dbraw/zinc/43/52/54/209435254.db2.gz URTRVGIGKAHUKN-UHFFFAOYSA-N 0 0 325.589 4.630 50 0 EJAARN Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000000091616 209415141 /nfs/dbraw/zinc/41/51/41/209415141.db2.gz YGPNQBCIJMCYPU-UHFFFAOYSA-N 0 0 347.245 4.756 50 0 biogenic,in-vitro EJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1scc2c1CCCC2 ZINC000000090988 209413627 /nfs/dbraw/zinc/41/36/27/209413627.db2.gz DLQMQTJAXSOJIC-UHFFFAOYSA-N 0 0 325.355 4.898 50 0 EJAARN CCc1ccc(C(=O)Nc2cccnc2Oc2ccc(OC)cc2)cc1 ZINC000000083930 209408091 /nfs/dbraw/zinc/40/80/91/209408091.db2.gz PZMVXAAAAISGLQ-UHFFFAOYSA-N 0 0 348.402 4.697 50 0 EJAARN CCOc1ccc2nc(SCc3ccc(OC)cc3)sc2c1 ZINC000000068062 209398727 /nfs/dbraw/zinc/39/87/27/209398727.db2.gz AXJKWRKFGZTAHP-UHFFFAOYSA-N 0 0 331.462 4.996 50 0 EJAARN COc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)cc1OC ZINC000000064794 209397259 /nfs/dbraw/zinc/39/72/59/209397259.db2.gz CMHQVVGKBWFURG-UHFFFAOYSA-N 0 0 334.371 4.590 50 0 EJAARN Cc1cccn2c(NC(=O)c3ccc(F)cc3)c(-c3ccccc3)nc12 ZINC000000064520 209396996 /nfs/dbraw/zinc/39/69/96/209396996.db2.gz UYUFFQUKSFSIEA-UHFFFAOYSA-N 0 0 345.377 4.701 50 0 EJAARN Nc1c2cc3c(nc2sc1C(=O)c1ccc(Cl)cc1)CCCC3 ZINC000000058505 209394947 /nfs/dbraw/zinc/39/49/47/209394947.db2.gz LDTPLXPHPYRTJH-UHFFFAOYSA-N 0 0 342.851 4.642 50 0 EJAARN O=C(Nc1ccc2ccccc2c1)c1cccc(Br)c1 ZINC000000058943 209394736 /nfs/dbraw/zinc/39/47/36/209394736.db2.gz QYNIRMPFRLVBEI-UHFFFAOYSA-N 0 0 326.193 4.855 50 0 EJAARN O=C(/C=C/c1ccccc1)Oc1ccc(OCc2ccccc2)cc1 ZINC000000059458 209394568 /nfs/dbraw/zinc/39/45/68/209394568.db2.gz ZOPAAUUGWRYZRH-LFIBNONCSA-N 0 0 330.383 4.884 50 0 biogenic EJAARN Cc1ccc(-c2cc(C(=O)Nc3ccon3)c3cc(C)ccc3n2)s1 ZINC000028227140 212606207 /nfs/dbraw/zinc/60/62/07/212606207.db2.gz HTRGVLBCTOQZKD-UHFFFAOYSA-N 0 0 349.415 4.820 50 0 EJAARN Cc1ccc(COc2cc(C)cc3oc(=O)c4c(c23)CCCC4)cc1 ZINC000000046584 209389605 /nfs/dbraw/zinc/38/96/05/209389605.db2.gz KYNZUSNCMHXBOP-UHFFFAOYSA-N 0 0 334.415 4.868 50 0 EJAARN CCOc1ccc(NC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1 ZINC000000042864 209387305 /nfs/dbraw/zinc/38/73/05/209387305.db2.gz PLPAJKCRFHSBJT-OCCSQVGLSA-N 0 0 328.239 4.615 50 0 EJAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc(C)c(C)c1 ZINC000000044665 209387004 /nfs/dbraw/zinc/38/70/04/209387004.db2.gz KDAXIVMMXFLDFF-UHFFFAOYSA-N 0 0 339.826 4.703 50 0 EJAARN CCCn1c2ccccc2nc1NC(=O)Nc1ccccc1Cl ZINC000027923561 212586459 /nfs/dbraw/zinc/58/64/59/212586459.db2.gz OXOWTBUKLZKDMH-UHFFFAOYSA-N 0 0 328.803 4.744 50 0 EJAARN Cc1cccc2cc(CN(C)Cc3ncc[nH]3)c(-c3cccs3)nc12 ZINC000072473929 216251451 /nfs/dbraw/zinc/25/14/51/216251451.db2.gz XGRBPGIHMBLORO-UHFFFAOYSA-N 0 0 348.475 4.627 50 0 EJAARN CC(=O)c1c(=O)ccoc1Nc1ccc(-c2cc3ccccn3c2)cc1 ZINC000027788922 212579185 /nfs/dbraw/zinc/57/91/85/212579185.db2.gz YZRGGFGZLQNEMQ-UHFFFAOYSA-N 0 0 344.370 4.506 50 0 EJAARN Nc1ccccc1Nc1nc(-c2ccccc2)cn1-c1ccccc1 ZINC000027753492 212576331 /nfs/dbraw/zinc/57/63/31/212576331.db2.gz BUOQFOCYYQPYSQ-UHFFFAOYSA-N 0 0 326.403 4.865 50 0 EJAARN c1ccc([C@@H](NCc2nc3ccccc3s2)c2ccccn2)cc1 ZINC000026877798 212539019 /nfs/dbraw/zinc/53/90/19/212539019.db2.gz FNFDTQHMJZEVSW-HXUWFJFHSA-N 0 0 331.444 4.571 50 0 EJAARN C[C@H](c1ccccc1)N(C)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000026290837 201060740 /nfs/dbraw/zinc/06/07/40/201060740.db2.gz JYKLNFIVQTVFHG-YUELXQCFSA-N 0 0 328.378 4.510 50 0 EJAARN CC(=O)NCc1ccc(-c2csc(-c3ccc(C(C)C)cc3)n2)o1 ZINC000025666277 212493524 /nfs/dbraw/zinc/49/35/24/212493524.db2.gz RBANJPATYHQBTR-UHFFFAOYSA-N 0 0 340.448 4.830 50 0 EJAARN COc1cccc(-c2csc(-c3ccc(OC)c(OC)c3)n2)c1 ZINC000025667684 212493227 /nfs/dbraw/zinc/49/32/27/212493227.db2.gz PLTDFAWEBGMJRR-UHFFFAOYSA-N 0 0 327.405 4.503 50 0 EJAARN O=C(Cc1cccc2ccccc21)OCc1csc(-c2ccco2)n1 ZINC000025454310 212481863 /nfs/dbraw/zinc/48/18/63/212481863.db2.gz QNKZJXNBZWPWPR-UHFFFAOYSA-N 0 0 349.411 4.842 50 0 EJAARN CC(=Cc1cnc(-c2ccco2)s1)c1nc(=O)c2ccsc2[nH]1 ZINC000330033158 201363601 /nfs/dbraw/zinc/36/36/01/201363601.db2.gz WPNANQVFRXPUMM-CLFYSBASSA-N 0 0 341.417 4.674 50 0 EJAARN C[C@@H](NC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1cccc(F)c1 ZINC000025063252 212458104 /nfs/dbraw/zinc/45/81/04/212458104.db2.gz CICXCJIGXUDLBG-OAHLLOKOSA-N 0 0 347.389 4.548 50 0 EJAARN O=C(/C=C\c1cccc2cccnc12)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000096291396 201375669 /nfs/dbraw/zinc/37/56/69/201375669.db2.gz LSGJKFAOSYEAIS-KTZABMDBSA-N 0 0 346.405 4.751 50 0 EJAARN CC(=O)c1ccccc1NC(=O)C=Cc1ccc(C(F)(F)F)cc1 ZINC000096557595 201377641 /nfs/dbraw/zinc/37/76/41/201377641.db2.gz RCBPBGFWKWSACV-FLIBITNWSA-N 0 0 333.309 4.560 50 0 EJAARN Cc1cc(F)ccc1NC(=O)N1CCCCC[C@@H]1c1ccncc1 ZINC000045975252 202561255 /nfs/dbraw/zinc/56/12/55/202561255.db2.gz GBCRSKGYZFOHFJ-GOSISDBHSA-N 0 0 327.403 4.678 50 0 EJAARN Cc1ccc(SCCC(=O)NCCSCc2ccccc2)cc1 ZINC000024606085 212428822 /nfs/dbraw/zinc/42/88/22/212428822.db2.gz 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NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1C1CCCCC1 ZINC000252535894 243847301 /nfs/dbraw/zinc/84/73/01/243847301.db2.gz HCKYFMGOGHUUTC-UHFFFAOYSA-N 0 0 339.464 4.705 50 0 EJAARN Cn1cc(C(=O)Oc2ccc(Oc3ccccn3)cc2)c2ccccc21 ZINC000070037816 203071526 /nfs/dbraw/zinc/07/15/26/203071526.db2.gz TZORHQDDNPCAPP-UHFFFAOYSA-N 0 0 344.370 4.585 50 0 EJAARN CSc1ccc([C@](C)(O)[C@@H](c2ccccc2)c2ccccn2)cc1 ZINC000071767165 203111455 /nfs/dbraw/zinc/11/14/55/203111455.db2.gz BZMSVJSCYVEWBD-SFTDATJTSA-N 0 0 335.472 4.843 50 0 EJAARN Cc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc(C)c(F)c2)cc1 ZINC000020437453 212129114 /nfs/dbraw/zinc/12/91/14/212129114.db2.gz AATQVIVCAAMZCV-HXUWFJFHSA-N 0 0 347.393 4.609 50 0 EJAARN C[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1ncc(-c2ccccc2)o1 ZINC000071812731 203117033 /nfs/dbraw/zinc/11/70/33/203117033.db2.gz ZDTVFUUYPRCAHG-OAHLLOKOSA-N 0 0 343.430 4.942 50 0 EJAARN COc1ccc([C@H]2CCCCCN2C(=O)c2ccc3cc[nH]c3c2)cc1 ZINC000071817294 203118711 /nfs/dbraw/zinc/11/87/11/203118711.db2.gz OOLIBJFWUVSAKJ-OAQYLSRUSA-N 0 0 348.446 4.934 50 0 EJAARN Clc1ccc(CN2COc3c(cc(Cl)c4cccnc43)C2)cc1 ZINC000020366591 212123346 /nfs/dbraw/zinc/12/33/46/212123346.db2.gz NNZCKBDKGWOHKF-UHFFFAOYSA-N 0 0 345.229 4.894 50 0 EJAARN COc1ccc(C(=O)c2cc3cc(Br)ccc3o2)cc1F ZINC000020362313 212122647 /nfs/dbraw/zinc/12/26/47/212122647.db2.gz VNODUVLYOGISEC-UHFFFAOYSA-N 0 0 349.155 4.574 50 0 EJAARN COc1ccc(-c2ccnc3c(-c4cccc(Cl)c4)cnn32)cc1 ZINC000072117766 203164096 /nfs/dbraw/zinc/16/40/96/203164096.db2.gz AWFISUVZUMFXOZ-UHFFFAOYSA-N 0 0 335.794 4.725 50 0 EJAARN CN(c1ncnc2onc(-c3ccc(Cl)cc3)c21)C1CCCCC1 ZINC000020329646 212119647 /nfs/dbraw/zinc/11/96/47/212119647.db2.gz WPRHZKDIJITNEN-UHFFFAOYSA-N 0 0 342.830 4.707 50 0 EJAARN Fc1ccc(OCc2ccc3ccccc3n2)c(Br)c1 ZINC000020246628 212114945 /nfs/dbraw/zinc/11/49/45/212114945.db2.gz ZCYQBFSXVIWNQK-UHFFFAOYSA-N 0 0 332.172 4.715 50 0 EJAARN Cc1cc(C)cc(CSCC(=O)NCc2ccc(Cl)cc2)c1 ZINC000020237913 212114057 /nfs/dbraw/zinc/11/40/57/212114057.db2.gz SGKKILAYVBVBOA-UHFFFAOYSA-N 0 0 333.884 4.506 50 0 EJAARN Cc1cc2oc(C(=O)Nc3ccc(Cl)cc3)cc(=O)c2cc1Cl ZINC000072238580 203184509 /nfs/dbraw/zinc/18/45/09/203184509.db2.gz UCFIROWXNRBUQR-UHFFFAOYSA-N 0 0 348.185 4.661 50 0 EJAARN c1coc([C@H]2CCCCCN2Cc2c[nH]c(CC3CCCC3)n2)c1 ZINC000072473044 203230518 /nfs/dbraw/zinc/23/05/18/203230518.db2.gz XAZCXBAYVMKELN-GOSISDBHSA-N 0 0 327.472 4.853 50 0 EJAARN Cc1ccc2nc(Cl)cc(SCC(=O)NC3CCCCC3)c2c1 ZINC000020105228 212101266 /nfs/dbraw/zinc/10/12/66/212101266.db2.gz AVMBGVHCGFMEJM-UHFFFAOYSA-N 0 0 348.899 4.738 50 0 EJAARN Cc1nn([C@@H](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1C ZINC000019909169 212082323 /nfs/dbraw/zinc/08/23/23/212082323.db2.gz NAYLISHNJZQXBD-VIFPVBQESA-N 0 0 340.254 4.705 50 0 EJAARN Cc1cc(C)cc(NC(=O)CCc2ccc3[nH]c(C(C)C)nc3c2)c1 ZINC000075465746 203314496 /nfs/dbraw/zinc/31/44/96/203314496.db2.gz NZXAYTSUOOZTGB-UHFFFAOYSA-N 0 0 335.451 4.874 50 0 EJAARN CC(C)c1cc([C@@H]2CCCN2Cc2c[nH]nc2-c2cccs2)on1 ZINC000075448600 203314545 /nfs/dbraw/zinc/31/45/45/203314545.db2.gz PTTPIXHEZRTZSC-HNNXBMFYSA-N 0 0 342.468 4.587 50 0 EJAARN Cc1ccccc1[C@@H]1CCCN(C(=O)c2ccnc3ccccc32)C1 ZINC000077379868 216890030 /nfs/dbraw/zinc/89/00/30/216890030.db2.gz DXIPFPJZBDLJLI-QGZVFWFLSA-N 0 0 330.431 4.563 50 0 EJAARN Cc1nc(-c2cccs2)c(CCC(=O)NC2CCCCC2)s1 ZINC000019933134 212086155 /nfs/dbraw/zinc/08/61/55/212086155.db2.gz IIBQRPITHMJPBY-UHFFFAOYSA-N 0 0 334.510 4.562 50 0 EJAARN Cc1cc(NC(=O)CCc2ccc3[nH]c(C(C)C)nc3c2)ccc1F ZINC000075465785 203315169 /nfs/dbraw/zinc/31/51/69/203315169.db2.gz OHSKNRINLOPQNX-UHFFFAOYSA-N 0 0 339.414 4.705 50 0 EJAARN Cc1nn([C@H](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1C ZINC000019909172 212082253 /nfs/dbraw/zinc/08/22/53/212082253.db2.gz NAYLISHNJZQXBD-SECBINFHSA-N 0 0 340.254 4.705 50 0 EJAARN COc1cccc([C@@H]2CCCCN2C(=O)c2cc(Cl)ccc2F)c1 ZINC000077471828 216914218 /nfs/dbraw/zinc/91/42/18/216914218.db2.gz HTNBVEWTQDFDRW-SFHVURJKSA-N 0 0 347.817 4.855 50 0 EJAARN Cc1ccccc1[C@H]1CCCN(C(=O)c2ccnc3ccccc32)C1 ZINC000077379870 203384301 /nfs/dbraw/zinc/38/43/01/203384301.db2.gz DXIPFPJZBDLJLI-KRWDZBQOSA-N 0 0 330.431 4.563 50 0 EJAARN Cc1nc([C@H](C)N(C)C(=O)c2ccc(-c3ccco3)cc2)c(C)s1 ZINC000082125967 203497267 /nfs/dbraw/zinc/49/72/67/203497267.db2.gz ZFORBBRJTWRBBD-LBPRGKRZSA-N 0 0 340.448 4.853 50 0 EJAARN CC[C@@H](C)c1ccccc1O[C@H](CC)C(=O)Nc1ccc(N)cc1C ZINC000019736780 212059640 /nfs/dbraw/zinc/05/96/40/212059640.db2.gz PBVZXKRMTXAWOD-AUUYWEPGSA-N 0 0 340.467 4.887 50 0 EJAARN CC(C)Oc1cccc(NCc2ccc(OC[C@@H]3CCCO3)cc2)c1 ZINC000019737513 212059380 /nfs/dbraw/zinc/05/93/80/212059380.db2.gz YPVVMACSZXICJN-NRFANRHFSA-N 0 0 341.451 4.644 50 0 EJAARN c1ccc(CCN2COc3ccc4oc5ccccc5c4c3C2)cc1 ZINC000019624912 212051800 /nfs/dbraw/zinc/05/18/00/212051800.db2.gz QDTWXSRKRNDHGP-UHFFFAOYSA-N 0 0 329.399 4.981 50 0 EJAARN CC(C)=CCC[C@]1(C)CCC(=O)N(Cc2cc(-c3ccco3)on2)C1 ZINC000091725003 203649149 /nfs/dbraw/zinc/64/91/49/203649149.db2.gz MIDRVOBLLIWJHY-HXUWFJFHSA-N 0 0 342.439 4.810 50 0 EJAARN C/C=C\c1ccc(O[C@@H](C)C(=O)Nc2c(C)cccc2C)c(OC)c1 ZINC000096915672 203900112 /nfs/dbraw/zinc/90/01/12/203900112.db2.gz SKDCOIMRRYEIDV-IOBAAEILSA-N 0 0 339.435 4.751 50 0 EJAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@]32CCCC(=O)C2)cc1 ZINC000100671109 203996195 /nfs/dbraw/zinc/99/61/95/203996195.db2.gz PCKAMFUEEURWNF-IFMALSPDSA-N 0 0 346.430 4.861 50 0 EJAARN Clc1cccc([C@@H]2CC(c3ccccc3Cl)=Nc3ncnn32)c1 ZINC000101079910 204001440 /nfs/dbraw/zinc/00/14/40/204001440.db2.gz XBBNWAWBXLTIBJ-INIZCTEOSA-N 0 0 343.217 4.641 50 0 EJAARN Cc1csc(C2=C(N)N(c3cc(Cl)cc(Cl)c3)CC2=O)n1 ZINC000102724190 204047134 /nfs/dbraw/zinc/04/71/34/204047134.db2.gz VAFVCCRYDOMWCA-UHFFFAOYSA-N 0 0 340.235 4.525 50 0 EJAARN COc1cc([C@@H](C)NC(=O)C[C@H]2C=CCC2)ccc1OC1CCCC1 ZINC000048331639 204344941 /nfs/dbraw/zinc/34/49/41/204344941.db2.gz MSGVGHHAMNDYGS-CVEARBPZSA-N 0 0 343.467 4.550 50 0 EJAARN Cn1cccc1CN(Cc1cccs1)C(=O)c1cccc(Cl)c1 ZINC000049026654 204362941 /nfs/dbraw/zinc/36/29/41/204362941.db2.gz PYKBTWNKTKPFPR-UHFFFAOYSA-N 0 0 344.867 4.583 50 0 EJAARN CCCCC[C@@H](C)NC(=O)c1ccccc1OCc1csc(C)n1 ZINC000019309862 212014215 /nfs/dbraw/zinc/01/42/15/212014215.db2.gz QHPUCIWYEAVAAG-CQSZACIVSA-N 0 0 346.496 4.729 50 0 EJAARN CCCn1cc(-c2ccnc(N[C@@H]3CCCc4ccccc43)n2)c(C)n1 ZINC000048501544 213943343 /nfs/dbraw/zinc/94/33/43/213943343.db2.gz PACGOLXCIHSHDO-LJQANCHMSA-N 0 0 347.466 4.548 50 0 EJAARN C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000018709374 211996086 /nfs/dbraw/zinc/99/60/86/211996086.db2.gz UBAAUQJQCSLGIJ-GFCCVEGCSA-N 0 0 337.391 4.548 50 0 EJAARN C[C@@H](c1ccc(F)cc1)[S@@](=O)Cc1csc(-c2ccco2)n1 ZINC000078602610 217083964 /nfs/dbraw/zinc/08/39/64/217083964.db2.gz GOCMWVXTBJNKPS-KPWVOAKYSA-N 0 0 335.425 4.552 50 0 EJAARN O=C(Nc1nc2ccccc2s1)c1cc(F)c(Cl)cc1Cl ZINC000017367945 211968244 /nfs/dbraw/zinc/96/82/44/211968244.db2.gz FDAWLFMEXCYPPF-UHFFFAOYSA-N 0 0 341.194 4.995 50 0 EJAARN O=C(/C=C\c1ccccc1)Nc1c(-c2cccs2)nc2ccccn21 ZINC000017178085 211958783 /nfs/dbraw/zinc/95/87/83/211958783.db2.gz YCVMBCGFILUIHG-QXMHVHEDSA-N 0 0 345.427 4.715 50 0 EJAARN Cc1ccc([C@H]2CCCCCN2C(=O)NCCc2ccccc2)s1 ZINC000015867128 211865562 /nfs/dbraw/zinc/86/55/62/211865562.db2.gz JEVQCYJROZMVNK-GOSISDBHSA-N 0 0 342.508 4.926 50 0 EJAARN CCCn1c2ccccc2nc1SCCOc1ccc(C)cc1 ZINC000015833380 211858087 /nfs/dbraw/zinc/85/80/87/211858087.db2.gz ROQKHMAIQADIGE-UHFFFAOYSA-N 0 0 326.465 4.926 50 0 EJAARN CCOC(=O)c1nc2ccccc2c(N(CC)c2cc(C)ccc2C)n1 ZINC000015784048 211852702 /nfs/dbraw/zinc/85/27/02/211852702.db2.gz ONBJKGZXDDOFLS-UHFFFAOYSA-N 0 0 349.434 4.581 50 0 EJAARN CC[C@@H]1c2ccc(C)n2CCN1C(=O)Nc1cccc(SC)c1 ZINC000015671759 211839544 /nfs/dbraw/zinc/83/95/44/211839544.db2.gz ORUPKXAXUUVMHL-MRXNPFEDSA-N 0 0 329.469 4.517 50 0 EJAARN CC[C@H]1Nc2c(sc3nc(C)cc(C)c32)C(=O)N1C1CCCCC1 ZINC000015670728 211838207 /nfs/dbraw/zinc/83/82/07/211838207.db2.gz VGOZUIDOHYJRJD-AWEZNQCLSA-N 0 0 343.496 4.850 50 0 EJAARN C[C@H](c1ccccc1)N(C)C(=O)/C=C/c1cccc(Br)c1 ZINC000015568519 211832023 /nfs/dbraw/zinc/83/20/23/211832023.db2.gz ZIIHVASSDMIZHH-GCZGRYASSA-N 0 0 344.252 4.682 50 0 EJAARN C/C=C/C=C/C(=O)O[C@@H](C(=O)Nc1cc(C)cc(C)c1)c1ccccc1 ZINC000015180803 211807070 /nfs/dbraw/zinc/80/70/70/211807070.db2.gz QEVXPMQLNDNWJW-RCZBGFQDSA-N 0 0 349.430 4.659 50 0 EJAARN Cc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1 ZINC000015010573 211786364 /nfs/dbraw/zinc/78/63/64/211786364.db2.gz DYRQSDADVQLEAX-YBEGLDIGSA-N 0 0 343.835 4.885 50 0 EJAARN Cc1ccc(F)c(NC(=O)c2ccccc2C(=O)c2ccccc2)c1 ZINC000014903348 211771570 /nfs/dbraw/zinc/77/15/70/211771570.db2.gz JJNZQSUVGMZRHR-UHFFFAOYSA-N 0 0 333.362 4.617 50 0 EJAARN Cc1ccc(C(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)cc1 ZINC000002961337 205637366 /nfs/dbraw/zinc/63/73/66/205637366.db2.gz CXCNUVDLJWTSQL-UHFFFAOYSA-N 0 0 345.427 4.919 50 0 EJAARN CCCC(=O)Nc1c2c(nc3ccccc31)N(c1ccccc1)CC2 ZINC000004008106 205670047 /nfs/dbraw/zinc/67/00/47/205670047.db2.gz MEPYCFLDZVYGIM-UHFFFAOYSA-N 0 0 331.419 4.668 50 0 EJAARN CCOc1cc2ccccc2cc1C(=O)N[C@@H]1CCc2ccccc21 ZINC000014683114 211752551 /nfs/dbraw/zinc/75/25/51/211752551.db2.gz VEOQGDCYVGXFMK-HXUWFJFHSA-N 0 0 331.415 4.656 50 0 EJAARN Nc1cc(Br)ccc1OCc1cccc2ccccc21 ZINC000014630930 211749324 /nfs/dbraw/zinc/74/93/24/211749324.db2.gz NGNPDANNFFQZTA-UHFFFAOYSA-N 0 0 328.209 4.764 50 0 EJAARN Cn1c(SCc2ccc(-c3ccccc3)cc2)nnc1C(F)(F)F ZINC000005936417 205786503 /nfs/dbraw/zinc/78/65/03/205786503.db2.gz UHBSSYGXOQOTBG-UHFFFAOYSA-N 0 0 349.381 4.793 50 0 EJAARN CSc1cccc2sc(NC(=O)c3cccc(Cl)c3)nc21 ZINC000005299212 205766784 /nfs/dbraw/zinc/76/67/84/205766784.db2.gz JAXARYQYDKRCQI-UHFFFAOYSA-N 0 0 334.853 4.924 50 0 EJAARN O=C(CCCSc1ccccc1)NC12CC3CC(CC(C3)C1)C2 ZINC000006052298 205797724 /nfs/dbraw/zinc/79/77/24/205797724.db2.gz MZWOSUQMPYHECK-UHFFFAOYSA-N 0 0 329.509 4.644 50 0 EJAARN c1cc2c(ncnc2N2CCC[C@@H]2c2nc3ccccc3s2)s1 ZINC000008063179 205842932 /nfs/dbraw/zinc/84/29/32/205842932.db2.gz WZFHHHDBXCNMCS-CYBMUJFWSA-N 0 0 338.461 4.643 50 0 EJAARN COC(=O)[C@@H](C)n1c(Cc2cccc3ccccc32)nc2ccccc21 ZINC000082087019 217460216 /nfs/dbraw/zinc/46/02/16/217460216.db2.gz HUHIFCHXTGZHLI-OAHLLOKOSA-N 0 0 344.414 4.514 50 0 EJAARN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cc2c(cc1Cl)OCO2 ZINC000014244874 211721206 /nfs/dbraw/zinc/72/12/06/211721206.db2.gz PQEVKZYQAIBAEE-UHFFFAOYSA-N 0 0 347.842 4.614 50 0 EJAARN Cc1ccn2cc(C(=O)N(Cc3ccc(C(C)C)cc3)C3CC3)nc2c1 ZINC000014094946 211680633 /nfs/dbraw/zinc/68/06/33/211680633.db2.gz WKCXUJZMYUMRIA-UHFFFAOYSA-N 0 0 347.462 4.571 50 0 EJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1cc2ccccc2o1 ZINC000000118535 206208881 /nfs/dbraw/zinc/20/88/81/206208881.db2.gz KCBPJJVGWJPGPX-UHFFFAOYSA-N 0 0 343.404 4.540 50 0 EJAARN Cc1nc(NC(=O)c2cccc3ccccc32)ccc1Br ZINC000000515037 206239672 /nfs/dbraw/zinc/23/96/72/206239672.db2.gz FXXJUDJNNSLMST-UHFFFAOYSA-N 0 0 341.208 4.558 50 0 EJAARN Cc1[nH]c2ccccc2c1[C@H]1C(C)=C(C)C(=O)N1CCc1ccccc1 ZINC000013957624 211661426 /nfs/dbraw/zinc/66/14/26/211661426.db2.gz DNAOFSADNQUWNV-JOCHJYFZSA-N 0 0 344.458 4.939 50 0 EJAARN Cc1nnc(-c2ccc(Br)cc2)n1-c1ccc(Cl)cc1 ZINC000084847568 217650081 /nfs/dbraw/zinc/65/00/81/217650081.db2.gz VHRRICGRDAJVCU-UHFFFAOYSA-N 0 0 348.631 4.659 50 0 EJAARN Cc1noc(C)c1Cc1ccc(C(=O)Nc2ccc(F)cc2Cl)o1 ZINC000013641106 211597507 /nfs/dbraw/zinc/59/75/07/211597507.db2.gz DWFYNGXYOXEXBS-UHFFFAOYSA-N 0 0 348.761 4.520 50 0 EJAARN CC(=Cc1ccc(Cl)cc1Cl)c1nc(=O)c2ccsc2[nH]1 ZINC000089262149 217779668 /nfs/dbraw/zinc/77/96/68/217779668.db2.gz NGCJFBOAHGHNSI-VURMDHGXSA-N 0 0 337.231 4.852 50 0 EJAARN CCCOc1ccc(Br)cc1-c1nc2ccccc2[nH]1 ZINC000013229485 211538021 /nfs/dbraw/zinc/53/80/21/211538021.db2.gz BJVBVNBQRNCCNH-UHFFFAOYSA-N 0 0 331.213 4.781 50 0 EJAARN Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)cc1 ZINC000013018911 211514231 /nfs/dbraw/zinc/51/42/31/211514231.db2.gz PASRMZPSOAHIPC-DLBZAZTESA-N 0 0 333.431 4.793 50 0 EJAARN CCOc1cc2c(cc1NC(=O)C[C@@H](C)c1ccccc1)O[C@@H](C)C2 ZINC000013002456 211507463 /nfs/dbraw/zinc/50/74/63/211507463.db2.gz 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EJAARN C[C@@H]1S[C@@H](c2ccc(Br)cc2)N(c2ccccc2)C1=O ZINC000000080607 563218617 /nfs/dbraw/zinc/21/86/17/563218617.db2.gz XPPFSOPMMOZDQI-ZBEGNZNMSA-N 0 0 348.265 4.616 50 0 EJAARN CCOc1ccsc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000000082854 563219048 /nfs/dbraw/zinc/21/90/48/563219048.db2.gz LTBMWJPFLZAZFV-UHFFFAOYSA-N 0 0 346.330 4.689 50 0 EJAARN Clc1ccc(-c2noc(-c3ccccc3Br)n2)cc1 ZINC000000087894 563221157 /nfs/dbraw/zinc/22/11/57/563221157.db2.gz RFKHVSPXAKRFFA-UHFFFAOYSA-N 0 0 335.588 4.820 50 0 EJAARN C[C@@H](c1ccccc1)[C@H]1Nc2ccccc2C(=O)N1c1ccccc1 ZINC000000087996 563221184 /nfs/dbraw/zinc/22/11/84/563221184.db2.gz OUFIYTUFYOPUJU-KKSFZXQISA-N 0 0 328.415 4.889 50 0 EJAARN O=C1O[C@H](c2ccc(F)cc2)C2(CCCCC2)C(=O)C12CCCCC2 ZINC000000089805 563221874 /nfs/dbraw/zinc/22/18/74/563221874.db2.gz LPZPFNMMDIKXPH-QGZVFWFLSA-N 0 0 344.426 4.894 50 0 EJAARN CCCc1c2ccc(O)cc2oc(=O)c1Cc1c(F)cccc1Cl ZINC000000090189 563222161 /nfs/dbraw/zinc/22/21/61/563222161.db2.gz WGQGETDQJYTUHH-UHFFFAOYSA-N 0 0 346.785 4.834 50 0 EJAARN c1ccc(OCCn2c(COc3ccccc3)nc3ccccc32)cc1 ZINC000000099182 563225270 /nfs/dbraw/zinc/22/52/70/563225270.db2.gz PXPUUPDZKHCVCS-UHFFFAOYSA-N 0 0 344.414 4.694 50 0 EJAARN Cc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)o1 ZINC000000099110 563225298 /nfs/dbraw/zinc/22/52/98/563225298.db2.gz GCPZHKOWNSMENP-DNVCBOLYSA-N 0 0 336.416 4.892 50 0 EJAARN C[C@@H]1CCCCN1C(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000000102327 563226264 /nfs/dbraw/zinc/22/62/64/563226264.db2.gz SSNAQHSCSLMQSL-MRXNPFEDSA-N 0 0 330.431 4.916 50 0 EJAARN COc1ccc(C(=O)C[C@H](C(=O)c2ccccc2)c2ccccc2)cc1 ZINC000000103818 563226476 /nfs/dbraw/zinc/22/64/76/563226476.db2.gz PILVPZIUEXBKLT-NRFANRHFSA-N 0 0 344.410 4.935 50 0 EJAARN CCOC(=O)c1nc2ccccc2c(Nc2ccc(C)c(Cl)c2)n1 ZINC000000106426 563227911 /nfs/dbraw/zinc/22/79/11/563227911.db2.gz OVKMVKYKSDACOD-UHFFFAOYSA-N 0 0 341.798 4.512 50 0 EJAARN COc1ccc2nc(SC(=O)c3ccccc3Cl)nc(C)c2c1 ZINC000000107118 563228400 /nfs/dbraw/zinc/22/84/00/563228400.db2.gz 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/nfs/dbraw/zinc/23/53/90/563235390.db2.gz MPXQPQYBCGGDSL-UHFFFAOYSA-N 0 0 344.769 4.653 50 0 EJAARN FC(F)(F)Oc1ccccc1-c1nnc(-c2ccccc2Cl)o1 ZINC000000122521 563235522 /nfs/dbraw/zinc/23/55/22/563235522.db2.gz ZGVRGAOJKRODNQ-UHFFFAOYSA-N 0 0 340.688 4.956 50 0 EJAARN Cc1noc(-c2ccccc2)c1NC(=O)Nc1ccc(Cl)cc1 ZINC000000129683 563238015 /nfs/dbraw/zinc/23/80/15/563238015.db2.gz CQNJOAIQCPHLQJ-UHFFFAOYSA-N 0 0 327.771 4.947 50 0 EJAARN COc1ccccc1OCCn1c2ccccc2nc1SC(C)C ZINC000000135293 563240055 /nfs/dbraw/zinc/24/00/55/563240055.db2.gz NIZLALRQTVXIEB-UHFFFAOYSA-N 0 0 342.464 4.624 50 0 EJAARN Cc1ccc(OC(=O)c2ccc(Cl)cc2)c(Br)c1 ZINC000000135936 563240597 /nfs/dbraw/zinc/24/05/97/563240597.db2.gz GTLYKCTWULBMFA-UHFFFAOYSA-N 0 0 325.589 4.630 50 0 EJAARN COc1ccc(C)cc1NC(=O)/C=C/c1c(Cl)cccc1Cl ZINC000000147132 563244868 /nfs/dbraw/zinc/24/48/68/563244868.db2.gz OSEVUGCNGJHJMO-VQHVLOKHSA-N 0 0 336.218 4.962 50 0 EJAARN Cc1cc(C)c2c(N)c(C(=O)Nc3cccc(Cl)c3C)sc2n1 ZINC000000149912 563245750 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563257683 /nfs/dbraw/zinc/25/76/83/563257683.db2.gz XMRPZRGAVFJQTJ-UHFFFAOYSA-N 0 0 336.822 4.511 50 0 EJAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccccc1C ZINC000000196438 563257998 /nfs/dbraw/zinc/25/79/98/563257998.db2.gz WXGQMMZZKDFUQJ-UHFFFAOYSA-N 0 0 343.386 4.759 50 0 EJAARN O=C(NC1CCCCC1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000000217122 563261879 /nfs/dbraw/zinc/26/18/79/563261879.db2.gz NGGJLKXQMPYPPL-UHFFFAOYSA-N 0 0 330.431 4.964 50 0 in-vitro EJAARN Cc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(C)c3)cc2)c1 ZINC000000225735 563263085 /nfs/dbraw/zinc/26/30/85/563263085.db2.gz CAPXQQRFGMJBNT-UHFFFAOYSA-N 0 0 344.414 4.808 50 0 EJAARN CCOC(=O)c1c(C)n(-c2ccc(Cl)cc2)c2cc(OC)ccc21 ZINC000000227379 563263365 /nfs/dbraw/zinc/26/33/65/563263365.db2.gz UEOSVLXBAAKPPK-UHFFFAOYSA-N 0 0 343.810 4.778 50 0 EJAARN Cc1cc(C)c(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c(C)c1 ZINC000000253043 563266843 /nfs/dbraw/zinc/26/68/43/563266843.db2.gz AEGVGHXMGAJARF-UHFFFAOYSA-N 0 0 344.263 4.719 50 0 EJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(F)c(Cl)c1 ZINC000000258923 563267919 /nfs/dbraw/zinc/26/79/19/563267919.db2.gz KLSAWPUBDYHAEF-UHFFFAOYSA-N 0 0 348.588 4.803 50 0 EJAARN O=C(Cc1ccccc1)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000000267320 563268717 /nfs/dbraw/zinc/26/87/17/563268717.db2.gz YJOYLHFZAHHYAL-UHFFFAOYSA-N 0 0 328.371 4.676 50 0 EJAARN O=C(/C=C/c1ccco1)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000000277294 563271092 /nfs/dbraw/zinc/27/10/92/563271092.db2.gz BQZCUXREKWMQQW-ZHACJKMWSA-N 0 0 330.343 4.740 50 0 EJAARN O=C(Nc1cccc(NC(=O)c2cc3ccccc3o2)c1)c1ccco1 ZINC000000278981 563271473 /nfs/dbraw/zinc/27/14/73/563271473.db2.gz LAZAKNXZIFXUNV-UHFFFAOYSA-N 0 0 346.342 4.530 50 0 EJAARN O=C(Nc1ccc(Br)cc1)C1(c2ccccc2)CCCC1 ZINC000000281807 563271935 /nfs/dbraw/zinc/27/19/35/563271935.db2.gz FXLDLRVBSCQMNA-UHFFFAOYSA-N 0 0 344.252 4.900 50 0 EJAARN O=C(N[C@H]1CCCC[C@H]1Cc1ccco1)c1cccc2ccccc21 ZINC000000284625 563272655 /nfs/dbraw/zinc/27/26/55/563272655.db2.gz NUCRUAALXFPTSQ-UWJYYQICSA-N 0 0 333.431 4.964 50 0 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EJAARN C[C@@H](NC(=O)c1ccccc1OCc1ccccc1)c1ccccc1 ZINC000000312082 563281362 /nfs/dbraw/zinc/28/13/62/563281362.db2.gz GDYUGYCZGJDVJH-QGZVFWFLSA-N 0 0 331.415 4.757 50 0 EJAARN CCCC(CCC)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000000313695 563282019 /nfs/dbraw/zinc/28/20/19/563282019.db2.gz ZKXCTCHOPCHWTP-UHFFFAOYSA-N 0 0 328.412 4.687 50 0 EJAARN CC(=O)c1ccc(OCC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000000315752 563282725 /nfs/dbraw/zinc/28/27/25/563282725.db2.gz VZBYBYUYZSNDKU-UHFFFAOYSA-N 0 0 330.383 4.818 50 0 aggregator EJAARN Cc1ccc(OCC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1C ZINC000000317137 563282992 /nfs/dbraw/zinc/28/29/92/563282992.db2.gz ALCUCYAOBVZITR-UHFFFAOYSA-N 0 0 343.426 4.892 50 0 EJAARN CC(C)Oc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000000317410 563283415 /nfs/dbraw/zinc/28/34/15/563283415.db2.gz PDEYHKDLHVLGMQ-UHFFFAOYSA-N 0 0 338.451 4.716 50 0 EJAARN O=C(c1c[nH]cc1-c1ccccc1)c1ccc(Br)cc1 ZINC000000340707 563286262 /nfs/dbraw/zinc/28/62/62/563286262.db2.gz KDZQBBIFSFRAIU-UHFFFAOYSA-N 0 0 326.193 4.675 50 0 EJAARN Cc1ccc(Nc2nc([C@@]3(C)C[C@H](C(C)C)C(=O)O3)cs2)cc1 ZINC000000345734 563287675 /nfs/dbraw/zinc/28/76/75/563287675.db2.gz GZCFSMSWTAJCGE-RDTXWAMCSA-N 0 0 330.453 4.629 50 0 EJAARN Cc1ccc(Nc2nc([C@]3(C)C[C@H](C(C)C)C(=O)O3)cs2)cc1 ZINC000000345736 563287682 /nfs/dbraw/zinc/28/76/82/563287682.db2.gz GZCFSMSWTAJCGE-KDOFPFPSSA-N 0 0 330.453 4.629 50 0 EJAARN CN1c2ccc(Cl)cc2C(c2ccccc2Cl)=NCC1=S ZINC000000347214 563288005 /nfs/dbraw/zinc/28/80/05/563288005.db2.gz FQANQUICACYKRI-UHFFFAOYSA-N 0 0 335.259 4.608 50 0 EJAARN Cc1cccc(C(=O)Oc2cccc(OC(=O)c3cccc(C)c3)c2)c1 ZINC000000348016 563288334 /nfs/dbraw/zinc/28/83/34/563288334.db2.gz WFCYXBZCJBYIOY-UHFFFAOYSA-N 0 0 346.382 4.742 50 0 EJAARN O=C(Cc1coc2ccc3ccccc3c12)N1CCc2ccccc2C1 ZINC000000351956 563289780 /nfs/dbraw/zinc/28/97/80/563289780.db2.gz SVBNUDPKFOVUEQ-UHFFFAOYSA-N 0 0 341.410 4.713 50 0 EJAARN Cc1cc(C)n(-c2ncnc3scc(-c4ccccc4Cl)c32)n1 ZINC000000351624 563289812 /nfs/dbraw/zinc/28/98/12/563289812.db2.gz NPYZIUYATCFNEI-UHFFFAOYSA-N 0 0 340.839 4.814 50 0 EJAARN COc1ccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000000358548 563291556 /nfs/dbraw/zinc/29/15/56/563291556.db2.gz FFGMBFLJHOPZMS-UHFFFAOYSA-N 0 0 349.386 4.505 50 0 EJAARN Cc1ccc(C2=N/C(=C(\Cl)c3ccc(Cl)cc3)C(=O)O2)cc1 ZINC000000358786 563291903 /nfs/dbraw/zinc/29/19/03/563291903.db2.gz OEFIITBVJINFOB-PFONDFGASA-N 0 0 332.186 4.559 50 0 EJAARN Cc1cc(Br)ccc1NC(=O)Cc1ccc(Cl)cc1 ZINC000000456739 563324651 /nfs/dbraw/zinc/32/46/51/563324651.db2.gz HHKMLTFSICPBER-UHFFFAOYSA-N 0 0 338.632 4.592 50 0 EJAARN Cc1cccc(OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 ZINC000000362632 563294391 /nfs/dbraw/zinc/29/43/91/563294391.db2.gz NFAUJFNVBXRSMC-UHFFFAOYSA-N 0 0 343.732 4.685 50 0 EJAARN Cc1cccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)c1 ZINC000000362942 563294433 /nfs/dbraw/zinc/29/44/33/563294433.db2.gz GTGCKAIQJXXQMF-OAQYLSRUSA-N 0 0 330.383 4.776 50 0 EJAARN O=C(CCc1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000000362705 563294494 /nfs/dbraw/zinc/29/44/94/563294494.db2.gz HPALZGZHLFNVMM-UHFFFAOYSA-N 0 0 327.733 4.930 50 0 EJAARN CCOc1ccc(NC(=O)COc2cc(C)ccc2C(C)C)cc1 ZINC000000363310 563294784 /nfs/dbraw/zinc/29/47/84/563294784.db2.gz FZIKHXIASGCUEW-UHFFFAOYSA-N 0 0 327.424 4.535 50 0 EJAARN O=C(Oc1ccc2cc(Br)ccc2c1)c1ccccc1 ZINC000000364378 563295387 /nfs/dbraw/zinc/29/53/87/563295387.db2.gz KPURJHAWLHYAAY-UHFFFAOYSA-N 0 0 327.177 4.822 50 0 EJAARN Cc1ccc(-c2cc(C(=O)N3CCCCC3)c3ccccc3n2)s1 ZINC000000369041 563297270 /nfs/dbraw/zinc/29/72/70/563297270.db2.gz YFOAXWIFNITVMF-UHFFFAOYSA-N 0 0 336.460 4.898 50 0 EJAARN O=c1c2cc(Cl)ccc2nc2scc(-c3ccc(Cl)cc3)n21 ZINC000000384839 563301496 /nfs/dbraw/zinc/30/14/96/563301496.db2.gz RLBVXJQXYYINAT-UHFFFAOYSA-N 0 0 347.226 4.883 50 0 EJAARN COc1ccc(NC(=O)c2sc(Cl)nc2-c2ccccc2)cc1 ZINC000000385379 563302232 /nfs/dbraw/zinc/30/22/32/563302232.db2.gz ZDHHPVIHKYAPSO-UHFFFAOYSA-N 0 0 344.823 4.724 50 0 EJAARN Cc1ccc(OC[C@H](O)Cn2c3ccccc3c3ccccc32)cc1C ZINC000000385907 563302521 /nfs/dbraw/zinc/30/25/21/563302521.db2.gz IYVRPHFVFYPMIM-GOSISDBHSA-N 0 0 345.442 4.851 50 0 EJAARN Cc1nc(-c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)cs1 ZINC000000387101 563303121 /nfs/dbraw/zinc/30/31/21/563303121.db2.gz FINKDKQXDWNVOC-UHFFFAOYSA-N 0 0 342.851 4.953 50 0 EJAARN Cc1nc(-c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)cs1 ZINC000000387102 563303134 /nfs/dbraw/zinc/30/31/34/563303134.db2.gz OILWXIYFKKSEAS-UHFFFAOYSA-N 0 0 342.851 4.953 50 0 EJAARN O[C@@H](CSc1nc2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000000389392 563303841 /nfs/dbraw/zinc/30/38/41/563303841.db2.gz AKDQUKKDMUMYOC-AWEZNQCLSA-N 0 0 339.247 4.695 50 0 EJAARN CCOc1ccc(Nc2c3c(C)nn(C)c3nc3ccccc32)cc1 ZINC000000392050 563304187 /nfs/dbraw/zinc/30/41/87/563304187.db2.gz MNAZJSVIHZMVDJ-UHFFFAOYSA-N 0 0 332.407 4.572 50 0 EJAARN CCC(CC)(C(=O)Nc1ccc(C)cc1)C(=O)Nc1ccc(C)cc1 ZINC000000396001 563304851 /nfs/dbraw/zinc/30/48/51/563304851.db2.gz ACLKDRRBZHLZPM-UHFFFAOYSA-N 0 0 338.451 4.687 50 0 EJAARN Clc1ccc([C@@H]2C[C@H](c3ccccc3)Nc3ncnn32)cc1Cl ZINC000000407831 563307251 /nfs/dbraw/zinc/30/72/51/563307251.db2.gz IRASPZCLJPCCGN-CVEARBPZSA-N 0 0 345.233 4.731 50 0 EJAARN COc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3C)no2)cc1 ZINC000000423649 563309343 /nfs/dbraw/zinc/30/93/43/563309343.db2.gz NETQPPUUZKXKGC-UHFFFAOYSA-N 0 0 342.782 4.564 50 0 EJAARN CCc1ccccc1Nc1ncnc2c1cnn2-c1ccc(Cl)cc1 ZINC000000425627 563309905 /nfs/dbraw/zinc/30/99/05/563309905.db2.gz YGYZTPCAAUSYNI-UHFFFAOYSA-N 0 0 349.825 4.775 50 0 EJAARN O=C(NC1CCCCC1)c1cc(-c2ccc(Cl)c(Cl)c2)on1 ZINC000000425703 563310052 /nfs/dbraw/zinc/31/00/52/563310052.db2.gz OJQDBALJKFRQIS-UHFFFAOYSA-N 0 0 339.222 4.711 50 0 EJAARN Cc1ccc(Nc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1C ZINC000000426385 563310106 /nfs/dbraw/zinc/31/01/06/563310106.db2.gz ARACKNPNFLAVQG-UHFFFAOYSA-N 0 0 349.825 4.829 50 0 EJAARN CCc1ccc(Nc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1 ZINC000000426486 563310653 /nfs/dbraw/zinc/31/06/53/563310653.db2.gz MHGZPPXOIQIJIJ-UHFFFAOYSA-N 0 0 349.825 4.775 50 0 EJAARN O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1cccs1 ZINC000000434863 563312573 /nfs/dbraw/zinc/31/25/73/563312573.db2.gz BESPLYDEEFZYSR-UHFFFAOYSA-N 0 0 347.399 4.717 50 0 EJAARN Cc1cccc2c3c(c(C)nc12)C[C@H]([C@](C)(Cl)Br)O3 ZINC000000435931 563312890 /nfs/dbraw/zinc/31/28/90/563312890.db2.gz LLWGIJULDDXRNP-DOMZBBRYSA-N 0 0 340.648 4.505 50 0 EJAARN Cc1ccc(Cl)cc1NC(=O)COc1ccc2ccccc2c1 ZINC000000443008 563315079 /nfs/dbraw/zinc/31/50/79/563315079.db2.gz PGLYVUIOXLHPEB-UHFFFAOYSA-N 0 0 325.795 4.819 50 0 EJAARN O=C(CCc1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000000442952 563315095 /nfs/dbraw/zinc/31/50/95/563315095.db2.gz QQIPOUWAVIMCDF-UHFFFAOYSA-N 0 0 327.733 4.930 50 0 EJAARN O=C(Nc1ccccc1C(F)(F)F)c1ccccc1C(F)(F)F ZINC000000444179 563316037 /nfs/dbraw/zinc/31/60/37/563316037.db2.gz ZFCOHRUIBBBSQJ-UHFFFAOYSA-N 0 0 333.231 4.977 50 0 EJAARN COc1ccc(OC)c(C(=O)c2coc3c2cc(O)c2ccccc32)c1 ZINC000000444973 563316673 /nfs/dbraw/zinc/31/66/73/563316673.db2.gz JJNKBDMMRLAFAP-UHFFFAOYSA-N 0 0 348.354 4.540 50 0 EJAARN COc1ccc(-c2csc3nc(-c4ccccc4C)oc(=O)c23)cc1 ZINC000000445782 563317066 /nfs/dbraw/zinc/31/70/66/563317066.db2.gz LTPSBRKIIGRDEK-UHFFFAOYSA-N 0 0 349.411 4.901 50 0 EJAARN CCCN1CCn2c3ccc(Br)cc3c3c2[C@@H]1CCC3 ZINC000000448435 563318438 /nfs/dbraw/zinc/31/84/38/563318438.db2.gz IRNXDKZUAGPSIT-INIZCTEOSA-N 0 0 333.273 4.507 50 0 biogenic EJAARN CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2ccc(C)cc2)cc1 ZINC000000450866 563320042 /nfs/dbraw/zinc/32/00/42/563320042.db2.gz PXEKODSRJYWUSR-CQSZACIVSA-N 0 0 326.465 4.635 50 0 EJAARN Cc1ccc(Nc2nc([C@@H]3C[C@@H](CC(C)C)C(=O)O3)cs2)cc1 ZINC000000452118 563321037 /nfs/dbraw/zinc/32/10/37/563321037.db2.gz KIDKKXHDUVCMNA-CJNGLKHVSA-N 0 0 330.453 4.845 50 0 EJAARN COc1c(Cl)cc(C(=O)Nc2cccc(Cl)c2)cc1Cl ZINC000000452149 563321096 /nfs/dbraw/zinc/32/10/96/563321096.db2.gz IMTISEMZAGKTQP-UHFFFAOYSA-N 0 0 330.598 4.908 50 0 EJAARN CC[C@H](C)c1ccc(NC(=S)NC(=O)c2ccccc2C)cc1 ZINC000000452692 563321432 /nfs/dbraw/zinc/32/14/32/563321432.db2.gz OSZHIMVWMCPDOC-ZDUSSCGKSA-N 0 0 326.465 4.635 50 0 EJAARN COc1ccc(NC(=O)CSCc2ccccc2C)cc1Cl ZINC000000453448 563322038 /nfs/dbraw/zinc/32/20/38/563322038.db2.gz AAUHCJVJZCPMPC-UHFFFAOYSA-N 0 0 335.856 4.529 50 0 EJAARN COc1ccc(C)cc1NC(=O)CSCc1ccc(Cl)cc1 ZINC000000453624 563322330 /nfs/dbraw/zinc/32/23/30/563322330.db2.gz PMFZGKPGLVZKHB-UHFFFAOYSA-N 0 0 335.856 4.529 50 0 EJAARN CCCc1cc(=O)oc2c(C)c(OCc3ccc(F)cc3)ccc12 ZINC000000454784 563323273 /nfs/dbraw/zinc/32/32/73/563323273.db2.gz UVEMMMGUHPOPEG-UHFFFAOYSA-N 0 0 326.367 4.772 50 0 EJAARN O=Cc1c(OCc2ccc(Br)cc2)ccc2ccccc21 ZINC000000455041 563323289 /nfs/dbraw/zinc/32/32/89/563323289.db2.gz AHSMXACOKJVXDS-UHFFFAOYSA-N 0 0 341.204 4.994 50 0 EJAARN Cc1cc(NC(=O)Cc2ccc(Cl)cc2)ccc1Br ZINC000000456521 563324237 /nfs/dbraw/zinc/32/42/37/563324237.db2.gz WBIUAOZIJAXCHZ-UHFFFAOYSA-N 0 0 338.632 4.592 50 0 EJAARN COc1cc(OC)c(NC(=O)c2ccc(C)cc2Cl)cc1Cl ZINC000000458093 563325214 /nfs/dbraw/zinc/32/52/14/563325214.db2.gz YUQRQMVFAHOYEU-UHFFFAOYSA-N 0 0 340.206 4.571 50 0 EJAARN Cc1nn2c(ncc(-c3ccc(Cl)cc3)c2N)c1-c1ccccc1 ZINC000000464887 563328068 /nfs/dbraw/zinc/32/80/68/563328068.db2.gz MPVDKVICCJRDMW-UHFFFAOYSA-N 0 0 334.810 4.607 50 0 EJAARN Cc1ccc(Cc2cnc(NC(=O)c3ccccc3)s2)cc1Cl ZINC000000465860 563328456 /nfs/dbraw/zinc/32/84/56/563328456.db2.gz FBNMRISFTNUMNR-UHFFFAOYSA-N 0 0 342.851 4.948 50 0 EJAARN COc1ccc(CC(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc1 ZINC000000466790 563328784 /nfs/dbraw/zinc/32/87/84/563328784.db2.gz PAIVVBHWAVCZSJ-UHFFFAOYSA-N 0 0 347.414 4.977 50 0 EJAARN O=C(Nc1cccnc1)c1cccc(COc2ccccc2Cl)c1 ZINC000000467247 563328972 /nfs/dbraw/zinc/32/89/72/563328972.db2.gz MRYSLDZWVPNPQA-UHFFFAOYSA-N 0 0 338.794 4.566 50 0 EJAARN COc1ccc([C@H](NC(=O)CCc2ccccc2)c2ccccc2)cc1 ZINC000000467301 563329049 /nfs/dbraw/zinc/32/90/49/563329049.db2.gz WKDPAUGQBBETNR-HSZRJFAPSA-N 0 0 345.442 4.534 50 0 EJAARN O=C(NCc1ccc(Cl)cc1)Nc1ccc(Cl)cc1Cl ZINC000000471550 563331928 /nfs/dbraw/zinc/33/19/28/563331928.db2.gz JOPPZJKHUVOTTK-UHFFFAOYSA-N 0 0 329.614 4.969 50 0 EJAARN CCN(CC)c1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 ZINC000000474432 563333179 /nfs/dbraw/zinc/33/31/79/563333179.db2.gz NGACEDRMYFVWLD-AWEZNQCLSA-N 0 0 346.858 4.592 50 0 EJAARN O=C(COc1ccc2ccccc2c1)Nc1ccc(F)c(Cl)c1 ZINC000000474296 563333251 /nfs/dbraw/zinc/33/32/51/563333251.db2.gz OUHVNCKHCTXFJL-UHFFFAOYSA-N 0 0 329.758 4.650 50 0 EJAARN O=C(Nc1nc(-c2ccc(F)cc2)cs1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000000475849 563334153 /nfs/dbraw/zinc/33/41/53/563334153.db2.gz AEIJUXXVEWCNGC-HZPDHXFCSA-N 0 0 338.407 4.691 50 0 EJAARN CCOc1ccc(CC(=O)Nc2ccc(C)c(Cl)c2)cc1OCC ZINC000000477138 563335083 /nfs/dbraw/zinc/33/50/83/563335083.db2.gz GIDGRKGBFHDSAR-UHFFFAOYSA-N 0 0 347.842 4.627 50 0 EJAARN COc1ccc(NCc2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000000479328 563335793 /nfs/dbraw/zinc/33/57/93/563335793.db2.gz LTTVRPQKKIVCHC-UHFFFAOYSA-N 0 0 349.430 4.895 50 0 EJAARN CC(C)CNC(=O)c1ccc(COc2cccc3ccccc32)cc1 ZINC000000484230 563338046 /nfs/dbraw/zinc/33/80/46/563338046.db2.gz ILAOPXLIWRDSRJ-UHFFFAOYSA-N 0 0 333.431 4.805 50 0 EJAARN CC[C@H](C)c1ccc(OCC(=O)NC2C3CC4CC(C3)CC2C4)cc1 ZINC000000505821 563339295 /nfs/dbraw/zinc/33/92/95/563339295.db2.gz AFLSQYIEDHCLIE-WTHLRWBASA-N 0 0 341.495 4.520 50 0 EJAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)c1 ZINC000000514285 563339906 /nfs/dbraw/zinc/33/99/06/563339906.db2.gz ICSHMGSVEUABOZ-UHFFFAOYSA-N 0 0 337.444 4.771 50 0 EJAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccncc2)cc1 ZINC000000522740 563340641 /nfs/dbraw/zinc/34/06/41/563340641.db2.gz RDWVAWGIWUTCSH-UNMCSNQZSA-N 0 0 341.414 4.632 50 0 EJAARN Cn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccco1 ZINC000000530879 563342473 /nfs/dbraw/zinc/34/24/73/563342473.db2.gz DLEBWZGOIFCNCZ-UHFFFAOYSA-N 0 0 340.235 4.674 50 0 EJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)Cc1ccccc1 ZINC000000535081 563343491 /nfs/dbraw/zinc/34/34/91/563343491.db2.gz MSAGQCLFZKBAAI-UHFFFAOYSA-N 0 0 340.810 4.576 50 0 EJAARN CC(=O)c1sc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1N ZINC000000547142 563344446 /nfs/dbraw/zinc/34/44/46/563344446.db2.gz VIHKXMTUAAAEBX-UHFFFAOYSA-N 0 0 336.338 4.767 50 0 EJAARN CCN(CC)c1ccc(NC(=O)Cc2ccc(Cl)cc2)c(C)c1 ZINC000000557433 563345740 /nfs/dbraw/zinc/34/57/40/563345740.db2.gz VDSCEDSRIXMRCM-UHFFFAOYSA-N 0 0 330.859 4.676 50 0 EJAARN COc1ccccc1C(=O)Nc1cccc(Cl)c1N1CCCCC1 ZINC000000556462 563345760 /nfs/dbraw/zinc/34/57/60/563345760.db2.gz WNVZYZYDEMILPC-UHFFFAOYSA-N 0 0 344.842 4.591 50 0 EJAARN Cc1ccc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)c(C)c1 ZINC000000557949 563346409 /nfs/dbraw/zinc/34/64/09/563346409.db2.gz DPXNINMYPIUSII-UHFFFAOYSA-N 0 0 328.843 4.809 50 0 EJAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000000559883 563347032 /nfs/dbraw/zinc/34/70/32/563347032.db2.gz QCIXXKKLHKFGIA-UHFFFAOYSA-N 0 0 349.261 4.775 50 0 EJAARN C[C@H](NC(=O)CSCc1c(F)cccc1Cl)c1ccccc1 ZINC000000571802 563350109 /nfs/dbraw/zinc/35/01/09/563350109.db2.gz PCQMXTKVLBHSQN-LBPRGKRZSA-N 0 0 337.847 4.590 50 0 EJAARN Cc1cc(C)cc(COc2cc3oc(=O)cc(C)c3cc2Cl)c1 ZINC000000608489 563352209 /nfs/dbraw/zinc/35/22/09/563352209.db2.gz VUQRANZXCJNBAT-UHFFFAOYSA-N 0 0 328.795 4.951 50 0 EJAARN Cc1ccc(NC(=O)CSc2cc(C)c3ccccc3n2)c(C)c1 ZINC000000608856 563352484 /nfs/dbraw/zinc/35/24/84/563352484.db2.gz CEXQQPCUOYDLEW-UHFFFAOYSA-N 0 0 336.460 4.891 50 0 EJAARN COc1ccc(C(C)(C)C)cc1NC(=S)NCCc1ccccc1 ZINC000000610690 563353732 /nfs/dbraw/zinc/35/37/32/563353732.db2.gz UZPCCBXSFPUYQA-UHFFFAOYSA-N 0 0 342.508 4.522 50 0 EJAARN Cc1ccc(OC(F)F)c(NC(=S)Nc2cccc(F)c2)c1 ZINC000000611777 563354794 /nfs/dbraw/zinc/35/47/94/563354794.db2.gz RWRYRFGOSOUELL-UHFFFAOYSA-N 0 0 326.343 4.544 50 0 EJAARN O[C@@H](c1nc2ccccc2n1Cc1ccccc1Cl)c1ccccc1 ZINC000000612837 563355739 /nfs/dbraw/zinc/35/57/39/563355739.db2.gz LVSWGFXYXLQABN-HXUWFJFHSA-N 0 0 348.833 4.820 50 0 EJAARN CC(=O)c1cccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)c1 ZINC000000613015 563355743 /nfs/dbraw/zinc/35/57/43/563355743.db2.gz GQXSBFWEFDIJIM-UHFFFAOYSA-N 0 0 329.399 4.737 50 0 EJAARN CC(=O)Nc1cccc(-c2csc(Nc3ccc(O)cc3C)n2)c1 ZINC000000612802 563355746 /nfs/dbraw/zinc/35/57/46/563355746.db2.gz OPVCHAVLDICHNI-UHFFFAOYSA-N 0 0 339.420 4.526 50 0 EJAARN O[C@H](c1nc2ccccc2n1Cc1cccc(Cl)c1)c1ccccc1 ZINC000000613446 563356417 /nfs/dbraw/zinc/35/64/17/563356417.db2.gz HCONHCWRFGZFEL-FQEVSTJZSA-N 0 0 348.833 4.820 50 0 EJAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(OC(C)C)cc1 ZINC000000617332 563359203 /nfs/dbraw/zinc/35/92/03/563359203.db2.gz RZCQVKVNUWCYGE-UHFFFAOYSA-N 0 0 336.391 4.690 50 0 EJAARN O=C(CCc1ccccc1)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000000617542 563359462 /nfs/dbraw/zinc/35/94/62/563359462.db2.gz CZNZAURIXRURRH-UHFFFAOYSA-N 0 0 342.870 4.902 50 0 EJAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1Oc1ccccc1 ZINC000000617995 563359931 /nfs/dbraw/zinc/35/99/31/563359931.db2.gz ZISSNHZSMASJSU-UHFFFAOYSA-N 0 0 347.370 4.502 50 0 EJAARN CC(=O)Nc1ccccc1NC(=O)c1ccccc1-c1ccccc1 ZINC000000618357 563360237 /nfs/dbraw/zinc/36/02/37/563360237.db2.gz IRNZGELPMQOBJJ-UHFFFAOYSA-N 0 0 330.387 4.564 50 0 EJAARN O=C(CCc1nc2ccccc2s1)c1ccc(Br)cc1 ZINC000000619208 563361016 /nfs/dbraw/zinc/36/10/16/563361016.db2.gz GRAWJVUIFVOYLU-UHFFFAOYSA-N 0 0 346.249 4.874 50 0 EJAARN C[C@@H](Oc1cccc(NC(=O)c2ccccc2)c1)C(=O)c1ccccc1 ZINC000000619756 563361335 /nfs/dbraw/zinc/36/13/35/563361335.db2.gz AIGSIKMOIYOLFB-MRXNPFEDSA-N 0 0 345.398 4.589 50 0 EJAARN CC(C)(C)c1cc(NC(=O)Nc2ccccc2C(F)(F)F)no1 ZINC000000621249 563362026 /nfs/dbraw/zinc/36/20/26/563362026.db2.gz QLYRYTTVTAYDLF-UHFFFAOYSA-N 0 0 327.306 4.635 50 0 EJAARN COc1cccc(C(=O)N[C@@H](c2ccccc2)c2cc(C)ccc2C)c1 ZINC000000620823 563362103 /nfs/dbraw/zinc/36/21/03/563362103.db2.gz WZWYSHPCOURSJD-QFIPXVFZSA-N 0 0 345.442 4.831 50 0 EJAARN CCc1cccc(CC)c1NC(=O)c1cccc(NC(=O)C(C)C)c1 ZINC000000620820 563362114 /nfs/dbraw/zinc/36/21/14/563362114.db2.gz IKAWCVNZCYVHEB-UHFFFAOYSA-N 0 0 338.451 4.658 50 0 EJAARN COc1ccc(Cl)cc1NC(=O)Cc1cccc2ccccc21 ZINC000000711675 563362736 /nfs/dbraw/zinc/36/27/36/563362736.db2.gz CRBZXQHEIOUEHO-UHFFFAOYSA-N 0 0 325.795 4.683 50 0 EJAARN CSc1ccc(-c2nn(-c3ccc(Cl)cc3)cc2C=O)cc1 ZINC000000732195 563362795 /nfs/dbraw/zinc/36/27/95/563362795.db2.gz UAXDMJWJLRHEOU-UHFFFAOYSA-N 0 0 328.824 4.727 50 0 EJAARN Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4cccnc4)c3)oc2c1 ZINC000000848955 563364486 /nfs/dbraw/zinc/36/44/86/563364486.db2.gz XVHXUZKSYZJJRF-UHFFFAOYSA-N 0 0 343.386 4.759 50 0 EJAARN O=C(Cc1ccccc1)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000000858989 563364927 /nfs/dbraw/zinc/36/49/27/563364927.db2.gz NYKOQNUUHSBWQR-UHFFFAOYSA-N 0 0 328.843 4.512 50 0 EJAARN CCC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000000860244 563365574 /nfs/dbraw/zinc/36/55/74/563365574.db2.gz UASZHSKJMLAUBY-UHFFFAOYSA-N 0 0 344.414 4.954 50 0 EJAARN CCc1ccccc1-n1ncc(C(=O)Nc2cc(C)ccc2C)c1C ZINC000001018248 563369048 /nfs/dbraw/zinc/36/90/48/563369048.db2.gz MVQPJNUKDWKQJR-UHFFFAOYSA-N 0 0 333.435 4.612 50 0 EJAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1nc2c(cccc2C)s1 ZINC000001055012 563370824 /nfs/dbraw/zinc/37/08/24/563370824.db2.gz OLXCORXPRGDJNF-UHFFFAOYSA-N 0 0 349.415 4.820 50 0 EJAARN Cc1onc(-c2ccccc2)c1C(=O)N[C@H](C)c1ccc(C)c(C)c1 ZINC000001055546 563371181 /nfs/dbraw/zinc/37/11/81/563371181.db2.gz OXZPHYWXQKNMSW-OAHLLOKOSA-N 0 0 334.419 4.758 50 0 EJAARN C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000001066938 563372877 /nfs/dbraw/zinc/37/28/77/563372877.db2.gz NJEYMNJTVIJLJZ-MRXNPFEDSA-N 0 0 333.387 4.885 50 0 EJAARN COc1c(C)cccc1C(=O)Nc1cccc(Cl)c1N1CCCC1 ZINC000001070413 563373168 /nfs/dbraw/zinc/37/31/68/563373168.db2.gz VOOKONIRSMZBRC-UHFFFAOYSA-N 0 0 344.842 4.510 50 0 EJAARN COc1cccc(C(=O)Nc2ccccc2[C@H]2CC2(Cl)Cl)c1 ZINC000001078951 563373881 /nfs/dbraw/zinc/37/38/81/563373881.db2.gz NTYQUJZBKZOAQX-CQSZACIVSA-N 0 0 336.218 4.609 50 0 EJAARN CCC1(CC)Cc2ccccc2-c2nc(-c3ccccc3)oc(=O)c21 ZINC000001179615 563377651 /nfs/dbraw/zinc/37/76/51/563377651.db2.gz MVQUVISFHVBFTO-UHFFFAOYSA-N 0 0 331.415 4.983 50 0 aggregator EJAARN Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)N2CCCCC2)c1 ZINC000001191984 563378389 /nfs/dbraw/zinc/37/83/89/563378389.db2.gz FVKBUYQQOHDPOX-NRFANRHFSA-N 0 0 333.475 4.622 50 0 EJAARN O=C(NCc1ccccc1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000001218317 563379799 /nfs/dbraw/zinc/37/97/99/563379799.db2.gz KSRSMDNYJFNTHG-FQEVSTJZSA-N 0 0 333.456 4.836 50 0 EJAARN O=C(NCc1ccccc1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000001218316 563379897 /nfs/dbraw/zinc/37/98/97/563379897.db2.gz KSRSMDNYJFNTHG-HXUWFJFHSA-N 0 0 333.456 4.836 50 0 EJAARN O=C(Nc1nnc(-c2cccs2)s1)Nc1ccc(Cl)cc1 ZINC000001257999 563381743 /nfs/dbraw/zinc/38/17/43/563381743.db2.gz YDWZQOJVQGNSKW-UHFFFAOYSA-N 0 0 336.829 4.564 50 0 EJAARN Cc1c2cc(Br)ccc2oc1C(=O)c1ccc(F)cc1 ZINC000001385001 563384987 /nfs/dbraw/zinc/38/49/87/563384987.db2.gz CADXZUKRPPUGFK-UHFFFAOYSA-N 0 0 333.156 4.874 50 0 EJAARN COC(=O)Cc1sc(-c2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000001388814 563385350 /nfs/dbraw/zinc/38/53/50/563385350.db2.gz YWODRFOXLUMXRD-UHFFFAOYSA-N 0 0 343.835 4.846 50 0 EJAARN CCSC(NC(=O)Nc1ccc(Cl)cc1Cl)SCC ZINC000001390994 563385659 /nfs/dbraw/zinc/38/56/59/563385659.db2.gz FXEGYOAEZKSDLZ-UHFFFAOYSA-N 0 0 339.313 4.905 50 0 EJAARN CCOC(=O)N[C@@H](c1cccc(Cl)c1)[C@H]1CCCCCCC1=O ZINC000001394523 563386385 /nfs/dbraw/zinc/38/63/85/563386385.db2.gz CVEKVYYXCUMZNZ-RDJZCZTQSA-N 0 0 337.847 4.667 50 0 EJAARN COC(=O)[C@H](CC(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000001397580 563386759 /nfs/dbraw/zinc/38/67/59/563386759.db2.gz DFDYMDVBOAHPOF-OAHLLOKOSA-N 0 0 337.202 4.523 50 0 EJAARN Fc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN32)c1 ZINC000001407907 563388142 /nfs/dbraw/zinc/38/81/42/563388142.db2.gz SKTFDNYNCRPXCA-XLIONFOSSA-N 0 0 334.350 4.661 50 0 EJAARN O=C(CSc1nccn1Cc1ccccc1)c1ccc(Cl)cc1 ZINC000001440965 563389150 /nfs/dbraw/zinc/38/91/50/563389150.db2.gz PKAMSWYESLLICT-UHFFFAOYSA-N 0 0 342.851 4.560 50 0 EJAARN CCCC(=O)Nc1ccc(Cc2ccc(NC(=O)CCC)cc2)cc1 ZINC000001518644 563391318 /nfs/dbraw/zinc/39/13/18/563391318.db2.gz ROQRJUZCYUTRQR-UHFFFAOYSA-N 0 0 338.451 4.755 50 0 EJAARN CCCCOc1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000001771590 563410186 /nfs/dbraw/zinc/41/01/86/563410186.db2.gz CFWWEAYCPQGPRT-UHFFFAOYSA-N 0 0 348.240 4.880 50 0 EJAARN CCCCOc1ccccc1NC(=O)c1cccc(Br)c1 ZINC000001777617 563411222 /nfs/dbraw/zinc/41/12/22/563411222.db2.gz MHWUSEOFSJCLDQ-UHFFFAOYSA-N 0 0 348.240 4.880 50 0 EJAARN CCCCOc1ccc(C=CC(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000001779245 563411530 /nfs/dbraw/zinc/41/15/30/563411530.db2.gz ZZEMPXZLJRKBKF-JLHYYAGUSA-N 0 0 337.419 4.720 50 0 EJAARN COCCNc1nc(-c2ccc(C(C)(C)C)cc2)nc2ccccc21 ZINC000001904942 563415855 /nfs/dbraw/zinc/41/58/55/563415855.db2.gz OLSSRKIIWAFYER-UHFFFAOYSA-N 0 0 335.451 4.653 50 0 EJAARN CCOc1ccccc1OC(=O)CCCOc1ccc(Cl)cc1 ZINC000001904085 563415857 /nfs/dbraw/zinc/41/58/57/563415857.db2.gz UJDLQHIHAREIRL-UHFFFAOYSA-N 0 0 334.799 4.503 50 0 EJAARN COc1cc(Cl)c(C)cc1NC(=O)CCCOc1ccc(C)cc1 ZINC000001910562 563416195 /nfs/dbraw/zinc/41/61/95/563416195.db2.gz QKXVSFQIKUOOGL-UHFFFAOYSA-N 0 0 347.842 4.763 50 0 EJAARN O=c1c2ccccc2oc(-c2ccco2)c1OCc1ccc(F)cc1 ZINC000001978252 563417542 /nfs/dbraw/zinc/41/75/42/563417542.db2.gz KETBGMJJVHIGMN-UHFFFAOYSA-N 0 0 336.318 4.771 50 0 EJAARN CCN(CC)c1nc(-c2ccc(Cl)cc2)nnc1-c1ccccc1 ZINC000002050006 563419377 /nfs/dbraw/zinc/41/93/77/563419377.db2.gz RCVJZCOLWWDDHS-UHFFFAOYSA-N 0 0 338.842 4.705 50 0 EJAARN O=S(=O)(Oc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000002048793 563419443 /nfs/dbraw/zinc/41/94/43/563419443.db2.gz RBPTUBVRUOCUON-UHFFFAOYSA-N 0 0 344.819 4.775 50 0 EJAARN Cc1ccc(OC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1C ZINC000002184165 563425926 /nfs/dbraw/zinc/42/59/26/563425926.db2.gz IYVRPHFVFYPMIM-SFHVURJKSA-N 0 0 345.442 4.851 50 0 EJAARN CCCCc1cc(=O)oc2cc(OCc3ccc(OC)cc3)ccc12 ZINC000002239652 563427643 /nfs/dbraw/zinc/42/76/43/563427643.db2.gz PQVURSHDKSBAPB-UHFFFAOYSA-N 0 0 338.403 4.723 50 0 biogenic EJAARN CCCCn1c2c(c(=S)nc1-c1ccccc1)COC(C)(C)C2 ZINC000002393388 563431627 /nfs/dbraw/zinc/43/16/27/563431627.db2.gz PSTKAXJKWUKLRP-UHFFFAOYSA-N 0 0 328.481 4.931 50 0 EJAARN O=C(c1cccc(CN2CC=CC2)c1)c1ccc(Cl)cc1Cl ZINC000002515416 563436562 /nfs/dbraw/zinc/43/65/62/563436562.db2.gz RSBBFRCXJBLGDW-UHFFFAOYSA-N 0 0 332.230 4.596 50 0 EJAARN O=C(c1cccc(CN2CC=CC2)c1)c1cc(Cl)cc(Cl)c1 ZINC000002515419 563436734 /nfs/dbraw/zinc/43/67/34/563436734.db2.gz LFODRXDUWVNIBY-UHFFFAOYSA-N 0 0 332.230 4.596 50 0 EJAARN CSc1ccc(CCC(=O)c2ccc(Br)cc2)cc1 ZINC000002516657 563437285 /nfs/dbraw/zinc/43/72/85/563437285.db2.gz XJJWACAKGRLUDI-UHFFFAOYSA-N 0 0 335.266 4.987 50 0 EJAARN CC1(C)COC(CCCC(=O)c2c(Cl)cccc2Cl)OC1 ZINC000002518146 563438373 /nfs/dbraw/zinc/43/83/73/563438373.db2.gz OLIYIOHDUSFDCP-UHFFFAOYSA-N 0 0 331.239 4.746 50 0 EJAARN CCCCn1nc(NC(=O)CC(C)C)c2cc3cccc(C)c3nc21 ZINC000002588352 563443591 /nfs/dbraw/zinc/44/35/91/563443591.db2.gz MDZQJNCDLMDEPT-UHFFFAOYSA-N 0 0 338.455 4.678 50 0 EJAARN Cc1ccc(C(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)cc1 ZINC000002669173 563445561 /nfs/dbraw/zinc/44/55/61/563445561.db2.gz BIMVDHDGEUJHAB-UHFFFAOYSA-N 0 0 342.851 4.948 50 0 EJAARN CCCOc1ccc([C@H]2CC(=O)Nc3cc(C)c(C)cc32)cc1OC ZINC000002727183 563447025 /nfs/dbraw/zinc/44/70/25/563447025.db2.gz DNUDNJGSZBXILE-MRXNPFEDSA-N 0 0 339.435 4.575 50 0 EJAARN Cc1ccc(NC(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 ZINC000002744158 563448148 /nfs/dbraw/zinc/44/81/48/563448148.db2.gz ZNBXLFZVRHHHLA-UHFFFAOYSA-N 0 0 345.402 4.891 50 0 EJAARN Cc1cnc(NC(=O)c2ccc(COc3ccccc3Cl)o2)s1 ZINC000002767160 563450229 /nfs/dbraw/zinc/45/02/29/563450229.db2.gz GLQQWVPNIOAGRU-UHFFFAOYSA-N 0 0 348.811 4.529 50 0 EJAARN O=C(CCCc1ccccc1)Nc1nnc(C2CCCCC2)s1 ZINC000002773522 563450409 /nfs/dbraw/zinc/45/04/09/563450409.db2.gz RSZQKFTUEUZHHS-UHFFFAOYSA-N 0 0 329.469 4.547 50 0 EJAARN CCCC[C@@H](CC)CNC(=O)/C=C/c1ccc(Br)cc1 ZINC000002774127 563450476 /nfs/dbraw/zinc/45/04/76/563450476.db2.gz CJFQCRMOKGWYRC-BRADTZPFSA-N 0 0 338.289 4.795 50 0 EJAARN CCc1ccc(NC(=O)[C@]2(c3ccccc3)CC2(Cl)Cl)cc1 ZINC000002810771 563451636 /nfs/dbraw/zinc/45/16/36/563451636.db2.gz DWUFSHWKXKMCGU-QGZVFWFLSA-N 0 0 334.246 4.703 50 0 EJAARN Cc1cc(C)cc(NC(=O)[C@@]2(c3ccccc3)CC2(Cl)Cl)c1 ZINC000002815556 563452330 /nfs/dbraw/zinc/45/23/30/563452330.db2.gz WNDHZTJXSJIFJW-KRWDZBQOSA-N 0 0 334.246 4.758 50 0 EJAARN Cc1cc(C)c(S(=O)(=O)Oc2c(Cl)cccc2Cl)c(C)c1 ZINC000002835751 563453997 /nfs/dbraw/zinc/45/39/97/563453997.db2.gz WGTWVNCYCJOONF-UHFFFAOYSA-N 0 0 345.247 4.686 50 0 EJAARN Cc1cc(OCc2c(F)cccc2Cl)c2c(C)cc(=O)oc2c1 ZINC000002840419 563454615 /nfs/dbraw/zinc/45/46/15/563454615.db2.gz LPRHWAPBKAOCRO-UHFFFAOYSA-N 0 0 332.758 4.781 50 0 EJAARN CCCCc1cc(=O)oc2cc(OCc3ccc(F)cc3F)ccc12 ZINC000002841838 563454691 /nfs/dbraw/zinc/45/46/91/563454691.db2.gz OXEVUAZLZMBOKU-UHFFFAOYSA-N 0 0 344.357 4.993 50 0 EJAARN C[C@H](NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000002862806 563457413 /nfs/dbraw/zinc/45/74/13/563457413.db2.gz AFCZHRPRCWYZQN-HOTGVXAUSA-N 0 0 325.452 4.629 50 0 EJAARN C[C@@H](NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000002862805 563457459 /nfs/dbraw/zinc/45/74/59/563457459.db2.gz AFCZHRPRCWYZQN-HZPDHXFCSA-N 0 0 325.452 4.629 50 0 EJAARN Cc1cccc2c(C(=O)n3cccn3)cc(-c3ccccc3Cl)nc12 ZINC000002867593 563458388 /nfs/dbraw/zinc/45/83/88/563458388.db2.gz ACENVHMHQIXQNE-UHFFFAOYSA-N 0 0 347.805 4.749 50 0 EJAARN O=C(Nc1cccc(Cl)c1N1CCCC1)c1cccc(Cl)c1 ZINC000002874420 563459411 /nfs/dbraw/zinc/45/94/11/563459411.db2.gz KXLDMRWUEWXUMW-UHFFFAOYSA-N 0 0 335.234 4.846 50 0 EJAARN CCCCOc1ccccc1OCCn1cnc2cc(C)c(C)cc21 ZINC000002879721 563460442 /nfs/dbraw/zinc/46/04/42/563460442.db2.gz APONLIMMFMPYKF-UHFFFAOYSA-N 0 0 338.451 4.911 50 0 EJAARN Cc1ccc2[nH]c(-c3cccc(NC(=O)Cc4ccccc4)c3)nc2c1 ZINC000002879350 563460484 /nfs/dbraw/zinc/46/04/84/563460484.db2.gz XCTBWOASQJFCPF-UHFFFAOYSA-N 0 0 341.414 4.720 50 0 EJAARN CC(C)CCSc1nc2ccccc2c(=O)n1Cc1ccccc1 ZINC000002884632 563461405 /nfs/dbraw/zinc/46/14/05/563461405.db2.gz VEHOJDQFFBYMBS-UHFFFAOYSA-N 0 0 338.476 4.583 50 0 EJAARN COc1ccc(-c2noc(COc3cc(C)c(Cl)c(C)c3)n2)cc1 ZINC000002950783 563464359 /nfs/dbraw/zinc/46/43/59/563464359.db2.gz MQRWBGKWZXVINK-UHFFFAOYSA-N 0 0 344.798 4.594 50 0 EJAARN CCCCOc1cccc(C(=O)Nc2ccc(N3CCCC3)cc2)c1 ZINC000002946653 563464387 /nfs/dbraw/zinc/46/43/87/563464387.db2.gz GWIWHCAVQADAAB-UHFFFAOYSA-N 0 0 338.451 4.718 50 0 EJAARN C[C@H](Sc1ccccc1)C(=O)NCc1ccc(Cl)cc1Cl ZINC000002983034 563465852 /nfs/dbraw/zinc/46/58/52/563465852.db2.gz OWBWUKKMXQXIMA-NSHDSACASA-N 0 0 340.275 4.790 50 0 EJAARN O=C(/C=C/c1ccc(F)cc1)NCCSCc1ccc(Cl)cc1 ZINC000002983935 563466350 /nfs/dbraw/zinc/46/63/50/563466350.db2.gz FRVYDKVTQXXBSW-BJMVGYQFSA-N 0 0 349.858 4.542 50 0 EJAARN COc1ccc(OCCCOc2cccc(C(F)(F)F)c2)cc1 ZINC000002986922 563467112 /nfs/dbraw/zinc/46/71/12/563467112.db2.gz LJUBCTDURVMGAC-UHFFFAOYSA-N 0 0 326.314 4.562 50 0 EJAARN Cc1noc(NC(=O)Nc2c(C)onc2-c2ccccc2Cl)c1C ZINC000003126486 563473338 /nfs/dbraw/zinc/47/33/38/563473338.db2.gz KBPLWHQEPJQCJU-UHFFFAOYSA-N 0 0 346.774 4.552 50 0 EJAARN O=C(OCc1c(Cl)cccc1Cl)c1ccc(Br)o1 ZINC000003253967 563478118 /nfs/dbraw/zinc/47/81/18/563478118.db2.gz ZDEWHKLVICFQRO-UHFFFAOYSA-N 0 0 349.995 4.706 50 0 EJAARN Cc1[nH]nc(-c2ccccc2)c1NC(=O)Nc1cccc(Cl)c1 ZINC000034791960 563479247 /nfs/dbraw/zinc/47/92/47/563479247.db2.gz PKDXQBOQGWITJP-UHFFFAOYSA-N 0 0 326.787 4.683 50 0 EJAARN Cc1ccc(-c2n[nH]c(C3CC3)c2NC(=O)c2cccs2)c(C)c1 ZINC000034794836 563479988 /nfs/dbraw/zinc/47/99/88/563479988.db2.gz FQLFSRNNIOHXRE-UHFFFAOYSA-N 0 0 337.448 4.885 50 0 EJAARN Fc1cc(Cl)ccc1OCc1noc(-c2ccccc2Cl)n1 ZINC000034906918 563481333 /nfs/dbraw/zinc/48/13/33/563481333.db2.gz KHWPTLBNUZLIIV-UHFFFAOYSA-N 0 0 339.153 4.762 50 0 EJAARN CC(C)CC(=O)Nc1c(-c2ccc(Cl)cc2)nc2ccccn21 ZINC000034912532 563484941 /nfs/dbraw/zinc/48/49/41/563484941.db2.gz OTIJCDCHYDRYQL-UHFFFAOYSA-N 0 0 327.815 4.639 50 0 EJAARN Cc1ccc2nc(Cc3ccccc3)c(NC(=O)C3CCCCC3)n2c1 ZINC000034913138 563485055 /nfs/dbraw/zinc/48/50/55/563485055.db2.gz ACZKYLWFSDXKAV-UHFFFAOYSA-N 0 0 347.462 4.752 50 0 EJAARN CCCc1nnc(SCc2cccc(Oc3ccccc3)c2)[nH]1 ZINC000003905006 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Cc1c(C(=O)Nc2cccc3ccccc32)oc2c1[C@@H](O)CC(C)(C)C2 ZINC000013551236 563701534 /nfs/dbraw/zinc/70/15/34/563701534.db2.gz DWTILTPFXNFRAK-KRWDZBQOSA-N 0 0 349.430 4.999 50 0 EJAARN Cc1ccc(-c2nnc(NC(=O)Nc3ccccc3C)s2)cc1C ZINC000013570261 563702147 /nfs/dbraw/zinc/70/21/47/563702147.db2.gz QEOAWRALPFELRE-UHFFFAOYSA-N 0 0 338.436 4.774 50 0 EJAARN C[C@H](O)c1nc2ccccc2n1CCCOc1ccc2ccccc2c1 ZINC000013566037 563702248 /nfs/dbraw/zinc/70/22/48/563702248.db2.gz ATBUORYSCCMVFT-INIZCTEOSA-N 0 0 346.430 4.712 50 0 EJAARN O=C1OC(c2ccc3ccccc3c2)=N/C1=C\C=C\c1ccccc1 ZINC000013600963 563703581 /nfs/dbraw/zinc/70/35/81/563703581.db2.gz LUORJDCMIDPXOZ-LRFQPHQISA-N 0 0 325.367 4.741 50 0 EJAARN Cc1c2ccccc2oc1C(=O)Nc1ccnn1Cc1ccc(C)cc1 ZINC000013691896 563712582 /nfs/dbraw/zinc/71/25/82/563712582.db2.gz LKKYKANWOBYYJW-UHFFFAOYSA-N 0 0 345.402 4.547 50 0 EJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H](C)C(C)(C)C ZINC000013744463 563720274 /nfs/dbraw/zinc/72/02/74/563720274.db2.gz PJYOCGUCXDNKFO-JTQLQIEISA-N 0 0 338.810 4.607 50 0 EJAARN Cc1ccc(C(=O)[C@@H](C)OC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000032744882 563720943 /nfs/dbraw/zinc/72/09/43/563720943.db2.gz LRYCFICRWPIFAK-NOCBQHASSA-N 0 0 340.463 4.716 50 0 EJAARN CSCC[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(C)cc3)=NN21 ZINC000013759473 563721614 /nfs/dbraw/zinc/72/16/14/563721614.db2.gz PACSKYNGPFMXIT-QUCCMNQESA-N 0 0 338.476 4.618 50 0 EJAARN CCC[C@@H](NC(=O)c1ccc2nc(C)c(C)nc2c1)c1ccccc1 ZINC000032741348 563721840 /nfs/dbraw/zinc/72/18/40/563721840.db2.gz RKOPVNDOOYVFHT-GOSISDBHSA-N 0 0 333.435 4.518 50 0 EJAARN CCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C ZINC000013783451 563723266 /nfs/dbraw/zinc/72/32/66/563723266.db2.gz PQCRZWCSVWBYSC-MERXZDIISA-N 0 0 328.452 4.570 50 0 EJAARN CC[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(C)cc3)=NN21 ZINC000013810726 563724099 /nfs/dbraw/zinc/72/40/99/563724099.db2.gz CMKUHKJNAPHLJF-IEBWSBKVSA-N 0 0 326.827 4.928 50 0 EJAARN CN(Cc1ccc(F)c(F)c1)C(=O)c1sccc1-c1ccccc1 ZINC000032760765 563726862 /nfs/dbraw/zinc/72/68/62/563726862.db2.gz MOBSDYLMXPDDON-UHFFFAOYSA-N 0 0 343.398 4.966 50 0 EJAARN COc1ccc(Cl)cc1C(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000032754294 563727652 /nfs/dbraw/zinc/72/76/52/563727652.db2.gz PBRASEUULXDKLD-GFCCVEGCSA-N 0 0 343.810 4.928 50 0 EJAARN Cc1cccc(Oc2ccccc2NC(=O)[C@H]2Cc3ccccc3O2)c1 ZINC000032768276 563729850 /nfs/dbraw/zinc/72/98/50/563729850.db2.gz IQVGKMNCGLZPEP-OAQYLSRUSA-N 0 0 345.398 4.730 50 0 EJAARN Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000032772701 563731307 /nfs/dbraw/zinc/73/13/07/563731307.db2.gz GVMUWEVDJPFGJY-QGZVFWFLSA-N 0 0 336.460 4.972 50 0 EJAARN C[C@H](c1cc2ccccc2o1)N(C)C(=O)NCCc1cccc(F)c1 ZINC000032779707 563732751 /nfs/dbraw/zinc/73/27/51/563732751.db2.gz RHTYWCPKRMHKOF-CQSZACIVSA-N 0 0 340.398 4.517 50 0 EJAARN Cc1nc(-c2ccc(CNC(=O)Nc3cccc(C)c3)cc2)cs1 ZINC000014016525 563735782 /nfs/dbraw/zinc/73/57/82/563735782.db2.gz BUBVSSSWDVLHPN-UHFFFAOYSA-N 0 0 337.448 4.749 50 0 EJAARN O=C(c1cc2ccccc2[nH]1)N1CCC[C@H]1c1nc2ccccc2s1 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c1csc(-c2noc(CNC(c3ccccc3)c3ccccc3)n2)c1 ZINC000014169559 563746576 /nfs/dbraw/zinc/74/65/76/563746576.db2.gz FQUCNGSOLPXNSE-UHFFFAOYSA-N 0 0 347.443 4.677 50 0 EJAARN O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1c[nH]c2ccccc12 ZINC000014170598 563747079 /nfs/dbraw/zinc/74/70/79/563747079.db2.gz PMFCZZLBLPKGHU-QFIPXVFZSA-N 0 0 340.426 4.882 50 0 EJAARN C[C@H](NC(=O)Cc1noc2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000014185044 563748140 /nfs/dbraw/zinc/74/81/40/563748140.db2.gz GSBCKCZOQRXZMS-JTQLQIEISA-N 0 0 349.217 4.555 50 0 EJAARN O=C(Nc1ccccc1Cl)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000014206993 563750774 /nfs/dbraw/zinc/75/07/74/563750774.db2.gz GBDBIWKLIXCYAO-UHFFFAOYSA-N 0 0 332.190 4.636 50 0 EJAARN CN(Cc1ccco1)C(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000014227531 563752485 /nfs/dbraw/zinc/75/24/85/563752485.db2.gz UECMVERESGXSRJ-UHFFFAOYSA-N 0 0 348.427 4.829 50 0 EJAARN C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCCSc2ccccc21 ZINC000014229749 563752848 /nfs/dbraw/zinc/75/28/48/563752848.db2.gz IEHXZVNZBJNVFG-ZDUSSCGKSA-N 0 0 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/nfs/dbraw/zinc/77/87/55/563778755.db2.gz LUVNQXGFDOLXFY-UHFFFAOYSA-N 0 0 340.810 4.677 50 0 EJAARN O=C(Cc1cccc2ccccc21)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000032895206 563780732 /nfs/dbraw/zinc/78/07/32/563780732.db2.gz BNWPFGUDAYPKHR-HZPDHXFCSA-N 0 0 335.369 4.620 50 0 EJAARN COc1ccc(OC)c(C(=O)Oc2ccc(C(C)(C)C)cc2C)c1 ZINC000015356249 563783520 /nfs/dbraw/zinc/78/35/20/563783520.db2.gz FGMFYAWOAODIQF-UHFFFAOYSA-N 0 0 328.408 4.529 50 0 EJAARN O=C(Nc1ccc(F)cc1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000015439608 563784129 /nfs/dbraw/zinc/78/41/29/563784129.db2.gz VNJXCDBVOHTOQQ-UHFFFAOYSA-N 0 0 343.361 4.688 50 0 EJAARN CSc1ccc(Cl)c(C(=O)N(Cc2cccnc2)C(C)C)c1 ZINC000060102524 563784156 /nfs/dbraw/zinc/78/41/56/563784156.db2.gz ZQQVDLXWHMYCON-UHFFFAOYSA-N 0 0 334.872 4.508 50 0 EJAARN CC(=O)c1cc(Cl)ccc1OCc1cc(-c2ccccc2)on1 ZINC000015524942 563786161 /nfs/dbraw/zinc/78/61/61/563786161.db2.gz DDZJYMOJIGOQFZ-UHFFFAOYSA-N 0 0 327.767 4.777 50 0 EJAARN O=C(c1ccc(F)c(F)c1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000015541967 563786540 /nfs/dbraw/zinc/78/65/40/563786540.db2.gz JVNNBNRYPXABJH-HNNXBMFYSA-N 0 0 344.386 4.552 50 0 EJAARN COc1ccc([C@H]2Nc3scc(-c4ccccc4)c3C(=O)N2)cc1 ZINC000004571758 563788784 /nfs/dbraw/zinc/78/87/84/563788784.db2.gz GKUNFYCWCFZHKB-QGZVFWFLSA-N 0 0 336.416 4.853 50 0 EJAARN CC(=O)Nc1cccc(C(=O)Nc2ccccc2-c2ccccc2)c1 ZINC000015643827 563789444 /nfs/dbraw/zinc/78/94/44/563789444.db2.gz RWCOXSWOCPORRU-UHFFFAOYSA-N 0 0 330.387 4.564 50 0 EJAARN CCOc1ccc(-c2cc(C(=O)Oc3ccc(Cl)cc3)no2)cc1 ZINC000015669819 563789991 /nfs/dbraw/zinc/78/99/91/563789991.db2.gz CEQJSWVEMCAKLV-UHFFFAOYSA-N 0 0 343.766 4.613 50 0 EJAARN O=C(Nc1ccccc1SCc1ccsc1)c1ccncc1 ZINC000015720095 563791090 /nfs/dbraw/zinc/79/10/90/563791090.db2.gz KTMSCHFBBBDYQE-UHFFFAOYSA-N 0 0 326.446 4.688 50 0 EJAARN Cc1c2cc(C)c(C)cc2oc1C(=O)Nc1nc2c(s1)CCCC2 ZINC000015832130 563793451 /nfs/dbraw/zinc/79/34/51/563793451.db2.gz KDIDEFJINUIZJN-UHFFFAOYSA-N 0 0 340.448 4.946 50 0 EJAARN Cc1c2ccc(C)cc2oc1C(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000015833212 563793651 /nfs/dbraw/zinc/79/36/51/563793651.db2.gz QQVCMFQWOUIUAW-LLVKDONJSA-N 0 0 340.448 4.883 50 0 EJAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc3ccc(C)nc32)c1 ZINC000015835290 563794100 /nfs/dbraw/zinc/79/41/00/563794100.db2.gz LREAKBSSZJEUJJ-UHFFFAOYSA-N 0 0 348.446 4.993 50 0 EJAARN COc1ccc2c(c1)C=C(C(=O)Nc1ccc(C(C)C)cc1)C=CO2 ZINC000015838762 563794895 /nfs/dbraw/zinc/79/48/95/563794895.db2.gz ATKQFKCSHMXFEQ-UHFFFAOYSA-N 0 0 335.403 4.747 50 0 EJAARN Cc1ccc([C@@H]2CCCCCN2C(=O)NCCc2ccccc2)s1 ZINC000015867127 563798627 /nfs/dbraw/zinc/79/86/27/563798627.db2.gz JEVQCYJROZMVNK-SFHVURJKSA-N 0 0 342.508 4.926 50 0 EJAARN COc1cc(C)c(NC(=O)CCCSc2ccccc2)cc1OC ZINC000015948874 563800808 /nfs/dbraw/zinc/80/08/08/563800808.db2.gz CBSUHNBXHDWMLR-UHFFFAOYSA-N 0 0 345.464 4.523 50 0 EJAARN CCOc1ccc(SCC(=O)Nc2ccccc2SC)cc1 ZINC000016168357 563805204 /nfs/dbraw/zinc/80/52/04/563805204.db2.gz JSTYNOBDNMRHQS-UHFFFAOYSA-N 0 0 333.478 4.538 50 0 EJAARN CCSc1ccccc1C(=O)Nc1nc2c(cccc2C)s1 ZINC000004585696 563806803 /nfs/dbraw/zinc/80/68/03/563806803.db2.gz MNJIBOLIZZHQCJ-UHFFFAOYSA-N 0 0 328.462 4.969 50 0 EJAARN Cc1ccc2[nH]c(SCc3cc4c(cc3Cl)OCO4)nc2c1 ZINC000016348346 563809396 /nfs/dbraw/zinc/80/93/96/563809396.db2.gz NYNUYOFTQQZVCK-UHFFFAOYSA-N 0 0 332.812 4.546 50 0 EJAARN Clc1c2ccccc2sc1-c1nnc([C@@H]2CC23CCOCC3)o1 ZINC000521393857 563813552 /nfs/dbraw/zinc/81/35/52/563813552.db2.gz FVCHKLCRHZYURW-NSHDSACASA-N 0 0 346.839 4.889 50 0 EJAARN O=C(Nc1cccc(OCc2ccncc2)c1)c1ccc(Cl)s1 ZINC000032915681 563813637 /nfs/dbraw/zinc/81/36/37/563813637.db2.gz MWXBVIMGTWWHJO-UHFFFAOYSA-N 0 0 344.823 4.628 50 0 EJAARN O=C(CCSc1ccccc1)Nc1nnc(C2CCCCC2)s1 ZINC000016722203 563821834 /nfs/dbraw/zinc/82/18/34/563821834.db2.gz SUKRVZWBBZKVAQ-UHFFFAOYSA-N 0 0 347.509 4.707 50 0 EJAARN Cc1ccc(O)c([C@@H](CC(=O)NCc2ccccc2)c2ccccc2)c1 ZINC000016849241 563824725 /nfs/dbraw/zinc/82/47/25/563824725.db2.gz SATMBNQOXWPQSE-FQEVSTJZSA-N 0 0 345.442 4.539 50 0 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337.492 4.684 50 0 EJAARN Cc1ccsc1/C=C1\SC(=O)N(c2cccc(Cl)c2)C1=O ZINC000017150276 563838844 /nfs/dbraw/zinc/83/88/44/563838844.db2.gz FXYYDGAVRCVAFB-JYRVWZFOSA-N 0 0 335.837 4.951 50 0 EJAARN C[C@H](NC(=O)c1cc(Cl)ccc1F)c1cccc(OC(F)F)c1 ZINC000032931096 563842352 /nfs/dbraw/zinc/84/23/52/563842352.db2.gz VUGBPOZXRNQWIV-VIFPVBQESA-N 0 0 343.732 4.572 50 0 EJAARN COc1ccc2c(c1)CC/C(=C/c1ccc(Br)cc1)C2=O ZINC000000439585 563843473 /nfs/dbraw/zinc/84/34/73/563843473.db2.gz KDXPBXKMTJKZLE-UVTDQMKNSA-N 0 0 343.220 4.670 50 0 EJAARN O=C(NCc1cccs1)NCc1cccc(Oc2ccccc2)c1 ZINC000032933425 563844767 /nfs/dbraw/zinc/84/47/67/563844767.db2.gz YSENOPYBALTAGX-UHFFFAOYSA-N 0 0 338.432 4.540 50 0 EJAARN O=c1cc(-c2ccccc2)nc(SCc2c(F)cccc2Cl)[nH]1 ZINC000018028912 563847472 /nfs/dbraw/zinc/84/74/72/563847472.db2.gz ZKPGOXQBDOUPII-UHFFFAOYSA-N 0 0 346.814 4.522 50 0 EJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000018164067 563850001 /nfs/dbraw/zinc/85/00/01/563850001.db2.gz OVSIHFXJPAGPAX-TXEJJXNPSA-N 0 0 332.831 4.707 50 0 EJAARN CC(=C/c1ccccc1)/C=C1\S/C(=N\c2ccc(F)cc2)NC1=O ZINC000001452209 563860485 /nfs/dbraw/zinc/86/04/85/563860485.db2.gz DIJXSWMUSVTELN-RQGFIEOQSA-N 0 0 338.407 4.664 50 0 EJAARN CC(C)c1ccc(Nc2nc(N)c(C(=O)c3ccccc3)s2)cc1 ZINC000032947601 563864342 /nfs/dbraw/zinc/86/43/42/563864342.db2.gz PFZFBGNJOJZPIN-UHFFFAOYSA-N 0 0 337.448 4.823 50 0 EJAARN Cc1nc2ccc(NC(=O)N3CCC[C@H]3c3ccccc3)cc2s1 ZINC000043375739 563865590 /nfs/dbraw/zinc/86/55/90/563865590.db2.gz NQKCOEKOXTUKDL-KRWDZBQOSA-N 0 0 337.448 4.974 50 0 EJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc2ccccc2c1 ZINC000006244291 563868170 /nfs/dbraw/zinc/86/81/70/563868170.db2.gz BPWDXVXLRMKNRP-UHFFFAOYSA-N 0 0 331.293 4.991 50 0 EJAARN Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000024485126 563872005 /nfs/dbraw/zinc/87/20/05/563872005.db2.gz DNDNJSUNACZAMV-UHFFFAOYSA-N 0 0 333.218 4.964 50 0 EJAARN CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1cc(C)nc(C)n1 ZINC000024568472 563872507 /nfs/dbraw/zinc/87/25/07/563872507.db2.gz HPDBFDQHEVZQMD-OCCSQVGLSA-N 0 0 343.496 4.726 50 0 EJAARN O=C([C@H]1Cc2ccccc2S1)N(Cc1ccccc1)c1ccccc1 ZINC000024955689 563878192 /nfs/dbraw/zinc/87/81/92/563878192.db2.gz YLRSRRZMDDXKSN-OAQYLSRUSA-N 0 0 345.467 4.937 50 0 EJAARN C[C@H]1CCCN(C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 ZINC000024991805 563879455 /nfs/dbraw/zinc/87/94/55/563879455.db2.gz QKBXOTJFTLEFLK-LBPRGKRZSA-N 0 0 337.341 4.838 50 0 EJAARN C[C@H](Sc1ccc(C(C)(C)C)cc1)C(=O)NCc1cccs1 ZINC000025722541 563887665 /nfs/dbraw/zinc/88/76/65/563887665.db2.gz ONEOBSRVVXCMSV-ZDUSSCGKSA-N 0 0 333.522 4.843 50 0 EJAARN O=C(Nc1ccccc1N1CCc2ccccc2C1)c1cccs1 ZINC000025798379 563888611 /nfs/dbraw/zinc/88/86/11/563888611.db2.gz XYXSFWMXAASQBI-UHFFFAOYSA-N 0 0 334.444 4.563 50 0 EJAARN COc1ccc2cc(/C=C/C(=O)NCc3sccc3C)ccc2c1 ZINC000025999230 563889602 /nfs/dbraw/zinc/88/96/02/563889602.db2.gz HNGXFBWLEINQCK-XBXARRHUSA-N 0 0 337.444 4.548 50 0 EJAARN Cc1nc2ccc(Cl)cc2cc1C(=O)N[C@@H](C)c1ccccc1F 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Cc1cc(C(=O)Nc2nc(-c3cccc(F)c3)cs2)c(C)s1 ZINC000029354761 563905839 /nfs/dbraw/zinc/90/58/39/563905839.db2.gz NXCWDJYODNYYHP-UHFFFAOYSA-N 0 0 332.425 4.880 50 0 EJAARN O=C(NCCc1c[nH]c2ccccc12)Nc1cccc2ccccc21 ZINC000000472214 563905990 /nfs/dbraw/zinc/90/59/90/563905990.db2.gz ZXDVNISSIZVULA-UHFFFAOYSA-N 0 0 329.403 4.685 50 0 EJAARN O=C(CCc1ccsc1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000029702044 563908020 /nfs/dbraw/zinc/90/80/20/563908020.db2.gz QILXHUKFJCMCNR-NRFANRHFSA-N 0 0 347.483 4.855 50 0 EJAARN C[C@@H](Sc1nc2ccccc2s1)c1nc(-c2ccco2)no1 ZINC000029738105 563908220 /nfs/dbraw/zinc/90/82/20/563908220.db2.gz QGGQWJOFNJPFTA-SECBINFHSA-N 0 0 329.406 4.793 50 0 EJAARN C[C@H]1Cc2ccc(F)cc2CN1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000072291977 563909314 /nfs/dbraw/zinc/90/93/14/563909314.db2.gz WKMGLPYBNDZNHO-JTQLQIEISA-N 0 0 336.769 4.597 50 0 EJAARN CC(C)COc1ccc(NC(=O)c2cc(Cl)ccn2)cc1Cl ZINC000030187885 563909584 /nfs/dbraw/zinc/90/95/84/563909584.db2.gz HRAZESTZMIIPAR-UHFFFAOYSA-N 0 0 339.222 4.676 50 0 EJAARN C[C@H](C(=O)N(C)[C@H](C)c1cc2ccccc2o1)n1cnc2ccccc21 ZINC000030606098 563910052 /nfs/dbraw/zinc/91/00/52/563910052.db2.gz KMBSWAXMFUQEEJ-HUUCEWRRSA-N 0 0 347.418 4.563 50 0 EJAARN Cc1coc2cc3oc(=O)cc(-c4cc5ccccc5oc4=O)c3cc12 ZINC000030819589 563910828 /nfs/dbraw/zinc/91/08/28/563910828.db2.gz VMEALEWVWSMCAP-UHFFFAOYSA-N 0 0 344.322 4.621 50 0 biogenic EJAARN S=C(Nc1ccccc1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000011084570 563913686 /nfs/dbraw/zinc/91/36/86/563913686.db2.gz AFDPHEQGFVAWAO-UHFFFAOYSA-N 0 0 333.460 4.654 50 0 EJAARN O=C(c1cc(-c2ccc(Cl)cc2)on1)N1CCC[C@H]1c1ccco1 ZINC000033012303 563914783 /nfs/dbraw/zinc/91/47/83/563914783.db2.gz MHVFSOGNGZWGJO-HNNXBMFYSA-N 0 0 342.782 4.565 50 0 EJAARN Cc1noc(C)c1[C@@H]1CCCN1C(=O)Nc1cc(Cl)ccc1C ZINC000033270540 563915613 /nfs/dbraw/zinc/91/56/13/563915613.db2.gz QCIBWJDOZBMBKY-HNNXBMFYSA-N 0 0 333.819 4.622 50 0 EJAARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@@H](c2c(F)cccc2Cl)S1 ZINC000071284456 563915715 /nfs/dbraw/zinc/91/57/15/563915715.db2.gz 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/nfs/dbraw/zinc/91/90/19/563919019.db2.gz MFLKOPPGVUEJJJ-RVDMUPIBSA-N 0 0 329.827 4.712 50 0 EJAARN Fc1ccc(-c2nc(=S)c3c(n2Cc2ccco2)CCCC3)cc1 ZINC000005043098 563919190 /nfs/dbraw/zinc/91/91/90/563919190.db2.gz YQLHPJUDLXPYAD-UHFFFAOYSA-N 0 0 340.423 4.939 50 0 EJAARN CCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)Nc1ccc(F)cc1 ZINC000034796646 563919708 /nfs/dbraw/zinc/91/97/08/563919708.db2.gz WSEUCOQTUVOTKQ-UHFFFAOYSA-N 0 0 342.349 4.561 50 0 EJAARN O=C(Nc1c(-c2ccccc2)n[nH]c1C1CC1)c1ccccc1Cl ZINC000034796864 563919743 /nfs/dbraw/zinc/91/97/43/563919743.db2.gz ROYIAKBHHDZMEH-UHFFFAOYSA-N 0 0 337.810 4.860 50 0 EJAARN O=C(CCc1ccccc1Cl)NCc1cccc(C(F)(F)F)c1 ZINC000032994786 563921186 /nfs/dbraw/zinc/92/11/86/563921186.db2.gz FBMIBLUWOKIFCT-UHFFFAOYSA-N 0 0 341.760 4.608 50 0 EJAARN CCCCc1ccc(C2=NC(=CNc3ccc(C)cc3)C(=O)O2)cc1 ZINC000004590551 563924773 /nfs/dbraw/zinc/92/47/73/563924773.db2.gz SDLBRPQMJSKRDU-RGEXLXHISA-N 0 0 334.419 4.595 50 0 EJAARN CC(C)Oc1ccc(C(=O)CCCCC2OCC(C)(C)CO2)cc1 ZINC000043214499 563925501 /nfs/dbraw/zinc/92/55/01/563925501.db2.gz CWTQUCWXZCFPEE-UHFFFAOYSA-N 0 0 334.456 4.616 50 0 EJAARN COCCN(C(=S)Nc1c(C)cccc1C)[C@@H](C)c1cccs1 ZINC000013544688 563929925 /nfs/dbraw/zinc/92/99/25/563929925.db2.gz MEUGQKQALBAUOQ-HNNXBMFYSA-N 0 0 348.537 4.771 50 0 EJAARN O=c1[nH]c2ccccc2c(-c2ccc(Cl)cc2)c1N1CCCCC1 ZINC000072314510 563930670 /nfs/dbraw/zinc/93/06/70/563930670.db2.gz MQXGAVGPWDLUIM-UHFFFAOYSA-N 0 0 338.838 4.839 50 0 EJAARN Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)Nc1ccc(Cl)cc1 ZINC000004614298 563931879 /nfs/dbraw/zinc/93/18/79/563931879.db2.gz DCQAYXJZBXJJCA-UHFFFAOYSA-N 0 0 326.827 4.928 50 0 EJAARN O=C(COc1ccccc1)Nc1ccc(-c2cc3ccccc3[nH]2)cc1 ZINC000033036478 563932459 /nfs/dbraw/zinc/93/24/59/563932459.db2.gz DMHOBWXFUNCDMW-UHFFFAOYSA-N 0 0 342.398 4.852 50 0 EJAARN Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)/C=C/c1ccco1 ZINC000053424001 563932672 /nfs/dbraw/zinc/93/26/72/563932672.db2.gz SYCJTBQVOCEHOH-OCHBPSSRSA-N 0 0 338.432 4.602 50 0 EJAARN Cc1ccccc1-c1cc2nccc(-c3cc(Cl)ccc3O)n2n1 ZINC000013828326 563935121 /nfs/dbraw/zinc/93/51/21/563935121.db2.gz CJTDYDCIKOQPRV-UHFFFAOYSA-N 0 0 335.794 4.731 50 0 EJAARN Cc1cc(O)c(-c2ccnc3cc(-c4ccccc4)nn32)cc1Cl ZINC000013828318 563935147 /nfs/dbraw/zinc/93/51/47/563935147.db2.gz KUORVPOYTLTQJH-UHFFFAOYSA-N 0 0 335.794 4.731 50 0 EJAARN Cc1cc(N[C@H](C)c2nnc(-c3ccccc3)o2)ccc1N1CCCC1 ZINC000057964467 563936052 /nfs/dbraw/zinc/93/60/52/563936052.db2.gz VQUKNCHZRNAISA-MRXNPFEDSA-N 0 0 348.450 4.818 50 0 EJAARN CSc1cc(-c2csc(-c3ccncc3)n2)ccc1NC(C)=O ZINC000058003520 563936413 /nfs/dbraw/zinc/93/64/13/563936413.db2.gz JAGCSNQMGYGIKD-UHFFFAOYSA-N 0 0 341.461 4.552 50 0 EJAARN c1csc(-c2nnc(SCCCc3nc4ccccc4o3)o2)c1 ZINC000058003164 563936416 /nfs/dbraw/zinc/93/64/16/563936416.db2.gz NGUHVNUIZPBTMF-UHFFFAOYSA-N 0 0 343.433 4.664 50 0 EJAARN Cc1ccc2nc(C)c(C(=O)N3CCCc4cc(C)ccc43)cc2c1 ZINC000058081504 563937216 /nfs/dbraw/zinc/93/72/16/563937216.db2.gz AIYUJNGAZLEMJF-UHFFFAOYSA-N 0 0 330.431 4.753 50 0 EJAARN CC(=O)N[C@@H](C)c1ccc(C(=O)c2cc3cc(Cl)ccc3o2)cc1 ZINC000011164170 563937545 /nfs/dbraw/zinc/93/75/45/563937545.db2.gz DTJYTESLLYSTCY-NSHDSACASA-N 0 0 341.794 4.514 50 0 EJAARN C[S@](=O)Cc1ccc(Cl)c(NCc2ccc(Cl)s2)c1 ZINC000096453614 563953786 /nfs/dbraw/zinc/95/37/86/563953786.db2.gz KDYKUYOAUSIHPX-LJQANCHMSA-N 0 0 334.293 4.546 50 0 EJAARN CC(C)C[C@H](C)N(C(=O)CC[C@@H]1CCCO1)c1ccc2[nH]ccc2c1 ZINC000058179203 563939179 /nfs/dbraw/zinc/93/91/79/563939179.db2.gz NSUGBXBZVOGISE-LPHOPBHVSA-N 0 0 342.483 4.895 50 0 EJAARN CCC[C@H](C)NC(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000058202078 563939754 /nfs/dbraw/zinc/93/97/54/563939754.db2.gz YAMUSHNWZGBBAG-CDASLUBFSA-N 0 0 325.496 4.829 50 0 EJAARN COc1ccc(-c2nc(Cc3cn4cccc(C)c4n3)sc2C)cc1 ZINC000058203290 563939759 /nfs/dbraw/zinc/93/97/59/563939759.db2.gz HTQUEFPCPPYFLH-UHFFFAOYSA-N 0 0 349.459 4.674 50 0 EJAARN Cc1[nH]c2c(cccc2C(=O)Nc2cccc(-c3cnco3)c2)c1C ZINC000058356622 563943485 /nfs/dbraw/zinc/94/34/85/563943485.db2.gz OOHTVZRXIWWQSN-UHFFFAOYSA-N 0 0 331.375 4.692 50 0 EJAARN O=C(CN1CCC[C@H]1c1cccc(F)c1)Nc1ccc2ccccc2c1 ZINC000058356871 563943598 /nfs/dbraw/zinc/94/35/98/563943598.db2.gz DUONXWZGYBUXKU-NRFANRHFSA-N 0 0 348.421 4.755 50 0 EJAARN O=C(Nc1ccccn1)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000058378149 563944285 /nfs/dbraw/zinc/94/42/85/563944285.db2.gz SOSRNPZYXQNYNU-HXUWFJFHSA-N 0 0 343.386 4.739 50 0 EJAARN O=C(Nc1nc(-c2ccccc2)cs1)c1cc(-c2ccccc2)on1 ZINC000058390664 563944420 /nfs/dbraw/zinc/94/44/20/563944420.db2.gz URGOZSWPALESQY-UHFFFAOYSA-N 0 0 347.399 4.717 50 0 EJAARN CN(Cc1nc(-c2ccco2)no1)Cc1ccc(-c2ccccc2)cc1 ZINC000058392491 563944641 /nfs/dbraw/zinc/94/46/41/563944641.db2.gz LDEROIIFLFEQPO-UHFFFAOYSA-N 0 0 345.402 4.629 50 0 EJAARN CCn1c2ccccc2c2cc(NC(=O)Nc3ccccn3)ccc21 ZINC000058393689 563944740 /nfs/dbraw/zinc/94/47/40/563944740.db2.gz YGJXCDVSKVDHTA-UHFFFAOYSA-N 0 0 330.391 4.853 50 0 EJAARN Cc1cc2nc(N[C@@H](C)c3ccc(F)c(F)c3)c3ccccc3n2n1 ZINC000058401834 563944867 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563947762 /nfs/dbraw/zinc/94/77/62/563947762.db2.gz DMMVHLXCUOFVFH-UHFFFAOYSA-N 0 0 338.232 4.759 50 0 EJAARN O=C(Cc1cccc2ccccc21)N[C@@H](c1ccccc1)C(F)(F)F ZINC000059301566 563947986 /nfs/dbraw/zinc/94/79/86/563947986.db2.gz GSMSRUUCALKCGV-IBGZPJMESA-N 0 0 343.348 4.802 50 0 EJAARN C[C@@H](Oc1ccccc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000059369371 563948837 /nfs/dbraw/zinc/94/88/37/563948837.db2.gz ISAMHSJARVPQOT-LJQANCHMSA-N 0 0 345.442 4.683 50 0 EJAARN COc1ccc([C@H](NCc2cc(C)on2)c2ccccc2Cl)cc1 ZINC000096417400 563951268 /nfs/dbraw/zinc/95/12/68/563951268.db2.gz YVYZWVVSRXFALF-IBGZPJMESA-N 0 0 342.826 4.524 50 0 EJAARN CCOC(=O)Cc1c2cc(Cl)ccc2[nH]c1-c1ccc(F)cc1 ZINC000061997424 563951629 /nfs/dbraw/zinc/95/16/29/563951629.db2.gz MLFLVRBLIBMDSR-UHFFFAOYSA-N 0 0 331.774 4.733 50 0 EJAARN CC[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2)c2ccccc2S1 ZINC000033059294 563951710 /nfs/dbraw/zinc/95/17/10/563951710.db2.gz XMSRXEDRLBVZFH-HNNXBMFYSA-N 0 0 346.883 4.669 50 0 EJAARN O=C(CCCc1ccccn1)Nc1ccccc1CCC(F)(F)F 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Cc1ccc(NC(=O)N2CCC[C@H]2c2cc(C(C)C)no2)cc1F ZINC000064985164 563957885 /nfs/dbraw/zinc/95/78/85/563957885.db2.gz YWBDRNIGCMQULP-INIZCTEOSA-N 0 0 331.391 4.615 50 0 EJAARN CC(C)c1nccc(-c2c(-c3ccccc3)ncn2Cc2ccco2)n1 ZINC000065380876 563958897 /nfs/dbraw/zinc/95/88/97/563958897.db2.gz HKUMPUWRZBYBHK-UHFFFAOYSA-N 0 0 344.418 4.772 50 0 EJAARN Cc1cc(C[C@H](C)n2cnc(-c3ccccc3)c2-c2ccco2)n[nH]1 ZINC000065494795 563961598 /nfs/dbraw/zinc/96/15/98/563961598.db2.gz JFPJHFWQNSQXIR-HNNXBMFYSA-N 0 0 332.407 4.645 50 0 EJAARN CC(C)(C)OC(=O)N1CCC[C@@H](c2ccc(Br)cc2)C1 ZINC000065731434 563962127 /nfs/dbraw/zinc/96/21/27/563962127.db2.gz WRSHWNCUNYWQBB-CYBMUJFWSA-N 0 0 340.261 4.564 50 0 EJAARN CC(C)[C@@H](NC(=O)COc1ccc2ccccc2c1)c1ccccc1 ZINC000067192417 563962260 /nfs/dbraw/zinc/96/22/60/563962260.db2.gz DJXKMJFEBLAKSI-JOCHJYFZSA-N 0 0 333.431 4.732 50 0 EJAARN C(=C/c1ccccn1)\c1ccc(-n2ccnc2[C@@H]2CCCCO2)cc1 ZINC000067677952 563962520 /nfs/dbraw/zinc/96/25/20/563962520.db2.gz DZEHWMGTGFCXKP-OSICKASQSA-N 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/nfs/dbraw/zinc/96/48/83/563964883.db2.gz ONSOZXJSCANTFA-UHFFFAOYSA-N 0 0 332.382 4.685 50 0 EJAARN Clc1ccc([C@H]2CN(c3nccc4occc43)CCO2)cc1Cl ZINC000071747009 563964986 /nfs/dbraw/zinc/96/49/86/563964986.db2.gz JGRQRGTZWDHPBF-MRXNPFEDSA-N 0 0 349.217 4.713 50 0 EJAARN O=C(c1c(F)cccc1F)N1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000071748319 563965043 /nfs/dbraw/zinc/96/50/43/563965043.db2.gz JMYRIVDFKAPUCF-OAHLLOKOSA-N 0 0 347.380 4.589 50 0 EJAARN CCCc1cc2c(cc1OC)[C@@]1(C)CCC[C@](C)(C(=O)OC)[C@@H]1CC2 ZINC000071770678 563965657 /nfs/dbraw/zinc/96/56/57/563965657.db2.gz YWUKWMSDEZJCQR-FCEUIQTBSA-N 0 0 344.495 4.831 50 0 EJAARN Cc1ccc(NC(=O)c2ccc(-c3noc(C4CCCC4)n3)cc2)cc1 ZINC000033254384 563966058 /nfs/dbraw/zinc/96/60/58/563966058.db2.gz SJQBDQZEOZRTDZ-UHFFFAOYSA-N 0 0 347.418 4.955 50 0 EJAARN Cc1ccc(NC(=O)c2cccc(-c3noc(C4CCC4)n3)c2)cc1 ZINC000033257720 563966222 /nfs/dbraw/zinc/96/62/22/563966222.db2.gz OXOGQVXPDSKEEJ-UHFFFAOYSA-N 0 0 333.391 4.565 50 0 EJAARN c1ccc2[nH]c(Nc3cccc(-c4nc5ccccc5[nH]4)c3)nc2c1 ZINC000073636069 563966515 /nfs/dbraw/zinc/96/65/15/563966515.db2.gz BBYHKRLXMWUPHE-UHFFFAOYSA-N 0 0 325.375 4.850 50 0 EJAARN CC(C)c1cc([C@H]2CCCN2Cc2c[nH]nc2-c2cccs2)on1 ZINC000075448605 563967317 /nfs/dbraw/zinc/96/73/17/563967317.db2.gz PTTPIXHEZRTZSC-OAHLLOKOSA-N 0 0 342.468 4.587 50 0 EJAARN CCOc1cc2c(cc1OCC)[C@@H](c1cc(C)c(C)cc1C)[NH2+]CC2 ZINC000000034569 563967836 /nfs/dbraw/zinc/96/78/36/563967836.db2.gz XMHWWXLACWWANG-JOCHJYFZSA-N 0 0 339.479 4.644 50 0 EJAARN COc1cccc([C@H]2CCCCN2C(=O)c2ccnc3ccccc32)c1 ZINC000077425810 563969629 /nfs/dbraw/zinc/96/96/29/563969629.db2.gz UGKWCFWNBZPQBH-OAQYLSRUSA-N 0 0 346.430 4.611 50 0 EJAARN O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000077521558 563970200 /nfs/dbraw/zinc/97/02/00/563970200.db2.gz SKKQJZGMBYOTHC-HXUWFJFHSA-N 0 0 349.409 4.583 50 0 EJAARN O=C(Nc1ccc(C2CCCCC2)cc1)C(=S)NC1CCCCC1 ZINC000000045056 563970392 /nfs/dbraw/zinc/97/03/92/563970392.db2.gz 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/nfs/dbraw/zinc/97/48/67/563974867.db2.gz CONAQJDRZKBNQK-UHFFFAOYSA-N 0 0 329.447 4.724 50 0 EJAARN CCCOc1cc(O)c(-c2n[nH]cc2-c2nc(C)cs2)cc1CC ZINC000004807542 563974898 /nfs/dbraw/zinc/97/48/98/563974898.db2.gz OKUCEMHOKVNGID-UHFFFAOYSA-N 0 0 343.452 4.565 50 0 EJAARN Cc1cc(Cl)ccc1NC(=S)NCCc1c[nH]c2ccccc12 ZINC000000084666 563975024 /nfs/dbraw/zinc/97/50/24/563975024.db2.gz NCOQXRXMRLIQEY-UHFFFAOYSA-N 0 0 343.883 4.659 50 0 EJAARN Cc1c(C(=O)N2CCCC[C@H]2c2ccccn2)[nH]c2c1c(C)ccc2C ZINC000091319996 563975267 /nfs/dbraw/zinc/97/52/67/563975267.db2.gz GVBYEZLMLOZSBY-SFHVURJKSA-N 0 0 347.462 4.856 50 0 EJAARN Cc1cccc(C(=O)NCc2ccccc2COc2ccccc2)c1 ZINC000011454180 563976268 /nfs/dbraw/zinc/97/62/68/563976268.db2.gz GKZPSIRQXFTCGE-UHFFFAOYSA-N 0 0 331.415 4.504 50 0 EJAARN C[C@@H](Cc1ccsc1)NC(=O)N(Cc1ccccc1Cl)C1CC1 ZINC000426411260 563976386 /nfs/dbraw/zinc/97/63/86/563976386.db2.gz HBTCQMMVKQBPBG-ZDUSSCGKSA-N 0 0 348.899 4.707 50 0 EJAARN c1cn(CC2CCC2)c([C@@H]2CCCN(c3ccc4ccccc4n3)C2)n1 ZINC000095379258 563976860 /nfs/dbraw/zinc/97/68/60/563976860.db2.gz QJBBEGKBWRXUHO-LJQANCHMSA-N 0 0 346.478 4.615 50 0 EJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cc(F)cc(F)c1 ZINC000095591066 563977572 /nfs/dbraw/zinc/97/75/72/563977572.db2.gz KAWOWIQMFXXSSD-UHFFFAOYSA-N 0 0 332.228 4.507 50 0 EJAARN C[C@@H](Nc1nccc(-c2cccnc2)n1)c1ccccc1C(F)(F)F ZINC000096139337 563979508 /nfs/dbraw/zinc/97/95/08/563979508.db2.gz BKRMRGWUTPJDJI-GFCCVEGCSA-N 0 0 344.340 4.731 50 0 EJAARN Cc1cc(F)cc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000096170939 563980003 /nfs/dbraw/zinc/98/00/03/563980003.db2.gz UPDOFIHEOOGYKY-UHFFFAOYSA-N 0 0 328.265 4.677 50 0 EJAARN CCCCOc1ccc(-n2c(C)c(C)c(C(=O)OCC)c2C)cc1 ZINC000004817167 563981258 /nfs/dbraw/zinc/98/12/58/563981258.db2.gz PFUQAGDMOGYCHO-UHFFFAOYSA-N 0 0 329.440 4.758 50 0 EJAARN Cc1cc(C)c2c(N)c(C(=O)Nc3cccc4ccccc43)sc2n1 ZINC000000098154 563981437 /nfs/dbraw/zinc/98/14/37/563981437.db2.gz OVFYYXVKHWAPEV-UHFFFAOYSA-N 0 0 347.443 4.901 50 0 EJAARN Cc1oc(-c2ccsc2)nc1CC(=O)Nc1cccc(C(F)F)c1 ZINC000071862879 563983313 /nfs/dbraw/zinc/98/33/13/563983313.db2.gz BULKEJATBSUBBK-UHFFFAOYSA-N 0 0 348.374 4.830 50 0 EJAARN O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1cccs1 ZINC000000134211 563986933 /nfs/dbraw/zinc/98/69/33/563986933.db2.gz HJOUQRJTDKJRMI-UHFFFAOYSA-N 0 0 334.853 4.701 50 0 EJAARN CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)C(C)C ZINC000000151123 563987264 /nfs/dbraw/zinc/98/72/64/563987264.db2.gz KGUDAVGVRZFFRI-UHFFFAOYSA-N 0 0 345.464 4.749 50 0 EJAARN Cc1c(NC(=O)Cc2ccccc2)cccc1-c1nc2ccccc2[nH]1 ZINC000000174163 563987607 /nfs/dbraw/zinc/98/76/07/563987607.db2.gz XINUYYAYZXEBBB-UHFFFAOYSA-N 0 0 341.414 4.720 50 0 EJAARN CC(C)c1ccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc1 ZINC000000176814 563987691 /nfs/dbraw/zinc/98/76/91/563987691.db2.gz JBDPXFVCAUMEFE-YVLHZVERSA-N 0 0 325.795 4.808 50 0 EJAARN Cc1cccc(C2=N/C(=C\c3cccc(Cl)c3Cl)C(=O)O2)c1 ZINC000000177223 563987703 /nfs/dbraw/zinc/98/77/03/563987703.db2.gz QIMPOVZBFWCSQM-ZROIWOOFSA-N 0 0 332.186 4.646 50 0 EJAARN Cc1ccc(C2=N/C(=C\c3ccccc3C(F)(F)F)C(=O)O2)cc1C ZINC000000178069 563987714 /nfs/dbraw/zinc/98/77/14/563987714.db2.gz RQTRODUXQPVMLU-YBEGLDIGSA-N 0 0 345.320 4.667 50 0 EJAARN O=C1Nc2ccccc2N(O)N1c1cc(C(F)(F)F)ccc1Cl ZINC000000184529 563987939 /nfs/dbraw/zinc/98/79/39/563987939.db2.gz BFEDESJLJDXVKW-UHFFFAOYSA-N 0 0 343.692 4.522 50 0 EJAARN CCOc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccccc1)c2=O ZINC000000189952 563987957 /nfs/dbraw/zinc/98/79/57/563987957.db2.gz WXDCNWUUMGARRR-UHFFFAOYSA-N 0 0 334.293 4.878 50 0 biogenic EJAARN CC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000000192158 563988180 /nfs/dbraw/zinc/98/81/80/563988180.db2.gz BNMCYWHSAJSXHU-UHFFFAOYSA-N 0 0 336.416 4.573 50 0 EJAARN O=c1oc2ccccc2cc1-c1csc(Nc2cccc(F)c2)n1 ZINC000000191855 563988183 /nfs/dbraw/zinc/98/81/83/563988183.db2.gz ICWJMJHUFSWKJE-UHFFFAOYSA-N 0 0 338.363 4.799 50 0 EJAARN Cc1cc(C)c(OC(=O)NC(C)(C(F)(F)F)C(F)(F)F)c(C)c1 ZINC000000198273 563988265 /nfs/dbraw/zinc/98/82/65/563988265.db2.gz 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/nfs/dbraw/zinc/98/85/81/563988581.db2.gz BZJWNIAIJCGEFH-AQTBWJFISA-N 0 0 342.508 4.543 50 0 EJAARN Cn1cc(CCCC(=O)NC2CCCCCCC2)c2ccccc21 ZINC000000218762 563988760 /nfs/dbraw/zinc/98/87/60/563988760.db2.gz LRUKDQWHRIASBP-UHFFFAOYSA-N 0 0 326.484 4.730 50 0 EJAARN Cc1c(Cl)cccc1NC(=S)N1CCCC[C@@H]1c1cccnc1 ZINC000000240203 563989140 /nfs/dbraw/zinc/98/91/40/563989140.db2.gz UNHMGCNGGUWGLF-QGZVFWFLSA-N 0 0 345.899 4.967 50 0 EJAARN CCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 ZINC000000252073 563989505 /nfs/dbraw/zinc/98/95/05/563989505.db2.gz DIHVZDDQAIRLDC-KRWDZBQOSA-N 0 0 347.462 4.584 50 0 EJAARN CSc1cccc(NC(=S)N2CC[C@H](c3ccccc3)C2)c1 ZINC000000263640 563989809 /nfs/dbraw/zinc/98/98/09/563989809.db2.gz ADBVHZZHQWFIHF-HNNXBMFYSA-N 0 0 328.506 4.595 50 0 EJAARN Cc1c(Cl)cccc1NC(=S)N1CC[C@H](c2ccccc2)C1 ZINC000000263675 563989812 /nfs/dbraw/zinc/98/98/12/563989812.db2.gz RUDUQZNKQDTCEX-HNNXBMFYSA-N 0 0 330.884 4.835 50 0 EJAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000318508 563991053 /nfs/dbraw/zinc/99/10/53/563991053.db2.gz RPHFOMPBPMGQLS-UHFFFAOYSA-N 0 0 346.308 4.921 50 0 EJAARN COc1ccccc1-c1nc2cccc(C)n2c1NCc1ccccc1 ZINC000000319608 563991125 /nfs/dbraw/zinc/99/11/25/563991125.db2.gz WJOKODNWOBGBGU-UHFFFAOYSA-N 0 0 343.430 4.930 50 0 EJAARN COc1cccc(-c2nc3ccc(C)cn3c2NCc2ccccc2)c1 ZINC000000319814 563991166 /nfs/dbraw/zinc/99/11/66/563991166.db2.gz IOENROLOXLNJNA-UHFFFAOYSA-N 0 0 343.430 4.930 50 0 EJAARN Cc1ccccc1NC(=O)Cc1nc(-c2c[nH]c3ccccc32)cs1 ZINC000024033906 563991457 /nfs/dbraw/zinc/99/14/57/563991457.db2.gz WUQIXVRUEFEYOK-UHFFFAOYSA-N 0 0 347.443 4.781 50 0 EJAARN Cc1ccccc1NC(=O)COc1ccc2oc3c(c2c1)CCCC3 ZINC000000348646 563991512 /nfs/dbraw/zinc/99/15/12/563991512.db2.gz FRVXVIRYWSFYDA-UHFFFAOYSA-N 0 0 335.403 4.638 50 0 EJAARN CCCc1ccc(-c2csc(NC(=O)c3ccc(C)o3)n2)cc1 ZINC000000371588 563991774 /nfs/dbraw/zinc/99/17/74/563991774.db2.gz HKEXEDIIBNKERH-UHFFFAOYSA-N 0 0 326.421 4.916 50 0 EJAARN CC[C@@H](C)c1ccc([C@H](C)NC(=O)c2cccc(OC)c2OC)cc1 ZINC000000372362 563991837 /nfs/dbraw/zinc/99/18/37/563991837.db2.gz YSUCHCHXVZIELC-CABCVRRESA-N 0 0 341.451 4.708 50 0 EJAARN COc1ccc2c(c1)SC[C@]1(C)C2=CC[C@]2(C)C(=O)CC[C@@]21C ZINC000000384053 563991982 /nfs/dbraw/zinc/99/19/82/563991982.db2.gz QQHXASQOUYMTQW-AQNXPRMDSA-N 0 0 328.477 4.970 50 0 EJAARN O=C(NCc1ccoc1)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000061041977 563992438 /nfs/dbraw/zinc/99/24/38/563992438.db2.gz TZLKEYHGFCYLBC-UHFFFAOYSA-N 0 0 349.415 4.878 50 0 EJAARN O=C1c2ccccc2[C@H](Nc2ccccc2Cl)N1c1cccnc1 ZINC000004918035 563992478 /nfs/dbraw/zinc/99/24/78/563992478.db2.gz YXUVCHCOMQZJKF-GOSISDBHSA-N 0 0 335.794 4.506 50 0 EJAARN COc1cccc(C2=NN3[C@H](C2)c2ccccc2OC32CCCC2)c1 ZINC000005016986 563993814 /nfs/dbraw/zinc/99/38/14/563993814.db2.gz LUTUIERBGPSTFI-LJQANCHMSA-N 0 0 334.419 4.509 50 0 EJAARN Cc1nc(S[C@@H](C)C(=O)Nc2ccc(C)cc2)n(CC(C)C)c1C ZINC000005152020 563994759 /nfs/dbraw/zinc/99/47/59/563994759.db2.gz PCOBXVYIXPJHDK-INIZCTEOSA-N 0 0 345.512 4.584 50 0 EJAARN O=C(Nc1cccc(Cl)c1F)c1cc(-c2ccc(F)cc2)on1 ZINC000125799424 563995632 /nfs/dbraw/zinc/99/56/32/563995632.db2.gz KQYMBYVOKHFVCS-UHFFFAOYSA-N 0 0 334.709 4.526 50 0 EJAARN CC(=O)c1ccc(NC(=S)N2CCCSc3ccccc32)cc1 ZINC000044511812 563995643 /nfs/dbraw/zinc/99/56/43/563995643.db2.gz NBOWHWVDCMGEBF-UHFFFAOYSA-N 0 0 342.489 4.588 50 0 EJAARN Clc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1 ZINC000000407819 563997651 /nfs/dbraw/zinc/99/76/51/563997651.db2.gz WNVAJAMIIYZLMR-CVEARBPZSA-N 0 0 345.233 4.731 50 0 EJAARN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NC3CCCC3)cc12 ZINC000000205066 563997965 /nfs/dbraw/zinc/99/79/65/563997965.db2.gz WECGKMIPNRPKBS-UHFFFAOYSA-N 0 0 346.474 4.979 50 0 EJAARN O=C1CS[C@@H](c2ccc(F)c(F)c2)N1c1ccc2ccccc2c1 ZINC000000423875 563998361 /nfs/dbraw/zinc/99/83/61/563998361.db2.gz BIQKSUUHEWWCFC-IBGZPJMESA-N 0 0 341.382 4.897 50 0 EJAARN COc1ccc(N(C)C(=O)c2cc3cc4ccc(C)cc4nc3o2)cc1 ZINC000000429011 563998905 /nfs/dbraw/zinc/99/89/05/563998905.db2.gz PBGWLHQZUDRSEE-UHFFFAOYSA-N 0 0 346.386 4.575 50 0 EJAARN Cc1cccc(-n2ncc3c2ncnc3Nc2c(C)cc(C)cc2C)c1 ZINC000000426401 563999032 /nfs/dbraw/zinc/99/90/32/563999032.db2.gz XYFAZOFTXFJWQP-UHFFFAOYSA-N 0 0 343.434 4.793 50 0 EJAARN O=C1OC(/C=C/c2ccc(Cl)cc2Cl)=N/C1=C\c1ccco1 ZINC000000431150 563999438 /nfs/dbraw/zinc/99/94/38/563999438.db2.gz FETHKXINWGVBBY-YFZWXOIXSA-N 0 0 334.158 4.596 50 0 EJAARN CC(=O)c1c(C)n(-c2ccccc2)c(=S)nc1NCc1ccccc1 ZINC000000441856 563999593 /nfs/dbraw/zinc/99/95/93/563999593.db2.gz XBONJICURVDWBH-UHFFFAOYSA-N 0 0 349.459 4.725 50 0 EJAARN Cc1ccc(-c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)o2)cc1 ZINC000000444743 563999632 /nfs/dbraw/zinc/99/96/32/563999632.db2.gz CMMBMATXTZGUGB-AQTBWJFISA-N 0 0 329.355 4.600 50 0 EJAARN O=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1ccccc1Cl ZINC000000443279 563999633 /nfs/dbraw/zinc/99/96/33/563999633.db2.gz CIEORAGFBOJRMX-UHFFFAOYSA-N 0 0 347.805 4.907 50 0 EJAARN CCCCOC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000005172031 563999901 /nfs/dbraw/zinc/99/99/01/563999901.db2.gz DZBNMBPJMBWKMI-UHFFFAOYSA-N 0 0 331.799 4.549 50 0 EJAARN CCCCOc1ccc(C2=N/C(=C\c3sccc3C)C(=O)O2)cc1 ZINC000005174381 563999949 /nfs/dbraw/zinc/99/99/49/563999949.db2.gz HZBJQTANOKZMQJ-VBKFSLOCSA-N 0 0 341.432 4.580 50 0 EJAARN CCCCC1=N[C@@H]2Sc3c(ncnc3OCC)[C@@H]2C2=C1CCC2 ZINC000006309917 563999969 /nfs/dbraw/zinc/99/99/69/563999969.db2.gz MAQIBBSNIMFISD-KBXCAEBGSA-N 0 0 329.469 4.516 50 0 EJAARN O=C(CN1CCCC1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000000271544 564000144 /nfs/dbraw/zinc/00/01/44/564000144.db2.gz CYLVKGNEUGZSPN-UHFFFAOYSA-N 0 0 344.867 4.565 50 0 EJAARN COc1cccc(NC(=O)c2cc3cc4ccc(C)cc4nc3o2)c1 ZINC000000428970 564000197 /nfs/dbraw/zinc/00/01/97/564000197.db2.gz CBOSNMJRDRKDIB-UHFFFAOYSA-N 0 0 332.359 4.550 50 0 EJAARN Cc1nc2ccccc2c(C)c1CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000005199133 564000363 /nfs/dbraw/zinc/00/03/63/564000363.db2.gz XIUPAUGWWJACIB-JOCHJYFZSA-N 0 0 344.458 4.588 50 0 EJAARN CNc1nc2c(s1)[C@H](c1ccc(Cl)cc1Cl)CC(=O)N2 ZINC000061717927 564000400 /nfs/dbraw/zinc/00/04/00/564000400.db2.gz MUYBSJDLILZWJZ-QMMMGPOBSA-N 0 0 328.224 4.615 50 0 EJAARN Cc1nc2ccccc2n1CCC(=O)Nc1cccc2ccccc21 ZINC000005208586 564000617 /nfs/dbraw/zinc/00/06/17/564000617.db2.gz ZWKICZLEFZIGTB-UHFFFAOYSA-N 0 0 329.403 4.527 50 0 EJAARN O=C(Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1cccs1 ZINC000005241458 564001507 /nfs/dbraw/zinc/00/15/07/564001507.db2.gz HXHORPJXADGFGF-UHFFFAOYSA-N 0 0 347.395 4.774 50 0 EJAARN Oc1ccccc1C1=N[C@H](c2ccccc2)N[C@@H](c2ccccc2)C1 ZINC000061868520 564001661 /nfs/dbraw/zinc/00/16/61/564001661.db2.gz UJROPHQMKHBBEJ-DENIHFKCSA-N 0 0 328.415 4.615 50 0 EJAARN CCn1cc(NC(=O)NCc2ccc3[nH]c(C)cc3c2)c2ccccc21 ZINC000005266107 564001726 /nfs/dbraw/zinc/00/17/26/564001726.db2.gz XSDCKWPIWSVMJD-UHFFFAOYSA-N 0 0 346.434 4.773 50 0 EJAARN COCCn1cc(NC(=O)Nc2cc(C)cc(C)c2)c2ccccc21 ZINC000005266533 564001799 /nfs/dbraw/zinc/00/17/99/564001799.db2.gz OAHOBIWIPHUEAP-UHFFFAOYSA-N 0 0 337.423 4.549 50 0 EJAARN Cc1ccc(CC(=O)Nc2nc3c(s2)Cc2ccccc2-3)c(C)c1 ZINC000005268068 564001866 /nfs/dbraw/zinc/00/18/66/564001866.db2.gz CRDCXCCWLUOBTD-UHFFFAOYSA-N 0 0 334.444 4.512 50 0 EJAARN Cc1oc2c(c1C)c1c(c3oc(=O)c4c(c23)CCC4)CCC(C)(C)O1 ZINC000002121201 564002085 /nfs/dbraw/zinc/00/20/85/564002085.db2.gz XLJOPKOTVNARCL-UHFFFAOYSA-N 0 0 338.403 4.748 50 0 biogenic EJAARN CCOC(=O)c1c(N)scc1-c1ccc(-c2ccccc2O)cc1 ZINC000061997396 564002658 /nfs/dbraw/zinc/00/26/58/564002658.db2.gz WXBZHIXGMRTJBJ-UHFFFAOYSA-N 0 0 339.416 4.547 50 0 EJAARN Cc1ccccc1NC(=O)N(CCc1ccccc1)Cc1ccccn1 ZINC000062017979 564002746 /nfs/dbraw/zinc/00/27/46/564002746.db2.gz MWLTYIZAOMPHKF-UHFFFAOYSA-N 0 0 345.446 4.667 50 0 EJAARN O=C(Nc1c(Cl)cccc1Cl)c1ncc(-c2ccccc2)o1 ZINC000206586793 564003060 /nfs/dbraw/zinc/00/30/60/564003060.db2.gz YALMFBMBEHGTAW-UHFFFAOYSA-N 0 0 333.174 4.901 50 0 EJAARN Cc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)s1 ZINC000001175583 564003070 /nfs/dbraw/zinc/00/30/70/564003070.db2.gz 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Cc1ccc(NC(=O)N[C@H]2c3ccccc3-c3cc(C)ncc32)cc1 ZINC000000521508 564021026 /nfs/dbraw/zinc/02/10/26/564021026.db2.gz MASDLBUOWOLRKP-FQEVSTJZSA-N 0 0 329.403 4.590 50 0 EJAARN O=c1c2c(ncn1-c1ccccc1)-c1ccccc1CC21CCCCC1 ZINC000000521637 564021063 /nfs/dbraw/zinc/02/10/63/564021063.db2.gz IRSREDIETHXAKC-UHFFFAOYSA-N 0 0 342.442 4.658 50 0 EJAARN Cc1ccc(Cn2ncc3c2ncnc3Nc2ccc(Cl)cc2)cc1 ZINC000000521699 564021064 /nfs/dbraw/zinc/02/10/64/564021064.db2.gz VQCRNWINJYGBJO-UHFFFAOYSA-N 0 0 349.825 4.580 50 0 EJAARN CCSc1nc2ccc(NC(=O)c3ccc(F)cc3)cc2s1 ZINC000000523692 564021165 /nfs/dbraw/zinc/02/11/65/564021165.db2.gz RBNCXZBOIHFLAH-UHFFFAOYSA-N 0 0 332.425 4.800 50 0 EJAARN Clc1cccc(-c2nn3c(nnc3-c3ccccc3Cl)s2)c1 ZINC000000523622 564021171 /nfs/dbraw/zinc/02/11/71/564021171.db2.gz HMCHXVGEKZJUQI-UHFFFAOYSA-N 0 0 347.230 4.827 50 0 EJAARN CC(=O)Nc1ccccc1OC(=O)c1sc2ccccc2c1Cl ZINC000000523502 564021180 /nfs/dbraw/zinc/02/11/80/564021180.db2.gz DBQVYOHNXFBIIH-UHFFFAOYSA-N 0 0 345.807 4.732 50 0 EJAARN Cn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccco1 ZINC000000524247 564021198 /nfs/dbraw/zinc/02/11/98/564021198.db2.gz QMCICFFDXXDAGV-UHFFFAOYSA-N 0 0 340.235 4.674 50 0 EJAARN CC1(C)Cc2c(ccc3ccccc32)-c2nnc(-c3cccc(N)c3)n21 ZINC000000524273 564021200 /nfs/dbraw/zinc/02/12/00/564021200.db2.gz NMERGTYQVMBOAZ-UHFFFAOYSA-N 0 0 340.430 4.639 50 0 EJAARN CCN1c2ccccc2-c2nc3ccccc3n2[C@@H]1c1ccc(C)o1 ZINC000000541189 564022467 /nfs/dbraw/zinc/02/24/67/564022467.db2.gz UBOQBAVCWNNPSY-OAQYLSRUSA-N 0 0 329.403 4.992 50 0 EJAARN CCCC(=O)Nc1sc(C)c(C)c1C(=O)Nc1cccc(C)c1 ZINC000000546330 564022725 /nfs/dbraw/zinc/02/27/25/564022725.db2.gz LYIQEFTYYFEBDF-UHFFFAOYSA-N 0 0 330.453 4.664 50 0 EJAARN Cc1ccc(C2=NN(C(=O)c3ccccc3F)[C@H](c3ccco3)C2)cc1 ZINC000000548024 564022791 /nfs/dbraw/zinc/02/27/91/564022791.db2.gz VDWLMUUXYMTKKW-IBGZPJMESA-N 0 0 348.377 4.719 50 0 EJAARN Cc1ccc(C2=NN(C(=O)c3ccccc3F)[C@@H](c3ccco3)C2)cc1 ZINC000000548023 564022818 /nfs/dbraw/zinc/02/28/18/564022818.db2.gz VDWLMUUXYMTKKW-LJQANCHMSA-N 0 0 348.377 4.719 50 0 EJAARN CCOc1ncnc2c3c4c(c(-c5ccccc5)nc3sc21)CCC4 ZINC000000550563 564022884 /nfs/dbraw/zinc/02/28/84/564022884.db2.gz LKNJXEKEIVLNFN-UHFFFAOYSA-N 0 0 347.443 4.794 50 0 EJAARN CCOC(=O)c1c(CSc2ccccc2)oc2ccc(OC)cc21 ZINC000000552884 564023049 /nfs/dbraw/zinc/02/30/49/564023049.db2.gz NHUJNHARTGIJJM-UHFFFAOYSA-N 0 0 342.416 4.910 50 0 EJAARN O=C(Nc1ccccc1OC(F)F)c1ccc(Cl)cc1Cl ZINC000000557801 564023174 /nfs/dbraw/zinc/02/31/74/564023174.db2.gz GAFGHKQVSOJMTM-UHFFFAOYSA-N 0 0 332.133 4.847 50 0 EJAARN c1ccc2c(c1)nc(-c1cccnc1)nc2N1CC[C@H]2CCCC[C@H]2C1 ZINC000103998229 564023600 /nfs/dbraw/zinc/02/36/00/564023600.db2.gz OMPIEIUHJRIKOH-AEFFLSMTSA-N 0 0 344.462 4.708 50 0 EJAARN COc1ccc2cc(CN(C)Cc3ccccc3)c(Cl)nc2c1 ZINC000014672798 564023687 /nfs/dbraw/zinc/02/36/87/564023687.db2.gz OHTHBBOOFBYHMA-UHFFFAOYSA-N 0 0 326.827 4.529 50 0 EJAARN COc1ccc(Cc2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000000572395 564023882 /nfs/dbraw/zinc/02/38/82/564023882.db2.gz NVDLLGDFPZSYTD-UHFFFAOYSA-N 0 0 328.415 4.684 50 0 EJAARN O=C(Nc1ccccc1)c1ccccc1OC[C@@H]1CC1(Cl)Cl ZINC000014858067 564025242 /nfs/dbraw/zinc/02/52/42/564025242.db2.gz KXMOXPCQIQDYLG-LBPRGKRZSA-N 0 0 336.218 4.512 50 0 EJAARN Cc1ccc(/C=C\c2nn(-c3ccccc3)c3c2ccccc3=O)cc1 ZINC000210106679 564025296 /nfs/dbraw/zinc/02/52/96/564025296.db2.gz FWZAKMGURGRCCP-NXVVXOECSA-N 0 0 338.410 4.865 50 0 EJAARN COC(=O)c1c(Nc2cccc(C)c2)onc1-c1ccc(Cl)cc1 ZINC000046914246 564025565 /nfs/dbraw/zinc/02/55/65/564025565.db2.gz ZZUNTTXCDTVHPQ-UHFFFAOYSA-N 0 0 342.782 4.834 50 0 EJAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(N(C)C)cc1C ZINC000047182682 564025878 /nfs/dbraw/zinc/02/58/78/564025878.db2.gz TTZCBFAQQOOXQP-UHFFFAOYSA-N 0 0 326.371 4.507 50 0 EJAARN COc1ccccc1CN(C(=O)Nc1ccccc1Cl)C1CC1 ZINC000047323181 564026156 /nfs/dbraw/zinc/02/61/56/564026156.db2.gz KFLOLKSQPWAHGM-UHFFFAOYSA-N 0 0 330.815 4.545 50 0 EJAARN CSc1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)cc1 ZINC000012039730 564026325 /nfs/dbraw/zinc/02/63/25/564026325.db2.gz KOVCIYIAWZWRFY-UHFFFAOYSA-N 0 0 341.461 4.509 50 0 EJAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3Cl)n[nH]2)cc1 ZINC000044837801 564027279 /nfs/dbraw/zinc/02/72/79/564027279.db2.gz LRLPUVLOOXJSDW-UHFFFAOYSA-N 0 0 325.799 4.599 50 0 EJAARN Cc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3C)n[nH]2)cc1 ZINC000044837792 564027298 /nfs/dbraw/zinc/02/72/98/564027298.db2.gz XBKKVXOCEUGGDV-UHFFFAOYSA-N 0 0 325.799 4.599 50 0 EJAARN Cc1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)n[nH]2)cc1 ZINC000044837768 564027302 /nfs/dbraw/zinc/02/73/02/564027302.db2.gz RJZUWIUWCPKXHG-UHFFFAOYSA-N 0 0 345.324 4.656 50 0 EJAARN O=C(NCc1ccc(C(F)(F)F)cc1)Nc1ccccc1Cl ZINC000044845554 564027508 /nfs/dbraw/zinc/02/75/08/564027508.db2.gz SICDKLUXQVSCBU-UHFFFAOYSA-N 0 0 328.721 4.681 50 0 EJAARN C[C@@H](NC(=O)c1ccc(SCc2cscn2)cc1)c1ccco1 ZINC000044896771 564027573 /nfs/dbraw/zinc/02/75/73/564027573.db2.gz CXQNKGSBIRGKFS-GFCCVEGCSA-N 0 0 344.461 4.519 50 0 EJAARN Cc1ccc(Nc2nc3ccccc3nc2C(=O)OC(C)C)cc1C ZINC000045901419 564028796 /nfs/dbraw/zinc/02/87/96/564028796.db2.gz WFWJAEXFMZOQGQ-UHFFFAOYSA-N 0 0 335.407 4.555 50 0 EJAARN Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)o2)c(C)c1 ZINC000045943088 564028958 /nfs/dbraw/zinc/02/89/58/564028958.db2.gz WISVEYXXDRWXND-UHFFFAOYSA-N 0 0 338.432 4.689 50 0 EJAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2)cc1 ZINC000045942780 564028982 /nfs/dbraw/zinc/02/89/82/564028982.db2.gz AQFGTWTWCKFRCL-HXUWFJFHSA-N 0 0 345.398 4.641 50 0 EJAARN O=C(Nc1cccc2c1CCCC2)N1CCC[C@@H]1c1ccsc1 ZINC000045959437 564028994 /nfs/dbraw/zinc/02/89/94/564028994.db2.gz OBPYQMWFROJCIG-GOSISDBHSA-N 0 0 326.465 4.996 50 0 EJAARN COc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccc(C(C)C)cc1 ZINC000045967311 564029066 /nfs/dbraw/zinc/02/90/66/564029066.db2.gz QAJUMRZIMBNGFG-UHFFFAOYSA-N 0 0 349.434 4.631 50 0 EJAARN Fc1cccc(-c2nc(CN3CCC[C@H]3c3ccsc3)co2)c1 ZINC000046088973 564029545 /nfs/dbraw/zinc/02/95/45/564029545.db2.gz IMNLAHMKGPIBCB-KRWDZBQOSA-N 0 0 328.412 4.879 50 0 EJAARN C[C@@H](c1nnc(-c2cccs2)o1)N1CCC[C@@H]1c1ccsc1 ZINC000048234205 564030101 /nfs/dbraw/zinc/03/01/01/564030101.db2.gz OLBBZAMRFQROGV-WCQYABFASA-N 0 0 331.466 4.758 50 0 EJAARN Cc1cc([C@@H]2CCCN2Cc2csc(-c3ccsc3)n2)on1 ZINC000048249222 564030203 /nfs/dbraw/zinc/03/02/03/564030203.db2.gz GSQSLKQVNIJITM-AWEZNQCLSA-N 0 0 331.466 4.505 50 0 EJAARN CCN(Cc1cccc(F)c1)C(=O)c1c(C)oc2ccc(OC)cc21 ZINC000048290976 564030575 /nfs/dbraw/zinc/03/05/75/564030575.db2.gz LTCYHXCLWATWGS-UHFFFAOYSA-N 0 0 341.382 4.551 50 0 EJAARN CCOc1ccccc1C(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000048303539 564030677 /nfs/dbraw/zinc/03/06/77/564030677.db2.gz PMYPZSWMYHQGNB-UHFFFAOYSA-N 0 0 334.375 4.525 50 0 EJAARN c1sc(COc2ccccc2)nc1COc1ccc2c(c1)CCC2 ZINC000048311300 564030788 /nfs/dbraw/zinc/03/07/88/564030788.db2.gz RIVXZOGAPXQOCH-UHFFFAOYSA-N 0 0 337.444 4.790 50 0 EJAARN Cc1ccc2c(c1)CCCN2C(=O)c1cc2ccc(F)cc2nc1C ZINC000048326347 564031134 /nfs/dbraw/zinc/03/11/34/564031134.db2.gz WUPNLAMZGHCCJG-UHFFFAOYSA-N 0 0 334.394 4.584 50 0 EJAARN O=C(Nc1cccc(-n2cccc2)c1)c1sccc1Br ZINC000048824454 564032307 /nfs/dbraw/zinc/03/23/07/564032307.db2.gz LSHVYEQOQABYJZ-UHFFFAOYSA-N 0 0 347.237 4.554 50 0 EJAARN C[C@H](N[C@@H](C)c1ccc(Cl)cc1Cl)c1nc(C2CC2)no1 ZINC000051535223 564033596 /nfs/dbraw/zinc/03/35/96/564033596.db2.gz GNWHGLIPKBYPLA-IUCAKERBSA-N 0 0 326.227 4.666 50 0 EJAARN C[C@@H](N[C@H](C)c1ccc(Cl)cc1Cl)c1nc(C2CC2)no1 ZINC000051535228 564033605 /nfs/dbraw/zinc/03/36/05/564033605.db2.gz GNWHGLIPKBYPLA-RKDXNWHRSA-N 0 0 326.227 4.666 50 0 EJAARN Oc1cccc2c(Nc3ncnc4sc5c(c43)CCC5)cccc12 ZINC000006923201 564033831 /nfs/dbraw/zinc/03/38/31/564033831.db2.gz NMKVBWFYGULVOF-UHFFFAOYSA-N 0 0 333.416 4.782 50 0 EJAARN O=C(Cc1c(F)cccc1Cl)Nc1ccc(OC(F)(F)F)cc1 ZINC000006943465 564033880 /nfs/dbraw/zinc/03/38/80/564033880.db2.gz NGZSNOMYBBNXHC-UHFFFAOYSA-N 0 0 347.695 4.559 50 0 EJAARN Cc1ccccc1NC(=O)Cc1nc(-c2ccc(Cl)cc2)cs1 ZINC000007844941 564034538 /nfs/dbraw/zinc/03/45/38/564034538.db2.gz NXGMEKXOHFLOLD-UHFFFAOYSA-N 0 0 342.851 4.953 50 0 EJAARN CCOc1cc([C@@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)ccc1O ZINC000000818060 564034996 /nfs/dbraw/zinc/03/49/96/564034996.db2.gz BQTMFZDCWAPBEB-OAQYLSRUSA-N 0 0 349.434 4.552 50 0 EJAARN O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCCC[C@H]1c1ccccn1 ZINC000221183782 564036059 /nfs/dbraw/zinc/03/60/59/564036059.db2.gz UQRZASLFWJQXEH-SFHVURJKSA-N 0 0 339.826 4.584 50 0 EJAARN COc1cccc(CO[C@H]2C[C@H](C)S[C@@H]3C=CC(Cl)=C[C@@H]32)c1 ZINC000221673553 564036363 /nfs/dbraw/zinc/03/63/63/564036363.db2.gz TUBWQLBEFSFOMZ-PSMGESJCSA-N 0 0 336.884 4.783 50 0 EJAARN COc1ccc(C(=O)C[C@H](c2ccccc2)[C@@H]2CCCCC2=O)cc1 ZINC000000432116 564036733 /nfs/dbraw/zinc/03/67/33/564036733.db2.gz AEPJJSIKAPYQBL-VQTJNVASSA-N 0 0 336.431 4.811 50 0 EJAARN O=C(c1ccccc1-c1ccccc1F)N(Cc1cccnc1)C1CC1 ZINC000223511148 564040287 /nfs/dbraw/zinc/04/02/87/564040287.db2.gz VYSWSYKWUZDTGE-UHFFFAOYSA-N 0 0 346.405 4.693 50 0 EJAARN CCC(CC)(CC)S(=O)(=O)Cc1cccc(Br)c1C ZINC000225458814 564046953 /nfs/dbraw/zinc/04/69/53/564046953.db2.gz 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CC(=O)O[C@@H]1C[C@@H]2CC[C@@H]3[C@@H]4CCC[C@]4(C)CC[C@@H]3[C@@]2(C)CC1=O ZINC000257345639 564055854 /nfs/dbraw/zinc/05/58/54/564055854.db2.gz FASYXTMQFUGQBE-WEEZVYGMSA-N 0 0 332.484 4.530 50 0 EJAARN CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC(=O)[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257345969 564055856 /nfs/dbraw/zinc/05/58/56/564055856.db2.gz NTPXXNCDCQTPIF-XEZPHNPWSA-N 0 0 332.484 4.530 50 0 EJAARN CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC(=O)[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000257345970 564055863 /nfs/dbraw/zinc/05/58/63/564055863.db2.gz NTPXXNCDCQTPIF-XHOBZQISSA-N 0 0 332.484 4.530 50 0 EJAARN CCOc1ccc2[nH]c(COc3cc(C)c(Cl)c(C)c3)nc2c1 ZINC000082087022 564056205 /nfs/dbraw/zinc/05/62/05/564056205.db2.gz ZCZZJZIJEPONQY-UHFFFAOYSA-N 0 0 330.815 4.811 50 0 EJAARN O=C(Nc1nc(C2CC2)cs1)c1ccccc1Cc1ccccc1 ZINC000025560781 564056278 /nfs/dbraw/zinc/05/62/78/564056278.db2.gz ICJMSABHPYFROY-UHFFFAOYSA-N 0 0 334.444 4.864 50 0 EJAARN CCC(CC)c1nnc(NC(=O)c2ccccc2C(F)(F)F)s1 ZINC000005860381 564056668 /nfs/dbraw/zinc/05/66/68/564056668.db2.gz BEBXEVKLCCZPDW-UHFFFAOYSA-N 0 0 343.374 4.713 50 0 EJAARN O=C(NCCc1ccc(Cl)cc1)C1c2ccccc2-c2ccccc21 ZINC000005938050 564057138 /nfs/dbraw/zinc/05/71/38/564057138.db2.gz VZICPBNVAPCOBK-UHFFFAOYSA-N 0 0 347.845 4.811 50 0 EJAARN O=C(Cc1ccsc1)Nc1nc(-c2c[nH]c3ccccc32)cs1 ZINC000005938082 564057189 /nfs/dbraw/zinc/05/71/89/564057189.db2.gz HWNXHTUDBPSBOT-UHFFFAOYSA-N 0 0 339.445 4.534 50 0 EJAARN O[C@H](c1ccccc1)C1(c2ccccc2)O[C@@H]2CCCCCC[C@H]2O1 ZINC000005947774 564057261 /nfs/dbraw/zinc/05/72/61/564057261.db2.gz OCBKKPZQWLEFFE-NJDAHSKKSA-N 0 0 338.447 4.711 50 0 EJAARN COc1ccccc1OCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000005965524 564057370 /nfs/dbraw/zinc/05/73/70/564057370.db2.gz YGIBXMHQHSKBIE-UHFFFAOYSA-N 0 0 349.386 4.505 50 0 EJAARN Cc1cccc(C)c1Oc1ccccc1NCc1nc(C2CC2)no1 ZINC000063469621 564057584 /nfs/dbraw/zinc/05/75/84/564057584.db2.gz PKHVKKYQJFHYDL-UHFFFAOYSA-N 0 0 335.407 4.968 50 0 EJAARN Cc1ccc(C(=O)N([C@H](C)c2cccc(C(F)(F)F)c2)C2CC2)o1 ZINC000058700941 564057791 /nfs/dbraw/zinc/05/77/91/564057791.db2.gz NQNAAPLUBZTOMW-GFCCVEGCSA-N 0 0 337.341 4.973 50 0 EJAARN Cc1c2ccc3ccccc3c2oc1C(=O)N(C)CCc1ccncc1 ZINC000063529674 564057792 /nfs/dbraw/zinc/05/77/92/564057792.db2.gz HSOWSTXYQGVMAH-UHFFFAOYSA-N 0 0 344.414 4.604 50 0 EJAARN CC(C)c1nc(Cn2c3ccccc3nc2C(F)(F)F)cs1 ZINC000054174549 564058061 /nfs/dbraw/zinc/05/80/61/564058061.db2.gz IURWVIKMTZATRK-UHFFFAOYSA-N 0 0 325.359 4.683 50 0 EJAARN CCc1cccc(C)c1Nc1nnc(SCc2cc(C)on2)s1 ZINC000012534540 564058404 /nfs/dbraw/zinc/05/84/04/564058404.db2.gz AOAUYEUQUWIQSF-UHFFFAOYSA-N 0 0 346.481 4.741 50 0 EJAARN CC(C)(C)C1CCC(C(=O)OCC(=O)c2ccc(Cl)s2)CC1 ZINC000003229261 564058583 /nfs/dbraw/zinc/05/85/83/564058583.db2.gz YFSVRSTYCZTDDT-UHFFFAOYSA-N 0 0 342.888 4.980 50 0 EJAARN CC(C)(C)c1csc(NC(=O)c2cc(Cl)cc(Cl)c2)n1 ZINC000003258079 564058727 /nfs/dbraw/zinc/05/87/27/564058727.db2.gz YIXSBTBGKRVYIQ-UHFFFAOYSA-N 0 0 329.252 5.000 50 0 EJAARN Cc1cccc(NC(=O)N(C)Cc2ccccc2N2CCCCC2)c1 ZINC000012549415 564059078 /nfs/dbraw/zinc/05/90/78/564059078.db2.gz MBFCGXRRESRYOL-UHFFFAOYSA-N 0 0 337.467 4.649 50 0 EJAARN O=C(Nc1ccc(Cl)cc1)N[C@@H](c1ccccc1)c1ccccn1 ZINC000012557612 564059353 /nfs/dbraw/zinc/05/93/53/564059353.db2.gz JZLQJERXAWUAPW-SFHVURJKSA-N 0 0 337.810 4.646 50 0 EJAARN Cc1[nH]c2ccccc2c1C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000012557695 564059373 /nfs/dbraw/zinc/05/93/73/564059373.db2.gz JDYAFNBAKPGOLW-UHFFFAOYSA-N 0 0 333.435 4.719 50 0 EJAARN O=C(Cc1ccsc1)Oc1ccc2cc(Br)ccc2c1 ZINC000003360541 564059475 /nfs/dbraw/zinc/05/94/75/564059475.db2.gz RQQIQSIKFVHWNF-UHFFFAOYSA-N 0 0 347.233 4.812 50 0 EJAARN Cc1ccc2c(CC(=O)Nc3ccc(OC(F)F)cc3)coc2c1 ZINC000003524995 564059913 /nfs/dbraw/zinc/05/99/13/564059913.db2.gz BKKJQBOAVPCISI-UHFFFAOYSA-N 0 0 331.318 4.524 50 0 EJAARN Cc1noc(C)c1C(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1 ZINC000003533569 564059922 /nfs/dbraw/zinc/05/99/22/564059922.db2.gz JGZVMHALSWKXGZ-UHFFFAOYSA-N 0 0 341.436 4.593 50 0 EJAARN CCCCc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 ZINC000012578338 564060001 /nfs/dbraw/zinc/06/00/01/564060001.db2.gz ICHRBMKPQSEIPF-FQEVSTJZSA-N 0 0 347.462 4.883 50 0 EJAARN CN(CC(=O)Nc1ccccc1Cl)Cc1ccc(C(C)(C)C)cc1 ZINC000003584402 564060042 /nfs/dbraw/zinc/06/00/42/564060042.db2.gz JNFIAGKAVVMAQW-UHFFFAOYSA-N 0 0 344.886 4.708 50 0 EJAARN O=C(CCc1ccccc1)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000012583489 564060087 /nfs/dbraw/zinc/06/00/87/564060087.db2.gz VGGRCIJGUJMXJQ-UHFFFAOYSA-N 0 0 347.443 4.634 50 0 EJAARN CCOC(=O)c1cc2c(nc(C(F)(F)F)cc2C(F)(F)F)s1 ZINC000012584662 564060126 /nfs/dbraw/zinc/06/01/26/564060126.db2.gz BRTFADYBQAAYPY-UHFFFAOYSA-N 0 0 343.248 4.511 50 0 EJAARN Cc1ccc(N2C(=O)N([C@H](C)c3ccccc3Cl)C(=O)[C@H]2C)cc1 ZINC000012598929 564060333 /nfs/dbraw/zinc/06/03/33/564060333.db2.gz QJPZXIPWDTXSSX-ZIAGYGMSSA-N 0 0 342.826 4.567 50 0 EJAARN Cc1nc2cc(C(=O)N(C)c3ccccc3)ccc2n1-c1ccccc1 ZINC000012601928 564060430 /nfs/dbraw/zinc/06/04/30/564060430.db2.gz HSGARNRLSSMTLC-UHFFFAOYSA-N 0 0 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CC(=O)Nc1ccc(OCC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000045068630 564076255 /nfs/dbraw/zinc/07/62/55/564076255.db2.gz ZDYLPJMXWSKVPP-UHFFFAOYSA-N 0 0 345.398 4.574 50 0 EJAARN Cc1nc(-c2cccs2)c(CC(=O)N[C@@H](C)c2ccccc2)s1 ZINC000015840073 564076618 /nfs/dbraw/zinc/07/66/18/564076618.db2.gz OHTKTFCUHFJIKH-LBPRGKRZSA-N 0 0 342.489 4.600 50 0 EJAARN Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(C)c(C)c2)s1 ZINC000015840142 564076622 /nfs/dbraw/zinc/07/66/22/564076622.db2.gz HAHVRCWCNPCIKX-UHFFFAOYSA-N 0 0 342.489 4.978 50 0 EJAARN Cc1cccc(-c2cc(Nc3cc(Cl)ccc3O)nc(C)n2)c1 ZINC000015859105 564076835 /nfs/dbraw/zinc/07/68/35/564076835.db2.gz XUXTXTMMKBAJBH-UHFFFAOYSA-N 0 0 325.799 4.863 50 0 EJAARN CCOc1ccccc1Nc1cc(-c2ccc(OC)cc2)nc(C)n1 ZINC000015859154 564076838 /nfs/dbraw/zinc/07/68/38/564076838.db2.gz KVGQXPCZZYRLRF-UHFFFAOYSA-N 0 0 335.407 4.603 50 0 EJAARN COc1cc(OC)cc(-c2nc3ccccc3n2Cc2ccccc2)c1 ZINC000015861480 564076953 /nfs/dbraw/zinc/07/69/53/564076953.db2.gz AUYQBXPXCWWAIW-UHFFFAOYSA-N 0 0 344.414 4.769 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331.400 4.611 50 0 EJAARN O=C(NCCc1ccc(-c2ccsc2)s1)Nc1cccs1 ZINC000575414082 564078877 /nfs/dbraw/zinc/07/88/77/564078877.db2.gz QLSXNTCOVRWKRP-UHFFFAOYSA-N 0 0 334.491 4.902 50 0 EJAARN CCN1c2ccccc2S/C1=C\C=C/C(=O)c1ccccc1OC ZINC000006147214 564079345 /nfs/dbraw/zinc/07/93/45/564079345.db2.gz PHXBJPAYNVMLPW-FRXBQNMSSA-N 0 0 337.444 4.908 50 0 EJAARN O=C(N[C@H]1CCc2ccccc21)C(c1ccccc1)c1ccccc1 ZINC000012946471 564079707 /nfs/dbraw/zinc/07/97/07/564079707.db2.gz HLFJZROTZBJVDW-NRFANRHFSA-N 0 0 327.427 4.622 50 0 EJAARN CC1(C)CCC[C@@H]1N(Cc1nc(C2CC2)no1)Cc1ccccc1 ZINC000075105238 564080175 /nfs/dbraw/zinc/08/01/75/564080175.db2.gz QLNNWYYCLZOKMV-KRWDZBQOSA-N 0 0 325.456 4.528 50 0 EJAARN O=C(CCSc1ccccc1)N1CCC(c2cccs2)CC1 ZINC000075157040 564080917 /nfs/dbraw/zinc/08/09/17/564080917.db2.gz LVYVLYUZQGGLDX-UHFFFAOYSA-N 0 0 331.506 4.637 50 0 EJAARN O=C(/C=C/c1ccccc1Cl)N1CCC(c2cccs2)CC1 ZINC000075157041 564080940 /nfs/dbraw/zinc/08/09/40/564080940.db2.gz UHINDKJFWDRLOH-BQYQJAHWSA-N 0 0 331.868 4.821 50 0 EJAARN Cc1nc(-c2ccccc2)sc1CNC(=O)Nc1cccc(C)c1 ZINC000075166437 564080999 /nfs/dbraw/zinc/08/09/99/564080999.db2.gz VCAWNNKAQWZORQ-UHFFFAOYSA-N 0 0 337.448 4.749 50 0 EJAARN O[C@H](c1ccccc1)C1(c2ccccc2)O[C@H]2CCCCCC[C@@H]2O1 ZINC000075260714 564081308 /nfs/dbraw/zinc/08/13/08/564081308.db2.gz OCBKKPZQWLEFFE-PCCBWWKXSA-N 0 0 338.447 4.711 50 0 EJAARN Cc1cc(C)n(C(=O)[C@H]2CC=C(C)C[C@@H]2c2ccc(Cl)cc2)n1 ZINC000075273247 564081370 /nfs/dbraw/zinc/08/13/70/564081370.db2.gz VFKCAZZEXJVLOT-ZWKOTPCHSA-N 0 0 328.843 4.934 50 0 EJAARN CN(c1nc(C(C)(C)C)c(C(=O)C(F)(F)F)s1)c1ccccc1 ZINC000075279840 564081491 /nfs/dbraw/zinc/08/14/91/564081491.db2.gz WOUFDKFIDLWHFT-UHFFFAOYSA-N 0 0 342.386 4.954 50 0 EJAARN CCC(CC)C(=O)Nc1cc(-c2c(C)c3ccccc3n2CC)[nH]n1 ZINC000075332731 564081909 /nfs/dbraw/zinc/08/19/09/564081909.db2.gz XYGGPMZBZIWXEE-UHFFFAOYSA-N 0 0 338.455 4.734 50 0 EJAARN CCOc1ccccc1NC(=O)/C=C/c1cccc(C(F)(F)F)c1 ZINC000007310905 564082102 /nfs/dbraw/zinc/08/21/02/564082102.db2.gz ZQJKEIYKKUGXBF-ZHACJKMWSA-N 0 0 335.325 4.756 50 0 EJAARN O=C(NCc1ccc(-c2cccs2)o1)Nc1c(F)cccc1F ZINC000575607788 564082438 /nfs/dbraw/zinc/08/24/38/564082438.db2.gz CRBDPGAYXPAWQG-UHFFFAOYSA-N 0 0 334.347 4.608 50 0 EJAARN O=C(NCc1ccc(-c2ccco2)o1)NCc1cccc2ccccc21 ZINC000575611047 564082616 /nfs/dbraw/zinc/08/26/16/564082616.db2.gz TZFOZQPVTAAEFH-UHFFFAOYSA-N 0 0 346.386 4.692 50 0 EJAARN O=C(Cc1c(F)cccc1Cl)NCc1ccc(-c2ccsc2)o1 ZINC000575611887 564082663 /nfs/dbraw/zinc/08/26/63/564082663.db2.gz ZRVSAXMGIYEWMX-UHFFFAOYSA-N 0 0 349.814 4.660 50 0 EJAARN CC[C@@H](C)[C@@H](N)c1nnc(SCc2ccc(Cl)cc2Cl)o1 ZINC000006224215 564083098 /nfs/dbraw/zinc/08/30/98/564083098.db2.gz CMUDICHQEPXIDK-PRHODGIISA-N 0 0 346.283 4.715 50 0 EJAARN O=C(/C=C/c1cccs1)Nc1ncc(Cc2ccccc2F)s1 ZINC000006227095 564083101 /nfs/dbraw/zinc/08/31/01/564083101.db2.gz FXCWJBAXQVTKKG-BQYQJAHWSA-N 0 0 344.436 4.586 50 0 EJAARN c1coc(-c2nnc(-c3ccccc3)c(-c3c[nH]c4ccccc43)n2)c1 ZINC000006242377 564083183 /nfs/dbraw/zinc/08/31/83/564083183.db2.gz WOODICMSVMBFPQ-UHFFFAOYSA-N 0 0 338.370 4.947 50 0 EJAARN O=C(NCc1cncc(C2CC2)c1)c1ccc(-c2cccs2)cc1 ZINC000575619701 564083794 /nfs/dbraw/zinc/08/37/94/564083794.db2.gz MKZHUWXZBRQPAV-UHFFFAOYSA-N 0 0 334.444 4.618 50 0 EJAARN C[C@@H](Cc1csc2ccccc12)NC(=O)/C=C/c1cccs1 ZINC000575621541 564083975 /nfs/dbraw/zinc/08/39/75/564083975.db2.gz PLVMEJQNTZXLRK-XEHSLEBBSA-N 0 0 327.474 4.723 50 0 EJAARN CCOC(=O)N(C)/C(=C/c1ccccc1)c1ccnc2ccccc21 ZINC000075402884 564083986 /nfs/dbraw/zinc/08/39/86/564083986.db2.gz VXCAMKSGPSOSOW-HMMYKYKNSA-N 0 0 332.403 4.821 50 0 EJAARN CN(C)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000001734072 564084683 /nfs/dbraw/zinc/08/46/83/564084683.db2.gz GLFZOJICQKKTND-UHFFFAOYSA-N 0 0 330.431 4.523 50 0 EJAARN C[C@H](SCCC(=O)NCc1ccccc1Cl)c1ccccc1 ZINC000012979111 564084971 /nfs/dbraw/zinc/08/49/71/564084971.db2.gz NMBWXPZAECEESY-AWEZNQCLSA-N 0 0 333.884 4.841 50 0 EJAARN CSc1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 ZINC000012980158 564085001 /nfs/dbraw/zinc/08/50/01/564085001.db2.gz DVGSMGDCZLHERG-LBPRGKRZSA-N 0 0 335.856 4.776 50 0 EJAARN O=C(c1ccccc1Cl)N(Cc1ccoc1)Cc1cccs1 ZINC000090612092 564085056 /nfs/dbraw/zinc/08/50/56/564085056.db2.gz SQDCUTOCPYDTKP-UHFFFAOYSA-N 0 0 331.824 4.837 50 0 EJAARN O=C(CSc1ccccc1Cl)NC12CC3CC(CC(C3)C1)C2 ZINC000006352017 564085257 /nfs/dbraw/zinc/08/52/57/564085257.db2.gz BVXZLVLEHAXOII-UHFFFAOYSA-N 0 0 335.900 4.517 50 0 EJAARN Cc1nc(-c2ccc(NC(=O)c3cc(Cl)ccc3F)cc2)co1 ZINC000012981078 564085585 /nfs/dbraw/zinc/08/55/85/564085585.db2.gz IAPXLQQDYXVUJA-UHFFFAOYSA-N 0 0 330.746 4.695 50 0 EJAARN CC(C)c1ccc(C(=O)NCCCc2nc3ccccc3s2)cc1 ZINC000012982699 564085703 /nfs/dbraw/zinc/08/57/03/564085703.db2.gz BMXJHVDNDSUVQH-UHFFFAOYSA-N 0 0 338.476 4.782 50 0 EJAARN FC(F)(F)c1cc(Cl)cc(Cl)c1I ZINC000575694502 564085746 /nfs/dbraw/zinc/08/57/46/564085746.db2.gz MFTFCEXFGOKBJO-UHFFFAOYSA-N 0 0 340.897 4.617 50 0 EJAARN CCOc1cc2c(cc1NC(=O)C[C@@H](C)c1ccccc1)O[C@H](C)C2 ZINC000013002454 564086321 /nfs/dbraw/zinc/08/63/21/564086321.db2.gz OLZUBEUCGXMDNV-HUUCEWRRSA-N 0 0 339.435 4.541 50 0 EJAARN Cc1ccc(CNC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000013002895 564086333 /nfs/dbraw/zinc/08/63/33/564086333.db2.gz ACPNUKYBMIPNAU-UHFFFAOYSA-N 0 0 337.250 4.643 50 0 EJAARN COc1ccccc1Oc1ccc(NC(=O)c2ccc(Cl)o2)cc1 ZINC000013006490 564086430 /nfs/dbraw/zinc/08/64/30/564086430.db2.gz TYVZEWYUVJPALB-UHFFFAOYSA-N 0 0 343.766 4.986 50 0 EJAARN CCCc1nc2cc(CCC(=O)Nc3ccc(C)cc3C)ccc2[nH]1 ZINC000075478711 564086613 /nfs/dbraw/zinc/08/66/13/564086613.db2.gz OWAQIBZXGOWGDW-UHFFFAOYSA-N 0 0 335.451 4.704 50 0 EJAARN O=C(Nc1ccc(Br)cc1)[C@H]1CCCc2ccccc21 ZINC000013015048 564086782 /nfs/dbraw/zinc/08/67/82/564086782.db2.gz LXJQHVFCFPGCPN-INIZCTEOSA-N 0 0 330.225 4.508 50 0 EJAARN O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccc(Cl)o1 ZINC000013015502 564086799 /nfs/dbraw/zinc/08/67/99/564086799.db2.gz BUAVWXSSZAVSDR-UHFFFAOYSA-N 0 0 340.738 4.587 50 0 EJAARN Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)cc1 ZINC000013018915 564086881 /nfs/dbraw/zinc/08/68/81/564086881.db2.gz PASRMZPSOAHIPC-IRXDYDNUSA-N 0 0 333.431 4.793 50 0 EJAARN CCCCCCn1nnc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 ZINC000001784979 564087606 /nfs/dbraw/zinc/08/76/06/564087606.db2.gz XYPYMHRSOBKGSJ-CYBMUJFWSA-N 0 0 347.528 4.584 50 0 EJAARN Cc1cccc(NC(=O)[C@H]2[C@@H]3CC[C@@H]4[C@H](CC[C@H]32)C4(Cl)Cl)c1 ZINC000239310476 564088080 /nfs/dbraw/zinc/08/80/80/564088080.db2.gz ILZRVBWTTJKFOR-SUJAAXHWSA-N 0 0 338.278 4.790 50 0 aggregator EJAARN CC[C@@H](C)c1ccccc1NC(=O)CN1CCc2sccc2[C@H]1C ZINC000241693950 564088403 /nfs/dbraw/zinc/08/84/03/564088403.db2.gz QJBOLBSXTIZPLP-HUUCEWRRSA-N 0 0 342.508 4.819 50 0 EJAARN COc1ccc([C@@H]2C[C@]23CC[C@]2(C[C@H]2c2ccc(OC)cc2)C3=O)cc1 ZINC000245256633 564088660 /nfs/dbraw/zinc/08/86/60/564088660.db2.gz SCWGCMYYEYQDTI-JFJDKTSWSA-N 0 0 348.442 4.714 50 0 EJAARN O=[S@](Cc1cccc(NC2CCCCCCC2)c1)C1CCOCC1 ZINC000092170065 564088924 /nfs/dbraw/zinc/08/89/24/564088924.db2.gz SYWKWQMMTNXUKU-DEOSSOPVSA-N 0 0 349.540 4.639 50 0 EJAARN CCCCCCOc1ccc(C(=O)OCC(=O)c2ccccc2)cc1 ZINC000001863556 564088982 /nfs/dbraw/zinc/08/89/82/564088982.db2.gz OPBDCRQMVMRHRF-UHFFFAOYSA-N 0 0 340.419 4.685 50 0 biogenic EJAARN COc1ccc(Cl)cc1-c1nc(S[C@@H](C)c2ccccc2)n[nH]1 ZINC000006463778 564089371 /nfs/dbraw/zinc/08/93/71/564089371.db2.gz HFSJCDWHINZYSJ-NSHDSACASA-N 0 0 345.855 4.987 50 0 EJAARN O=C(Nc1cccc2[nH]cnc21)c1cccc(Oc2ccccc2)c1 ZINC000075566862 564089551 /nfs/dbraw/zinc/08/95/51/564089551.db2.gz SXHDJQJCNWEWDQ-UHFFFAOYSA-N 0 0 329.359 4.608 50 0 EJAARN COc1cc(Cl)c(C)cc1NC(=O)CCCOc1cccc(C)c1 ZINC000001910560 564089926 /nfs/dbraw/zinc/08/99/26/564089926.db2.gz SHVAIBIOGZUKPF-UHFFFAOYSA-N 0 0 347.842 4.763 50 0 EJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cccc(C)c1 ZINC000026886098 564090300 /nfs/dbraw/zinc/09/03/00/564090300.db2.gz QDIIMQFIPJKEOV-UHFFFAOYSA-N 0 0 340.810 4.542 50 0 EJAARN Cc1cccc(NC(=O)N2CCn3cccc3[C@H]2c2cccc(F)c2)c1 ZINC000006504330 564091079 /nfs/dbraw/zinc/09/10/79/564091079.db2.gz KTMIFBGNRFYXBU-HXUWFJFHSA-N 0 0 349.409 4.573 50 0 EJAARN C/C=C/C=C/C(=O)O[C@H](C(=O)Nc1cc(C)cc(C)c1)c1ccccc1 ZINC000015180805 564091187 /nfs/dbraw/zinc/09/11/87/564091187.db2.gz QEVXPMQLNDNWJW-HLYJYUIMSA-N 0 0 349.430 4.659 50 0 EJAARN Brc1ccc(-c2csc(N3CCCCC3)n2)s1 ZINC000006510157 564091257 /nfs/dbraw/zinc/09/12/57/564091257.db2.gz OFKNEBHNHYNFGR-UHFFFAOYSA-N 0 0 329.288 4.624 50 0 EJAARN CCCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1cccc(C)c1 ZINC000064438994 564091344 /nfs/dbraw/zinc/09/13/44/564091344.db2.gz LCGHGRSALSKQRN-UHFFFAOYSA-N 0 0 349.434 4.596 50 0 EJAARN O=C(Nc1nc2c(s1)CCC2)C1c2ccccc2Oc2ccccc21 ZINC000006535873 564091716 /nfs/dbraw/zinc/09/17/16/564091716.db2.gz DMCWHVLSTVRZHL-UHFFFAOYSA-N 0 0 348.427 4.508 50 0 EJAARN CCC(=O)c1ccc(OCc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000006552278 564091940 /nfs/dbraw/zinc/09/19/40/564091940.db2.gz JEHRWJQNLMCKBZ-UHFFFAOYSA-N 0 0 342.782 4.562 50 0 EJAARN Cc1noc(C)c1COC(=O)c1c(Cl)ccc(Cl)c1Cl ZINC000006560647 564092066 /nfs/dbraw/zinc/09/20/66/564092066.db2.gz XLAWVPJWEIFYGN-UHFFFAOYSA-N 0 0 334.586 4.609 50 0 EJAARN Cc1cccc([C@H]2CCCN2C(=O)c2cc(-c3ccccc3)on2)c1 ZINC000064526094 564092074 /nfs/dbraw/zinc/09/20/74/564092074.db2.gz SWNFIBGAJZDXGW-LJQANCHMSA-N 0 0 332.403 4.627 50 0 EJAARN Cc1cc([C@H](C)NC(=O)Nc2ccc3c(c2)CCCN3C)c(C)s1 ZINC000064562408 564092236 /nfs/dbraw/zinc/09/22/36/564092236.db2.gz QVAGJXSPQVUAID-ZDUSSCGKSA-N 0 0 343.496 4.630 50 0 EJAARN Clc1ccc(COc2ccc(-c3nc4ccccc4[nH]3)cn2)cc1 ZINC000006586180 564092280 /nfs/dbraw/zinc/09/22/80/564092280.db2.gz WIIJQNUQTLFKSF-UHFFFAOYSA-N 0 0 335.794 4.857 50 0 EJAARN COc1ccc2cc(CN3CCc4sccc4C3)c(Cl)nc2c1 ZINC000025309976 564092334 /nfs/dbraw/zinc/09/23/34/564092334.db2.gz NRKSTMJPFCBQIC-UHFFFAOYSA-N 0 0 344.867 4.517 50 0 EJAARN CN(C)c1ccc(CCC(=O)OCc2cccc3ccccc32)cc1 ZINC000006590185 564092415 /nfs/dbraw/zinc/09/24/15/564092415.db2.gz IRTXQDBLYADZQI-UHFFFAOYSA-N 0 0 333.431 4.582 50 0 EJAARN Cc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1Cl ZINC000064580985 564092501 /nfs/dbraw/zinc/09/25/01/564092501.db2.gz BQWVEHQIETZEES-UHFFFAOYSA-N 0 0 346.217 4.740 50 0 EJAARN O=C(Cc1c[nH]c2ccccc12)Nc1ccc(Cl)c2ncccc12 ZINC000026071271 564092566 /nfs/dbraw/zinc/09/25/66/564092566.db2.gz ZUHXHYLCWWOSLB-UHFFFAOYSA-N 0 0 335.794 4.551 50 0 EJAARN Cc1ccccc1NC(=O)CSc1cc(C)c2cccc(C)c2n1 ZINC000004801525 564093131 /nfs/dbraw/zinc/09/31/31/564093131.db2.gz HECRETLDCCETMP-UHFFFAOYSA-N 0 0 336.460 4.891 50 0 EJAARN C[C@H](CC(=O)NCCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000006606773 564093143 /nfs/dbraw/zinc/09/31/43/564093143.db2.gz ZLGMUOLKASPMIP-CYBMUJFWSA-N 0 0 336.262 4.846 50 0 EJAARN CCc1ccccc1NC(=O)c1csc(-c2ccc(C)s2)n1 ZINC000064676448 564095163 /nfs/dbraw/zinc/09/51/63/564095163.db2.gz YWNVJOPIJCSEJG-UHFFFAOYSA-N 0 0 328.462 4.995 50 0 EJAARN Cc1ccc(-c2nc(C(=O)Nc3cc(F)ccc3F)cs2)s1 ZINC000064676412 564095168 /nfs/dbraw/zinc/09/51/68/564095168.db2.gz RWEMVGHUQIXHHV-UHFFFAOYSA-N 0 0 336.388 4.711 50 0 EJAARN Cc1ccccc1CNc1ccc(-c2nc(-c3ccccc3)no2)cn1 ZINC000064676771 564095237 /nfs/dbraw/zinc/09/52/37/564095237.db2.gz URZBXFKPOPMETG-UHFFFAOYSA-N 0 0 342.402 4.719 50 0 EJAARN COc1ccccc1CCC(=O)Nc1ccccc1Cc1ccccc1 ZINC000006648732 564095305 /nfs/dbraw/zinc/09/53/05/564095305.db2.gz IRBVRYYIQISRHI-UHFFFAOYSA-N 0 0 345.442 4.857 50 0 EJAARN Cc1nc(-c2ccc(C(=O)NCCC3=CCCCC3)cc2)cs1 ZINC000064677334 564095360 /nfs/dbraw/zinc/09/53/60/564095360.db2.gz QJJDRGLGKNSFFE-UHFFFAOYSA-N 0 0 326.465 4.739 50 0 EJAARN CC(=O)c1ccccc1NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000006650732 564095429 /nfs/dbraw/zinc/09/54/29/564095429.db2.gz OGXCWKJBEWNULL-UHFFFAOYSA-N 0 0 345.398 4.721 50 0 EJAARN Cc1ccc(NC(=S)Nc2ccc3[nH]c(C(C)(C)C)nc3c2)cc1 ZINC000006653619 564095449 /nfs/dbraw/zinc/09/54/49/564095449.db2.gz QJGOPBVLSPVUSZ-UHFFFAOYSA-N 0 0 338.480 4.978 50 0 EJAARN Fc1ccc(CNc2nnc(NC3CCCC3)c3ccccc32)cc1 ZINC000064746834 564095781 /nfs/dbraw/zinc/09/57/81/564095781.db2.gz KHEUTYXSMFTLDR-UHFFFAOYSA-N 0 0 336.414 4.736 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/nfs/dbraw/zinc/10/66/49/564106649.db2.gz SHTNPGQTTRYABF-UHFFFAOYSA-N 0 0 348.446 4.800 50 0 EJAARN O=C(C1CC(c2ccccc2)C1)N1CCCCC[C@H]1c1ccncc1 ZINC000065515328 564106724 /nfs/dbraw/zinc/10/67/24/564106724.db2.gz PJPKAXBRGZBUCQ-CBNMVNINSA-N 0 0 334.463 4.719 50 0 EJAARN COc1ccc2[nH]c(SCc3cc(-c4cccs4)on3)nc2c1 ZINC000007318535 564106754 /nfs/dbraw/zinc/10/67/54/564106754.db2.gz FKSSYLJRKLAQOF-UHFFFAOYSA-N 0 0 343.433 4.580 50 0 EJAARN Cc1ccc(Nc2nc(COC(=O)C[C@@H]3C=CCC3)cs2)cc1 ZINC000007372851 564107014 /nfs/dbraw/zinc/10/70/14/564107014.db2.gz GTJCRYRGLKZAQM-CQSZACIVSA-N 0 0 328.437 4.595 50 0 EJAARN CN(C)C(=O)Sc1ccc(NC(=O)c2sccc2C2CC2)cc1 ZINC000065543098 564107327 /nfs/dbraw/zinc/10/73/27/564107327.db2.gz WNLQYOVPDLLONO-UHFFFAOYSA-N 0 0 346.477 4.652 50 0 EJAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Nc2ccccc2C(C)C)c1C ZINC000007370216 564107560 /nfs/dbraw/zinc/10/75/60/564107560.db2.gz NDXSJYWYJMYOSF-CQSZACIVSA-N 0 0 326.440 4.641 50 0 EJAARN O=C(CSc1c(Cl)cccc1Cl)NCc1ccccc1F ZINC000007400113 564107873 /nfs/dbraw/zinc/10/78/73/564107873.db2.gz PAZYLVLXFKNECO-UHFFFAOYSA-N 0 0 344.238 4.541 50 0 EJAARN CCc1cccc(C)c1NC(=O)CCc1c(C)nn(CC(C)C)c1C ZINC000007402220 564107921 /nfs/dbraw/zinc/10/79/21/564107921.db2.gz DRJOGBCKKMSHBG-UHFFFAOYSA-N 0 0 341.499 4.598 50 0 EJAARN Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)c(Cl)c1 ZINC000007403931 564107938 /nfs/dbraw/zinc/10/79/38/564107938.db2.gz SYYQYNKYAMKVSQ-UHFFFAOYSA-N 0 0 331.824 4.602 50 0 EJAARN CCCc1cc(C(=O)Nc2ccc(OC(F)F)cc2)sc1C ZINC000007407062 564108061 /nfs/dbraw/zinc/10/80/61/564108061.db2.gz VHGOMZJDWSHGKB-UHFFFAOYSA-N 0 0 325.380 4.863 50 0 EJAARN Cc1c2cc(Cl)c(C)cc2oc1C(=O)Nc1nnc(C2CC2)s1 ZINC000526052242 564108653 /nfs/dbraw/zinc/10/86/53/564108653.db2.gz IQMXQQCWBOXRAT-UHFFFAOYSA-N 0 0 347.827 4.684 50 0 EJAARN Cc1ccccc1C(=O)N[C@H](c1nc(-c2ccccc2)no1)C(C)(C)C ZINC000526052228 564108662 /nfs/dbraw/zinc/10/86/62/564108662.db2.gz GILOIALVEGDUFM-QGZVFWFLSA-N 0 0 349.434 4.562 50 0 EJAARN Cc1c2cc(C)cc(C)c2oc1C(=O)NCc1cc(F)ccc1C ZINC000526052309 564108666 /nfs/dbraw/zinc/10/86/66/564108666.db2.gz WJLWSXHUUNKTKS-UHFFFAOYSA-N 0 0 325.383 4.736 50 0 EJAARN C=Cc1ccc(C(=O)N[C@H](CC)c2nc(C(F)(F)F)cs2)cc1 ZINC000170595804 564109095 /nfs/dbraw/zinc/10/90/95/564109095.db2.gz SZPBULIXMFQUIJ-GFCCVEGCSA-N 0 0 340.370 4.686 50 0 EJAARN Cc1cc(Br)ccc1NC(=O)c1coc(C2CCCC2)n1 ZINC000170597742 564109133 /nfs/dbraw/zinc/10/91/33/564109133.db2.gz MNZUGOKGLCKXMV-UHFFFAOYSA-N 0 0 349.228 4.655 50 0 EJAARN CSc1ccc(C(=O)Nc2ccccc2Cc2cccnc2)cc1 ZINC000170597723 564109155 /nfs/dbraw/zinc/10/91/55/564109155.db2.gz FUFQVRSETGKTDG-UHFFFAOYSA-N 0 0 334.444 4.647 50 0 EJAARN CO[C@H](C)c1nc(COc2c(C)c(C)nc3ccc(F)cc32)cs1 ZINC000170598284 564109212 /nfs/dbraw/zinc/10/92/12/564109212.db2.gz SRLFTJVECPNMHK-GFCCVEGCSA-N 0 0 346.427 4.734 50 0 EJAARN C[C@H](CC(=O)N1CCCC[C@@H](C)C1)c1ccccc1C(F)(F)F ZINC000170598797 564109243 /nfs/dbraw/zinc/10/92/43/564109243.db2.gz YUEYDLABPLJROX-ZIAGYGMSSA-N 0 0 327.390 4.848 50 0 EJAARN CC(C)Oc1c(Cl)cccc1NC(=O)C12CC(C(F)(F)F)(C1)C2 ZINC000170600701 564109330 /nfs/dbraw/zinc/10/93/30/564109330.db2.gz CZAPBCWJXKXHRF-UHFFFAOYSA-N 0 0 347.764 4.798 50 0 EJAARN Fc1ccc(-c2cc3ncnc(SC[C@@H]4CCCO4)c3s2)cc1 ZINC000007544096 564110273 /nfs/dbraw/zinc/11/02/73/564110273.db2.gz IAMVQHIMFYUKNM-ZDUSSCGKSA-N 0 0 346.452 4.769 50 0 EJAARN COC(=O)c1ccc(NCc2c(C)cc(C)c(C(C)=O)c2C)cc1C ZINC000170621105 564110282 /nfs/dbraw/zinc/11/02/82/564110282.db2.gz SVXWPFQYQCGQTM-UHFFFAOYSA-N 0 0 339.435 4.522 50 0 EJAARN C[C@@H](C1CC1)N(C)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 ZINC000170620756 564110301 /nfs/dbraw/zinc/11/03/01/564110301.db2.gz IEZROHBAMXOHRN-AWEZNQCLSA-N 0 0 342.414 4.667 50 0 EJAARN CC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000170624630 564110384 /nfs/dbraw/zinc/11/03/84/564110384.db2.gz JGLZFLDOPSAYFQ-IAGOWNOFSA-N 0 0 347.336 4.650 50 0 EJAARN Cc1nn(C(C)C)c(C)c1NC(=O)N1CC[C@@H](C)CC[C@H]1C(C)C ZINC000170630096 564110607 /nfs/dbraw/zinc/11/06/07/564110607.db2.gz WTUOMKNZIGCFKE-YOEHRIQHSA-N 0 0 334.508 4.759 50 0 EJAARN CC[C@H](NC(=O)Nc1ccc(OC)cc1OC)c1ccc(Cl)cc1 ZINC000013329045 564111571 /nfs/dbraw/zinc/11/15/71/564111571.db2.gz MKGJYHWCAWRTRV-HNNXBMFYSA-N 0 0 348.830 4.630 50 0 EJAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1NC(=O)Nc1ccc(C)cc1 ZINC000013331664 564111613 /nfs/dbraw/zinc/11/16/13/564111613.db2.gz NQPCLPXWQKAWPP-UHFFFAOYSA-N 0 0 348.450 4.809 50 0 EJAARN COc1ccc(C(C)(C)C)cc1NC(=S)Nc1cccc(F)c1 ZINC000013736916 564111941 /nfs/dbraw/zinc/11/19/41/564111941.db2.gz BEWRPDVANWBJOG-UHFFFAOYSA-N 0 0 332.444 4.941 50 0 EJAARN COc1ccc(C(C)(C)C)cc1NC(=S)NCc1ccc(C)cc1 ZINC000013794194 564112043 /nfs/dbraw/zinc/11/20/43/564112043.db2.gz KTEGSRVMKLWNFM-UHFFFAOYSA-N 0 0 342.508 4.788 50 0 EJAARN C[C@@H](NC(=S)NCCc1ccccc1)c1ccc(C(C)(C)C)cc1 ZINC000013774901 564112057 /nfs/dbraw/zinc/11/20/57/564112057.db2.gz KVJSEBJAKOXUBB-MRXNPFEDSA-N 0 0 340.536 4.752 50 0 EJAARN CCc1ccccc1NC(=S)N1c2ccc(F)cc2CC[C@@H]1C ZINC000013829556 564112104 /nfs/dbraw/zinc/11/21/04/564112104.db2.gz LAENKAXXAVDFDW-ZDUSSCGKSA-N 0 0 328.456 4.926 50 0 EJAARN Cc1ccc(OCc2cc(-c3cccs3)on2)c2c1[C@H](C)CC2=O ZINC000014373758 564112444 /nfs/dbraw/zinc/11/24/44/564112444.db2.gz GSIJMPXNFZZBHQ-GFCCVEGCSA-N 0 0 339.416 4.980 50 0 EJAARN CCCc1ccc(NC(=O)c2cc(C3CC3)nc3onc(C)c32)cc1 ZINC000014481724 564112494 /nfs/dbraw/zinc/11/24/94/564112494.db2.gz LWBAEOLRHSFUBI-UHFFFAOYSA-N 0 0 335.407 4.613 50 0 EJAARN Cc1ccc2c(CC(=O)Nc3ccccc3OC(F)(F)F)coc2c1 ZINC000016724667 564112840 /nfs/dbraw/zinc/11/28/40/564112840.db2.gz BAZWYFQKQSBBRN-UHFFFAOYSA-N 0 0 349.308 4.821 50 0 EJAARN Cc1cccc2c1C(=O)N[C@@H](c1ccc(F)c(-c3cccs3)c1)N2 ZINC000089688963 564113051 /nfs/dbraw/zinc/11/30/51/564113051.db2.gz ZWJBXAWRBFHUAR-SFHVURJKSA-N 0 0 338.407 4.717 50 0 EJAARN CC(C)(C)c1ccc(CCC(=O)N2CCc3ccsc3C2)cc1 ZINC000089694861 564113149 /nfs/dbraw/zinc/11/31/49/564113149.db2.gz FAXLNRQBAFYCEC-UHFFFAOYSA-N 0 0 327.493 4.563 50 0 EJAARN CCc1cccc(CC)c1Nc1nnc(SC[C@H]2CCCO2)s1 ZINC000014676405 564113188 /nfs/dbraw/zinc/11/31/88/564113188.db2.gz HRRODCJOWHVOOV-CQSZACIVSA-N 0 0 349.525 4.678 50 0 EJAARN O=C(Nc1ccccc1Oc1cccc(F)c1)[C@@H]1C[C@H]1c1cccnc1 ZINC000089814115 564114019 /nfs/dbraw/zinc/11/40/19/564114019.db2.gz RTXDZRIFJNRCSE-ZWKOTPCHSA-N 0 0 348.377 4.755 50 0 EJAARN O=C(NCc1ccsc1)c1cc2c(s1)-c1ccccc1CC2 ZINC000089857667 564114287 /nfs/dbraw/zinc/11/42/87/564114287.db2.gz LNUGZVOPDRQSNW-UHFFFAOYSA-N 0 0 325.458 4.505 50 0 EJAARN CC(=O)[C@@H](C)CCCCC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000089895367 564114904 /nfs/dbraw/zinc/11/49/04/564114904.db2.gz QQUVDOAUSBRFKP-HOTGVXAUSA-N 0 0 325.452 4.803 50 0 EJAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2ccc(F)c(Cl)c2)c1C ZINC000008403903 564116420 /nfs/dbraw/zinc/11/64/20/564116420.db2.gz ZFEBRNQAMACSMU-UHFFFAOYSA-N 0 0 339.819 4.602 50 0 EJAARN Cc1ccc2cc(C(=O)N3C[C@@H](c4ccccc4C)C[C@@H]3C)[nH]c2c1 ZINC000170634443 564116551 /nfs/dbraw/zinc/11/65/51/564116551.db2.gz DGNZUULCKOTSNO-WMZOPIPTSA-N 0 0 332.447 4.803 50 0 EJAARN CCCCC(=O)Nc1cccc(C(=O)Nc2ccccc2Cl)c1 ZINC000002073562 564116885 /nfs/dbraw/zinc/11/68/85/564116885.db2.gz FHYYXBKOWAFSCU-UHFFFAOYSA-N 0 0 330.815 4.721 50 0 EJAARN Cc1ccc(OCCOc2cccc3ccc(C)nc32)c(Cl)c1 ZINC000002823409 564116994 /nfs/dbraw/zinc/11/69/94/564116994.db2.gz UYZSHLNKRGNSLU-UHFFFAOYSA-N 0 0 327.811 4.963 50 0 EJAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(-c2ccccc2)o1 ZINC000002890937 564117130 /nfs/dbraw/zinc/11/71/30/564117130.db2.gz MXTBKIUMGZMOQC-UHFFFAOYSA-N 0 0 349.415 4.501 50 0 EJAARN CCc1ccc(N2COc3c(C)c4oc(=O)cc(CC)c4cc3C2)cc1 ZINC000002122861 564118428 /nfs/dbraw/zinc/11/84/28/564118428.db2.gz PDHUWYLEBJPTML-UHFFFAOYSA-N 0 0 349.430 4.583 50 0 biogenic EJAARN CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccccc1C)CO3 ZINC000002125832 564118483 /nfs/dbraw/zinc/11/84/83/564118483.db2.gz YIRRPUDGEJZLOF-UHFFFAOYSA-N 0 0 349.430 4.719 50 0 biogenic EJAARN Cc1cc(=O)oc2c1ccc1c2CN(c2c(C)cccc2C(C)C)CO1 ZINC000002126229 564118499 /nfs/dbraw/zinc/11/84/99/564118499.db2.gz JDBYGBQSDVEHGM-UHFFFAOYSA-N 0 0 349.430 4.890 50 0 biogenic EJAARN COc1ccc([C@H]2CCCCN(C(=O)c3cccc(Cl)c3)C2)cc1 ZINC000208003191 564118739 /nfs/dbraw/zinc/11/87/39/564118739.db2.gz PBXAKSXNCFYJQP-KRWDZBQOSA-N 0 0 343.854 4.759 50 0 EJAARN COc1ccc(NC(=O)Oc2cccc3cccnc32)c(Cl)c1 ZINC000000398469 564118884 /nfs/dbraw/zinc/11/88/84/564118884.db2.gz IMKSMDRQAHLXNZ-UHFFFAOYSA-N 0 0 328.755 4.508 50 0 EJAARN CC(C)c1ccoc1C(=O)Nc1ccccc1OCc1cscn1 ZINC000252496289 564119665 /nfs/dbraw/zinc/11/96/65/564119665.db2.gz PFXPJPMXUCREIT-UHFFFAOYSA-N 0 0 342.420 4.691 50 0 EJAARN FC(F)(F)c1cc([C@@H](NCc2ccon2)C2CC2)ccc1Cl ZINC000390833543 564120230 /nfs/dbraw/zinc/12/02/30/564120230.db2.gz JDFOCVZEWHAKQC-AWEZNQCLSA-N 0 0 330.737 4.588 50 0 EJAARN CCC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000008580617 564120595 /nfs/dbraw/zinc/12/05/95/564120595.db2.gz PDMMFKSKQVNJMI-UFLNNZOMSA-N 0 0 344.495 4.840 50 0 biogenic EJAARN Cc1cc(-c2ccccc2)nc(SCc2cc(-c3ccco3)on2)n1 ZINC000007625467 564121339 /nfs/dbraw/zinc/12/13/39/564121339.db2.gz HQIOTTSUQALSPN-UHFFFAOYSA-N 0 0 349.415 4.992 50 0 EJAARN CN(Cc1cccc2ccccc21)C(=O)c1ccc(-c2cnco2)cc1 ZINC000054725268 564121456 /nfs/dbraw/zinc/12/14/56/564121456.db2.gz DODPJJPOEDNBQY-UHFFFAOYSA-N 0 0 342.398 4.767 50 0 EJAARN COc1ccc(CN(C)Cc2ncc(-c3ccc(Cl)cc3)o2)cc1 ZINC000007682603 564121872 /nfs/dbraw/zinc/12/18/72/564121872.db2.gz SNDUTGAOKBOEOA-UHFFFAOYSA-N 0 0 342.826 4.636 50 0 EJAARN c1ccc(-n2c(SCc3nc4ccccc4o3)nnc2C2CC2)cc1 ZINC000007719499 564122207 /nfs/dbraw/zinc/12/22/07/564122207.db2.gz AWGKDNRDSSNLQU-UHFFFAOYSA-N 0 0 348.431 4.578 50 0 EJAARN c1coc(-c2nnc(SCc3csc(-c4ccsc4)n3)o2)c1 ZINC000007726484 564122310 /nfs/dbraw/zinc/12/23/10/564122310.db2.gz KDAUCYPQUYFGQT-UHFFFAOYSA-N 0 0 347.446 4.807 50 0 EJAARN Clc1nccc(Oc2ccc3cc(Br)ccc3c2)n1 ZINC000007737361 564122442 /nfs/dbraw/zinc/12/24/42/564122442.db2.gz WZVAMXQLUPXKLX-UHFFFAOYSA-N 0 0 335.588 4.838 50 0 EJAARN Cc1nn2c(nc(NCc3ccc(C)cc3)c3ccccc32)c1Cl ZINC000007736633 564122472 /nfs/dbraw/zinc/12/24/72/564122472.db2.gz VRXUKKBRGDAVLJ-UHFFFAOYSA-N 0 0 336.826 4.765 50 0 EJAARN CN(C(=O)CSc1nc(-c2ccccc2)cs1)C1CCCCC1 ZINC000007778935 564123044 /nfs/dbraw/zinc/12/30/44/564123044.db2.gz PSMHKKBQXYWBAR-UHFFFAOYSA-N 0 0 346.521 4.693 50 0 EJAARN CCSc1nnc(-c2ccc(OC)cc2)n1[C@H]1CCCC[C@H]1C ZINC000007780509 564123155 /nfs/dbraw/zinc/12/31/55/564123155.db2.gz FENCPVBIEMKQNK-CJNGLKHVSA-N 0 0 331.485 4.817 50 0 EJAARN O=C(/C=C/c1cccc(Cl)c1)N[C@@H](c1ccco1)c1ccccc1 ZINC000007808763 564123801 /nfs/dbraw/zinc/12/38/01/564123801.db2.gz CYEKOSQFXAVEPZ-YVNCXZRQSA-N 0 0 337.806 4.852 50 0 EJAARN COc1ccccc1CC(=O)Nc1ccccc1Oc1ccc(C)cc1 ZINC000007814014 564123970 /nfs/dbraw/zinc/12/39/70/564123970.db2.gz BOCAHYNGRFGZNE-UHFFFAOYSA-N 0 0 347.414 4.977 50 0 EJAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2ccc3c(c2)CCC3)c1C ZINC000007830291 564124105 /nfs/dbraw/zinc/12/41/05/564124105.db2.gz HMLXIPHLCJLGGD-AWEZNQCLSA-N 0 0 341.476 4.686 50 0 EJAARN CCn1c(C)cc(-c2csc(NCc3ccccc3OC)n2)c1C ZINC000007843249 564124173 /nfs/dbraw/zinc/12/41/73/564124173.db2.gz BKCJOLGCEVBMID-UHFFFAOYSA-N 0 0 341.480 4.869 50 0 EJAARN O=C1c2ccccc2N[C@@H](c2ccc(Cl)cc2Cl)N1C1CC1 ZINC000007885960 564124406 /nfs/dbraw/zinc/12/44/06/564124406.db2.gz AHAIVEIJOLTJOM-MRXNPFEDSA-N 0 0 333.218 4.722 50 0 EJAARN O=C1c2ccccc2N[C@H](c2cccc(Cl)c2Cl)N1C1CC1 ZINC000007885966 564124420 /nfs/dbraw/zinc/12/44/20/564124420.db2.gz DNBWFXRTTXVSJM-INIZCTEOSA-N 0 0 333.218 4.722 50 0 EJAARN CCCCC[C@H]1[C@H](OC(=O)Nc2ccccc2)CC[C@H]1CC(=O)OC ZINC000252693120 564124937 /nfs/dbraw/zinc/12/49/37/564124937.db2.gz AUTCMLIZMUTLIQ-CGTJXYLNSA-N 0 0 347.455 4.773 50 0 biogenic EJAARN S=c1[nH]c(-c2ccc3c(c2)OCO3)cn1-c1ccc(Cl)cc1 ZINC000000424440 564125204 /nfs/dbraw/zinc/12/52/04/564125204.db2.gz VJOJPESIGBQZNT-UHFFFAOYSA-N 0 0 330.796 4.584 50 0 EJAARN C[C@@H](N[C@@H](C)c1ccc(Cl)cc1)c1nnc(-c2cccs2)o1 ZINC000007919226 564125256 /nfs/dbraw/zinc/12/52/56/564125256.db2.gz ZLESPCJLMTWWOW-WDEREUQCSA-N 0 0 333.844 4.863 50 0 EJAARN CN(N=c1[nH]nc(Cc2ccccc2)c2ccccc21)c1ccccc1 ZINC000002274665 564125598 /nfs/dbraw/zinc/12/55/98/564125598.db2.gz PTQPRQNXUPUBEC-UHFFFAOYSA-N 0 0 340.430 4.684 50 0 EJAARN CCC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@H]2C1 ZINC000025541152 564129133 /nfs/dbraw/zinc/12/91/33/564129133.db2.gz SAOVUTZAPBDLOX-LRANODPOSA-N 0 0 346.511 4.920 50 0 EJAARN CCOc1ccc2nc(NC(=O)[C@@H](CC)c3ccccc3)sc2c1 ZINC000000364501 564130159 /nfs/dbraw/zinc/13/01/59/564130159.db2.gz ODDUFEJMIDEAMP-HNNXBMFYSA-N 0 0 340.448 4.827 50 0 EJAARN Cc1cccc([C@@H]2CCCN2C(=O)Nc2cn(C)nc2C(C)C)c1C ZINC000253432700 564131890 /nfs/dbraw/zinc/13/18/90/564131890.db2.gz MWSMFNCVCAUJSX-SFHVURJKSA-N 0 0 340.471 4.529 50 0 EJAARN COP(=O)(OC)[C@@H](Nc1cccc(Cl)c1)c1ccccc1 ZINC000002300445 564132093 /nfs/dbraw/zinc/13/20/93/564132093.db2.gz QNIVWWMRMHCXRW-OAHLLOKOSA-N 0 0 325.732 4.937 50 0 EJAARN CCOc1ccc(N[C@@H](c2ccccc2)P(=O)(OC)OC)cc1 ZINC000002300526 564132108 /nfs/dbraw/zinc/13/21/08/564132108.db2.gz WDOZYHBHNBHCQY-QGZVFWFLSA-N 0 0 335.340 4.682 50 0 EJAARN C[C@H]1CCCc2sc3ncn4nc(-c5ccc(F)cc5)nc4c3c21 ZINC000002346231 564132523 /nfs/dbraw/zinc/13/25/23/564132523.db2.gz MKJXTZXQXDJCEM-JTQLQIEISA-N 0 0 338.411 4.585 50 0 EJAARN Cc1ccccc1/C=C/C(=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000002350921 564132651 /nfs/dbraw/zinc/13/26/51/564132651.db2.gz FWANUXLLYKAPLU-RMKNXTFCSA-N 0 0 338.838 4.502 50 0 EJAARN CCOC(=O)[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](O)CC[C@@H]4[C@H]3CC[C@H]2C1 ZINC000253531421 564133021 /nfs/dbraw/zinc/13/30/21/564133021.db2.gz KTWYNZKAJLJVPO-NVUNRDNVSA-N 0 0 348.527 4.569 50 0 EJAARN C=C(C)[C@@H]1CC=C(C)C(=NNC(=O)CCCNc2cccc(C)c2)C1 ZINC000013139378 564133921 /nfs/dbraw/zinc/13/39/21/564133921.db2.gz QVDKZNKZDBKUOQ-GOSISDBHSA-N 0 0 339.483 4.592 50 0 EJAARN Cc1ccc(Cl)c(NC(=O)N2CCOc3cc(F)ccc3C2)c1C ZINC000585123666 564134022 /nfs/dbraw/zinc/13/40/22/564134022.db2.gz ZYGIKBKYINXHAS-UHFFFAOYSA-N 0 0 348.805 4.522 50 0 EJAARN CN(C)c1ccc(Nc2ncnc3scc(-c4ccccc4)c32)cn1 ZINC000012979885 564135799 /nfs/dbraw/zinc/13/57/99/564135799.db2.gz PSXTUIZOAJFSBH-UHFFFAOYSA-N 0 0 347.447 4.563 50 0 EJAARN Cc1ccc2c(c1)CCCN2CC(=O)Nc1cc(Cl)ccc1Cl ZINC000013056278 564135935 /nfs/dbraw/zinc/13/59/35/564135935.db2.gz GYHVDRLEETWBRO-UHFFFAOYSA-N 0 0 349.261 4.693 50 0 EJAARN Cc1ccc(-c2nc3ccccc3c(NCc3cccnc3)n2)cc1 ZINC000013285384 564136133 /nfs/dbraw/zinc/13/61/33/564136133.db2.gz WTZJBLLWLKFGEQ-UHFFFAOYSA-N 0 0 326.403 4.612 50 0 EJAARN Cc1ccc(-c2nc3n(n2)C2(CCCCC2)[C@@H]2CCCC[C@@H]2N3)cc1 ZINC000013369870 564136313 /nfs/dbraw/zinc/13/63/13/564136313.db2.gz LPCLDWPDRLHRID-MSOLQXFVSA-N 0 0 336.483 4.897 50 0 biogenic EJAARN Cc1nnc([C@H](C)N[C@@H](C)c2ccc(Oc3ccccc3)c(F)c2)o1 ZINC000079029694 564137665 /nfs/dbraw/zinc/13/76/65/564137665.db2.gz YTXZRSFELDYRJF-STQMWFEESA-N 0 0 341.386 4.721 50 0 EJAARN COc1ccsc1C(=O)Nc1nc(-c2ccc(F)c(C)c2)cs1 ZINC000079060162 564137786 /nfs/dbraw/zinc/13/77/86/564137786.db2.gz FPWRREMTGWGHTP-UHFFFAOYSA-N 0 0 348.424 4.580 50 0 EJAARN O=C(CCc1cccc(F)c1)N1C[C@H]2CCCC[C@]21c1ccccc1 ZINC000079103425 564137918 /nfs/dbraw/zinc/13/79/18/564137918.db2.gz IDKSESRUUSBINI-KNQAVFIVSA-N 0 0 337.438 4.686 50 0 EJAARN CSc1ccccc1C(=O)NCCc1ccc(-c2ccoc2)s1 ZINC000390831750 564138684 /nfs/dbraw/zinc/13/86/84/564138684.db2.gz UPAIVFKVUJFHIU-UHFFFAOYSA-N 0 0 343.473 4.703 50 0 EJAARN COc1ccccc1[C@@H](C)N(C)C(=O)[C@H](C)c1ccc(Cl)s1 ZINC000095964096 564142865 /nfs/dbraw/zinc/14/28/65/564142865.db2.gz QIXFDTLMTNBCRE-VXGBXAGGSA-N 0 0 337.872 4.733 50 0 EJAARN CC(C)c1sc(Cl)nc1C(=O)N1CCC(c2ccccc2)CC1 ZINC000095473263 564141317 /nfs/dbraw/zinc/14/13/17/564141317.db2.gz HRYUBPMABQWPOD-UHFFFAOYSA-N 0 0 348.899 4.940 50 0 EJAARN Cc1ccncc1CNc1cccc(C[S@](=O)C2CCCCC2)c1 ZINC000280157617 564141732 /nfs/dbraw/zinc/14/17/32/564141732.db2.gz GBSJRDGUOUPOCJ-DEOSSOPVSA-N 0 0 342.508 4.584 50 0 EJAARN CCCCCc1ccc([C@H](CC)N[C@H](C)c2nnc3n2CCC3)cc1 ZINC000095940746 564141994 /nfs/dbraw/zinc/14/19/94/564141994.db2.gz GNKRTYNTCIBSJZ-APWZRJJASA-N 0 0 340.515 4.759 50 0 EJAARN Cc1oc(-c2ccccc2)nc1C[S@@](=O)c1cccc(Cl)c1 ZINC000095953344 564142393 /nfs/dbraw/zinc/14/23/93/564142393.db2.gz SSJDUDVONKSOSN-QFIPXVFZSA-N 0 0 331.824 4.611 50 0 EJAARN C[C@@H](c1ccc(Cl)c(Cl)c1)S(=O)(=O)Cc1cccc(F)c1 ZINC000095962038 564142754 /nfs/dbraw/zinc/14/27/54/564142754.db2.gz RFYJMRLEFFGRHE-JTQLQIEISA-N 0 0 347.238 4.809 50 0 EJAARN Cc1cnc([C@@H](C)N[C@H](C)c2ccc(F)cc2OC(F)F)s1 ZINC000095969009 564143318 /nfs/dbraw/zinc/14/33/18/564143318.db2.gz VULRKBJRUJEOHP-NXEZZACHSA-N 0 0 330.375 4.604 50 0 EJAARN O=C(C1CCCC1)N(c1ccccc1)c1ncccc1Br ZINC000095974953 564143524 /nfs/dbraw/zinc/14/35/24/564143524.db2.gz AHWZTIIWCDICGQ-UHFFFAOYSA-N 0 0 345.240 4.699 50 0 EJAARN COC[C@@](C)(NCc1csc(-c2ccsc2)n1)c1ccccc1 ZINC000095985806 564143919 /nfs/dbraw/zinc/14/39/19/564143919.db2.gz AVWBGKKSLINIIQ-GOSISDBHSA-N 0 0 344.505 4.523 50 0 EJAARN CC[C@@H](C)Sc1ccc(NC(=O)N[C@@H](C)c2ccon2)c(C)c1 ZINC000096004122 564144509 /nfs/dbraw/zinc/14/45/09/564144509.db2.gz QIWBKQIXOWNPLG-OLZOCXBDSA-N 0 0 333.457 4.756 50 0 EJAARN CCCCOC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCCCC1 ZINC000096026442 564144924 /nfs/dbraw/zinc/14/49/24/564144924.db2.gz TUBRAMWZHKDSJN-INIZCTEOSA-N 0 0 344.282 4.864 50 0 EJAARN C[C@@H](NC(=O)c1ccc(Oc2ccccc2Cl)o1)c1ccncc1 ZINC000096183822 564145901 /nfs/dbraw/zinc/14/59/01/564145901.db2.gz OHMGGFNKCZIPLB-GFCCVEGCSA-N 0 0 342.782 4.611 50 0 EJAARN COc1ccc2cc(/C=C\C(=O)N[C@@H](C)c3cccs3)ccc2c1 ZINC000096248574 564146124 /nfs/dbraw/zinc/14/61/24/564146124.db2.gz IGRQZYZRTFOHSI-APFBBLRHSA-N 0 0 337.444 4.801 50 0 EJAARN CC[C@H](C)[C@H](NC(=O)CC(C)(C)C)c1nc(-c2ccc(C)cc2)no1 ZINC000096278320 564146346 /nfs/dbraw/zinc/14/63/46/564146346.db2.gz LAFMTBCWIPKGBS-YOEHRIQHSA-N 0 0 343.471 4.685 50 0 EJAARN O=C(/C=C\c1cccc2cccnc12)N1CCC[C@H]1c1ccc(F)cc1 ZINC000096291397 564146413 /nfs/dbraw/zinc/14/64/13/564146413.db2.gz LSGJKFAOSYEAIS-IMTHGLKYSA-N 0 0 346.405 4.751 50 0 EJAARN CN(C(=O)/C=C\c1cscn1)c1ccc(Oc2ccccc2)cc1 ZINC000096402554 564147126 /nfs/dbraw/zinc/14/71/26/564147126.db2.gz NUUIRPMSROEEGB-GHXNOFRVSA-N 0 0 336.416 4.612 50 0 EJAARN Cc1oc(-c2cccs2)nc1C[S@@](=O)[C@H](C)c1ccccc1F ZINC000096404317 564147261 /nfs/dbraw/zinc/14/72/61/564147261.db2.gz UMPMLQLGIQYYLN-SPSFWMDKSA-N 0 0 349.452 4.861 50 0 EJAARN CCO[C@@H](C)c1nc(C(=O)N(CC)c2cc(C)ccc2C)cs1 ZINC000096416408 564147759 /nfs/dbraw/zinc/14/77/59/564147759.db2.gz JLTKIAJZWNAHSV-AWEZNQCLSA-N 0 0 332.469 4.524 50 0 EJAARN CC[C@H](c1ccncc1)N(CC)C(=O)Nc1cccc([C@H](C)OC)c1 ZINC000096418046 564147870 /nfs/dbraw/zinc/14/78/70/564147870.db2.gz JRWNWMOSDHVJGI-HNAYVOBHSA-N 0 0 341.455 4.794 50 0 EJAARN Cc1cccc(C(=O)N2N=C(c3ccco3)C[C@H]2c2cccc(C)c2)c1 ZINC000097165200 564149508 /nfs/dbraw/zinc/14/95/08/564149508.db2.gz JENRKARROLJRBH-FQEVSTJZSA-N 0 0 344.414 4.888 50 0 EJAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(Cl)cc1F ZINC000027976911 564149828 /nfs/dbraw/zinc/14/98/28/564149828.db2.gz QAHSJEQLUFEADO-UHFFFAOYSA-N 0 0 343.789 4.534 50 0 EJAARN Cc1ccc(NC(=O)NCc2ccnc(-c3cccs3)c2)cc1C ZINC000225652583 564150144 /nfs/dbraw/zinc/15/01/44/564150144.db2.gz XJWOBMUFWZPOQA-UHFFFAOYSA-N 0 0 337.448 4.749 50 0 EJAARN COc1ccc(SCc2noc(-c3ccc(Cl)cc3)n2)cc1 ZINC000028189032 564150621 /nfs/dbraw/zinc/15/06/21/564150621.db2.gz XNCYNNHTXUGFER-UHFFFAOYSA-N 0 0 332.812 4.691 50 0 EJAARN COc1ccc(Cl)cc1NC(=O)COc1ccc(C(C)C)c(C)c1 ZINC000002622536 564151240 /nfs/dbraw/zinc/15/12/40/564151240.db2.gz ZAZPGCZACUVBKB-UHFFFAOYSA-N 0 0 347.842 4.798 50 0 EJAARN O=C(CSc1ccc(Cl)cc1)Nc1ncc(Cl)cc1Cl ZINC000002622893 564151261 /nfs/dbraw/zinc/15/12/61/564151261.db2.gz JQXYBFDMSVONAP-UHFFFAOYSA-N 0 0 347.654 4.773 50 0 EJAARN O=C(CSc1cc(Cl)ccc1Cl)Nc1ccc(Cl)cn1 ZINC000002626173 564151325 /nfs/dbraw/zinc/15/13/25/564151325.db2.gz VTFNZYIRDLYCMG-UHFFFAOYSA-N 0 0 347.654 4.773 50 0 EJAARN O=C(Nc1ccc(SC(F)F)cc1)c1cnc(Cl)c(Cl)c1 ZINC000002632363 564151502 /nfs/dbraw/zinc/15/15/02/564151502.db2.gz BGPZCFIHBWELPK-UHFFFAOYSA-N 0 0 349.189 4.955 50 0 EJAARN Cc1cc(C)c(C(=O)CSc2nnc(-c3cccs3)o2)cc1C ZINC000002634080 564151540 /nfs/dbraw/zinc/15/15/40/564151540.db2.gz PAJITFYVIKTJCJ-UHFFFAOYSA-N 0 0 344.461 4.698 50 0 EJAARN CC(C)c1ccc(OCc2ccc(C(=O)N3CCC[C@H](C)C3)o2)cc1 ZINC000028576364 564151633 /nfs/dbraw/zinc/15/16/33/564151633.db2.gz IYRLIPJJIXQWOI-INIZCTEOSA-N 0 0 341.451 4.854 50 0 EJAARN O=C(COC(=O)c1c(F)cccc1Cl)c1ccc2ccccc2c1 ZINC000002643430 564151719 /nfs/dbraw/zinc/15/17/19/564151719.db2.gz OJWKUQXDIFZCRG-UHFFFAOYSA-N 0 0 342.753 4.672 50 0 EJAARN CCC(C)(C)c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000002648822 564151877 /nfs/dbraw/zinc/15/18/77/564151877.db2.gz IMOWDTMKANPATL-INIZCTEOSA-N 0 0 325.452 4.630 50 0 EJAARN CCC(C)(C)NC(=O)c1ccccc1OCc1ccc(Cl)cc1 ZINC000002651996 564151889 /nfs/dbraw/zinc/15/18/89/564151889.db2.gz LMNOXGHNYHTFMV-UHFFFAOYSA-N 0 0 331.843 4.837 50 0 EJAARN CCCCn1c2ccccc2nc1[C@@H](C)NC(=O)c1cccc(C)c1 ZINC000002721307 564152239 /nfs/dbraw/zinc/15/22/39/564152239.db2.gz JADVDUYRLDILJT-MRXNPFEDSA-N 0 0 335.451 4.636 50 0 EJAARN CC1CCN(C(=O)c2ccc(COc3ccccc3Cl)cc2)CC1 ZINC000002750312 564152439 /nfs/dbraw/zinc/15/24/39/564152439.db2.gz ULTUFHHFOVZGQY-UHFFFAOYSA-N 0 0 343.854 4.791 50 0 EJAARN O=C(c1ccc(COc2ccc3ccccc3c2)o1)N1CCCCC1 ZINC000002753197 564152455 /nfs/dbraw/zinc/15/24/55/564152455.db2.gz JCCXUSIIDHFTRQ-UHFFFAOYSA-N 0 0 335.403 4.638 50 0 EJAARN Cc1ccc([C@@H]2C[C@H](c3cccc(Cl)c3)n3ncnc3N2)cc1C ZINC000002919590 564153050 /nfs/dbraw/zinc/15/30/50/564153050.db2.gz JGQKRLCBLLUPJI-ZWKOTPCHSA-N 0 0 338.842 4.695 50 0 EJAARN C[C@H](NC(=O)c1cccnc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000029097260 564153145 /nfs/dbraw/zinc/15/31/45/564153145.db2.gz PVCKQBHSCLUICL-AWEZNQCLSA-N 0 0 336.822 4.893 50 0 EJAARN C[C@H]1CCCC[C@H]1NC(=O)CCSCc1cccc(Cl)c1 ZINC000002953831 564153770 /nfs/dbraw/zinc/15/37/70/564153770.db2.gz DSJJDQLEEJURQD-XJKSGUPXSA-N 0 0 325.905 4.658 50 0 EJAARN Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1C ZINC000057412049 564154022 /nfs/dbraw/zinc/15/40/22/564154022.db2.gz IKLYNFRZHOEUCR-UHFFFAOYSA-N 0 0 325.799 4.599 50 0 EJAARN Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1Cl ZINC000057412144 564154038 /nfs/dbraw/zinc/15/40/38/564154038.db2.gz KGUMBEMUTLFSEL-UHFFFAOYSA-N 0 0 346.217 4.944 50 0 EJAARN Cc1c(Cl)cccc1NC(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000057412356 564154060 /nfs/dbraw/zinc/15/40/60/564154060.db2.gz XWVMHYXJGUXXFV-UHFFFAOYSA-N 0 0 346.217 4.944 50 0 EJAARN Cc1cccc(Cl)c1NC(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000057412364 564154066 /nfs/dbraw/zinc/15/40/66/564154066.db2.gz LIOVFJIRWRBQOP-UHFFFAOYSA-N 0 0 346.217 4.944 50 0 EJAARN CCc1cccc(NC(=S)N(CCOC)[C@H](C)c2cccs2)c1 ZINC000003025977 564154488 /nfs/dbraw/zinc/15/44/88/564154488.db2.gz XALVULKHSFVORB-CQSZACIVSA-N 0 0 348.537 4.717 50 0 EJAARN CCOC(=O)N[C@@H]1Cc2ccccc2[C@@H]1Sc1ccc(Cl)cc1 ZINC000003047691 564154692 /nfs/dbraw/zinc/15/46/92/564154692.db2.gz NVJOKZZYFMPHNR-SJORKVTESA-N 0 0 347.867 4.844 50 0 EJAARN Clc1cccc(COn2c3ccccc3nc2-c2ccccc2)c1 ZINC000003052828 564154763 /nfs/dbraw/zinc/15/47/63/564154763.db2.gz NNAYLHAHAZUFOC-UHFFFAOYSA-N 0 0 334.806 4.986 50 0 EJAARN O=C(c1ccccc1)C1=C(c2ccccc2)COc2ccccc2O1 ZINC000003138789 564155428 /nfs/dbraw/zinc/15/54/28/564155428.db2.gz DFHGQWDTWMIVQP-JOCHJYFZSA-N 0 0 328.367 4.750 50 0 EJAARN C[C@@H](NC(=O)COc1ccc(Oc2ccccc2)cc1)c1ccccc1 ZINC000003165382 564155587 /nfs/dbraw/zinc/15/55/87/564155587.db2.gz XXKNCSXHNRGEES-QGZVFWFLSA-N 0 0 347.414 4.735 50 0 EJAARN O=C(NCc1ccco1)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000057769079 564155746 /nfs/dbraw/zinc/15/57/46/564155746.db2.gz YAHVYKFYCOQZCE-UHFFFAOYSA-N 0 0 349.415 4.878 50 0 EJAARN Cc1cc(C(C)(C)C)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000003183685 564155772 /nfs/dbraw/zinc/15/57/72/564155772.db2.gz JUTOTWBHODVKDL-UHFFFAOYSA-N 0 0 331.843 4.963 50 0 EJAARN O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccccc1 ZINC000003185886 564155779 /nfs/dbraw/zinc/15/57/79/564155779.db2.gz AYVLYDAJDALPHK-UHFFFAOYSA-N 0 0 339.398 4.792 50 0 in-vivo EJAARN CCCCCCOC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000003196375 564155869 /nfs/dbraw/zinc/15/58/69/564155869.db2.gz PABVXLFIUATQJW-UHFFFAOYSA-N 0 0 343.398 4.815 50 0 EJAARN C[C@@H](Cc1cccs1)NC(=O)c1cccc(Oc2ccccc2)c1 ZINC000003211548 564156002 /nfs/dbraw/zinc/15/60/02/564156002.db2.gz DGHUTUBPJDEDLQ-HNNXBMFYSA-N 0 0 337.444 4.901 50 0 EJAARN c1nc2n(n1)[C@H](c1cccc3ccccc31)C[C@H](c1ccccc1)N2 ZINC000003215839 564156083 /nfs/dbraw/zinc/15/60/83/564156083.db2.gz IWWVHBLLICZEHD-UXHICEINSA-N 0 0 326.403 4.578 50 0 EJAARN CC(=O)c1cccc(NC(=O)c2cccc(Oc3ccccc3)c2)c1 ZINC000003216022 564156095 /nfs/dbraw/zinc/15/60/95/564156095.db2.gz NVPQDUQXLPTWLS-UHFFFAOYSA-N 0 0 331.371 4.934 50 0 EJAARN O=C(NCCc1ccccc1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000003235380 564156396 /nfs/dbraw/zinc/15/63/96/564156396.db2.gz CDEADXCMTHZJOK-UHFFFAOYSA-N 0 0 327.855 4.511 50 0 EJAARN COc1ccccc1CN(Cc1cccs1)C(=O)c1ccc(C)o1 ZINC000030476784 564156529 /nfs/dbraw/zinc/15/65/29/564156529.db2.gz QPOHVAAVODWNBT-UHFFFAOYSA-N 0 0 341.432 4.501 50 0 EJAARN S=c1oc2ccc(Cl)cc2n1CN1CCc2ccccc2C1 ZINC000003258483 564156697 /nfs/dbraw/zinc/15/66/97/564156697.db2.gz MLNFHWXGNJTBRZ-UHFFFAOYSA-N 0 0 330.840 4.633 50 0 EJAARN COc1ccc(NC(=O)Nc2ccc3nc(SC)sc3c2)cc1 ZINC000003264653 564156749 /nfs/dbraw/zinc/15/67/49/564156749.db2.gz HNNPEPFMNAROOK-UHFFFAOYSA-N 0 0 345.449 4.671 50 0 EJAARN Cc1nc(-c2ccc(C)cc2)c(C2=C(c3ccccc3)COC2=O)s1 ZINC000003287299 564156961 /nfs/dbraw/zinc/15/69/61/564156961.db2.gz OFZIZVHEAXVOPA-UHFFFAOYSA-N 0 0 347.439 4.895 50 0 EJAARN O=C(Nc1ccc2c(c1)CCC2)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000003286811 564156966 /nfs/dbraw/zinc/15/69/66/564156966.db2.gz DPDVQXNLUHGUJK-UHFFFAOYSA-N 0 0 330.431 4.788 50 0 EJAARN CCOc1ccc(NC(=O)N(CC)Cc2ccc(Cl)s2)cc1 ZINC000057992822 564157033 /nfs/dbraw/zinc/15/70/33/564157033.db2.gz PVKSZUFUMVDFGS-UHFFFAOYSA-N 0 0 338.860 4.854 50 0 EJAARN CC1CCN([C@H](C(=O)NC2CCCCC2)c2ccc(Cl)cc2)CC1 ZINC000058012682 564157193 /nfs/dbraw/zinc/15/71/93/564157193.db2.gz JSSDUTBKRSCJAU-IBGZPJMESA-N 0 0 348.918 4.562 50 0 EJAARN O=C(c1ccccc1OCc1c(F)cccc1Cl)N1CCCCC1 ZINC000003344838 564157514 /nfs/dbraw/zinc/15/75/14/564157514.db2.gz BHPXKVYSHJLWJU-UHFFFAOYSA-N 0 0 347.817 4.684 50 0 EJAARN O=C(OCc1nc2ccccc2s1)c1cccc(C(F)(F)F)c1 ZINC000003360108 564157677 /nfs/dbraw/zinc/15/76/77/564157677.db2.gz BSUTTYKYLZFFCG-UHFFFAOYSA-N 0 0 337.322 4.672 50 0 EJAARN Cc1ccc(CNC(=O)CCC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000003444272 564158158 /nfs/dbraw/zinc/15/81/58/564158158.db2.gz BJSQEVDCWILOCE-UHFFFAOYSA-N 0 0 337.463 4.572 50 0 EJAARN O=C(Cc1ccccc1Cl)Nc1nc(-c2ccccc2)cs1 ZINC000003480798 564158385 /nfs/dbraw/zinc/15/83/85/564158385.db2.gz FXOWNBBUJMTEQY-UHFFFAOYSA-N 0 0 328.824 4.645 50 0 EJAARN COc1ccc(Cl)cc1NCC(=O)Nc1cccc2ccccc21 ZINC000003487016 564158410 /nfs/dbraw/zinc/15/84/10/564158410.db2.gz BHBGJYUIUKRIPI-UHFFFAOYSA-N 0 0 340.810 4.552 50 0 EJAARN COc1cc(Cl)c(C)cc1NC(=O)CSc1ccc(F)cc1 ZINC000003492386 564158458 /nfs/dbraw/zinc/15/84/58/564158458.db2.gz SNLLUKXWLZJMCN-UHFFFAOYSA-N 0 0 339.819 4.527 50 0 EJAARN COc1ccc2oc(C(=O)Nc3ccc(OC)c(Cl)c3)c(C)c2c1 ZINC000003517156 564158647 /nfs/dbraw/zinc/15/86/47/564158647.db2.gz VSJASTANCKQMCR-UHFFFAOYSA-N 0 0 345.782 4.664 50 0 EJAARN Cc1sc2ncnc(SCC(=O)c3cc(C)ccc3C)c2c1C ZINC000003527607 564158751 /nfs/dbraw/zinc/15/87/51/564158751.db2.gz FSFVREKINJAGDP-UHFFFAOYSA-N 0 0 342.489 4.900 50 0 EJAARN Cc1ccc(NC(=O)Cc2cccc3ccccc32)c2cccnc12 ZINC000031091670 564158759 /nfs/dbraw/zinc/15/87/59/564158759.db2.gz PBPNVIBANOUWNR-UHFFFAOYSA-N 0 0 326.399 4.878 50 0 EJAARN CCn1c2ccccc2c2cc(NC(=O)COC3CCCC3)ccc21 ZINC000058394095 564158988 /nfs/dbraw/zinc/15/89/88/564158988.db2.gz FNAWANWORLCUDK-UHFFFAOYSA-N 0 0 336.435 4.712 50 0 EJAARN Cc1ccc(NC(=O)CSCc2csc(-c3ccco3)n2)cc1 ZINC000031420306 564159384 /nfs/dbraw/zinc/15/93/84/564159384.db2.gz MUKLVVSJZRRABT-UHFFFAOYSA-N 0 0 344.461 4.583 50 0 EJAARN CCC(=O)Nc1ccc2[nH]c(-c3ccc(Cl)cc3Cl)nc2c1 ZINC000003832992 564159444 /nfs/dbraw/zinc/15/94/44/564159444.db2.gz ODAGDJRNTYZRDK-UHFFFAOYSA-N 0 0 334.206 4.885 50 0 EJAARN CC(C)Oc1ccccc1[C@@H]1CC(=O)Nc2c1ncn2-c1ccccc1 ZINC000031820086 564159964 /nfs/dbraw/zinc/15/99/64/564159964.db2.gz LAVQJLNCYIEYKQ-KRWDZBQOSA-N 0 0 347.418 4.783 50 0 EJAARN Cc1noc(C)c1-c1cc(-c2ccccc2Cl)nc(C2CC2)n1 ZINC000670456102 564159991 /nfs/dbraw/zinc/15/99/91/564159991.db2.gz BONGKNZAOXOSJV-UHFFFAOYSA-N 0 0 325.799 4.946 50 0 EJAARN Cc1cccc(N2C[C@@H](c3nc4ccccc4n3C(C)C)CC2=O)c1C ZINC000004033386 564160146 /nfs/dbraw/zinc/16/01/46/564160146.db2.gz DHFNSUBLNUKUAM-KRWDZBQOSA-N 0 0 347.462 4.755 50 0 EJAARN CCc1ccc(N2C[C@@H](c3nc4ccccc4n3C(C)C)CC2=O)cc1 ZINC000004033274 564160172 /nfs/dbraw/zinc/16/01/72/564160172.db2.gz LWAHWRYZQQKHCM-KRWDZBQOSA-N 0 0 347.462 4.700 50 0 EJAARN COC1(OC)CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@@H]3CC[C@H]2C1 ZINC000004041979 564160211 /nfs/dbraw/zinc/16/02/11/564160211.db2.gz LLKUOQXUUFDONQ-VEXWFWOFSA-N 0 0 334.500 4.587 50 0 biogenic EJAARN COCC(=O)Nc1ccc(-c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000031982500 564160359 /nfs/dbraw/zinc/16/03/59/564160359.db2.gz DJDVBAXUKPIQDR-UHFFFAOYSA-N 0 0 331.843 4.889 50 0 EJAARN Cc1ccc(Cl)cc1NC(=O)CCCc1nc2ccccc2o1 ZINC000032034329 564160535 /nfs/dbraw/zinc/16/05/35/564160535.db2.gz YZEIXDWZJQGMJH-UHFFFAOYSA-N 0 0 328.799 4.751 50 0 EJAARN COc1ccccc1Nc1nc2ccccc2c(NCc2ccco2)n1 ZINC000004123286 564160810 /nfs/dbraw/zinc/16/08/10/564160810.db2.gz NKJWOURFUGCZPL-UHFFFAOYSA-N 0 0 346.390 4.587 50 0 EJAARN O=C(Nc1cccc(-c2nc3cnccc3o2)c1)c1ccc(Cl)cc1 ZINC000032105148 564160822 /nfs/dbraw/zinc/16/08/22/564160822.db2.gz PBFWJKXKGIILDD-UHFFFAOYSA-N 0 0 349.777 4.796 50 0 EJAARN CC(=O)Nc1ccc(C=C2c3ccccc3C(=O)c3ccccc32)cc1 ZINC000059402890 564161207 /nfs/dbraw/zinc/16/12/07/564161207.db2.gz ANAHFJQEIVGGLP-UHFFFAOYSA-N 0 0 339.394 4.778 50 0 EJAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc2cc[nH]c2c1 ZINC000032343098 564161232 /nfs/dbraw/zinc/16/12/32/564161232.db2.gz AHRANLXFTYEHAJ-LBPRGKRZSA-N 0 0 335.432 4.611 50 0 EJAARN Cc1ccc(C2=NN(C(=O)c3cccc(C)c3)[C@H](c3ccco3)C2)cc1 ZINC000004306631 564161590 /nfs/dbraw/zinc/16/15/90/564161590.db2.gz XRZKWLCRJCUPJE-FQEVSTJZSA-N 0 0 344.414 4.888 50 0 EJAARN CCc1cccc(C)c1NC(=O)c1ccc(-n2nc(C)cc2C)cc1 ZINC000007979432 564161677 /nfs/dbraw/zinc/16/16/77/564161677.db2.gz BWTIKHVWAYCIFU-UHFFFAOYSA-N 0 0 333.435 4.612 50 0 EJAARN CCc1cc2c(ncnc2SCCOc2ccccc2F)s1 ZINC000007980878 564161686 /nfs/dbraw/zinc/16/16/86/564161686.db2.gz CTTFJJULEMKMSR-UHFFFAOYSA-N 0 0 334.441 4.564 50 0 EJAARN O=C(CCc1ccc(-c2ccccc2)o1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000007980267 564161695 /nfs/dbraw/zinc/16/16/95/564161695.db2.gz LZIRJKRXAAUVDB-IEBWSBKVSA-N 0 0 337.463 4.918 50 0 EJAARN O=C([O-])C1CCC([NH2+][C@H](CC2CCCCC2)c2ccccc2)CC1 ZINC000263450909 564162227 /nfs/dbraw/zinc/16/22/27/564162227.db2.gz ZNLWXAOFGMBWQC-SOAGJPPSSA-N 0 0 329.484 4.931 50 0 EJAARN C[C@H](NC(=O)c1ccc(Br)cc1)c1cc2ccccc2o1 ZINC000008062415 564162456 /nfs/dbraw/zinc/16/24/56/564162456.db2.gz JVVGHRMLTQDULH-NSHDSACASA-N 0 0 344.208 4.686 50 0 EJAARN c1cc2c(ncnc2N2CCC[C@H]2c2nc3ccccc3s2)s1 ZINC000008063178 564162475 /nfs/dbraw/zinc/16/24/75/564162475.db2.gz WZFHHHDBXCNMCS-ZDUSSCGKSA-N 0 0 338.461 4.643 50 0 EJAARN CCc1ccc(NC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2C)cc1 ZINC000008075897 564162563 /nfs/dbraw/zinc/16/25/63/564162563.db2.gz BZMAONIKBKPGBQ-UHFFFAOYSA-N 0 0 347.462 4.671 50 0 EJAARN CCOc1ccccc1Oc1nc(-c2cccnc2)nc2ccccc21 ZINC000008119692 564162820 /nfs/dbraw/zinc/16/28/20/564162820.db2.gz FGFQFZBBKQYEMQ-UHFFFAOYSA-N 0 0 343.386 4.883 50 0 EJAARN Cc1ccc(C)c(NC(=O)CN(C)Cc2ccc3ccccc3c2)c1 ZINC000008127453 564162970 /nfs/dbraw/zinc/16/29/70/564162970.db2.gz PAKDBONCVFNSNS-UHFFFAOYSA-N 0 0 332.447 4.527 50 0 EJAARN Cc1nc2cc(NC(=O)CCc3ccc(-c4ccccc4)o3)ccc2o1 ZINC000008132084 564163022 /nfs/dbraw/zinc/16/30/22/564163022.db2.gz ZKAPFBKCNLAAFR-UHFFFAOYSA-N 0 0 346.386 4.968 50 0 EJAARN C[C@H](CNC(=O)c1ccc(C2SCCS2)cc1)c1ccccc1 ZINC000008167696 564163278 /nfs/dbraw/zinc/16/32/78/564163278.db2.gz VKGSMQLBNZUURS-CQSZACIVSA-N 0 0 343.517 4.699 50 0 EJAARN CC[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC)cc2)N3)C1 ZINC000008198738 564163502 /nfs/dbraw/zinc/16/35/02/564163502.db2.gz NWAOKCROQCMFIR-APPDUMDISA-N 0 0 342.464 4.701 50 0 EJAARN C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000008243290 564163802 /nfs/dbraw/zinc/16/38/02/564163802.db2.gz NWEQMMPONQXHHZ-SECBINFHSA-N 0 0 328.170 4.539 50 0 EJAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cc2c(s1)CCC2 ZINC000008279861 564164005 /nfs/dbraw/zinc/16/40/05/564164005.db2.gz ILPRARPHRXIIEQ-LLVKDONJSA-N 0 0 342.489 4.680 50 0 EJAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc2ccccc2n1 ZINC000008279127 564164022 /nfs/dbraw/zinc/16/40/22/564164022.db2.gz GRXPACURQDDLPC-ZDUSSCGKSA-N 0 0 347.443 4.678 50 0 EJAARN CCCC(=O)Nc1ccc(-c2csc(-c3ccc(O)cc3)n2)cc1 ZINC000008297644 564164082 /nfs/dbraw/zinc/16/40/82/564164082.db2.gz XUSFVUYDBBMFMQ-UHFFFAOYSA-N 0 0 338.432 4.921 50 0 EJAARN O=C(c1ccccc1F)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000008326327 564164453 /nfs/dbraw/zinc/16/44/53/564164453.db2.gz QRVGMQMCQDCBBP-LJQANCHMSA-N 0 0 337.419 4.675 50 0 EJAARN Cc1cc2oc(=O)cc(CSC3=NCCS3)c2cc1C(C)C ZINC000008329337 564164495 /nfs/dbraw/zinc/16/44/95/564164495.db2.gz UBHPPSGHNVYCRW-UHFFFAOYSA-N 0 0 333.478 4.561 50 0 EJAARN CCc1ccc(-c2noc(CN3CCC[C@@H]3c3cccs3)n2)cc1 ZINC000008389181 564164852 /nfs/dbraw/zinc/16/48/52/564164852.db2.gz LERJZHCPQJFMJX-MRXNPFEDSA-N 0 0 339.464 4.698 50 0 EJAARN O=C(Nc1cc(Cl)ccc1N1CCCC1)c1cc2ccccc2o1 ZINC000008395337 564165087 /nfs/dbraw/zinc/16/50/87/564165087.db2.gz PDIOOMQNTJAHNV-UHFFFAOYSA-N 0 0 340.810 4.939 50 0 EJAARN O=C1Cc2cc(-c3csc(-c4ccc(Cl)cc4)n3)ccc2N1 ZINC000008394863 564165102 /nfs/dbraw/zinc/16/51/02/564165102.db2.gz XVJDRHVJLWYKEL-UHFFFAOYSA-N 0 0 326.808 4.625 50 0 EJAARN Clc1cccc(-n2ncc3c2ncnc3NC2CCCCCC2)c1 ZINC000008583075 564165823 /nfs/dbraw/zinc/16/58/23/564165823.db2.gz VGUMJPMMFUXSEX-UHFFFAOYSA-N 0 0 341.846 4.604 50 0 EJAARN COc1ccc(N(Cc2cccs2)C(=O)c2ccccc2C)cc1 ZINC000008586669 564165887 /nfs/dbraw/zinc/16/58/87/564165887.db2.gz HYKAFVJOBNNYPW-UHFFFAOYSA-N 0 0 337.444 4.912 50 0 EJAARN Cc1cc(C)n(-c2nnc(Nc3cc(C)cc(C)c3)c3ccccc32)n1 ZINC000008594558 564165933 /nfs/dbraw/zinc/16/59/33/564165933.db2.gz DFUVDMCEAHCAOW-UHFFFAOYSA-N 0 0 343.434 4.793 50 0 EJAARN Cc1ccc2ccc3cc(C(=O)Nc4ccc(C)c(F)c4)[nH]c3c2n1 ZINC000008595539 564165951 /nfs/dbraw/zinc/16/59/51/564165951.db2.gz YQPGKRIICOVTHG-UHFFFAOYSA-N 0 0 333.366 4.724 50 0 aggregator EJAARN C[C@H]1C[C@H](C)CN(C(=S)Nc2ccc(SC(F)F)cc2)C1 ZINC000008692224 564166395 /nfs/dbraw/zinc/16/63/95/564166395.db2.gz VFQMVPUYWSZTNA-QWRGUYRKSA-N 0 0 330.469 4.676 50 0 EJAARN Cc1ccc(NC(=O)[C@H](Sc2ccccn2)c2ccccc2)cc1 ZINC000008705204 564166421 /nfs/dbraw/zinc/16/64/21/564166421.db2.gz UJAVGWONIKDEOS-LJQANCHMSA-N 0 0 334.444 4.862 50 0 EJAARN O=C(Nc1ccc(Cl)cc1Cl)c1nc(Cl)ccc1Cl ZINC000008707038 564166506 /nfs/dbraw/zinc/16/65/06/564166506.db2.gz DGPYTCMBRDKRQD-UHFFFAOYSA-N 0 0 336.005 4.948 50 0 EJAARN Cc1cccc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)c1 ZINC000008724868 564166976 /nfs/dbraw/zinc/16/69/76/564166976.db2.gz BJBMXRDFPOFVQA-UHFFFAOYSA-N 0 0 340.810 4.875 50 0 EJAARN O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc(Cl)cc1 ZINC000008728744 564167066 /nfs/dbraw/zinc/16/70/66/564167066.db2.gz MZKNPNBWQPSOHI-UHFFFAOYSA-N 0 0 344.773 4.705 50 0 EJAARN CSc1cccc(NC(=O)c2occc2COc2ccccc2)c1 ZINC000008749129 564167231 /nfs/dbraw/zinc/16/72/31/564167231.db2.gz CUHRJSAAYMXSPD-UHFFFAOYSA-N 0 0 339.416 4.833 50 0 EJAARN CCCc1cc(Nc2cccc(C)c2)n2nc3nc(C)cc(C)c3c2n1 ZINC000008843999 564167468 /nfs/dbraw/zinc/16/74/68/564167468.db2.gz ZJSWVKVFQHXZFV-UHFFFAOYSA-N 0 0 345.450 4.899 50 0 EJAARN COc1ccc(NC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1Cl ZINC000040098694 564167998 /nfs/dbraw/zinc/16/79/98/564167998.db2.gz LDKHPYXBNGEPAA-NSHDSACASA-N 0 0 336.794 4.713 50 0 EJAARN c1coc([C@H]2C=C(c3ccc(-c4ccccc4)cc3)Nc3nnnn32)c1 ZINC000008970238 564168337 /nfs/dbraw/zinc/16/83/37/564168337.db2.gz 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/nfs/dbraw/zinc/17/16/81/564171681.db2.gz ISYQKHNLURSUMS-UHFFFAOYSA-N 0 0 337.379 4.546 50 0 EJAARN COc1ccc(C)cc1C[S@@](=O)Cc1csc(C2CCCC2)n1 ZINC000069845320 564172476 /nfs/dbraw/zinc/17/24/76/564172476.db2.gz JQXIOIFKCFLLAW-QHCPKHFHSA-N 0 0 349.521 4.567 50 0 EJAARN O=C(Nc1ccccc1SC(F)F)c1ccc(Br)o1 ZINC000009314024 564172517 /nfs/dbraw/zinc/17/25/17/564172517.db2.gz NHQXMRQUWFNOGS-UHFFFAOYSA-N 0 0 348.168 4.609 50 0 EJAARN O=C(COc1ccccc1)Nc1ccc2c(c1)ncn2C1CCCCC1 ZINC000009356223 564172935 /nfs/dbraw/zinc/17/29/35/564172935.db2.gz SNJAFQIDNBXMOS-UHFFFAOYSA-N 0 0 349.434 4.559 50 0 EJAARN Cc1ccc2c(c1)CCCN2[C@@H](C)c1nnc(-c2cccs2)o1 ZINC000009377710 564173184 /nfs/dbraw/zinc/17/31/84/564173184.db2.gz CXYJGWTVSQUDDA-ZDUSSCGKSA-N 0 0 325.437 4.620 50 0 EJAARN O=C(Nc1ccc2c(c1)CCCC(=O)N2)c1cccc(Cl)c1Cl ZINC000070007403 564173215 /nfs/dbraw/zinc/17/32/15/564173215.db2.gz OLQNWYIQYMIUDD-UHFFFAOYSA-N 0 0 349.217 4.521 50 0 EJAARN Cc1nc(-c2ccccc2)ccc1C(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000070039073 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/nfs/dbraw/zinc/39/49/65/214394965.db2.gz FKBVZVMCZGQRID-KRWDZBQOSA-N 0 0 328.774 4.509 50 0 EJAARN Cc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)cc1C ZINC000057412457 214426701 /nfs/dbraw/zinc/42/67/01/214426701.db2.gz LQUPOCABPXFHRD-UHFFFAOYSA-N 0 0 325.799 4.599 50 0 EJAARN Cc1ccc(NCn2nc(-c3ccccc3)oc2=S)cc1Cl ZINC000004670485 210242927 /nfs/dbraw/zinc/24/29/27/210242927.db2.gz ZMVKJDJZUDHCIW-UHFFFAOYSA-N 0 0 331.828 4.904 50 0 EJAARN C[C@@H](SC(c1ccccc1)c1ccccc1)C(=O)NC(C)(C)C ZINC000058017888 214472517 /nfs/dbraw/zinc/47/25/17/214472517.db2.gz PLKMMNCJGRKCRX-OAHLLOKOSA-N 0 0 327.493 4.812 50 0 EJAARN c1ccc(Cc2nnc3sc(-c4cccc5ccccc54)nn23)cc1 ZINC000004667783 210241428 /nfs/dbraw/zinc/24/14/28/210241428.db2.gz YICNPSJTBVXVMI-UHFFFAOYSA-N 0 0 342.427 4.597 50 0 EJAARN Cc1ccc(-c2nn3c(nnc3-c3cccc(Cl)c3)s2)cc1C ZINC000004664962 210241023 /nfs/dbraw/zinc/24/10/23/210241023.db2.gz PBGBXCQZNGXUBI-UHFFFAOYSA-N 0 0 340.839 4.790 50 0 EJAARN O=S(=O)(Oc1ccc2ccccc2c1)c1ccc2ccccc2c1 ZINC000004666861 210241084 /nfs/dbraw/zinc/24/10/84/210241084.db2.gz SLKHJUJSDBIQRZ-UHFFFAOYSA-N 0 0 334.396 4.761 50 0 EJAARN Cc1sc2ncnc(N[C@@H](c3ccccc3)[C@@H]3CCCO3)c2c1C ZINC000058217473 214508044 /nfs/dbraw/zinc/50/80/44/214508044.db2.gz YKHPUICBGUCOMG-RDJZCZTQSA-N 0 0 339.464 4.640 50 0 EJAARN Cc1ccc(C2=N/C(=C\C(Cl)=C\c3ccccc3)C(=O)O2)cc1C ZINC000004644489 210237164 /nfs/dbraw/zinc/23/71/64/210237164.db2.gz IQKYGQNWLWHASA-WHYMJUELSA-N 0 0 337.806 4.771 50 0 EJAARN Fc1ccc(-c2cnc(SCc3ccc4c(c3)OCCO4)o2)cc1 ZINC000058377615 214564582 /nfs/dbraw/zinc/56/45/82/214564582.db2.gz NTINISKXUCVEDV-UHFFFAOYSA-N 0 0 343.379 4.544 50 0 EJAARN CCC[C@@H](C(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C)c1ccccc1 ZINC000049649854 214024930 /nfs/dbraw/zinc/02/49/30/214024930.db2.gz QCEWAJPRXDIRDG-YLJYHZDGSA-N 0 0 349.478 4.960 50 0 EJAARN Cc1ccc(CN(C)C(=O)/C=C\c2ccc(-c3ccccc3F)o2)o1 ZINC000098042485 219073174 /nfs/dbraw/zinc/07/31/74/219073174.db2.gz CSXAKRAIWXQQQO-BENRWUELSA-N 0 0 339.366 4.659 50 0 EJAARN Cc1ccc(C(=O)COC(=O)C=Cc2cccc3ccccc23)s1 ZINC000098042526 219073683 /nfs/dbraw/zinc/07/36/83/219073683.db2.gz CBPVGYJWDHXCSX-BENRWUELSA-N 0 0 336.412 4.649 50 0 EJAARN Cc1cccc(-n2c(/C=C/c3ccccc3)nc3ccccc3c2=O)c1 ZINC000004599963 210230722 /nfs/dbraw/zinc/23/07/22/210230722.db2.gz PZPYMEIHNXSUTC-CCEZHUSRSA-N 0 0 338.410 4.865 50 0 EJAARN CCn1c2ccccc2nc1[C@@](O)(c1ccccc1)c1ccc(C)cc1 ZINC000004608206 210230814 /nfs/dbraw/zinc/23/08/14/210230814.db2.gz XZVPEFKOEJTHHP-HSZRJFAPSA-N 0 0 342.442 4.649 50 0 EJAARN Cc1cc(C)n2cc(CNc3ccccc3Cc3ccccc3)nc2n1 ZINC000098081054 219079990 /nfs/dbraw/zinc/07/99/90/219079990.db2.gz USAMTJGTVXYMHU-UHFFFAOYSA-N 0 0 342.446 4.549 50 0 EJAARN CCc1ccc(NC(=O)c2cc3c(s2)c2ccccc2oc3=O)cc1 ZINC000004563764 210222003 /nfs/dbraw/zinc/22/20/03/210222003.db2.gz AWXGICGJHDZRHP-UHFFFAOYSA-N 0 0 349.411 4.822 50 0 EJAARN CCCCCc1nc2ccccc2c(=O)n1-c1ccccc1Cl ZINC000004545670 210219762 /nfs/dbraw/zinc/21/97/62/210219762.db2.gz WCEZVUGVUDHEBK-UHFFFAOYSA-N 0 0 326.827 4.772 50 0 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345.446 4.831 50 0 EJAARN CCOc1ccc(-c2csc([C@H]3COc4ccccc4O3)n2)cc1 ZINC000000209324 209485718 /nfs/dbraw/zinc/48/57/18/209485718.db2.gz ZJRXUUQCZBMFLC-GOSISDBHSA-N 0 0 339.416 4.721 50 0 EJAARN CCC(NC(=O)Nc1ccc(C)cc1C)(C(F)(F)F)C(F)(F)F ZINC000000198126 209478500 /nfs/dbraw/zinc/47/85/00/209478500.db2.gz WTENHEKLUKFSPU-UHFFFAOYSA-N 0 0 342.283 4.698 50 0 EJAARN CCOc1ccc(-c2nc([C@H]3COc4ccccc4O3)cs2)cc1 ZINC000000197698 209478025 /nfs/dbraw/zinc/47/80/25/209478025.db2.gz GSFWNYXUHRKUPD-GOSISDBHSA-N 0 0 339.416 4.721 50 0 EJAARN Cc1c(NC(=O)c2cccnc2)cccc1-c1nc2ccccc2s1 ZINC000000192810 209476022 /nfs/dbraw/zinc/47/60/22/209476022.db2.gz SVFUYRRJBROKPX-UHFFFAOYSA-N 0 0 345.427 4.919 50 0 EJAARN Cc1cccc(COc2ccc(-c3noc(-c4ccco4)n3)cc2)c1 ZINC000037547665 213155576 /nfs/dbraw/zinc/15/55/76/213155576.db2.gz PNYHYDOUHJYZLN-UHFFFAOYSA-N 0 0 332.359 4.884 50 0 EJAARN Cc1cc(C)c(C)c(OCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000000199801 209479343 /nfs/dbraw/zinc/47/93/43/209479343.db2.gz HVEJFVRHJZZCAS-UHFFFAOYSA-N 0 0 328.799 4.894 50 0 EJAARN Cc1ccc(-c2nc3cc(NC(=O)c4cccnc4)ccc3o2)cc1C ZINC000000182751 209470736 /nfs/dbraw/zinc/47/07/36/209470736.db2.gz GMVAPNWKQNTGTC-UHFFFAOYSA-N 0 0 343.386 4.759 50 0 EJAARN COC(=O)c1sc2ccccc2c1NC(=O)c1ccc(C)c(C)c1 ZINC000000190403 209474498 /nfs/dbraw/zinc/47/44/98/209474498.db2.gz JNLLESCNHZYBBP-UHFFFAOYSA-N 0 0 339.416 4.557 50 0 EJAARN FC(F)(F)c1cc(Cl)c(I)c(Cl)c1 ZINC000000165138 209461108 /nfs/dbraw/zinc/46/11/08/209461108.db2.gz RLCCFAVBZGICHD-UHFFFAOYSA-N 0 0 340.897 4.617 50 0 EJAARN COc1ccc(C(=O)[C@@H](C)c2ccc(CC(C)C)cc2)c(OC)c1 ZINC000000165849 209460050 /nfs/dbraw/zinc/46/00/50/209460050.db2.gz UVHJXEPTGFQBHN-HNNXBMFYSA-N 0 0 326.436 4.889 50 0 EJAARN c1ccc(-c2c(-c3nnnn3-c3ccccc3)cnc3ccccc32)cc1 ZINC000000161115 209459502 /nfs/dbraw/zinc/45/95/02/209459502.db2.gz KVXXQLBODLNMBC-UHFFFAOYSA-N 0 0 349.397 4.545 50 0 EJAARN O=C1C[C@@H](c2cccc(Cl)c2)c2cnn(Cc3cccs3)c2N1 ZINC000072404416 216195994 /nfs/dbraw/zinc/19/59/94/216195994.db2.gz RGOVQNCCRVKTEZ-AWEZNQCLSA-N 0 0 343.839 4.770 50 0 EJAARN O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(Br)cc1 ZINC000000146689 209450473 /nfs/dbraw/zinc/45/04/73/209450473.db2.gz DTAOCIFWZRCFSL-XCVCLJGOSA-N 0 0 337.600 4.721 50 0 biogenic EJAARN O=C(/C=C/c1ccco1)Nc1ccc2oc(-c3ccccc3)nc2c1 ZINC000000135768 209443786 /nfs/dbraw/zinc/44/37/86/209443786.db2.gz QCWQCPXWXQETCT-PKNBQFBNSA-N 0 0 330.343 4.740 50 0 EJAARN CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1COc2ccccc2O1 ZINC000000138275 209445214 /nfs/dbraw/zinc/44/52/14/209445214.db2.gz OYACKNDMELGOSJ-LJQANCHMSA-N 0 0 339.435 4.712 50 0 EJAARN CCOC(=O)c1cnc(-c2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000000140348 209445332 /nfs/dbraw/zinc/44/53/32/209445332.db2.gz BEPUVOWUABWXQD-UHFFFAOYSA-N 0 0 338.794 4.641 50 0 EJAARN CSc1sc(-c2cc[nH]c(=S)n2)c2c1C(=O)CC(C)(C)C2 ZINC000000126008 209437981 /nfs/dbraw/zinc/43/79/81/209437981.db2.gz WUHVOZKJVVTKFU-UHFFFAOYSA-N 0 0 336.507 4.745 50 0 EJAARN CSc1sc(C(=O)c2ccc(Cl)cc2)c2c1C(=O)CCC2 ZINC000000125481 209436620 /nfs/dbraw/zinc/43/66/20/209436620.db2.gz KKUYPORBHQIZOE-UHFFFAOYSA-N 0 0 336.865 4.873 50 0 EJAARN CC(C)(C)c1ccc(CN(C(=O)c2ccco2)c2ccccn2)cc1 ZINC000028291083 212613194 /nfs/dbraw/zinc/61/31/94/212613194.db2.gz MDCMFNJMXVTLID-UHFFFAOYSA-N 0 0 334.419 4.819 50 0 EJAARN CC(C)(C)C(=O)C(Cc1c(F)cccc1Cl)C(=O)C(C)(C)C ZINC000000113077 209429855 /nfs/dbraw/zinc/42/98/55/209429855.db2.gz VFDRBKSQCJFFST-UHFFFAOYSA-N 0 0 326.839 4.868 50 0 EJAARN O=C(Nc1ccccc1Cl)/C(Br)=C/c1ccccc1 ZINC000000113588 209428970 /nfs/dbraw/zinc/42/89/70/209428970.db2.gz QSPMNKCBPKQOMY-BENRWUELSA-N 0 0 336.616 4.715 50 0 EJAARN CCOC(=O)Oc1ccc2c(c1)occ(-c1ccccc1Cl)c2=O ZINC000000110333 209427500 /nfs/dbraw/zinc/42/75/00/209427500.db2.gz KYFISQGMGUJGCW-UHFFFAOYSA-N 0 0 344.750 4.649 50 0 biogenic EJAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1nc2ccc(C)cc2s1 ZINC000000081340 209406363 /nfs/dbraw/zinc/40/63/63/209406363.db2.gz MKBQGLYBYVTCMS-UHFFFAOYSA-N 0 0 349.415 4.820 50 0 EJAARN Clc1ccc(-c2csc(-c3n[nH]cc3Br)n2)cc1 ZINC000000078558 209404844 /nfs/dbraw/zinc/40/48/44/209404844.db2.gz GKIOUGFYVSHEDN-UHFFFAOYSA-N 0 0 340.633 4.616 50 0 EJAARN CCCc1cc(=O)oc2cc(OC(=O)c3ccccc3Cl)ccc12 ZINC000000090195 209413687 /nfs/dbraw/zinc/41/36/87/209413687.db2.gz OXWYEEDMIUFLHK-UHFFFAOYSA-N 0 0 342.778 4.618 50 0 EJAARN CCCc1ccc2c(N)c(C(=O)c3ccc(Cl)cc3)sc2n1 ZINC000000084230 209409751 /nfs/dbraw/zinc/40/97/51/209409751.db2.gz MMIHTEOPCGVWEZ-UHFFFAOYSA-N 0 0 330.840 4.715 50 0 EJAARN Cc1cccc(Nc2nc(Cl)nc(Nc3cccc(C)c3)n2)c1 ZINC000000069423 209399565 /nfs/dbraw/zinc/39/95/65/209399565.db2.gz CJURHQCDXDUZIA-UHFFFAOYSA-N 0 0 325.803 4.629 50 0 EJAARN COC(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000000067524 209398845 /nfs/dbraw/zinc/39/88/45/209398845.db2.gz MYDQKDVLQAKOGU-UHFFFAOYSA-N 0 0 345.807 4.594 50 0 EJAARN CC(=O)c1oc2ccccc2c1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000000053821 209392307 /nfs/dbraw/zinc/39/23/07/209392307.db2.gz SUWNPQDHHDOQMK-UHFFFAOYSA-N 0 0 347.292 4.907 50 0 EJAARN Fc1ccc(Nc2nc(Cl)nc(NCCC3=CCCCC3)n2)cc1 ZINC000000053807 209391461 /nfs/dbraw/zinc/39/14/61/209391461.db2.gz GONJLESEDNRFAG-UHFFFAOYSA-N 0 0 347.825 4.710 50 0 EJAARN O=C(c1ccccc1)c1ccc(NC(=S)Nc2ccccc2)cc1 ZINC000000046393 209389312 /nfs/dbraw/zinc/38/93/12/209389312.db2.gz WWAKLNWATXCRJR-UHFFFAOYSA-N 0 0 332.428 4.727 50 0 EJAARN COc1ccc(/C=C/C(=O)Nc2cccc3ccccc32)cc1OC ZINC000000045967 209387553 /nfs/dbraw/zinc/38/75/53/209387553.db2.gz PZHWMOCNXFLQTO-ACCUITESSA-N 0 0 333.387 4.509 50 0 biogenic,in-vitro EJAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccccc3)cc12 ZINC000000044613 209386539 /nfs/dbraw/zinc/38/65/39/209386539.db2.gz YMTWLCPSMYFKEL-UHFFFAOYSA-N 0 0 333.416 4.648 50 0 EJAARN O=C(c1cccc(-n2cccc2)c1)N1CCC(Cc2ccccc2)CC1 ZINC000028199138 212603052 /nfs/dbraw/zinc/60/30/52/212603052.db2.gz QOWFCULMQFWADJ-UHFFFAOYSA-N 0 0 344.458 4.572 50 0 EJAARN c1c[nH]c(-c2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)n1 ZINC000072462966 216245744 /nfs/dbraw/zinc/24/57/44/216245744.db2.gz XNLHZFCPNOVSNU-UHFFFAOYSA-N 0 0 340.386 4.735 50 0 EJAARN Cc1cc2cc(C(=O)N(C)Cc3cc(-c4ccccc4)no3)ccc2o1 ZINC000072463702 216246383 /nfs/dbraw/zinc/24/63/83/216246383.db2.gz MBHWEGROQNFTFF-UHFFFAOYSA-N 0 0 346.386 4.668 50 0 EJAARN C/C=C/C=C\C(=O)O[C@@H](C(=O)Nc1cc(C)cc(C)c1)c1ccccc1 ZINC000229783864 201044098 /nfs/dbraw/zinc/04/40/98/201044098.db2.gz QEVXPMQLNDNWJW-DQUJLAGRSA-N 0 0 349.430 4.659 50 0 EJAARN O=C(NC1=Nc2cccc3cccc1c23)c1cccc(C(F)(F)F)c1 ZINC000000084249 201055131 /nfs/dbraw/zinc/05/51/31/201055131.db2.gz HXKQIFWIFTWQOF-UHFFFAOYSA-N 0 0 340.304 4.680 50 0 EJAARN CC(C)Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000000425751 201357255 /nfs/dbraw/zinc/35/72/55/201357255.db2.gz LEQBZJGAQQRIAM-UHFFFAOYSA-N 0 0 328.419 4.908 50 0 EJAARN CC(C)Oc1ccc(Br)cc1C[NH2+]Cc1ccccc1 ZINC000004857818 201360007 /nfs/dbraw/zinc/36/00/07/201360007.db2.gz XWPMIVULRZQAEX-UHFFFAOYSA-N 0 0 334.257 4.526 50 0 EJAARN CCc1cccc(Nc2nc3ccccc3nc2C(=O)OC(C)C)c1 ZINC000045901488 202559060 /nfs/dbraw/zinc/55/90/60/202559060.db2.gz JDALPGUNROQFSL-UHFFFAOYSA-N 0 0 335.407 4.501 50 0 EJAARN O=C(N[C@H](c1cccs1)c1ccc2c(c1)CCCC2)c1ccoc1 ZINC000024659435 212431029 /nfs/dbraw/zinc/43/10/29/212431029.db2.gz CGRNGNSTGTWUFO-IBGZPJMESA-N 0 0 337.444 4.739 50 0 EJAARN CN(Cc1ccsc1)C(=O)/C=C/c1ccc(-c2ccccc2F)o1 ZINC000024384842 212420394 /nfs/dbraw/zinc/42/03/94/212420394.db2.gz KAUILVHONLHSOK-VQHVLOKHSA-N 0 0 341.407 4.819 50 0 EJAARN Cc1sc(-n2cccc2)c(C(=O)Nc2ccc(C)cc2F)c1C ZINC000023698260 212390150 /nfs/dbraw/zinc/39/01/50/212390150.db2.gz PCYHIZPXEUJDOD-UHFFFAOYSA-N 0 0 328.412 4.855 50 0 EJAARN CSc1ccc2nc(NCc3ccc4c(c3)OCO4)cc(C)c2c1 ZINC000023550126 212383070 /nfs/dbraw/zinc/38/30/70/212383070.db2.gz MUMWGWDGDGORCM-UHFFFAOYSA-N 0 0 338.432 4.606 50 0 EJAARN Cc1cc(NCc2ccc3c(c2)OCO3)nc2cc(Cl)ccc12 ZINC000023634150 212386275 /nfs/dbraw/zinc/38/62/75/212386275.db2.gz MTDSWVKGTIVQIE-UHFFFAOYSA-N 0 0 326.783 4.537 50 0 EJAARN C[C@H](NC(=O)Cc1ccccc1Cl)c1cccc(C(F)(F)F)c1 ZINC000023546911 212382464 /nfs/dbraw/zinc/38/24/64/212382464.db2.gz FJWCTNPWCPFWHE-NSHDSACASA-N 0 0 341.760 4.779 50 0 EJAARN Cc1ccc(F)cc1Cn1ccc(-c2cccc(-c3cnccn3)c2)n1 ZINC000023542415 212381005 /nfs/dbraw/zinc/38/10/05/212381005.db2.gz WFFVSCGLAHYOGX-UHFFFAOYSA-N 0 0 344.393 4.503 50 0 EJAARN C[C@H](NC(=O)CCC(=O)c1ccccc1)c1cccc2ccccc21 ZINC000023433586 212377303 /nfs/dbraw/zinc/37/73/03/212377303.db2.gz AVWPLOKSFNOPHB-INIZCTEOSA-N 0 0 331.415 4.680 50 0 EJAARN Cc1cc2nnc(SCc3ccc(Cl)nc3)n2c2ccccc12 ZINC000023407767 212375248 /nfs/dbraw/zinc/37/52/48/212375248.db2.gz GZNKLMZSWWZEGG-UHFFFAOYSA-N 0 0 340.839 4.532 50 0 EJAARN Cc1ccccc1C(=O)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1 ZINC000023305888 212368258 /nfs/dbraw/zinc/36/82/58/212368258.db2.gz XWRUFLQEMOXOCM-QFIPXVFZSA-N 0 0 345.417 4.922 50 0 EJAARN Cc1ccc(C(=O)N2CCc3ccccc3[C@@H]2c2ccccc2F)cc1 ZINC000023306613 212368127 /nfs/dbraw/zinc/36/81/27/212368127.db2.gz BZKFQRDUXKTTDB-JOCHJYFZSA-N 0 0 345.417 4.922 50 0 EJAARN Cc1ccc([C@H]2c3ccccc3CCN2C(=O)c2ccc(F)cc2)cc1 ZINC000023304875 212368010 /nfs/dbraw/zinc/36/80/10/212368010.db2.gz RLJSVELJDCEHPL-QFIPXVFZSA-N 0 0 345.417 4.922 50 0 EJAARN c1nn2c(nc(-c3ccccc3)cc2N2CCCC2)c1-c1ccccc1 ZINC000023115004 212349264 /nfs/dbraw/zinc/34/92/64/212349264.db2.gz SYOOUQNLTMUKKO-UHFFFAOYSA-N 0 0 340.430 4.664 50 0 EJAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc(C)cc1C ZINC000000044664 201426549 /nfs/dbraw/zinc/42/65/49/201426549.db2.gz VCERAGQXISOSRE-UHFFFAOYSA-N 0 0 339.826 4.703 50 0 EJAARN Cc1oc(-c2cccs2)nc1CC(=O)Nc1cc(C)cc(C)c1 ZINC000022962032 212339049 /nfs/dbraw/zinc/33/90/49/212339049.db2.gz DMBLTFXEZCRAAH-UHFFFAOYSA-N 0 0 326.421 4.510 50 0 EJAARN COc1ccc(-c2nc(COc3cccc4ccc(C)nc43)co2)cc1 ZINC000022842146 212328094 /nfs/dbraw/zinc/32/80/94/212328094.db2.gz ACAFVXHNCNOUOH-UHFFFAOYSA-N 0 0 346.386 4.786 50 0 EJAARN Cc1nc(C)c(NC(=O)CCCC(=O)c2c(C)cc(C)cc2C)s1 ZINC000075107496 216556327 /nfs/dbraw/zinc/55/63/27/216556327.db2.gz XWABEVLNNRGGPE-UHFFFAOYSA-N 0 0 344.480 4.677 50 0 EJAARN Cc1ccc(C(=O)N2CCC[C@H]2c2cccs2)cc1-n1cccc1 ZINC000022699948 212319237 /nfs/dbraw/zinc/31/92/37/212319237.db2.gz CDTIEQQNJUMAGT-KRWDZBQOSA-N 0 0 336.460 4.825 50 0 EJAARN CCN(CC)C(=O)c1cncn1-c1ccc(-c2cc(C)cc(C)c2)cc1 ZINC000022664949 212316576 /nfs/dbraw/zinc/31/65/76/212316576.db2.gz OQYSZSLBIRWWNR-UHFFFAOYSA-N 0 0 347.462 4.638 50 0 EJAARN Cc1ccc(-c2cc(NC(=O)C3CCCC3)n(-c3ccccc3)n2)cc1 ZINC000022667965 212315852 /nfs/dbraw/zinc/31/58/52/212315852.db2.gz JEZKZVOJIIFZMO-UHFFFAOYSA-N 0 0 345.446 4.976 50 0 EJAARN Cc1noc(-c2ccccc2Cl)c1C(=O)NCc1ccccc1C ZINC000022658936 212314674 /nfs/dbraw/zinc/31/46/74/212314674.db2.gz DRCUXGLVJGFRFM-UHFFFAOYSA-N 0 0 340.810 4.542 50 0 EJAARN CCOc1ccc(-c2ccc(C(=O)NCc3ccccc3)s2)cc1 ZINC000022657653 212314525 /nfs/dbraw/zinc/31/45/25/212314525.db2.gz NBXXQPYZILJNMO-UHFFFAOYSA-N 0 0 337.444 4.744 50 0 EJAARN CCCCN(CC)C(=O)c1cc2c(s1)-c1cc(OC)ccc1CC2 ZINC000022631264 212313325 /nfs/dbraw/zinc/31/33/25/212313325.db2.gz SRHZGIYBCMLXCY-UHFFFAOYSA-N 0 0 343.492 4.785 50 0 EJAARN CCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)C(C)C ZINC000022624793 212312379 /nfs/dbraw/zinc/31/23/79/212312379.db2.gz PUHSGHMKMMQVRJ-CYBMUJFWSA-N 0 0 345.464 4.671 50 0 EJAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=O)[C@H](C)CC ZINC000022621476 212312204 /nfs/dbraw/zinc/31/22/04/212312204.db2.gz PCVQABHABSDIDV-CYBMUJFWSA-N 0 0 345.464 4.500 50 0 EJAARN C[C@H](NC(=O)c1cccnc1Sc1ccccc1)c1cccs1 ZINC000022504801 212302256 /nfs/dbraw/zinc/30/22/56/212302256.db2.gz BVVKWAPSLFICIH-ZDUSSCGKSA-N 0 0 340.473 4.785 50 0 EJAARN Cc1ccc(-n2nnnc2C2(Nc3ccccc3C)CCCCC2)cc1 ZINC000022436818 212297174 /nfs/dbraw/zinc/29/71/74/212297174.db2.gz VOOIJTXZPSJFEU-UHFFFAOYSA-N 0 0 347.466 4.551 50 0 EJAARN Cc1nccc(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)n1 ZINC000000096462 201434153 /nfs/dbraw/zinc/43/41/53/201434153.db2.gz MHGKQRJCERMRFU-UHFFFAOYSA-N 0 0 338.798 4.749 50 0 EJAARN c1sc(-c2ccc3c(c2)OCCO3)nc1-c1cc2ccccc2o1 ZINC000000105592 201434852 /nfs/dbraw/zinc/43/48/52/201434852.db2.gz ZWZSEMIVVKXHNL-UHFFFAOYSA-N 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NEMSGHZGPWBCBB-UHFFFAOYSA-N 0 0 345.464 4.620 50 0 EJAARN CCCCNC(=O)c1cc(N(C)C2CCCCC2)nc2ccccc21 ZINC000022344747 212292790 /nfs/dbraw/zinc/29/27/90/212292790.db2.gz GAIDBKONGDECIN-UHFFFAOYSA-N 0 0 339.483 4.534 50 0 EJAARN O=C(c1cc(Br)ccc1F)N1CCC[C@@H]1c1ccccc1 ZINC000022328639 212290456 /nfs/dbraw/zinc/29/04/56/212290456.db2.gz RLESQGQGWQMFDA-MRXNPFEDSA-N 0 0 348.215 4.566 50 0 EJAARN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1cccc(C)c1 ZINC000022245740 212285388 /nfs/dbraw/zinc/28/53/88/212285388.db2.gz ARMKLHDHVHAELE-UHFFFAOYSA-N 0 0 341.411 4.895 50 0 EJAARN O=C(Nc1cc2ccccc2s1)Nc1ccc2c(c1)OCCCO2 ZINC000000147586 201440663 /nfs/dbraw/zinc/44/06/63/201440663.db2.gz KPVHJUXWSJTZQZ-UHFFFAOYSA-N 0 0 340.404 4.707 50 0 EJAARN CC(=O)Nc1ccc(NC(=O)Nc2ccc(C(C)(C)C)cc2)cc1 ZINC000000155573 201441669 /nfs/dbraw/zinc/44/16/69/201441669.db2.gz NJVRKXAODXLJCQ-UHFFFAOYSA-N 0 0 325.412 4.587 50 0 EJAARN O=C1CS[C@@H](c2ccc(Cl)cc2Cl)N1c1cccc(F)c1 ZINC000000180035 201444111 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O=C(Cc1cc(-c2ccccc2)on1)Nc1ccc(C(F)(F)F)cc1 ZINC000012861804 211471370 /nfs/dbraw/zinc/47/13/70/211471370.db2.gz SQIDNAVZCGPRRH-UHFFFAOYSA-N 0 0 346.308 4.542 50 0 EJAARN Cc1cccc(C)c1NC(=O)Cc1csc(-c2ccsc2)n1 ZINC000012792652 211459313 /nfs/dbraw/zinc/45/93/13/211459313.db2.gz VVXOQJYASHGNFS-UHFFFAOYSA-N 0 0 328.462 4.670 50 0 EJAARN Cc1c(C(=O)N2CCC[C@@H](C(F)(F)F)C2)sc2cccc(F)c12 ZINC000012793495 211458868 /nfs/dbraw/zinc/45/88/68/211458868.db2.gz BOOSYYQCKZYBLB-SNVBAGLBSA-N 0 0 345.361 4.763 50 0 EJAARN COc1ccc(CN(C(=O)Nc2ccc(Cl)cc2)C2CC2)cc1 ZINC000012747631 211444120 /nfs/dbraw/zinc/44/41/20/211444120.db2.gz PCIWWZCPNGSLFG-UHFFFAOYSA-N 0 0 330.815 4.545 50 0 EJAARN O=C(Nc1ccncc1)c1cc(-c2cccs2)nc2ccccc21 ZINC000012736967 211441168 /nfs/dbraw/zinc/44/11/68/211441168.db2.gz DRKLHCMTMPKNMQ-UHFFFAOYSA-N 0 0 331.400 4.611 50 0 EJAARN Cc1ccc2cccc(NC(=O)COc3ccc(C(C)(C)C)cc3)c2n1 ZINC000012651345 211429192 /nfs/dbraw/zinc/42/91/92/211429192.db2.gz RJZIDMDUGJCFQR-UHFFFAOYSA-N 0 0 348.446 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ZINC000010808809 211189377 /nfs/dbraw/zinc/18/93/77/211189377.db2.gz UDHPVGIFJQXPBS-UHFFFAOYSA-N 0 0 342.830 4.535 50 0 EJAARN CCn1c2ccccc2nc1NC(=O)c1ccc(Cl)cc1Cl ZINC000010651415 211183981 /nfs/dbraw/zinc/18/39/81/211183981.db2.gz QONPCTSXIQCILW-UHFFFAOYSA-N 0 0 334.206 4.615 50 0 EJAARN O=C(CCCc1nc2ccccc2s1)Nc1cccc2cccnc21 ZINC000010912031 211194184 /nfs/dbraw/zinc/19/41/84/211194184.db2.gz MLNYOOOXIQJVDF-UHFFFAOYSA-N 0 0 347.443 4.806 50 0 EJAARN Cc1cccc(-n2ccnc2SCc2nc(-c3ccccc3)no2)c1 ZINC000010887359 211193565 /nfs/dbraw/zinc/19/35/65/211193565.db2.gz OMLACZULADOUQJ-UHFFFAOYSA-N 0 0 348.431 4.523 50 0 EJAARN Cc1csc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)n1 ZINC000010554661 211181522 /nfs/dbraw/zinc/18/15/22/211181522.db2.gz WKYBCVVDOKKQJA-MRXNPFEDSA-N 0 0 340.473 4.924 50 0 EJAARN O=C(Nc1ccc(N2CCCC2)cc1)c1ccccc1C(F)(F)F ZINC000010429494 211171777 /nfs/dbraw/zinc/17/17/77/211171777.db2.gz QHVVESNPCFTAAU-UHFFFAOYSA-N 0 0 334.341 4.558 50 0 EJAARN O=C(Nc1cccc(Cl)c1)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000010297251 211161305 /nfs/dbraw/zinc/16/13/05/211161305.db2.gz IGLLDTGOOGHOML-KRWDZBQOSA-N 0 0 346.814 4.542 50 0 EJAARN COc1ccc2cc(CNC(=O)N[C@@H](C)c3ccccc3C)ccc2c1 ZINC000010279550 211159354 /nfs/dbraw/zinc/15/93/54/211159354.db2.gz IXHLJBWRHQQZIL-INIZCTEOSA-N 0 0 348.446 4.717 50 0 EJAARN Cc1ccc(SCCC(=O)Nc2ccc3scnc3c2)cc1 ZINC000010217610 211155078 /nfs/dbraw/zinc/15/50/78/211155078.db2.gz IBCZWMKYOLDHGN-UHFFFAOYSA-N 0 0 328.462 4.726 50 0 EJAARN O=C(CCSc1ccc(F)cc1)Nc1ccc2scnc2c1 ZINC000010217602 211154505 /nfs/dbraw/zinc/15/45/05/211154505.db2.gz QVBMMMFNSNKIJN-UHFFFAOYSA-N 0 0 332.425 4.556 50 0 EJAARN COc1cccc2c1O[C@H](c1ccco1)N1N=C(c3ccccc3)C[C@H]21 ZINC000010215571 211153150 /nfs/dbraw/zinc/15/31/50/211153150.db2.gz ZXSMGQXTMYIIMY-DYESRHJHSA-N 0 0 346.386 4.531 50 0 EJAARN Oc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccs2)c1 ZINC000010215377 211152971 /nfs/dbraw/zinc/15/29/71/211152971.db2.gz OVPLERFNBCIBAQ-PXNSSMCTSA-N 0 0 348.427 4.696 50 0 EJAARN COc1ccc(Nc2ccccc2NC(=O)c2cc(C)oc2C)cc1 ZINC000009945471 211135181 /nfs/dbraw/zinc/13/51/81/211135181.db2.gz QHBPSBHHWMQWGZ-UHFFFAOYSA-N 0 0 336.391 4.901 50 0 EJAARN O=C(c1ccc(Cl)cc1Cl)N1CCc2[nH]c3ccccc3c2C1 ZINC000009899764 211131774 /nfs/dbraw/zinc/13/17/74/211131774.db2.gz SWAGUWFMFXCEDF-UHFFFAOYSA-N 0 0 345.229 4.673 50 0 EJAARN O=C(CCc1nc2ccccc2s1)N1CCC[C@@H]1c1ccccc1 ZINC000009895242 211131786 /nfs/dbraw/zinc/13/17/86/211131786.db2.gz AYLHSFVFFDLIMM-QGZVFWFLSA-N 0 0 336.460 4.593 50 0 EJAARN Cc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 ZINC000009827824 211125773 /nfs/dbraw/zinc/12/57/73/211125773.db2.gz CPGUYPHOYZOUJM-UHFFFAOYSA-N 0 0 344.370 4.605 50 0 EJAARN CCOc1cc(C(=O)N[C@H](C)c2ccc3ccccc3c2)ccc1OC ZINC000009751208 211122436 /nfs/dbraw/zinc/12/24/36/211122436.db2.gz SDYQGKZSBQVHJX-OAHLLOKOSA-N 0 0 349.430 4.738 50 0 EJAARN CCc1ccc(Cc2cnc(NC(=O)c3c(C)coc3C)s2)cc1 ZINC000009763970 211122347 /nfs/dbraw/zinc/12/23/47/211122347.db2.gz XFNLBEKBFYOWLO-UHFFFAOYSA-N 0 0 340.448 4.758 50 0 EJAARN Cc1cc(C)c(Cn2cccc2CNC(=O)Nc2ccccc2)c(C)c1 ZINC000009723025 211119711 /nfs/dbraw/zinc/11/97/11/211119711.db2.gz ONETWSXTNURKCV-UHFFFAOYSA-N 0 0 347.462 4.783 50 0 EJAARN Cc1cccc(Cn2cccc2CNC(=O)Nc2cc(C)ccc2C)c1 ZINC000009722066 211118539 /nfs/dbraw/zinc/11/85/39/211118539.db2.gz OWLGZXYESVSXJF-UHFFFAOYSA-N 0 0 347.462 4.783 50 0 EJAARN Cc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccco4)ccc3o2)cc1 ZINC000009659966 211112373 /nfs/dbraw/zinc/11/23/73/211112373.db2.gz LFNLOTXLITUYTE-UHFFFAOYSA-N 0 0 345.354 4.614 50 0 EJAARN CCCc1ccc(-c2nc(NC(=O)c3cccnc3)sc2C)cc1 ZINC000009653046 211111885 /nfs/dbraw/zinc/11/18/85/211111885.db2.gz ZWBIAQPFPSWWHH-UHFFFAOYSA-N 0 0 337.448 4.718 50 0 EJAARN C[C@@H](Sc1ncnc2sccc21)c1nnc(-c2cccs2)o1 ZINC000009606490 211107115 /nfs/dbraw/zinc/10/71/15/211107115.db2.gz QLGNZGKSRVCOHV-MRVPVSSYSA-N 0 0 346.462 4.656 50 0 EJAARN CC(=O)N1N=C(c2cccc(Cl)c2Cl)O[C@@H]1c1ccccc1C ZINC000009587005 211105800 /nfs/dbraw/zinc/10/58/00/211105800.db2.gz XDRVMYJBRLMATI-QGZVFWFLSA-N 0 0 349.217 4.541 50 0 EJAARN Cc1nn(-c2cc(C)cc(C)c2)c2c1[C@H](c1ccsc1)CC(=O)N2 ZINC000009486614 211092588 /nfs/dbraw/zinc/09/25/88/211092588.db2.gz CUUFTVGENPAALK-INIZCTEOSA-N 0 0 337.448 4.983 50 0 EJAARN C[C@H](NC(=O)c1ccc2noc(-c3ccccc3)c2c1)c1ccccc1 ZINC000009528914 211098714 /nfs/dbraw/zinc/09/87/14/211098714.db2.gz SHBDOEWKPKWOPA-HNNXBMFYSA-N 0 0 342.398 4.986 50 0 EJAARN C[C@@H](SCc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000009516619 211096723 /nfs/dbraw/zinc/09/67/23/211096723.db2.gz QFEOALFATAGPCR-CYBMUJFWSA-N 0 0 329.440 4.575 50 0 EJAARN COc1ccc(CNc2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000009356292 211074158 /nfs/dbraw/zinc/07/41/58/211074158.db2.gz IHPBVJFCWCKFHF-UHFFFAOYSA-N 0 0 343.430 4.705 50 0 EJAARN CC(C)c1ccccc1NC(=O)c1ccc(F)cc1Br ZINC000009364401 211073939 /nfs/dbraw/zinc/07/39/39/211073939.db2.gz IIQVLSHHPDQWQS-UHFFFAOYSA-N 0 0 336.204 4.964 50 0 EJAARN CCCCn1nc(NC(=O)CC(C)C)c2cc3ccc(C)cc3nc21 ZINC000009328343 211070239 /nfs/dbraw/zinc/07/02/39/211070239.db2.gz 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/nfs/dbraw/zinc/04/40/92/211044092.db2.gz VPZHXQAJIYELTK-UHFFFAOYSA-N 0 0 331.828 4.819 50 0 EJAARN CCCN(C(=O)c1ccc(SC)cc1OC)c1cccc(C)c1 ZINC000009095446 211038491 /nfs/dbraw/zinc/03/84/91/211038491.db2.gz HQLAKEVUXIIUCZ-UHFFFAOYSA-N 0 0 329.465 4.782 50 0 EJAARN Cc1cccc(-c2nnc(SCC(=O)c3cccc(Cl)c3)o2)c1 ZINC000009051371 211034935 /nfs/dbraw/zinc/03/49/35/211034935.db2.gz CTAKUZNGCFDBER-UHFFFAOYSA-N 0 0 344.823 4.673 50 0 EJAARN O=C(CSc1ccc(F)cc1)Nc1ccc(-c2nccs2)cc1 ZINC000009050758 211034249 /nfs/dbraw/zinc/03/42/49/211034249.db2.gz RNBQJVBBYHQOTP-UHFFFAOYSA-N 0 0 344.436 4.680 50 0 EJAARN Cc1nc(-c2cccs2)ccc1C(=O)N(CC(F)(F)F)C(C)C ZINC000095364804 218297757 /nfs/dbraw/zinc/29/77/57/218297757.db2.gz AUXWDTNIGFOAAN-UHFFFAOYSA-N 0 0 342.386 4.531 50 0 EJAARN COc1cc(SC)ccc1C(=O)Nc1nc2ccc(C)cc2s1 ZINC000008974421 211023839 /nfs/dbraw/zinc/02/38/39/211023839.db2.gz RSBUUJBZHPSVCP-UHFFFAOYSA-N 0 0 344.461 4.588 50 0 EJAARN COc1ccc(/C=C/c2nc(-c3ccc(F)cc3)cs2)cc1O ZINC000008848645 211010104 /nfs/dbraw/zinc/01/01/04/211010104.db2.gz FPUNTUJKZXLKST-YCRREMRBSA-N 0 0 327.380 4.834 50 0 EJAARN Nc1cc(-c2ccc(Cl)cc2)sc1-c1nnc2n1CCCCC2 ZINC000008877929 211014458 /nfs/dbraw/zinc/01/44/58/211014458.db2.gz CQQRKGANJCTQSJ-UHFFFAOYSA-N 0 0 344.871 4.636 50 0 EJAARN Cc1csc([C@@H]2CCCCN2c2ncnc3sc(C)c(C)c32)n1 ZINC000095393669 218324995 /nfs/dbraw/zinc/32/49/95/218324995.db2.gz GJROWPDRMAVXJZ-ZDUSSCGKSA-N 0 0 344.509 4.805 50 0 EJAARN Cc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)cc1 ZINC000008770763 211003181 /nfs/dbraw/zinc/00/31/81/211003181.db2.gz DVLPNCHMIOSWCY-UHFFFAOYSA-N 0 0 330.359 4.649 50 0 EJAARN COc1cc2c(c3oc(=O)cc(-c4ccccc4)c13)CCC(C)(C)O2 ZINC000008765308 211002830 /nfs/dbraw/zinc/00/28/30/211002830.db2.gz BBWXUVRTELNMIS-UHFFFAOYSA-N 0 0 336.387 4.572 50 0 biogenic EJAARN C[C@H](CCc1ccccc1)NC(=O)CCCc1c[nH]c2ccccc12 ZINC000008764310 211002335 /nfs/dbraw/zinc/00/23/35/211002335.db2.gz FZGQHQPMUPDUNI-QGZVFWFLSA-N 0 0 334.463 4.628 50 0 biogenic EJAARN CN(Cc1ccc[nH]1)C(=O)C1(c2cccc(Cl)c2)CCCCC1 ZINC000095406143 218341905 /nfs/dbraw/zinc/34/19/05/218341905.db2.gz PIJFDHFDLOFTOG-UHFFFAOYSA-N 0 0 330.859 4.529 50 0 EJAARN Cn1ccnc1CNc1ccc(Oc2ncc(Cl)cc2Cl)cc1 ZINC000095411959 218348863 /nfs/dbraw/zinc/34/88/63/218348863.db2.gz LWJPJBLZQGZRTN-UHFFFAOYSA-N 0 0 349.221 4.526 50 0 EJAARN CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1SC ZINC000008478673 210957628 /nfs/dbraw/zinc/95/76/28/210957628.db2.gz AWDHFEBXWLOYSB-HNNXBMFYSA-N 0 0 335.856 4.858 50 0 EJAARN Cc1ccc(NCc2cnn(C(C)(C)C)c2)cc1NC(=O)C(C)(C)C ZINC000095429086 218372043 /nfs/dbraw/zinc/37/20/43/218372043.db2.gz JRLCIBZHNYRZDW-UHFFFAOYSA-N 0 0 342.487 4.543 50 0 EJAARN Clc1cc(CSc2nc3ccccc3o2)cc2c1OCCO2 ZINC000008428892 210951988 /nfs/dbraw/zinc/95/19/88/210951988.db2.gz UBKDLORFTXGZGN-UHFFFAOYSA-N 0 0 333.796 4.545 50 0 EJAARN CCCCCCn1c(CNC(=O)c2cccs2)nc2ccccc21 ZINC000008361839 210941807 /nfs/dbraw/zinc/94/18/07/210941807.db2.gz HIVKOSAWJXPUDF-UHFFFAOYSA-N 0 0 341.480 4.608 50 0 EJAARN CCCn1c2ccccc2nc1CN1CCCCC[C@H]1c1ccncc1 ZINC000095453819 218397665 /nfs/dbraw/zinc/39/76/65/218397665.db2.gz COXLPAPOEZUSPY-FQEVSTJZSA-N 0 0 348.494 4.959 50 0 EJAARN Cc1ccc2c(CC(=O)N(C)Cc3ccc(Cl)s3)coc2c1 ZINC000008276439 210925916 /nfs/dbraw/zinc/92/59/16/210925916.db2.gz FXCCBQLZFCLFFZ-UHFFFAOYSA-N 0 0 333.840 4.657 50 0 EJAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1nc2ccc(F)cc2s1 ZINC000008210614 210912363 /nfs/dbraw/zinc/91/23/63/210912363.db2.gz ZSCNUZCIARLBFQ-UHFFFAOYSA-N 0 0 344.342 4.881 50 0 EJAARN C[C@@H](NC(=O)COc1cccc2ccccc21)c1cc2ccccc2o1 ZINC000008156417 210902717 /nfs/dbraw/zinc/90/27/17/210902717.db2.gz CIHLLHBTEHOEDG-OAHLLOKOSA-N 0 0 345.398 4.842 50 0 EJAARN O=C(CCC1CCCC1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008104938 210896167 /nfs/dbraw/zinc/89/61/67/210896167.db2.gz LSBULDQBDSEEDH-MRXNPFEDSA-N 0 0 342.508 4.973 50 0 EJAARN CCCCc1nn2cc(-c3cccc(Br)c3)nc2s1 ZINC000007994996 210880047 /nfs/dbraw/zinc/88/00/47/210880047.db2.gz IZZKAJBVOUSIDA-UHFFFAOYSA-N 0 0 336.258 4.563 50 0 EJAARN CC[C@@H](NC(=O)c1cc2ccccc2cc1OC)c1ccc(OC)cc1 ZINC000007986703 210876225 /nfs/dbraw/zinc/87/62/25/210876225.db2.gz DCYYSKPEMQJAMV-HXUWFJFHSA-N 0 0 349.430 4.738 50 0 EJAARN Cc1nc(-c2ccsc2)sc1C(=O)NCc1cccc(Cl)c1 ZINC000007952575 210869239 /nfs/dbraw/zinc/86/92/39/210869239.db2.gz DOUZOOJWMFZTCO-UHFFFAOYSA-N 0 0 348.880 4.763 50 0 EJAARN C[C@H]1CCN(C(=O)CSc2ccccc2F)c2ccccc2S1 ZINC000007910526 210863702 /nfs/dbraw/zinc/86/37/02/210863702.db2.gz KQCDIQMMZNVBJV-ZDUSSCGKSA-N 0 0 347.480 4.835 50 0 EJAARN CC[C@H](c1ccc(F)cc1)[S@](=O)Cc1coc(-c2cccs2)n1 ZINC000095960698 218466346 /nfs/dbraw/zinc/46/63/46/218466346.db2.gz GZPHALFMLJHRQL-MWTRTKDXSA-N 0 0 349.452 4.942 50 0 EJAARN O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1ccccc1F ZINC000007792991 210848141 /nfs/dbraw/zinc/84/81/41/210848141.db2.gz PFXNTICCIDFLDL-UHFFFAOYSA-N 0 0 338.407 4.690 50 0 EJAARN Cc1noc(C)c1COc1ncnc2sc(-c3ccccc3)cc21 ZINC000007779201 210846018 /nfs/dbraw/zinc/84/60/18/210846018.db2.gz FUIJAJGXCNWRJW-UHFFFAOYSA-N 0 0 337.404 4.542 50 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C[C@H](Oc1ccccc1)C(=O)Nc1nc2c(ccc3ccccc23)s1 ZINC000007670821 210829507 /nfs/dbraw/zinc/82/95/07/210829507.db2.gz CUGWHJBQCJCHMM-ZDUSSCGKSA-N 0 0 348.427 4.856 50 0 EJAARN Cc1ccc(-c2cc(C(=O)N[C@H]3CCCc4ccccc43)[nH]n2)cc1C ZINC000006943190 210747739 /nfs/dbraw/zinc/74/77/39/210747739.db2.gz NMNFBZWAMAQOTB-IBGZPJMESA-N 0 0 345.446 4.501 50 0 EJAARN O=C(N[C@H]1CCCc2c3cc(F)ccc3[nH]c21)c1ccc2[nH]ccc2c1 ZINC000096116793 218610625 /nfs/dbraw/zinc/61/06/25/218610625.db2.gz BKZUFGTZYMXIMP-IBGZPJMESA-N 0 0 347.393 4.596 50 0 EJAARN O=C(Nc1cccc2c1CCCC2)n1ncc2cc(Cl)ccc21 ZINC000006768878 210706801 /nfs/dbraw/zinc/70/68/01/210706801.db2.gz CFOPGYNZLYKNIW-UHFFFAOYSA-N 0 0 325.799 4.649 50 0 EJAARN Cc1cc(Nc2c(C)cccc2C)n2nc(-c3ccccc3C)nc2n1 ZINC000006748201 210700124 /nfs/dbraw/zinc/70/01/24/210700124.db2.gz QZWUJELBJHUYPP-UHFFFAOYSA-N 0 0 343.434 4.769 50 0 EJAARN Cc1ccc(C)c(-c2csc(NC(=O)Cc3cccc(F)c3)n2)c1 ZINC000006790319 210712807 /nfs/dbraw/zinc/71/28/07/210712807.db2.gz 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Cc1cc(CNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)ccc1F ZINC000014707179 207834553 /nfs/dbraw/zinc/83/45/53/207834553.db2.gz ZCKWWWVPAAKIDL-UHFFFAOYSA-N 0 0 343.785 4.978 50 0 EJAARN Cc1ccc(-c2nnc(SCC(=O)c3cc(C)ccc3C)o2)cc1 ZINC000005862657 210550102 /nfs/dbraw/zinc/55/01/02/210550102.db2.gz GPYJLRXBNPPVRO-UHFFFAOYSA-N 0 0 338.432 4.637 50 0 EJAARN Cc1nc2cc(NC(=O)c3ccccc3)ccc2n1-c1ccccc1 ZINC000005827533 210543257 /nfs/dbraw/zinc/54/32/57/210543257.db2.gz ICDQDMOTQFHXKJ-UHFFFAOYSA-N 0 0 327.387 4.586 50 0 EJAARN O=C(Nc1ccc(Cl)cc1Cl)C(F)(F)Oc1ccccc1 ZINC000005684188 210516685 /nfs/dbraw/zinc/51/66/85/210516685.db2.gz LZJXYIYLXOWWCN-UHFFFAOYSA-N 0 0 332.133 4.604 50 0 EJAARN COc1cc(C(=O)Nc2ccc(C)cc2Cl)ccc1OC(F)F ZINC000005637038 210507470 /nfs/dbraw/zinc/50/74/70/210507470.db2.gz KBYWQSUBGHRUCB-UHFFFAOYSA-N 0 0 341.741 4.511 50 0 EJAARN COc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1OC ZINC000005634608 210507177 /nfs/dbraw/zinc/50/71/77/210507177.db2.gz MFRZYDXJBJPQJU-UHFFFAOYSA-N 0 0 333.387 4.623 50 0 EJAARN Cc1cccc(C)c1-n1nnnc1SCc1cccc2ccccc21 ZINC000005391529 210456438 /nfs/dbraw/zinc/45/64/38/210456438.db2.gz UWOQQHKUGRQSNW-UHFFFAOYSA-N 0 0 346.459 4.725 50 0 EJAARN O=C(Nc1ccc(F)cc1)c1cccnc1-c1nc2ccccc2s1 ZINC000005451884 210466830 /nfs/dbraw/zinc/46/68/30/210466830.db2.gz JELANTPKQRAEJD-UHFFFAOYSA-N 0 0 349.390 4.750 50 0 EJAARN Cc1ccc(NC(=O)[C@H](C)SC/C=C\c2ccccc2)cc1F ZINC000096809643 218891114 /nfs/dbraw/zinc/89/11/14/218891114.db2.gz XYCCCVGJGWRBNA-AJHXJQRKSA-N 0 0 329.440 4.908 50 0 EJAARN COc1ccccc1/C=C\[C@@H]1Nc2ccccc2C(=O)N1C1CCCC1 ZINC000096794979 218891234 /nfs/dbraw/zinc/89/12/34/218891234.db2.gz KRSMMRXBHXJLTO-DDAIRQTISA-N 0 0 348.446 4.545 50 0 EJAARN Fc1ccc(-c2cc3n(c2)CCc2cc4c(cc2-3)OCCCO4)cc1 ZINC000005354375 210447015 /nfs/dbraw/zinc/44/70/15/210447015.db2.gz KAWGYBLCJZGSEU-UHFFFAOYSA-N 0 0 335.378 4.679 50 0 EJAARN O=C(/C=C\c1ccco1)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000096912742 218898434 /nfs/dbraw/zinc/89/84/34/218898434.db2.gz MNGIZUSZLQJHHU-SNGWPZLWSA-N 0 0 338.432 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/nfs/dbraw/zinc/34/00/73/210340073.db2.gz JUGJETMTEODHFS-HXUWFJFHSA-N 0 0 332.378 4.592 50 0 EJAARN c1ccc(CCNc2nnc(-c3ccccc3)c3ccccc32)cc1 ZINC000004974142 210344863 /nfs/dbraw/zinc/34/48/63/210344863.db2.gz NGJADZVEKVBRHM-UHFFFAOYSA-N 0 0 325.415 4.951 50 0 EJAARN Cc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)c(C)c1 ZINC000003530552 208567923 /nfs/dbraw/zinc/56/79/23/208567923.db2.gz BUNCSJQECURAFL-UHFFFAOYSA-N 0 0 337.202 4.650 50 0 EJAARN CCc1ccc(NC(=O)CSc2cccc3ccc(C)nc32)cc1 ZINC000000036248 208553938 /nfs/dbraw/zinc/55/39/38/208553938.db2.gz JNFRNHFLXJPUPY-UHFFFAOYSA-N 0 0 336.460 4.836 50 0 EJAARN c1coc(-c2nnc(SCc3ccccc3)n2-c2ccccc2)c1 ZINC000000036151 208554190 /nfs/dbraw/zinc/55/41/90/208554190.db2.gz HAAISSSKTUSEAD-UHFFFAOYSA-N 0 0 333.416 4.820 50 0 EJAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccs2)o1 ZINC000004927660 210326133 /nfs/dbraw/zinc/32/61/33/210326133.db2.gz BLHKCRGTBCQZJH-HNAYVOBHSA-N 0 0 336.416 4.892 50 0 EJAARN Clc1ccc2nc3c(c(Nc4ccc5c(c4)OCO5)c2c1)CCC3 ZINC000004924189 210325807 /nfs/dbraw/zinc/32/58/07/210325807.db2.gz KLIRKOYIZPPWIE-UHFFFAOYSA-N 0 0 338.794 4.849 50 0 EJAARN COc1cccc(N[C@@H]2c3ccccc3C(=O)N2c2ccccc2C)c1 ZINC000004918482 210324148 /nfs/dbraw/zinc/32/41/48/210324148.db2.gz UKGROLIPKJFDJM-NRFANRHFSA-N 0 0 344.414 4.775 50 0 EJAARN CSc1cccc(N[C@@H]2c3ccccc3C(=O)N2c2cccnc2)c1 ZINC000004917911 210323184 /nfs/dbraw/zinc/32/31/84/210323184.db2.gz REHDSSSOMIOGKC-IBGZPJMESA-N 0 0 347.443 4.575 50 0 EJAARN CCOC(=O)c1c(C)n(C)c2cc(-c3ccc(CC)cc3)c(O)cc21 ZINC000003491329 208559368 /nfs/dbraw/zinc/55/93/68/208559368.db2.gz PNAZVTGRGHRSFH-UHFFFAOYSA-N 0 0 337.419 4.598 50 0 EJAARN Cc1cc(C(=O)CSc2nc3ccccc3o2)c(C)n1C1CC1 ZINC000003503831 208561606 /nfs/dbraw/zinc/56/16/06/208561606.db2.gz POKLZMQOHOBZQR-UHFFFAOYSA-N 0 0 326.421 4.556 50 0 EJAARN C[C@H]1CCCCN1C(=O)c1ccc2c(c1)nc1c(c2Cl)CCCC1 ZINC000004940249 210331760 /nfs/dbraw/zinc/33/17/60/210331760.db2.gz RILNMKDNNLQBOD-ZDUSSCGKSA-N 0 0 342.870 4.782 50 0 EJAARN COc1cc2c(cc1NC(=O)COc1ccccc1)oc1ccccc12 ZINC000003515473 208564427 /nfs/dbraw/zinc/56/44/27/208564427.db2.gz YAJWMOJNVVXCOK-UHFFFAOYSA-N 0 0 347.370 4.612 50 0 EJAARN Cc1ccc(N[C@@H]2c3ccccc3C(=O)N2c2cccnc2)c(Cl)c1 ZINC000004917681 210322615 /nfs/dbraw/zinc/32/26/15/210322615.db2.gz OQQYTWSYQORQPQ-IBGZPJMESA-N 0 0 349.821 4.815 50 0 EJAARN Cc1ccc(N2C(=O)c3ccccc3[C@@H]2Nc2ccc(C)cc2C)nc1 ZINC000004916684 210322449 /nfs/dbraw/zinc/32/24/49/210322449.db2.gz SSCJORPAHBQWAJ-OAQYLSRUSA-N 0 0 343.430 4.778 50 0 EJAARN CSc1cccc(N[C@@H]2c3ccccc3C(=O)N2c2ccccn2)c1 ZINC000004916143 210321910 /nfs/dbraw/zinc/32/19/10/210321910.db2.gz OFVYMIUHLVGCTP-IBGZPJMESA-N 0 0 347.443 4.575 50 0 EJAARN COc1ccc(Cl)cc1[C@H]1CC(=O)Nc2c3ccccc3ccc21 ZINC000004911603 210321510 /nfs/dbraw/zinc/32/15/10/210321510.db2.gz DGLNIYHTMUWARP-INIZCTEOSA-N 0 0 337.806 4.976 50 0 EJAARN CCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(C)cc2C)C1 ZINC000004902996 210317985 /nfs/dbraw/zinc/31/79/85/210317985.db2.gz QBNQHIWYGINERX-KRWDZBQOSA-N 0 0 347.462 4.584 50 0 EJAARN Cc1ccc(CCNC(=O)c2cc3c(o2)c2ccccc2nc3C)cc1 ZINC000004902682 210317544 /nfs/dbraw/zinc/31/75/44/210317544.db2.gz JHWWMTFNGQSKPD-UHFFFAOYSA-N 0 0 344.414 4.570 50 0 EJAARN CCn1c(/C=C/c2ccc(Cl)cc2Cl)nc2ccccc2c1=O ZINC000004899257 210316647 /nfs/dbraw/zinc/31/66/47/210316647.db2.gz GPCWFPOBSPAGFJ-CSKARUKUSA-N 0 0 345.229 4.894 50 0 EJAARN CC1CCC2(CC1)N=C(c1ccc(Cl)cc1Cl)C(=S)N2 ZINC000004891217 210313770 /nfs/dbraw/zinc/31/37/70/210313770.db2.gz BZPSPAHBFNTLGD-UHFFFAOYSA-N 0 0 327.280 4.620 50 0 EJAARN Cc1ccc(C(=O)N2C(=S)C(c3ccccc3)=NC23CCCC3)cc1 ZINC000004891846 210312686 /nfs/dbraw/zinc/31/26/86/210312686.db2.gz CCVCDSMXDSBZHW-UHFFFAOYSA-N 0 0 348.471 4.538 50 0 EJAARN Cc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2ccccc2F)cc1 ZINC000004854552 210302572 /nfs/dbraw/zinc/30/25/72/210302572.db2.gz UWFRKLNHOQECQN-FQEVSTJZSA-N 0 0 349.409 4.573 50 0 EJAARN O=c1oc2cc(OCc3ccccc3Cl)ccc2c2c1CCCC2 ZINC000004853513 210300383 /nfs/dbraw/zinc/30/03/83/210300383.db2.gz HAZMZKQLSLJMNY-UHFFFAOYSA-N 0 0 340.806 4.904 50 0 EJAARN COc1ccc([C@H](CC(=O)NCc2ccccc2)c2ccccc2)cc1 ZINC000004844868 210297722 /nfs/dbraw/zinc/29/77/22/210297722.db2.gz MMTOZKCNWITSRH-JOCHJYFZSA-N 0 0 345.442 4.534 50 0 EJAARN CCc1ccc(C(=O)Nc2c(C)cc(Br)cc2C)cc1 ZINC000004868718 210308015 /nfs/dbraw/zinc/30/80/15/210308015.db2.gz LGSGBPFEGNTXLM-UHFFFAOYSA-N 0 0 332.241 4.881 50 0 EJAARN CCCCNC(=S)Nc1ccc(Nc2ccc(OC)cc2)cc1 ZINC000004867824 210307352 /nfs/dbraw/zinc/30/73/52/210307352.db2.gz XLDFFFLAAHLUSA-UHFFFAOYSA-N 0 0 329.469 4.525 50 0 EJAARN COc1ccc(Nc2nc(-c3ccc(OC)cc3)c(C)s2)cc1 ZINC000004867771 210306983 /nfs/dbraw/zinc/30/69/83/210306983.db2.gz VQRIPFYNNHXVPI-UHFFFAOYSA-N 0 0 326.421 4.879 50 0 EJAARN COc1ccc([C@@H](c2ccc(C)o2)c2ccc(OC)c(OC)c2)cc1 ZINC000004860783 210305459 /nfs/dbraw/zinc/30/54/59/210305459.db2.gz ZMTNHIWTYNXBAI-OAQYLSRUSA-N 0 0 338.403 4.794 50 0 EJAARN Cc1[nH]c2ccc(C)cc2c1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000004815478 210285461 /nfs/dbraw/zinc/28/54/61/210285461.db2.gz VAMAAEBWCOGVHU-UHFFFAOYSA-N 0 0 346.352 4.985 50 0 EJAARN c1ccc2sc(CSCc3nnc(C4CC4)n3C3CC3)nc2c1 ZINC000097370351 219016015 /nfs/dbraw/zinc/01/60/15/219016015.db2.gz CPVNWMWHQSFKRU-UHFFFAOYSA-N 0 0 342.493 4.534 50 0 EJAARN O=C(N1CCC(Cc2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000004836844 210292972 /nfs/dbraw/zinc/29/29/72/210292972.db2.gz ZFXHSAIBQASUIG-UHFFFAOYSA-N 0 0 337.507 4.684 50 0 EJAARN Cc1nn(-c2cccc(Cl)c2)c2nc(C)cc(C(F)(F)F)c12 ZINC000004828254 210291065 /nfs/dbraw/zinc/29/10/65/210291065.db2.gz JXWJHKGILYIBNU-UHFFFAOYSA-N 0 0 325.721 4.710 50 0 EJAARN CC[C@@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000004821355 210288140 /nfs/dbraw/zinc/28/81/40/210288140.db2.gz PSAPAZYEQRVNIW-HRAATJIYSA-N 0 0 337.463 4.600 50 0 EJAARN Cc1cc(C)cc(-c2nnc3sc(/C=C\c4ccccc4)nn32)c1 ZINC000097475142 219028912 /nfs/dbraw/zinc/02/89/12/219028912.db2.gz MCIHKKWSCGLQFL-HJWRWDBZSA-N 0 0 332.432 4.640 50 0 EJAARN CSC(=S)OC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000004800713 210280234 /nfs/dbraw/zinc/28/02/34/210280234.db2.gz LTSLAZXKVXHJBF-KAMYHZANSA-N 0 0 326.486 4.948 50 0 EJAARN O=C(c1cccnc1-c1ccccc1-c1ccccc1)N1CCCC1 ZINC000097568932 219035313 /nfs/dbraw/zinc/03/53/13/219035313.db2.gz YHJYETINCCVCAB-UHFFFAOYSA-N 0 0 328.415 4.652 50 0 EJAARN CCCCCC[P@](=O)(OC)Oc1ccc2c(C)cc(=O)oc2c1 ZINC000116453307 220964117 /nfs/dbraw/zinc/96/41/17/220964117.db2.gz UDTZADITECBVLJ-QHCPKHFHSA-N 0 0 338.340 4.900 50 0 EJAARN COc1ccc(N[C@H](C)C(=O)Nc2ccccc2C(C)C)cc1Cl ZINC000028875736 257836025 /nfs/dbraw/zinc/83/60/25/257836025.db2.gz IRWVEBJVMYHPPD-CYBMUJFWSA-N 0 0 346.858 4.911 50 0 EJAARN CCOc1ccc2c(c1)occ(-c1ccc(Br)cc1)c2=O ZINC000000465507 258003069 /nfs/dbraw/zinc/00/30/69/258003069.db2.gz XCSJGPLVLDHYPQ-UHFFFAOYSA-N 0 0 345.192 4.621 50 0 biogenic EJAARN CCc1ccc2oc(C(=O)NCc3cc(F)ccc3C)c(C)c2c1 ZINC000334163030 258015920 /nfs/dbraw/zinc/01/59/20/258015920.db2.gz UTCNFDRDWPKYCP-UHFFFAOYSA-N 0 0 325.383 4.681 50 0 EJAARN O=C(CSc1ccc2ccccc2n1)Nc1cccc2cccnc21 ZINC000334161063 258016105 /nfs/dbraw/zinc/01/61/05/258016105.db2.gz RXAKGQUISRFITA-UHFFFAOYSA-N 0 0 345.427 4.514 50 0 EJAARN CCC[C@@H]1COCCN1C(=O)c1cccc(-c2ccc(Cl)cc2)c1 ZINC000299773368 258085187 /nfs/dbraw/zinc/08/51/87/258085187.db2.gz GBSBCOFRTKCIFY-LJQANCHMSA-N 0 0 343.854 4.648 50 0 EJAARN Cc1ccc2ccccc2c1NC(=O)N(C)CCC[C@@H]1CCCO1 ZINC000299802002 258105026 /nfs/dbraw/zinc/10/50/26/258105026.db2.gz ZVBUIEUSIUBKBA-QGZVFWFLSA-N 0 0 326.440 4.571 50 0 EJAARN CC(=O)Nc1cccc(NC(=O)c2sc3ccccc3c2Cl)c1 ZINC000000465849 258048569 /nfs/dbraw/zinc/04/85/69/258048569.db2.gz HUPZQVDYHNEZQO-UHFFFAOYSA-N 0 0 344.823 4.765 50 0 EJAARN CC(C)Oc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000003353874 258050532 /nfs/dbraw/zinc/05/05/32/258050532.db2.gz GKYWNVUVIBRJHW-UHFFFAOYSA-N 0 0 345.442 4.993 50 0 EJAARN CCOc1ccc([C@@H](C)NC(=O)c2cccc(C)c2C)cc1OCC ZINC000003353130 258050546 /nfs/dbraw/zinc/05/05/46/258050546.db2.gz KYHNKLLQEMMXRL-MRXNPFEDSA-N 0 0 341.451 4.592 50 0 EJAARN Cc1ccc(-c2csc3ncnc(NCc4ccccn4)c23)cc1 ZINC000006131363 258051780 /nfs/dbraw/zinc/05/17/80/258051780.db2.gz JZBUVSQMZBERPX-UHFFFAOYSA-N 0 0 332.432 4.674 50 0 EJAARN Cc1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c(C)c1 ZINC000008747960 258053778 /nfs/dbraw/zinc/05/37/78/258053778.db2.gz LYQYBXZRJRUXPL-UHFFFAOYSA-N 0 0 338.382 4.669 50 0 EJAARN Cc1c2cc(Cl)ccc2oc1C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000012877953 258055502 /nfs/dbraw/zinc/05/55/02/258055502.db2.gz DWXLSHAULFKGHA-JTQLQIEISA-N 0 0 345.748 4.809 50 0 EJAARN CCCn1c2ccccc2nc1NC(=O)c1cc(C)n(C(C)C)c1C ZINC000021597573 258056921 /nfs/dbraw/zinc/05/69/21/258056921.db2.gz WFUGWXPCSRRXLM-UHFFFAOYSA-N 0 0 338.455 4.698 50 0 EJAARN Cc1c(-c2ccc(Cl)cc2)nn2c1nc(C)cc2NCC(C)C ZINC000040217035 258059683 /nfs/dbraw/zinc/05/96/83/258059683.db2.gz IBAHTZHPBLXLIH-UHFFFAOYSA-N 0 0 328.847 4.734 50 0 EJAARN CCc1cnc(CNc2ccc(Cl)cc2[C@H](O)c2ccccc2)o1 ZINC000095414877 258066822 /nfs/dbraw/zinc/06/68/22/258066822.db2.gz VXDYZXBACFKGSM-LJQANCHMSA-N 0 0 342.826 4.584 50 0 EJAARN CCc1cnc(CNc2ccc(Cl)cc2[C@@H](O)c2ccccc2)o1 ZINC000095414878 258066844 /nfs/dbraw/zinc/06/68/44/258066844.db2.gz VXDYZXBACFKGSM-IBGZPJMESA-N 0 0 342.826 4.584 50 0 EJAARN CCCc1cc(=O)n2nc(-c3ccccc3)c(-c3ccccc3)c2[nH]1 ZINC000102800744 258069493 /nfs/dbraw/zinc/06/94/93/258069493.db2.gz HHKATKSUHFDUTO-UHFFFAOYSA-N 0 0 329.403 4.721 50 0 EJAARN Cc1ccc(-c2cccc(C(=O)N(C)[C@@H](c3ccccn3)C3CC3)c2)o1 ZINC000215997150 258072289 /nfs/dbraw/zinc/07/22/89/258072289.db2.gz BDOSLZVRQAMRFR-OAQYLSRUSA-N 0 0 346.430 4.873 50 0 EJAARN CCc1ccc(NC(=O)[C@H](C)Sc2ccccc2C(C)=O)cc1 ZINC000225793604 258072832 /nfs/dbraw/zinc/07/28/32/258072832.db2.gz DDCGAKPAUJZOBB-AWEZNQCLSA-N 0 0 327.449 4.571 50 0 EJAARN CCCC[C@@H]1CCCN1C(=O)c1cccc(-c2ccc(F)cc2O)c1 ZINC000299762406 258079780 /nfs/dbraw/zinc/07/97/80/258079780.db2.gz VWRCSYKUZSJRRR-GOSISDBHSA-N 0 0 341.426 4.993 50 0 EJAARN Cc1cccc(N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1C ZINC000055542930 132195804 /nfs/dbraw/zinc/19/58/04/132195804.db2.gz FTIXSBKMULWAMS-UHFFFAOYSA-N 0 0 349.305 4.932 50 0 EJAARN Cc1ccc(N2C(=O)c3ccccc3/C(=C\c3ccsc3)C2=O)cc1 ZINC000037189605 132392481 /nfs/dbraw/zinc/39/24/81/132392481.db2.gz QBSCPSGTGZFXRI-XDHOZWIPSA-N 0 0 345.423 4.784 50 0 EJAARN Fc1cccc(C=C2CCN(c3ncnc4sccc43)CC2)c1 ZINC000040135321 132398778 /nfs/dbraw/zinc/39/87/78/132398778.db2.gz URUCSHJWWCGKHE-UHFFFAOYSA-N 0 0 325.412 4.514 50 0 EJAARN Cc1c(-c2cccc(Cl)c2)nn2c1nc(C)cc2N1CCCCC1 ZINC000040216682 132399278 /nfs/dbraw/zinc/39/92/78/132399278.db2.gz RHQHNOFQVDBODW-UHFFFAOYSA-N 0 0 340.858 4.657 50 0 EJAARN Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(Cl)c1 ZINC000000858496 135653701 /nfs/dbraw/zinc/65/37/01/135653701.db2.gz PCOJGQKTTFCXHD-UHFFFAOYSA-N 0 0 328.843 4.891 50 0 EJAARN C[C@H](Nc1ccc2ccccc2c1)C(=O)N1CCCc2ccccc21 ZINC000003345690 135660223 /nfs/dbraw/zinc/66/02/23/135660223.db2.gz FKLWSSXQNBXMRA-INIZCTEOSA-N 0 0 330.431 4.620 50 0 EJAARN CC[C@H]1CN(C(=O)Nc2cccc(Cl)c2C)c2ccccc2O1 ZINC000006844763 135677948 /nfs/dbraw/zinc/67/79/48/135677948.db2.gz OPPBCBUCFMZDEI-ZDUSSCGKSA-N 0 0 330.815 4.858 50 0 EJAARN C[C@H]1CCCN(c2ncnc3scc(-c4ccc(F)cc4)c32)C1 ZINC000009527727 135687255 /nfs/dbraw/zinc/68/72/55/135687255.db2.gz DCHLYAXZTNRTOK-LBPRGKRZSA-N 0 0 327.428 4.734 50 0 EJAARN Cc1cccc(NC(=O)CCCN2CCSc3ccccc32)c1C ZINC000015862767 135708686 /nfs/dbraw/zinc/70/86/86/135708686.db2.gz PZHDGCLSRKIEKE-UHFFFAOYSA-N 0 0 340.492 4.634 50 0 EJAARN Cc1cccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)n1 ZINC000016362437 135709708 /nfs/dbraw/zinc/70/97/08/135709708.db2.gz LUELTAGZOVCPFA-IBGZPJMESA-N 0 0 349.821 4.815 50 0 EJAARN COCCc1ccccc1NC(=O)CCc1ccc(C(C)C)cc1 ZINC000170604637 226648563 /nfs/dbraw/zinc/64/85/63/226648563.db2.gz RXTZKXATXZTSNS-UHFFFAOYSA-N 0 0 325.452 4.570 50 0 EJAARN C[C@H](NC(=O)CSc1cc(F)ccc1F)c1cc2ccccc2o1 ZINC000007755799 262519916 /nfs/dbraw/zinc/51/99/16/262519916.db2.gz XNBUYGRHYYTNNO-NSHDSACASA-N 0 0 347.386 4.681 50 0 EJAARN Cc1nn(-c2ccccc2)c2nc(OCc3cccc(F)c3)cc(C)c12 ZINC000045995252 518193557 /nfs/dbraw/zinc/19/35/57/518193557.db2.gz XFKPFXFWGYGXGN-UHFFFAOYSA-N 0 0 347.393 4.755 50 0 EJAARN O[C@H](c1cc2ccccc2s1)c1cc(Br)ccc1F ZINC000131188406 534435964 /nfs/dbraw/zinc/43/59/64/534435964.db2.gz BUUJMMYEBTVSHQ-HNNXBMFYSA-N 0 0 337.213 4.885 50 0 EJAARN CC(=O)O[C@@H]1C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)C1=O ZINC000257345568 534779733 /nfs/dbraw/zinc/77/97/33/534779733.db2.gz BQNVVPPVBZECMC-SXOPZADCSA-N 0 0 332.484 4.530 50 0 EJAARN CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC(=O)[C@]4(C)[C@@H]3CC[C@]21C ZINC000253497969 534779981 /nfs/dbraw/zinc/77/99/81/534779981.db2.gz VRKZRMXFPPHWKJ-BQBAGJLHSA-N 0 0 332.484 4.530 50 0 EJAARN Cc1ccc(Cl)cc1N1C(=O)c2ccc3c4c(ccc(c42)C1=O)CC3 ZINC000000064371 524730617 /nfs/dbraw/zinc/73/06/17/524730617.db2.gz VZBWLEPWGBUVSP-UHFFFAOYSA-N 0 0 347.801 4.701 50 0 EJAARN C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccco1 ZINC000000027293 524931917 /nfs/dbraw/zinc/93/19/17/524931917.db2.gz YGELMAGAUGHTDT-YJBOKZPZSA-N 0 0 332.403 4.872 50 0 EJAARN C[C@H](c1nnc(-c2ccccc2)o1)N1CCC[C@H]1c1ccsc1 ZINC000252077335 526187317 /nfs/dbraw/zinc/18/73/17/526187317.db2.gz DFNQUPKLYPIEHV-CJNGLKHVSA-N 0 0 325.437 4.696 50 0 EJAARN CC(C)(C)OCc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)no1 ZINC000170597904 526558196 /nfs/dbraw/zinc/55/81/96/526558196.db2.gz OFJTXYXHZFPLQS-UHFFFAOYSA-N 0 0 330.428 4.540 50 0 EJAARN FC(F)(F)c1ccc(CSc2nccc(-c3cccnc3)n2)cc1 ZINC000000172391 527683220 /nfs/dbraw/zinc/68/32/20/527683220.db2.gz AYSWNBSFCMADOL-UHFFFAOYSA-N 0 0 347.365 4.850 50 0 EJAARN CCc1ccccc1NC(=O)N1C[C@H](C)Oc2ccc(Cl)cc21 ZINC000006842902 535954817 /nfs/dbraw/zinc/95/48/17/535954817.db2.gz OPJOPKNSDSFTKS-LBPRGKRZSA-N 0 0 330.815 4.722 50 0 EJAARN CCc1cc(=O)oc2c1ccc1c2CN(c2ccc(C(C)C)cc2)CO1 ZINC000000490810 536095517 /nfs/dbraw/zinc/09/55/17/536095517.db2.gz PONKEDDQHNBUIS-UHFFFAOYSA-N 0 0 349.430 4.835 50 0 biogenic EJAARN CC(C)(C)OC(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000016697228 563821443 /nfs/dbraw/zinc/82/14/43/563821443.db2.gz UEOHLUHRQWYQRT-UHFFFAOYSA-N 0 0 340.261 4.564 50 0 EJAARN Cc1ccccc1NC(=O)N[C@H](C)c1ccccc1Br ZINC000043135500 563850306 /nfs/dbraw/zinc/85/03/06/563850306.db2.gz WZGFAHIJGHZYCT-GFCCVEGCSA-N 0 0 333.229 4.640 50 0 EJAARN Cc1nc(C(F)(F)F)ccc1NC(=O)Nc1ccccc1Cl ZINC000044676314 563926507 /nfs/dbraw/zinc/92/65/07/563926507.db2.gz OPGSIJFJSRTIKK-UHFFFAOYSA-N 0 0 329.709 4.706 50 0 EJAARN O=C1CS[C@@H](c2ccc(F)cc2)N1c1cc(Cl)cc(Cl)c1 ZINC000000423742 563998343 /nfs/dbraw/zinc/99/83/43/563998343.db2.gz VVPGDNPCQMRBOH-HNNXBMFYSA-N 0 0 342.222 4.911 50 0 EJAARN Cc1ccc(NC(=O)/C=C/c2ccc(F)cc2)c(Br)c1 ZINC000000460622 564012667 /nfs/dbraw/zinc/01/26/67/564012667.db2.gz OSJWXADQRNJGKA-WEVVVXLNSA-N 0 0 334.188 4.549 50 0 EJAARN CC(C)Nc1nc(Sc2ccc(F)cc2)cc(C(F)(F)F)n1 ZINC000001396733 564064890 /nfs/dbraw/zinc/06/48/90/564064890.db2.gz XVLOPIYTXQPYOP-UHFFFAOYSA-N 0 0 331.338 4.606 50 0 EJAARN CSc1cccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000006152575 564076848 /nfs/dbraw/zinc/07/68/48/564076848.db2.gz DABGYMFAPHGFSJ-UHFFFAOYSA-N 0 0 326.248 4.897 50 0 EJAARN C[C@H](Nc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000007382637 564107586 /nfs/dbraw/zinc/10/75/86/564107586.db2.gz VKLISGCIRZOVJM-VIFPVBQESA-N 0 0 327.186 4.572 50 0 EJAARN CCCCSc1nnc(SCc2ccc(OC)cc2)s1 ZINC000057930459 564156567 /nfs/dbraw/zinc/15/65/67/564156567.db2.gz ZPSFXNZXORCAJL-UHFFFAOYSA-N 0 0 326.512 4.731 50 0 EJAARN Cc1cc(Br)ccc1NC(=O)C[C@H](C)c1ccccc1 ZINC000000302929 563276388 /nfs/dbraw/zinc/27/63/88/563276388.db2.gz DQFGBZSOBZBSAE-LBPRGKRZSA-N 0 0 332.241 4.890 50 0 EJAARN Cc1cc(Nc2ccccc2)n(-c2ccc(Br)cc2)n1 ZINC000000432555 563311436 /nfs/dbraw/zinc/31/14/36/563311436.db2.gz SZLWGBFNRNZZGW-UHFFFAOYSA-N 0 0 328.213 4.687 50 0 EJAARN O=C1C[C@H](c2ccccc2Br)Sc2ccccc2N1 ZINC000000481204 563336412 /nfs/dbraw/zinc/33/64/12/563336412.db2.gz BQMQTZXFGICBGL-CQSZACIVSA-N 0 0 334.238 4.625 50 0 EJAARN C[C@@H](Nc1ncnc2[nH]c(-c3ccc(O)cc3)cc21)c1ccccc1 ZINC000000023255 563211452 /nfs/dbraw/zinc/21/14/52/563211452.db2.gz XRYJULCDUUATMC-CYBMUJFWSA-N 0 0 330.391 4.504 50 0 in-man EJAARN O=C(Nc1ccc(Cl)cc1)c1ccccc1NCc1ccncc1 ZINC000000008732 563211466 /nfs/dbraw/zinc/21/14/66/563211466.db2.gz GGPZCOONYBPZEW-UHFFFAOYSA-N 0 0 337.810 4.599 50 0 in-vivo EJAARN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(Cl)cn1 ZINC000000032547 563211791 /nfs/dbraw/zinc/21/17/91/563211791.db2.gz HFLTUVXXRINURA-UHFFFAOYSA-N 0 0 344.842 4.800 50 0 EJAARN COc1ccc(C(C)=O)cc1CSc1nc2cc(Cl)ccc2o1 ZINC000000032626 563211795 /nfs/dbraw/zinc/21/17/95/563211795.db2.gz PRFVQULPQIEXCV-UHFFFAOYSA-N 0 0 347.823 4.985 50 0 EJAARN Cc1cc2c(cc1C)[C@H](c1ccccc1Br)CC(=O)N2 ZINC000000036492 563212111 /nfs/dbraw/zinc/21/21/11/563212111.db2.gz ZRSOAWXIGBKGNZ-ZDUSSCGKSA-N 0 0 330.225 4.540 50 0 EJAARN Cc1ccccc1OCC(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000000038366 563212287 /nfs/dbraw/zinc/21/22/87/563212287.db2.gz CSAKPDAUAYJLDY-UHFFFAOYSA-N 0 0 332.403 4.756 50 0 EJAARN O=C(COC(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)cc1 ZINC000000072781 563216108 /nfs/dbraw/zinc/21/61/08/563216108.db2.gz SNMHVLVQWDCNTF-UHFFFAOYSA-N 0 0 343.593 4.687 50 0 EJAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1F ZINC000000072712 563216193 /nfs/dbraw/zinc/21/61/93/563216193.db2.gz CQOFBJNXZBYDAO-UHFFFAOYSA-N 0 0 332.334 4.886 50 0 EJAARN Cc1ccccc1N(C(=O)Nc1ccccc1)C1=NC[C@@H](C)S1 ZINC000000086433 563220478 /nfs/dbraw/zinc/22/04/78/563220478.db2.gz SZUGYPKWIFIKEC-CQSZACIVSA-N 0 0 325.437 4.525 50 0 EJAARN CCOC(=O)c1c(N)scc1-c1ccc(Cc2ccccc2)cc1 ZINC000000087319 563220765 /nfs/dbraw/zinc/22/07/65/563220765.db2.gz YOSVOBKZGCNEMZ-UHFFFAOYSA-N 0 0 337.444 4.765 50 0 EJAARN c1nc2ccccc2n1-c1ncnc2scc(-c3ccccc3)c21 ZINC000000087801 563221141 /nfs/dbraw/zinc/22/11/41/563221141.db2.gz DCPZLSOQZXTVSZ-UHFFFAOYSA-N 0 0 328.400 4.697 50 0 EJAARN CC(=O)CSc1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC000000087764 563221165 /nfs/dbraw/zinc/22/11/65/563221165.db2.gz BKDPDQWETMHVNA-UHFFFAOYSA-N 0 0 334.853 4.693 50 0 EJAARN COC(=O)c1sc2ccccc2c1OC(=O)c1ccccc1Cl ZINC000000090536 563222091 /nfs/dbraw/zinc/22/20/91/563222091.db2.gz VHDLDUXWVVATNG-UHFFFAOYSA-N 0 0 346.791 4.561 50 0 EJAARN O=C(/C=C/c1ccccc1)Nc1cccnc1Oc1ccccc1F ZINC000000093384 563223130 /nfs/dbraw/zinc/22/31/30/563223130.db2.gz NDIQUDOVPTXAKB-OUKQBFOZSA-N 0 0 334.350 4.665 50 0 EJAARN O=C(/C=C/c1ccccc1)Nc1cccnc1Oc1ccc(F)cc1 ZINC000000093393 563223189 /nfs/dbraw/zinc/22/31/89/563223189.db2.gz OOSAYORJOOGOHV-MDWZMJQESA-N 0 0 334.350 4.665 50 0 EJAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(Oc3cccnc3)nc2)cc1 ZINC000000092701 563223207 /nfs/dbraw/zinc/22/32/07/563223207.db2.gz MVTVYHFGARENKA-UHFFFAOYSA-N 0 0 347.418 4.819 50 0 EJAARN COc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1OC ZINC000000097531 563224543 /nfs/dbraw/zinc/22/45/43/563224543.db2.gz NQRLMOOOVVZDBY-UHFFFAOYSA-N 0 0 347.823 4.824 50 0 EJAARN CC(C)CCn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O ZINC000000098514 563224954 /nfs/dbraw/zinc/22/49/54/563224954.db2.gz RZELURPJKWAUIQ-UHFFFAOYSA-N 0 0 332.856 4.825 50 0 EJAARN CCOC(=O)c1cnc2ccccc2c1Nc1ccc(OCC)cc1 ZINC000000098396 563224970 /nfs/dbraw/zinc/22/49/70/563224970.db2.gz KABBCYNLZSKLOF-UHFFFAOYSA-N 0 0 336.391 4.554 50 0 EJAARN C[C@@H]1CCc2c(sc3ncn4c(nnc4C4CCCCC4)c23)C1 ZINC000000098626 563225355 /nfs/dbraw/zinc/22/53/55/563225355.db2.gz OVQSTBBQVMKGFM-LLVKDONJSA-N 0 0 326.469 4.512 50 0 EJAARN Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc(F)c2)cc1 ZINC000000104547 563227123 /nfs/dbraw/zinc/22/71/23/563227123.db2.gz AXRCKONAGUYKOX-HXUWFJFHSA-N 0 0 332.378 4.905 50 0 EJAARN CC1(C)C(=O)C2(CCCCC2)C(=O)O[C@H]1c1ccc(F)cc1Cl ZINC000000111956 563229932 /nfs/dbraw/zinc/22/99/32/563229932.db2.gz MNBCWUARJKSYPG-AWEZNQCLSA-N 0 0 338.806 4.623 50 0 EJAARN CCSc1nc2ccccc2n1CCOc1ccc(Cl)cc1 ZINC000000112347 563230530 /nfs/dbraw/zinc/23/05/30/563230530.db2.gz LRLVRGBJYNSZDG-UHFFFAOYSA-N 0 0 332.856 4.881 50 0 EJAARN CCCc1ccc(-c2nc(-c3ccc(C(F)(F)F)cn3)no2)cc1 ZINC000000114129 563231168 /nfs/dbraw/zinc/23/11/68/563231168.db2.gz QJOPFWLVTIQFEW-UHFFFAOYSA-N 0 0 333.313 4.770 50 0 EJAARN Cc1ccc(OCc2ccc(C(=O)N(C)C3CCCCC3)o2)cc1C ZINC000000115412 563231837 /nfs/dbraw/zinc/23/18/37/563231837.db2.gz KLPZNVJWXDYAAO-UHFFFAOYSA-N 0 0 341.451 4.880 50 0 EJAARN CCc1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1 ZINC000000116536 563232110 /nfs/dbraw/zinc/23/21/10/563232110.db2.gz LGORELYOSJJFKT-UHFFFAOYSA-N 0 0 331.415 4.934 50 0 EJAARN CCOC(=O)c1sc(COc2ccc(C(C)(C)C)cc2)nc1C ZINC000000120707 563234049 /nfs/dbraw/zinc/23/40/49/563234049.db2.gz LPACAMROIDJVQQ-UHFFFAOYSA-N 0 0 333.453 4.505 50 0 EJAARN Cn1nc(C(C)(C)C)cc1C(=O)Sc1cccc(C(F)(F)F)c1 ZINC000000122043 563235088 /nfs/dbraw/zinc/23/50/88/563235088.db2.gz LXKREMJNDBQFNM-UHFFFAOYSA-N 0 0 342.386 4.669 50 0 EJAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cccs1 ZINC000000122473 563235128 /nfs/dbraw/zinc/23/51/28/563235128.db2.gz XMQFPLSOGQPDIO-UHFFFAOYSA-N 0 0 335.388 4.512 50 0 EJAARN CC(=O)c1ccc(OCc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000000124101 563235862 /nfs/dbraw/zinc/23/58/62/563235862.db2.gz UPMQDLLEXARUQJ-UHFFFAOYSA-N 0 0 329.705 4.535 50 0 EJAARN CSc1sc(C(=O)Nc2ccc(F)cc2F)c2c1C=CCC2 ZINC000000125531 563236530 /nfs/dbraw/zinc/23/65/30/563236530.db2.gz XJRRZCQQPATWBW-UHFFFAOYSA-N 0 0 337.416 4.960 50 0 EJAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CC ZINC000000132107 563238813 /nfs/dbraw/zinc/23/88/13/563238813.db2.gz VICDQOVEOGSZGR-UHFFFAOYSA-N 0 0 337.828 4.594 50 0 EJAARN Cc1ccc(C)c(OCC(=O)Nc2ccc(Cl)cc2Cl)c1C ZINC000000132026 563238815 /nfs/dbraw/zinc/23/88/15/563238815.db2.gz KSQIUWQPYPFJMV-UHFFFAOYSA-N 0 0 338.234 4.936 50 0 EJAARN Cc1ccc(C(C)(C)C)c(OCC(=O)Nc2cccc(Cl)c2)c1 ZINC000000133539 563239393 /nfs/dbraw/zinc/23/93/93/563239393.db2.gz WNGRPZCGVXHPQN-UHFFFAOYSA-N 0 0 331.843 4.963 50 0 EJAARN CCOc1ccccc1NC(=O)COc1cc(C)ccc1C(C)(C)C ZINC000000133525 563239399 /nfs/dbraw/zinc/23/93/99/563239399.db2.gz VNFADVOEQDLYTK-UHFFFAOYSA-N 0 0 341.451 4.709 50 0 EJAARN O=C1C(Nc2ccccc2)=C[C@@H](c2ccccc2)N1c1ccccc1 ZINC000000134174 563239837 /nfs/dbraw/zinc/23/98/37/563239837.db2.gz QIBLHYFLABKMHD-NRFANRHFSA-N 0 0 326.399 4.771 50 0 EJAARN O=C(Cc1ccccc1)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000000134153 563239896 /nfs/dbraw/zinc/23/98/96/563239896.db2.gz MVCNUTBZWFDVNT-UHFFFAOYSA-N 0 0 342.851 4.569 50 0 EJAARN Fc1cc(CSc2nc3ccccc3s2)c2c(c1)COCO2 ZINC000000140579 563241993 /nfs/dbraw/zinc/24/19/93/563241993.db2.gz RRVVTCHVWYAGJI-UHFFFAOYSA-N 0 0 333.409 4.594 50 0 EJAARN O=C(NCC[C@H]1CC1(Cl)Cl)Nc1ccc(Cl)cc1Cl ZINC000000142206 563242544 /nfs/dbraw/zinc/24/25/44/563242544.db2.gz YXUKJPWWNDXVOT-ZETCQYMHSA-N 0 0 342.053 4.699 50 0 EJAARN Cc1c(-c2cc[nH]n2)cnn1-c1c(Cl)cc(Cl)cc1Cl ZINC000000141977 563242589 /nfs/dbraw/zinc/24/25/89/563242589.db2.gz TXEVPVJJMGIDOE-UHFFFAOYSA-N 0 0 327.602 4.531 50 0 EJAARN CC(C)Oc1ccc(NC(=O)COc2ccccc2C(C)C)cc1 ZINC000000144465 563243659 /nfs/dbraw/zinc/24/36/59/563243659.db2.gz KFQBDFBFBFKIOU-UHFFFAOYSA-N 0 0 327.424 4.615 50 0 EJAARN CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1cccc(O)c1 ZINC000000144807 563243963 /nfs/dbraw/zinc/24/39/63/563243963.db2.gz IWLFVBSFPFHJKB-UHFFFAOYSA-N 0 0 342.782 4.514 50 0 EJAARN O=C(Nc1ccccc1C(F)(F)F)c1ccc(Br)cc1 ZINC000000146655 563244481 /nfs/dbraw/zinc/24/44/81/563244481.db2.gz KSMHIZURHCWMKF-UHFFFAOYSA-N 0 0 344.130 4.720 50 0 EJAARN O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)Nc1ccccc1 ZINC000000146340 563244506 /nfs/dbraw/zinc/24/45/06/563244506.db2.gz XXPSQSWBJGWDDJ-UHFFFAOYSA-N 0 0 331.347 4.732 50 0 EJAARN O=C(Nc1nnc(C2CC2)s1)c1sc2ccccc2c1Cl ZINC000000147183 563244858 /nfs/dbraw/zinc/24/48/58/563244858.db2.gz GIYPHFAOEBLBMT-UHFFFAOYSA-N 0 0 335.841 4.536 50 0 EJAARN CCc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000000150809 563246120 /nfs/dbraw/zinc/24/61/20/563246120.db2.gz ZSAQXEKXWDNWKD-CQSZACIVSA-N 0 0 331.843 4.925 50 0 EJAARN O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1Cl ZINC000000155357 563247390 /nfs/dbraw/zinc/24/73/90/563247390.db2.gz LDUVCTYMNXWGNL-UHFFFAOYSA-N 0 0 332.806 4.722 50 0 EJAARN O=C1c2ccccc2N(c2ccccc2)C(=O)[C@@]1(Cl)c1ccccc1 ZINC000000158169 563248485 /nfs/dbraw/zinc/24/84/85/563248485.db2.gz HTCLTGCKIYITMX-OAQYLSRUSA-N 0 0 347.801 4.682 50 0 EJAARN Cc1cccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1 ZINC000000172789 563252036 /nfs/dbraw/zinc/25/20/36/563252036.db2.gz UAYGMMQQFWOIHU-UHFFFAOYSA-N 0 0 336.416 4.561 50 0 EJAARN Cc1cccc(NC(=O)CSc2nc3ccccc3s2)c1C ZINC000000175941 563252685 /nfs/dbraw/zinc/25/26/85/563252685.db2.gz LEQPJRNZCGTVFF-UHFFFAOYSA-N 0 0 328.462 4.644 50 0 EJAARN COc1ccc2c(Cl)c(C(=O)N3CCCCC3)sc2c1Cl ZINC000000176141 563252943 /nfs/dbraw/zinc/25/29/43/563252943.db2.gz VGSJPIMJNWUOAI-UHFFFAOYSA-N 0 0 344.263 4.843 50 0 EJAARN COc1cccc(C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)c1 ZINC000000181520 563254136 /nfs/dbraw/zinc/25/41/36/563254136.db2.gz NVFMRWYOPLHUDM-UHFFFAOYSA-N 0 0 344.370 4.756 50 0 EJAARN COc1ccc(C)cc1NC(=O)C1c2ccccc2Oc2ccccc21 ZINC000000181821 563254440 /nfs/dbraw/zinc/25/44/40/563254440.db2.gz OAXYEXHNRMMVRX-UHFFFAOYSA-N 0 0 345.398 4.880 50 0 EJAARN Cc1ccc(CNC(=O)C2c3ccccc3Oc3ccccc32)cc1 ZINC000000182642 563254766 /nfs/dbraw/zinc/25/47/66/563254766.db2.gz OALHCRBYIUYDHE-UHFFFAOYSA-N 0 0 329.399 4.549 50 0 EJAARN COc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1C ZINC000000189955 563256253 /nfs/dbraw/zinc/25/62/53/563256253.db2.gz BKZCTYKIGSVIDR-UHFFFAOYSA-N 0 0 334.293 4.796 50 0 EJAARN O=C1C(Nc2ccccc2)=C[C@H](c2cccc(F)c2)N1c1ccccc1 ZINC000000191510 563256647 /nfs/dbraw/zinc/25/66/47/563256647.db2.gz MAPYSZNNGNHTEB-OAQYLSRUSA-N 0 0 344.389 4.910 50 0 EJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1csc2c1CCCC2 ZINC000000194906 563257259 /nfs/dbraw/zinc/25/72/59/563257259.db2.gz OUYRMXYZJVSFQQ-UHFFFAOYSA-N 0 0 325.355 4.898 50 0 EJAARN C[C@@H]1CCCN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)C1 ZINC000000194953 563257674 /nfs/dbraw/zinc/25/76/74/563257674.db2.gz UXTFMAAQXOVMCR-VQIMIIECSA-N 0 0 325.477 4.779 50 0 EJAARN C[C@H]1CCCN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)C1 ZINC000000194951 563257676 /nfs/dbraw/zinc/25/76/76/563257676.db2.gz UXTFMAAQXOVMCR-QFBILLFUSA-N 0 0 325.477 4.779 50 0 EJAARN Cc1ccc(C)c(NC[C@H](O)Cn2c3ccccc3c3ccccc32)c1 ZINC000000197439 563257928 /nfs/dbraw/zinc/25/79/28/563257928.db2.gz RBEZTICRJDPDEY-SFHVURJKSA-N 0 0 344.458 4.884 50 0 EJAARN O=C(Nc1cc(Cl)ccc1Cl)c1ccc(Br)o1 ZINC000000198796 563258416 /nfs/dbraw/zinc/25/84/16/563258416.db2.gz JFPKGYFXFUEYSU-UHFFFAOYSA-N 0 0 334.984 4.601 50 0 EJAARN O=C(Nc1ncccc1Cl)C1c2ccccc2Oc2ccccc21 ZINC000000204761 563259364 /nfs/dbraw/zinc/25/93/64/563259364.db2.gz QJBTUXJKWPQGIA-UHFFFAOYSA-N 0 0 336.778 4.611 50 0 EJAARN c1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 ZINC000000221598 563262682 /nfs/dbraw/zinc/26/26/82/563262682.db2.gz ANYBMXYKWKYTSX-UHFFFAOYSA-N 0 0 344.443 4.622 50 0 EJAARN Cc1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000000242488 563265313 /nfs/dbraw/zinc/26/53/13/563265313.db2.gz CNVCCFAYQTVEHY-UHFFFAOYSA-N 0 0 329.465 4.844 50 0 EJAARN COc1ccc(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000000253015 563266836 /nfs/dbraw/zinc/26/68/36/563266836.db2.gz NBXVZHYBXWHZIS-UHFFFAOYSA-N 0 0 344.625 4.837 50 0 biogenic EJAARN Cc1cc(NC(=O)c2ccccc2F)ccc1NC(=O)c1ccccc1 ZINC000000259745 563268070 /nfs/dbraw/zinc/26/80/70/563268070.db2.gz IQYXLTSCDGADJD-UHFFFAOYSA-N 0 0 348.377 4.639 50 0 EJAARN O=C(/C=C/c1ccccc1)Nc1cccc(-c2nc3ncccc3o2)c1 ZINC000000277207 563271059 /nfs/dbraw/zinc/27/10/59/563271059.db2.gz WVGKCDCZXFAJHV-VAWYXSNFSA-N 0 0 341.370 4.542 50 0 EJAARN COc1ccc(-c2ccccc2)cc1NCc1ccc2c(c1)OCO2 ZINC000000280550 563271841 /nfs/dbraw/zinc/27/18/41/563271841.db2.gz VLDRRWZZRDFCHO-UHFFFAOYSA-N 0 0 333.387 4.703 50 0 EJAARN CCOc1ccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 ZINC000000281605 563271940 /nfs/dbraw/zinc/27/19/40/563271940.db2.gz MUDZOKOVPFZEDL-LBPRGKRZSA-N 0 0 335.856 4.858 50 0 EJAARN CC(=O)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000000287672 563273015 /nfs/dbraw/zinc/27/30/15/563273015.db2.gz KURWYDCTSVJLFJ-UHFFFAOYSA-N 0 0 329.399 4.660 50 0 EJAARN Clc1ccccc1-c1nnc(-c2ccccc2Br)o1 ZINC000000296042 563274703 /nfs/dbraw/zinc/27/47/03/563274703.db2.gz ANMKKVSWWFVLAG-UHFFFAOYSA-N 0 0 335.588 4.820 50 0 EJAARN Cc1cc(C)c(C(=O)c2ccc(C(=O)NC3CCCCC3)cc2)c(C)c1 ZINC000000296376 563274649 /nfs/dbraw/zinc/27/46/49/563274649.db2.gz GAWQHFUSYUKMLU-UHFFFAOYSA-N 0 0 349.474 4.905 50 0 EJAARN Clc1ccccc1-c1noc(-c2ccccc2Br)n1 ZINC000000296022 563274659 /nfs/dbraw/zinc/27/46/59/563274659.db2.gz ZCHQEQBYZBCIAI-UHFFFAOYSA-N 0 0 335.588 4.820 50 0 EJAARN CCOc1ccc(/C=C/C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000000302439 563276104 /nfs/dbraw/zinc/27/61/04/563276104.db2.gz LSUZLCWJBWGXKW-FMIVXFBMSA-N 0 0 335.325 4.756 50 0 EJAARN COc1ccc(Cl)cc1NC(=O)c1cccc(Cl)c1Cl ZINC000000308437 563278856 /nfs/dbraw/zinc/27/88/56/563278856.db2.gz CJICLIXISOZMKH-UHFFFAOYSA-N 0 0 330.598 4.908 50 0 EJAARN Cn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1 ZINC000000309933 563280204 /nfs/dbraw/zinc/28/02/04/563280204.db2.gz GVAAQTDSZVPWMS-UHFFFAOYSA-N 0 0 349.381 4.793 50 0 EJAARN O=C(Nc1ccc(OCc2ccccc2Cl)cc1)c1cccnc1 ZINC000000312318 563281332 /nfs/dbraw/zinc/28/13/32/563281332.db2.gz UEYDVDUXSSZWGB-UHFFFAOYSA-N 0 0 338.794 4.566 50 0 EJAARN O=C(CCC1CCCCC1)Nc1ccc(Br)cc1F ZINC000000311908 563281359 /nfs/dbraw/zinc/28/13/59/563281359.db2.gz WQJKRTWVZBYBRA-UHFFFAOYSA-N 0 0 328.225 4.887 50 0 EJAARN O=C(CSc1nc2cc(Cl)ccc2s1)OCc1ccccc1 ZINC000000312627 563281698 /nfs/dbraw/zinc/28/16/98/563281698.db2.gz IPRPSOFAINYPRI-UHFFFAOYSA-N 0 0 349.864 4.785 50 0 EJAARN CCc1cc(=O)oc2cc(OCc3cccc(F)c3)c(Cl)cc12 ZINC000000317104 563283025 /nfs/dbraw/zinc/28/30/25/563283025.db2.gz KRJPFXCSHVLROK-UHFFFAOYSA-N 0 0 332.758 4.727 50 0 EJAARN O=C(Cc1ccc(F)cc1)Nc1ccc(OCc2ccccc2)cc1 ZINC000000318047 563283722 /nfs/dbraw/zinc/28/37/22/563283722.db2.gz LSCCXLKGIYZWDD-UHFFFAOYSA-N 0 0 335.378 4.586 50 0 EJAARN Cc1ccc2c(c1)CN(C)c1c(cc(C=O)c3ccccc31)CN2C ZINC000000336986 563285603 /nfs/dbraw/zinc/28/56/03/563285603.db2.gz STFOICRWVHGMMF-UHFFFAOYSA-N 0 0 330.431 4.547 50 0 EJAARN c1ccc(N2[C@H]3Sc4ncccc4[C@@H]2Sc2ncccc23)cc1 ZINC000000344328 563287348 /nfs/dbraw/zinc/28/73/48/563287348.db2.gz RLVYHVVWFIJYPG-ROUUACIJSA-N 0 0 335.457 4.892 50 0 EJAARN c1ccc(N2[C@@H]3Sc4ncccc4[C@H]2Sc2ncccc23)cc1 ZINC000000344325 563287356 /nfs/dbraw/zinc/28/73/56/563287356.db2.gz RLVYHVVWFIJYPG-QZTJIDSGSA-N 0 0 335.457 4.892 50 0 EJAARN Cc1c2cc(C)c(C)cc2oc1C(=O)Nc1nnc(C(C)C)s1 ZINC000000353028 563290477 /nfs/dbraw/zinc/29/04/77/563290477.db2.gz INUYADNBMVHHFB-UHFFFAOYSA-N 0 0 329.425 4.585 50 0 EJAARN CC[C@H]1CCc2c(sc(NC(=O)C3CCC3)c2C(=O)OC(C)C)C1 ZINC000000355889 563291152 /nfs/dbraw/zinc/29/11/52/563291152.db2.gz ONRBBKQSJMDFNA-LBPRGKRZSA-N 0 0 349.496 4.567 50 0 EJAARN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccccc1F ZINC000000359536 563292543 /nfs/dbraw/zinc/29/25/43/563292543.db2.gz PXEMFIVXKDSANI-UHFFFAOYSA-N 0 0 327.399 4.891 50 0 EJAARN O=C(/C=C/c1ccccc1)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000000359413 563292626 /nfs/dbraw/zinc/29/26/26/563292626.db2.gz ONHRMIFSXPGLGO-MDWZMJQESA-N 0 0 348.427 4.652 50 0 EJAARN Cc1cccc(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c1 ZINC000000363667 563295034 /nfs/dbraw/zinc/29/50/34/563295034.db2.gz ILPWLUNJJUKVIU-KRWDZBQOSA-N 0 0 343.426 4.968 50 0 EJAARN Cc1cccc(Cl)c1NC(=O)COc1ccc2ccccc2c1 ZINC000000364150 563295391 /nfs/dbraw/zinc/29/53/91/563295391.db2.gz XKUXHHHTNILCNG-UHFFFAOYSA-N 0 0 325.795 4.819 50 0 EJAARN CC(C)Cc1ccc([C@@H](C)C(=O)Nc2cc(Cl)ccc2O)cc1 ZINC000000365187 563296193 /nfs/dbraw/zinc/29/61/93/563296193.db2.gz JHTULMNKLFLNTH-CYBMUJFWSA-N 0 0 331.843 4.986 50 0 EJAARN CCOc1ccc(-c2nc3ccc(Cl)cc3c(=O)o2)cc1Cl ZINC000000367784 563296786 /nfs/dbraw/zinc/29/67/86/563296786.db2.gz JCNQYNPJIBNFSP-UHFFFAOYSA-N 0 0 336.174 4.561 50 0 EJAARN CC[C@H](C(=O)Nc1ccccc1NC(=O)c1ccco1)c1ccccc1 ZINC000000367914 563297315 /nfs/dbraw/zinc/29/73/15/563297315.db2.gz UTDKDTBADHFDLJ-INIZCTEOSA-N 0 0 348.402 4.664 50 0 EJAARN COc1cc(NC(=O)Nc2ccc(Cl)cc2)c(OC)cc1Cl ZINC000000369416 563297458 /nfs/dbraw/zinc/29/74/58/563297458.db2.gz MGAGNRIHWBQDIC-UHFFFAOYSA-N 0 0 341.194 4.655 50 0 EJAARN O=C(NCc1ccc(Cl)c(Cl)c1)Nc1cccc(Cl)c1 ZINC000000371210 563297461 /nfs/dbraw/zinc/29/74/61/563297461.db2.gz PUFZJMOSOPYWQG-UHFFFAOYSA-N 0 0 329.614 4.969 50 0 EJAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C1CCC1 ZINC000000371590 563297747 /nfs/dbraw/zinc/29/77/47/563297747.db2.gz HRVQQFVSQYWFOT-UHFFFAOYSA-N 0 0 343.448 4.639 50 0 EJAARN O=Cc1ccc(COc2ccc3cc(Br)ccc3c2)o1 ZINC000000373426 563298043 /nfs/dbraw/zinc/29/80/43/563298043.db2.gz PAHMLEYFTPPIPW-UHFFFAOYSA-N 0 0 331.165 4.587 50 0 EJAARN O=Cc1cn(-c2nc3ccc(Cl)cc3s2)nc1-c1ccccc1 ZINC000000384500 563301284 /nfs/dbraw/zinc/30/12/84/563301284.db2.gz MITQMLCEPJLPEZ-UHFFFAOYSA-N 0 0 339.807 4.615 50 0 EJAARN O=C(Nc1ccc2ccccc2c1)c1cc(F)c(Cl)nc1Cl ZINC000000385091 563301485 /nfs/dbraw/zinc/30/14/85/563301485.db2.gz HYTJQJXAKNACLW-UHFFFAOYSA-N 0 0 335.165 4.933 50 0 EJAARN CCOc1cc(Cl)c(NC(=O)c2ccc(CC)cc2)cc1OCC ZINC000000387922 563303831 /nfs/dbraw/zinc/30/38/31/563303831.db2.gz LBXUUUAVBRJWMS-UHFFFAOYSA-N 0 0 347.842 4.952 50 0 EJAARN CC(C)(C)c1cc(Cn2nnc3ccccc32)cc(C(C)(C)C)c1O ZINC000000392162 563304197 /nfs/dbraw/zinc/30/41/97/563304197.db2.gz GWSPSHZOUXLFPN-UHFFFAOYSA-N 0 0 337.467 4.780 50 0 EJAARN Cc1ccc(C(=O)c2ccccc2)c(NC(=O)NC2CCCCC2)c1 ZINC000000395831 563304844 /nfs/dbraw/zinc/30/48/44/563304844.db2.gz CCIFRWSUSJNBOE-UHFFFAOYSA-N 0 0 336.435 4.680 50 0 EJAARN Cc1cccc(NC(=O)Oc2cc(C)c(Br)cc2C)c1 ZINC000000399306 563305604 /nfs/dbraw/zinc/30/56/04/563305604.db2.gz XHITWGYMUQFDRS-UHFFFAOYSA-N 0 0 334.213 4.985 50 0 EJAARN COc1ccc(Cl)cc1NC(=O)Nc1cc(C)ccc1Cl ZINC000000399713 563305612 /nfs/dbraw/zinc/30/56/12/563305612.db2.gz BVUMDNXENGOPSA-UHFFFAOYSA-N 0 0 325.195 4.954 50 0 EJAARN O=C(Nc1ccc(Cl)cc1)c1cc2c(cc1O)[nH]c1ccccc12 ZINC000000400127 563305844 /nfs/dbraw/zinc/30/58/44/563305844.db2.gz PPLNRTPNYCWODC-UHFFFAOYSA-N 0 0 336.778 4.932 50 0 EJAARN COc1ccc([C@H](CC(=O)c2ccccc2)[C@@H]2CCCCC2=O)cc1 ZINC000000401106 563305926 /nfs/dbraw/zinc/30/59/26/563305926.db2.gz ZHCIBQAOOXEWGW-PMACEKPBSA-N 0 0 336.431 4.811 50 0 EJAARN Cc1cc(=O)oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc12 ZINC000000407123 563306953 /nfs/dbraw/zinc/30/69/53/563306953.db2.gz YVPPHPPXHOKIKN-UHFFFAOYSA-N 0 0 335.186 4.987 50 0 EJAARN Cc1ccc2nc(-c3ccccc3O)c(NCc3ccccc3)n2c1 ZINC000000413713 563308329 /nfs/dbraw/zinc/30/83/29/563308329.db2.gz SAGVDSVANBABRR-UHFFFAOYSA-N 0 0 329.403 4.627 50 0 EJAARN COc1ccccc1-c1cc(C(=O)Nc2cccc(Cl)c2C)no1 ZINC000000423727 563309368 /nfs/dbraw/zinc/30/93/68/563309368.db2.gz IDSMTTJOCAKBCC-UHFFFAOYSA-N 0 0 342.782 4.564 50 0 EJAARN O=C1C[C@H](c2ccc(Cl)cc2Cl)c2cc3c(cc2N1)CCC3 ZINC000000427628 563310765 /nfs/dbraw/zinc/31/07/65/563310765.db2.gz XMOXNUZQOSJZDI-CQSZACIVSA-N 0 0 332.230 4.956 50 0 EJAARN CC(C)Nc1nc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000000435149 563312641 /nfs/dbraw/zinc/31/26/41/563312641.db2.gz OAVMYWUQSMSXHI-UHFFFAOYSA-N 0 0 342.240 4.880 50 0 EJAARN Cc1ccc2nc(C)c3c(c2c1)O[C@@H]([C@@](C)(Cl)Br)C3 ZINC000000436073 563312835 /nfs/dbraw/zinc/31/28/35/563312835.db2.gz XAIFIFDYGKGPIJ-UKRRQHHQSA-N 0 0 340.648 4.505 50 0 EJAARN Cc1cccc2c3c(c(C)nc12)C[C@@H]([C@](C)(Cl)Br)O3 ZINC000000435932 563312871 /nfs/dbraw/zinc/31/28/71/563312871.db2.gz LLWGIJULDDXRNP-WFASDCNBSA-N 0 0 340.648 4.505 50 0 EJAARN Cc1ccc(C(=O)N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000000439711 563313473 /nfs/dbraw/zinc/31/34/73/563313473.db2.gz IKHVSGMIKQDULJ-QFIPXVFZSA-N 0 0 340.426 4.987 50 0 EJAARN COc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1OC ZINC000000443268 563315134 /nfs/dbraw/zinc/31/51/34/563315134.db2.gz DVJJJUHTLZOGPL-UHFFFAOYSA-N 0 0 349.386 4.748 50 0 EJAARN O=C(CCSc1ccccc1)Nc1ccccc1Br ZINC000000443561 563315390 /nfs/dbraw/zinc/31/53/90/563315390.db2.gz QNGINKGIODXBQU-UHFFFAOYSA-N 0 0 336.254 4.570 50 0 EJAARN CSc1nc2ccc(NC(=O)/C=C/c3ccccc3)cc2s1 ZINC000000446970 563317763 /nfs/dbraw/zinc/31/77/63/563317763.db2.gz CAVKJXHEUXQUKS-JXMROGBWSA-N 0 0 326.446 4.670 50 0 EJAARN CC(C)COc1ccc(C(=O)Nc2ccc(Br)cc2)cc1 ZINC000000447793 563318020 /nfs/dbraw/zinc/31/80/20/563318020.db2.gz QOYKWQKRMGYQLD-UHFFFAOYSA-N 0 0 348.240 4.736 50 0 EJAARN COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=S)cc1 ZINC000000448773 563318465 /nfs/dbraw/zinc/31/84/65/563318465.db2.gz WDFIXHNCOCDOIZ-RVDMUPIBSA-N 0 0 343.498 4.902 50 0 EJAARN Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000000449667 563318609 /nfs/dbraw/zinc/31/86/09/563318609.db2.gz HPLZCKUATZZSES-UHFFFAOYSA-N 0 0 343.732 4.685 50 0 EJAARN CCOc1cc(C=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000000450610 563319798 /nfs/dbraw/zinc/31/97/98/563319798.db2.gz HAMYAKCLICPDBS-UHFFFAOYSA-N 0 0 325.191 4.784 50 0 EJAARN CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1 ZINC000000451115 563320284 /nfs/dbraw/zinc/32/02/84/563320284.db2.gz PGSXFFZTHCPQED-GFCCVEGCSA-N 0 0 346.883 4.980 50 0 EJAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)cc1F ZINC000000451768 563320732 /nfs/dbraw/zinc/32/07/32/563320732.db2.gz YMVOIPRVJHVHDF-MRVPVSSYSA-N 0 0 346.160 4.678 50 0 EJAARN C[C@H]1CCc2c(sc3nc(-c4ccccc4Cl)oc(=O)c32)C1 ZINC000000453365 563322001 /nfs/dbraw/zinc/32/20/01/563322001.db2.gz FVTOJLCKLLWKLY-VIFPVBQESA-N 0 0 331.824 4.695 50 0 EJAARN Cc1ccc(NC(=S)NC(=O)c2cc3ccccc3o2)cc1Cl ZINC000000454035 563322631 /nfs/dbraw/zinc/32/26/31/563322631.db2.gz PMJJVNVOKRWCTH-UHFFFAOYSA-N 0 0 344.823 4.521 50 0 EJAARN Cc1ccccc1-c1cc(=O)oc(-c2ccc(Cl)cc2Cl)n1 ZINC000000456837 563324646 /nfs/dbraw/zinc/32/46/46/563324646.db2.gz KZBANUNUNDRFDA-UHFFFAOYSA-N 0 0 332.186 4.984 50 0 EJAARN Cc1ccc(C(=O)[C@H](OC(=O)c2ccco2)c2ccccc2)cc1C ZINC000000462034 563326757 /nfs/dbraw/zinc/32/67/57/563326757.db2.gz SZYHEISUPZRUGS-HXUWFJFHSA-N 0 0 334.371 4.677 50 0 EJAARN COc1ccccc1Cn1c(Cc2ccccc2)nc2ccccc21 ZINC000000462564 563327268 /nfs/dbraw/zinc/32/72/68/563327268.db2.gz NOHKVICCEWMVFE-UHFFFAOYSA-N 0 0 328.415 4.684 50 0 EJAARN Cc1ccc(C)c(NC(=S)N2CCC(Cc3ccccc3)CC2)c1 ZINC000000467668 563329022 /nfs/dbraw/zinc/32/90/22/563329022.db2.gz BNELKQHKRZQYCK-UHFFFAOYSA-N 0 0 338.520 4.955 50 0 EJAARN C[C@H]1Oc2ccccc2O[C@H]1C(=O)N(c1ccccc1)c1ccccc1 ZINC000000468690 563330088 /nfs/dbraw/zinc/33/00/88/563330088.db2.gz UFUHJAURAOIODI-IIBYNOLFSA-N 0 0 345.398 4.580 50 0 EJAARN CC(C)CN(CC(C)C)C(=O)COc1ccc(Cl)cc1Cl ZINC000000473317 563332547 /nfs/dbraw/zinc/33/25/47/563332547.db2.gz HFVOHWUBUXMXFW-UHFFFAOYSA-N 0 0 332.271 4.513 50 0 EJAARN CC(C)OC(=O)c1sc2cc(Br)ccc2c1Cl ZINC000000474412 563333174 /nfs/dbraw/zinc/33/31/74/563333174.db2.gz XSCJABVVQXSVGS-UHFFFAOYSA-N 0 0 333.634 4.882 50 0 EJAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000000475026 563333534 /nfs/dbraw/zinc/33/35/34/563333534.db2.gz LQNKCMODUIRGHU-JKSUJKDBSA-N 0 0 345.870 4.553 50 0 EJAARN O=C(/C=C/c1ccc(F)cc1)Nc1nc2ccc(Cl)cc2s1 ZINC000000475581 563333849 /nfs/dbraw/zinc/33/38/49/563333849.db2.gz GGKRGFXRZVAUNX-FPYGCLRLSA-N 0 0 332.787 4.741 50 0 EJAARN CN(C(=O)c1cccc2ccccc21)c1nnc(-c2ccccc2)s1 ZINC000000476017 563334148 /nfs/dbraw/zinc/33/41/48/563334148.db2.gz PXHROHQPZJGGMK-UHFFFAOYSA-N 0 0 345.427 4.635 50 0 EJAARN C[C@@H](CCc1ccccc1)NC(=O)/C=C/c1c(F)cccc1Cl ZINC000000476489 563334448 /nfs/dbraw/zinc/33/44/48/563334448.db2.gz GMWHDGRCVUGDSJ-FNDVETGQSA-N 0 0 331.818 4.630 50 0 EJAARN O=C(C[C@@H](c1ccccc1)c1cc(Cl)ccc1O)N1CCCCC1 ZINC000000480383 563336027 /nfs/dbraw/zinc/33/60/27/563336027.db2.gz RSWFYOXWURZZEV-KRWDZBQOSA-N 0 0 343.854 4.580 50 0 EJAARN CC(C)NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1 ZINC000000481033 563336466 /nfs/dbraw/zinc/33/64/66/563336466.db2.gz FTIAWIALCSKDTH-NRFANRHFSA-N 0 0 345.446 4.500 50 0 EJAARN Cc1ccc(C(=O)Nc2cccc(OCC(=O)c3ccccc3)c2)cc1 ZINC000000482482 563337136 /nfs/dbraw/zinc/33/71/36/563337136.db2.gz OMXHXCFYZSEGTD-UHFFFAOYSA-N 0 0 345.398 4.509 50 0 EJAARN Cc1ccc(/C=C/C(=O)Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000000483884 563337800 /nfs/dbraw/zinc/33/78/00/563337800.db2.gz KBULCLYFYBHTBI-RMKNXTFCSA-N 0 0 328.824 4.910 50 0 EJAARN Cc1nn2c(nc(C(F)(F)F)cc2C(F)(F)F)c1-c1ccccc1 ZINC000000507626 563339244 /nfs/dbraw/zinc/33/92/44/563339244.db2.gz HSACGBSUFJBCLK-UHFFFAOYSA-N 0 0 345.246 4.742 50 0 EJAARN CCc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000000514279 563339973 /nfs/dbraw/zinc/33/99/73/563339973.db2.gz LKWCWQDEROXDSL-UHFFFAOYSA-N 0 0 337.444 4.717 50 0 EJAARN COc1ccc2c(c1)N(C(=O)NC1CCCCC1)C(C)(C)C[C@@H]2C ZINC000000528589 563341738 /nfs/dbraw/zinc/34/17/38/563341738.db2.gz MCTHDOCIKHEIJZ-AWEZNQCLSA-N 0 0 330.472 4.830 50 0 EJAARN O=C(Nc1ccccc1)c1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000000558412 563346812 /nfs/dbraw/zinc/34/68/12/563346812.db2.gz PQKNWPQMWJGMKC-UHFFFAOYSA-N 0 0 341.366 4.712 50 0 EJAARN O=C(Nc1ccccc1N1CCCC1)c1ccc(Cl)cc1Cl ZINC000000572060 563350107 /nfs/dbraw/zinc/35/01/07/563350107.db2.gz PVMDJOVYGCDIPX-UHFFFAOYSA-N 0 0 335.234 4.846 50 0 EJAARN COC(=O)c1ccc(CSc2ccc(Br)cc2)cc1 ZINC000000608926 563352445 /nfs/dbraw/zinc/35/24/45/563352445.db2.gz HORBEFSNODEUME-UHFFFAOYSA-N 0 0 337.238 4.528 50 0 EJAARN Cc1ccc(C(=O)Nc2c(C)cc(Br)cc2C)c(C)c1 ZINC000000588441 563352179 /nfs/dbraw/zinc/35/21/79/563352179.db2.gz NAQCMFAJGAVTIH-UHFFFAOYSA-N 0 0 332.241 4.935 50 0 EJAARN Cc1cc(C)cc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)c1 ZINC000000588405 563352203 /nfs/dbraw/zinc/35/22/03/563352203.db2.gz QJSZYAKHRIHGPI-UHFFFAOYSA-N 0 0 343.386 4.759 50 0 EJAARN C[C@H](Sc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1 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O=C(Cc1cccc2ccccc21)NCc1cccc2ccccc21 ZINC000001049826 563370524 /nfs/dbraw/zinc/37/05/24/563370524.db2.gz XNCAJICTTJZNHY-UHFFFAOYSA-N 0 0 325.411 4.852 50 0 EJAARN Cc1ccc(-c2nc(-c3cccc(Br)c3)no2)cc1C ZINC000001064083 563372493 /nfs/dbraw/zinc/37/24/93/563372493.db2.gz QPRORAHXDBTKOZ-UHFFFAOYSA-N 0 0 329.197 4.783 50 0 EJAARN c1ccc(CCc2ccccc2-c2nc(-c3ccccn3)no2)cc1 ZINC000001064731 563372564 /nfs/dbraw/zinc/37/25/64/563372564.db2.gz QEOUCCFXGFECGP-UHFFFAOYSA-N 0 0 327.387 4.584 50 0 EJAARN CCOc1cccc(C(=O)Nc2ccccc2N2CCC(C)CC2)c1 ZINC000001115793 563375101 /nfs/dbraw/zinc/37/51/01/563375101.db2.gz VNLAKMCHJVERRQ-UHFFFAOYSA-N 0 0 338.451 4.574 50 0 EJAARN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCCc2ccccc21 ZINC000001125641 563375596 /nfs/dbraw/zinc/37/55/96/563375596.db2.gz AWSRIYFUCPJMGS-INIZCTEOSA-N 0 0 337.463 4.731 50 0 EJAARN Cc1ccc(NC(=O)Nc2ccc(F)cc2F)c(OC(F)F)c1 ZINC000001122010 563375615 /nfs/dbraw/zinc/37/56/15/563375615.db2.gz ZNQDIRRWCMWISP-UHFFFAOYSA-N 0 0 328.265 4.519 50 0 EJAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Oc2ccccc2)cc1 ZINC000001165256 563376961 /nfs/dbraw/zinc/37/69/61/563376961.db2.gz NXAUYLAIDOVJHO-UHFFFAOYSA-N 0 0 347.370 4.502 50 0 EJAARN CCCc1sc(NC(=O)c2ccco2)nc1-c1ccc(C)cc1 ZINC000001186545 563378187 /nfs/dbraw/zinc/37/81/87/563378187.db2.gz GPHHPIBSUMEBKZ-UHFFFAOYSA-N 0 0 326.421 4.916 50 0 EJAARN CCC(=O)Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1 ZINC000001204160 563379183 /nfs/dbraw/zinc/37/91/83/563379183.db2.gz SMQIEACREQXTRO-UHFFFAOYSA-N 0 0 345.196 4.606 50 0 EJAARN O=C(NC1C2CC3CC(C2)CC1C3)C(c1ccccc1)c1ccccc1 ZINC000001218893 563379878 /nfs/dbraw/zinc/37/98/78/563379878.db2.gz AGQZIOXQNCFNNY-UHFFFAOYSA-N 0 0 345.486 4.759 50 0 EJAARN O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000001234716 563380555 /nfs/dbraw/zinc/38/05/55/563380555.db2.gz KHDFIBIXXCAAKP-NHCUHLMSSA-N 0 0 327.427 4.696 50 0 EJAARN O=c1c2c(-c3ccccc3)csc2[nH]c(=S)n1-c1ccccc1 ZINC000001293763 563382395 /nfs/dbraw/zinc/38/23/95/563382395.db2.gz JWFKCKHXCWRVDN-UHFFFAOYSA-N 0 0 336.441 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BHJYAIKXIIXHJD-UHFFFAOYSA-N 0 0 338.835 4.534 50 0 EJAARN Cc1ccc(S(=O)(=O)Oc2cc(Cl)ccc2Cl)c(C)c1C ZINC000002835325 563453631 /nfs/dbraw/zinc/45/36/31/563453631.db2.gz DARUDTBXIJBVRJ-UHFFFAOYSA-N 0 0 345.247 4.686 50 0 EJAARN COc1ccc(C(=O)OC(c2ccccc2)c2ccccc2)cc1OC ZINC000002835095 563453643 /nfs/dbraw/zinc/45/36/43/563453643.db2.gz HJMSBOCJTVURML-UHFFFAOYSA-N 0 0 348.398 4.650 50 0 EJAARN COC(=O)c1ccccc1OC(=O)c1sc2ccccc2c1Cl ZINC000002834395 563453707 /nfs/dbraw/zinc/45/37/07/563453707.db2.gz VWCLQZYFILSWAW-UHFFFAOYSA-N 0 0 346.791 4.561 50 0 EJAARN CCCCOc1cccc(OCCCC)c1C(=O)Nc1cc(C)on1 ZINC000002861354 563457072 /nfs/dbraw/zinc/45/70/72/563457072.db2.gz RVPRJTOEUWYJDA-UHFFFAOYSA-N 0 0 346.427 4.593 50 0 EJAARN O=C(Cc1ccccc1)Nc1nc2c(ccc(Cl)c2Cl)s1 ZINC000002862447 563457096 /nfs/dbraw/zinc/45/70/96/563457096.db2.gz GTWMMXMWNWTZFS-UHFFFAOYSA-N 0 0 337.231 4.784 50 0 EJAARN Cc1ccccc1-c1cc(C(=O)n2cccn2)c2cc(Cl)ccc2n1 ZINC000002867572 563458368 /nfs/dbraw/zinc/45/83/68/563458368.db2.gz 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563508678 /nfs/dbraw/zinc/50/86/78/563508678.db2.gz LHPBOMYVTSUGKA-UHFFFAOYSA-N 0 0 340.341 4.952 50 0 EJAARN O=C(CSc1ccccn1)N(C1CCCCC1)C1CCCCC1 ZINC000004747771 563510051 /nfs/dbraw/zinc/51/00/51/563510051.db2.gz QNOFDTDSJGJELB-UHFFFAOYSA-N 0 0 332.513 4.668 50 0 EJAARN CCCc1cc(=O)oc2cc(C)cc(OC(=O)c3ccc(C)cc3)c12 ZINC000004810423 563511621 /nfs/dbraw/zinc/51/16/21/563511621.db2.gz DZXVSWODRCCZCA-UHFFFAOYSA-N 0 0 336.387 4.582 50 0 EJAARN CC(=O)c1cccc(OCCCCOc2cccc3cccnc32)c1 ZINC000004842369 563513059 /nfs/dbraw/zinc/51/30/59/563513059.db2.gz SGDORZXQTIZZBS-UHFFFAOYSA-N 0 0 335.403 4.675 50 0 EJAARN O=C(c1ccccc1Cl)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000004850811 563513598 /nfs/dbraw/zinc/51/35/98/563513598.db2.gz ZASVVESFIMIFRX-HNNXBMFYSA-N 0 0 340.766 4.518 50 0 EJAARN CC1CCN(c2ccccc2NC(=O)c2cc3ccccc3o2)CC1 ZINC000004998905 563518186 /nfs/dbraw/zinc/51/81/86/563518186.db2.gz NPNQFLZQGZLOBC-UHFFFAOYSA-N 0 0 334.419 4.921 50 0 EJAARN Cc1ccc(N[C@H](c2ccc(O)cc2)[P@]2(=O)OCC[C@H](C)O2)cc1 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Clc1ccc(-c2nnc3sc(-c4ccccc4Cl)nn32)cc1 ZINC000006593488 563573960 /nfs/dbraw/zinc/57/39/60/563573960.db2.gz NSWHAOFYNJDXPR-UHFFFAOYSA-N 0 0 347.230 4.827 50 0 EJAARN Cc1noc(C)c1CCC(=O)N1CCCCC[C@H]1c1cccc(C)c1 ZINC000071910505 563574722 /nfs/dbraw/zinc/57/47/22/563574722.db2.gz KKUDYCSLMFDSLF-FQEVSTJZSA-N 0 0 340.467 4.676 50 0 EJAARN COc1cccc(-c2ccnc3c(-c4ccc(F)cc4)c(C)nn32)c1 ZINC000006661329 563576674 /nfs/dbraw/zinc/57/66/74/563576674.db2.gz JCXVXEIQOAAAMO-UHFFFAOYSA-N 0 0 333.366 4.519 50 0 EJAARN CCCC(=O)Nc1ccccc1NC(=O)c1ccccc1SCC ZINC000006697174 563578264 /nfs/dbraw/zinc/57/82/64/563578264.db2.gz YFSRLWOHAXELLH-UHFFFAOYSA-N 0 0 342.464 4.790 50 0 EJAARN CCc1ccc(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1 ZINC000006701727 563580105 /nfs/dbraw/zinc/58/01/05/563580105.db2.gz WTIQBRWCTABPHL-UHFFFAOYSA-N 0 0 348.402 4.655 50 0 EJAARN O=C(Nc1ccc(-c2nnc(-c3ccco3)o2)cc1)C1CCCCC1 ZINC000006703259 563580833 /nfs/dbraw/zinc/58/08/33/563580833.db2.gz YJJZBEIICQCERE-UHFFFAOYSA-N 0 0 337.379 4.515 50 0 EJAARN Cc1ccnc(SCc2csc(-c3ccccc3Cl)n2)n1 ZINC000006741672 563584165 /nfs/dbraw/zinc/58/41/65/563584165.db2.gz MWGDFJQPOJRUBD-UHFFFAOYSA-N 0 0 333.869 4.854 50 0 EJAARN CCC[C@@H](NC(=O)c1c(C)onc1CC)C12CC3CC(CC(C3)C1)C2 ZINC000006757525 563585680 /nfs/dbraw/zinc/58/56/80/563585680.db2.gz JAKNXTFTAAJWBV-DIKOGFFKSA-N 0 0 344.499 4.660 50 0 EJAARN Cc1ccc(C)c(NC(=O)N2CCC(c3c[nH]c4ncccc34)CC2)c1 ZINC000071911675 563588153 /nfs/dbraw/zinc/58/81/53/563588153.db2.gz ULABNWKJPBUMAG-UHFFFAOYSA-N 0 0 348.450 4.591 50 0 EJAARN Nc1c(Cl)ccc(C(=O)Nc2cccc(C(F)F)c2)c1Cl ZINC000225558012 563596676 /nfs/dbraw/zinc/59/66/76/563596676.db2.gz QSMRWTVXNJGDFQ-UHFFFAOYSA-N 0 0 331.149 4.766 50 0 EJAARN O=C(Nc1ccccc1F)c1ccc(CSc2ccccc2)o1 ZINC000002708419 563603568 /nfs/dbraw/zinc/60/35/68/563603568.db2.gz WDAABQTUGUWDEI-UHFFFAOYSA-N 0 0 327.380 4.963 50 0 EJAARN Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(Cl)s2)cc1 ZINC000002709059 563603701 /nfs/dbraw/zinc/60/37/01/563603701.db2.gz BYYQKLSYDUXUQN-UHFFFAOYSA-N 0 0 349.864 4.605 50 0 EJAARN Clc1ccc(COc2ccccc2CNCc2ccco2)cc1 ZINC000007523574 563603838 /nfs/dbraw/zinc/60/38/38/563603838.db2.gz QFJHKPOYMHJIFD-UHFFFAOYSA-N 0 0 327.811 4.802 50 0 EJAARN O=C(Nc1nc2c(cc(F)cc2F)s1)c1ccc2ccccc2c1 ZINC000002714027 563606779 /nfs/dbraw/zinc/60/67/79/563606779.db2.gz BVFLLZLZCMXZRQ-UHFFFAOYSA-N 0 0 340.354 4.980 50 0 EJAARN C[C@H]1CCc2cc(F)ccc2N1C(=O)c1cccc(Br)c1 ZINC000002736729 563607562 /nfs/dbraw/zinc/60/75/62/563607562.db2.gz PRVRAVPVMZSGFJ-NSHDSACASA-N 0 0 348.215 4.570 50 0 EJAARN CC[C@H](C)Nc1cc(C)nc2c(-c3ccccc3)c(C(F)(F)F)nn21 ZINC000007636200 563608273 /nfs/dbraw/zinc/60/82/73/563608273.db2.gz NQNHFKMPWRHYTD-NSHDSACASA-N 0 0 348.372 4.934 50 0 EJAARN Cc1nn(C)c2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)c12 ZINC000002740935 563608624 /nfs/dbraw/zinc/60/86/24/563608624.db2.gz UKMAEKWJRWVCOI-UHFFFAOYSA-N 0 0 331.750 4.677 50 0 EJAARN CCCC[C@@H](CC)CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1C ZINC000002741507 563608690 /nfs/dbraw/zinc/60/86/90/563608690.db2.gz 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ZINC000014794192 563764539 /nfs/dbraw/zinc/76/45/39/563764539.db2.gz ARWJTEVHUJMPAB-UHFFFAOYSA-N 0 0 334.375 4.525 50 0 EJAARN C[C@H](NC(=O)N(C)Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000032863172 563765209 /nfs/dbraw/zinc/76/52/09/563765209.db2.gz DXVGRJSAKALXIV-ZDUSSCGKSA-N 0 0 336.357 4.608 50 0 EJAARN CSCc1nnc(SC2c3ccccc3-c3ccccc32)o1 ZINC000032865473 563765988 /nfs/dbraw/zinc/76/59/88/563765988.db2.gz NWSCUZVEQAGRRR-UHFFFAOYSA-N 0 0 326.446 4.795 50 0 EJAARN Oc1ccc(/C=C/c2ccc3cccc(O)c3n2)cc1Br ZINC000015015612 563772211 /nfs/dbraw/zinc/77/22/11/563772211.db2.gz LYRHKHXPDLTBIP-QPJJXVBHSA-N 0 0 342.192 4.579 50 0 EJAARN COc1ccc(C[C@H]2c3ccccc3N(c3ccccc3)C2=O)cc1 ZINC000015018197 563773568 /nfs/dbraw/zinc/77/35/68/563773568.db2.gz YSBJDIIZHWUUOC-FQEVSTJZSA-N 0 0 329.399 4.700 50 0 EJAARN CN(Cc1nc(-c2ccccc2)no1)Cc1cccc(Cl)c1Cl ZINC000015299655 563781609 /nfs/dbraw/zinc/78/16/09/563781609.db2.gz FXANGRFZYNGEJV-UHFFFAOYSA-N 0 0 348.233 4.675 50 0 EJAARN O=C(Nc1cccc2c1CCCC2)C1(c2ccc(Cl)cc2)CC1 ZINC000015315552 563782422 /nfs/dbraw/zinc/78/24/22/563782422.db2.gz USUCZBDFUNOKIP-UHFFFAOYSA-N 0 0 325.839 4.889 50 0 EJAARN Clc1ccc2sc(-c3cnn(Cc4ccccc4)c3)nc2c1 ZINC000032891482 563782461 /nfs/dbraw/zinc/78/24/61/563782461.db2.gz SYNBAKVKQIBAPZ-UHFFFAOYSA-N 0 0 325.824 4.862 50 0 EJAARN O=C(Nc1cccnc1)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000015436289 563784205 /nfs/dbraw/zinc/78/42/05/563784205.db2.gz QFTNVWFALQJNBY-UHFFFAOYSA-N 0 0 343.361 4.688 50 0 EJAARN COC(=O)c1ccc(CSCc2coc(-c3ccccc3)n2)cc1 ZINC000032899490 563785342 /nfs/dbraw/zinc/78/53/42/563785342.db2.gz IYTIEBAIYMDYBL-UHFFFAOYSA-N 0 0 339.416 4.562 50 0 EJAARN C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4ccc(F)cc4F)cc3c2C1 ZINC000015564145 563786847 /nfs/dbraw/zinc/78/68/47/563786847.db2.gz BWRSCSXMOFIMKD-NSHDSACASA-N 0 0 340.373 4.823 50 0 EJAARN CC(C)c1ccc(C(=O)Nc2ccc(NC(N)=O)cc2)c(C(C)C)c1 ZINC000032901854 563788377 /nfs/dbraw/zinc/78/83/77/563788377.db2.gz TZMHZAUUBUURES-UHFFFAOYSA-N 0 0 339.439 4.676 50 0 EJAARN Cc1c(C(=O)Nc2nc3c(s2)CCC3)sc2cccc(F)c12 ZINC000015636959 563789172 /nfs/dbraw/zinc/78/91/72/563789172.db2.gz RBLMJLUABQBTHN-UHFFFAOYSA-N 0 0 332.425 4.546 50 0 EJAARN CCc1ccc(O[C@@H](C)C(=O)Nc2cccc3ccc(C)nc32)cc1 ZINC000015835292 563794089 /nfs/dbraw/zinc/79/40/89/563794089.db2.gz MEGHVUYAZMGPKW-HNNXBMFYSA-N 0 0 334.419 4.512 50 0 EJAARN Cc1ccc(C)c(NC(=O)C2=Cc3cc(Cl)ccc3OC=C2)c1 ZINC000015838533 563794368 /nfs/dbraw/zinc/79/43/68/563794368.db2.gz OKGFDWOFTWFTCW-UHFFFAOYSA-N 0 0 325.795 4.885 50 0 EJAARN Cc1cccc(C(=O)N[C@@H](c2cccnc2)c2cc(C)ccc2C)c1 ZINC000015839816 563795075 /nfs/dbraw/zinc/79/50/75/563795075.db2.gz PBVOATFKRWVGKI-NRFANRHFSA-N 0 0 330.431 4.526 50 0 EJAARN Cc1c2cc(Cl)ccc2oc1C(=O)Nc1ccc2nsnc2c1 ZINC000015841344 563796225 /nfs/dbraw/zinc/79/62/25/563796225.db2.gz IWQVEZHNHMHXAQ-UHFFFAOYSA-N 0 0 343.795 4.652 50 0 EJAARN CCCc1cc([C@@H]2CCCN2Cc2ccc(C(F)(F)F)cc2)no1 ZINC000015866881 563797842 /nfs/dbraw/zinc/79/78/42/563797842.db2.gz OSMKLDIBKPKJNF-KRWDZBQOSA-N 0 0 338.373 4.983 50 0 EJAARN Cc1ccc(S(=O)(=O)N2CCCCC[C@@H]2c2cccs2)cc1C ZINC000015866807 563797928 /nfs/dbraw/zinc/79/79/28/563797928.db2.gz BVBCHZNQWPMHHF-QGZVFWFLSA-N 0 0 349.521 4.671 50 0 EJAARN C[C@H](SCc1c(F)cccc1Cl)C(=O)Nc1ccccc1F ZINC000032907783 563799696 /nfs/dbraw/zinc/79/96/96/563799696.db2.gz NSEMJYWEWLCGNP-JTQLQIEISA-N 0 0 341.810 4.879 50 0 EJAARN Cc1nc2ccc(NC(=O)CCSc3ccccc3F)cc2s1 ZINC000016180199 563805105 /nfs/dbraw/zinc/80/51/05/563805105.db2.gz DGBINJVWTNRSDP-UHFFFAOYSA-N 0 0 346.452 4.865 50 0 EJAARN COc1ccc(C)cc1[C@H](C)NC(=O)/C=C/c1ccc([C@@H]2C[C@@H]2C)o1 ZINC000016235755 563806369 /nfs/dbraw/zinc/80/63/69/563806369.db2.gz HYCPIHNPNGVLPJ-QTGZSSRGSA-N 0 0 339.435 4.611 50 0 EJAARN Cc1cccc(NC(=O)c2c(Br)c3ccccc3n2C)c1 ZINC000032915715 563813627 /nfs/dbraw/zinc/81/36/27/563813627.db2.gz KYQJWRPNNNDOAR-UHFFFAOYSA-N 0 0 343.224 4.502 50 0 EJAARN Cc1nc(-c2cccnc2)sc1C(=O)Nc1cc(Cl)ccc1C ZINC000016648676 563818917 /nfs/dbraw/zinc/81/89/17/563818917.db2.gz MTEOQNLQYZZLTP-UHFFFAOYSA-N 0 0 343.839 4.728 50 0 EJAARN S=C(NCc1ccccc1)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000016703942 563821454 /nfs/dbraw/zinc/82/14/54/563821454.db2.gz BBCUEUKGFXZVSX-OAHLLOKOSA-N 0 0 348.924 4.541 50 0 EJAARN Cc1c(Cl)cccc1NC(=O)c1cc(=O)c2cc(Cl)ccc2o1 ZINC000016806663 563824485 /nfs/dbraw/zinc/82/44/85/563824485.db2.gz QHMODWBKQPSSNK-UHFFFAOYSA-N 0 0 348.185 4.661 50 0 EJAARN CCCCCc1c(C)nc(Nc2ccc(Cl)cc2Cl)[nH]c1=O ZINC000017027282 563829286 /nfs/dbraw/zinc/82/92/86/563829286.db2.gz NZJFSEQRSPGATJ-UHFFFAOYSA-N 0 0 340.254 4.861 50 0 EJAARN Cc1ccc(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)c(C)c1 ZINC000017025975 563829519 /nfs/dbraw/zinc/82/95/19/563829519.db2.gz OICNESFQMWCJPT-UHFFFAOYSA-N 0 0 349.825 4.829 50 0 EJAARN Cc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)c(Cl)c2)cc1 ZINC000017042523 563829716 /nfs/dbraw/zinc/82/97/16/563829716.db2.gz NYDOBIDACUQLHV-UHFFFAOYSA-N 0 0 349.825 4.829 50 0 EJAARN CCc1ccc(-c2cc(C(=O)OC)c3cccc(Cl)c3n2)cc1 ZINC000017066678 563831082 /nfs/dbraw/zinc/83/10/82/563831082.db2.gz XNIHPAFHDZNJQT-UHFFFAOYSA-N 0 0 325.795 4.904 50 0 EJAARN CC(C)(C)C(=O)Cc1nsc(Nc2cccc(Cl)c2Cl)n1 ZINC000017071793 563835385 /nfs/dbraw/zinc/83/53/85/563835385.db2.gz OUXOISCGQFAKNK-UHFFFAOYSA-N 0 0 344.267 4.746 50 0 EJAARN Cn1nc(-c2ccc(F)cc2)c(Br)c1-c1ccc(F)cc1 ZINC000017072497 563836066 /nfs/dbraw/zinc/83/60/66/563836066.db2.gz SGGFLLJMHLCEHE-UHFFFAOYSA-N 0 0 349.178 4.795 50 0 EJAARN CC(C)c1ccc(Nc2ncnc3c2cnn3-c2ccc(F)cc2)cc1 ZINC000017113672 563836860 /nfs/dbraw/zinc/83/68/60/563836860.db2.gz DJRNACNCMVHIDK-UHFFFAOYSA-N 0 0 347.397 4.822 50 0 EJAARN COc1ccc(NC(=O)N(C2=NCCC2)c2cccc(C)c2C)cc1 ZINC000017135615 563838138 /nfs/dbraw/zinc/83/81/38/563838138.db2.gz PUHKYDKNNOGAHE-UHFFFAOYSA-N 0 0 337.423 4.543 50 0 EJAARN Cc1ccc([C@H]2CC(=O)c3cnc(Nc4ccc(F)cc4)nc3C2)cc1 ZINC000017208684 563840655 /nfs/dbraw/zinc/84/06/55/563840655.db2.gz GZFLAJVVQVKXJA-OAHLLOKOSA-N 0 0 347.393 4.580 50 0 EJAARN C=C(C)[C@@H]1CC=C(C)C(=NNC(=O)COc2cccc3ccccc32)C1 ZINC000000358644 563840988 /nfs/dbraw/zinc/84/09/88/563840988.db2.gz OQNCUEZPKYORPP-GOSISDBHSA-N 0 0 348.446 4.623 50 0 EJAARN C[C@@H](NC(=O)c1ccc(Cl)cc1F)c1cccc(OC(F)F)c1 ZINC000032931093 563842229 /nfs/dbraw/zinc/84/22/29/563842229.db2.gz IIJMUIOBHNBGAC-SECBINFHSA-N 0 0 343.732 4.572 50 0 EJAARN S=c1[nH]nc(-c2ccc(Br)cc2)n1C1CCCCC1 ZINC000017971898 563846677 /nfs/dbraw/zinc/84/66/77/563846677.db2.gz UYOIYFDTAGFHFP-UHFFFAOYSA-N 0 0 338.274 4.875 50 0 EJAARN CCOc1ccc(Oc2ncnc3c(Br)cccc23)cc1 ZINC000032937624 563852547 /nfs/dbraw/zinc/85/25/47/563852547.db2.gz XYIZWIWKKVYXTD-UHFFFAOYSA-N 0 0 345.196 4.583 50 0 EJAARN CC(=O)c1ccc(NC(=O)c2cc(C)nc3c(C)cc(C)cc23)cc1 ZINC000000920327 563852582 /nfs/dbraw/zinc/85/25/82/563852582.db2.gz BHQXBDFYFKRXAN-UHFFFAOYSA-N 0 0 332.403 4.615 50 0 EJAARN Cl/C(=C\c1ccccc1)CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000019633354 563856137 /nfs/dbraw/zinc/85/61/37/563856137.db2.gz HLFFMLKSXHMNEH-JXAWBTAJSA-N 0 0 347.289 4.742 50 0 EJAARN Cc1cccc(NC(=O)c2cc(N3CCCCC3)nc3ccccc32)c1 ZINC000020150029 563858669 /nfs/dbraw/zinc/85/86/69/563858669.db2.gz LKOUAJDGMIWHAI-UHFFFAOYSA-N 0 0 345.446 4.786 50 0 EJAARN CCSc1ccccc1C(=O)Nc1ccc2sc(C)nc2c1 ZINC000005240700 563861611 /nfs/dbraw/zinc/86/16/11/563861611.db2.gz MXDBDJHBOCJSBE-UHFFFAOYSA-N 0 0 328.462 4.969 50 0 EJAARN Cc1cccc(Nc2ncnc3c2cnn3-c2ccc(C)c(Cl)c2)c1 ZINC000024013001 563868211 /nfs/dbraw/zinc/86/82/11/563868211.db2.gz OGDAIBAOHZCECD-UHFFFAOYSA-N 0 0 349.825 4.829 50 0 EJAARN COc1ccc(Nc2nc(-c3ccsc3)nc3ccccc32)cc1O ZINC000024094159 563869001 /nfs/dbraw/zinc/86/90/01/563869001.db2.gz BUEJGLICLBVYFF-UHFFFAOYSA-N 0 0 349.415 4.816 50 0 EJAARN COc1ccc(CN(C)C(=O)c2sccc2-c2ccccc2)cc1 ZINC000024400127 563871361 /nfs/dbraw/zinc/87/13/61/563871361.db2.gz LYSNDSNNYXWDKB-UHFFFAOYSA-N 0 0 337.444 4.696 50 0 EJAARN Cc1nc(-c2ccccc2)ccc1C(=O)N1CCCc2ccccc21 ZINC000024467836 563871720 /nfs/dbraw/zinc/87/17/20/563871720.db2.gz KKMZDGOGRMQVPT-UHFFFAOYSA-N 0 0 328.415 4.650 50 0 EJAARN O=C(Nc1ccc2c(c1)OCCO2)c1cc2c(ccc3ccccc23)o1 ZINC000024606145 563873228 /nfs/dbraw/zinc/87/32/28/563873228.db2.gz CLQFZKGHRSLOOJ-UHFFFAOYSA-N 0 0 345.354 4.610 50 0 EJAARN Cc1cc(C(=O)N(C)Cc2ccccc2N2CCCCC2)c(C)s1 ZINC000024653464 563873769 /nfs/dbraw/zinc/87/37/69/563873769.db2.gz JGHKWLMKEMZIGB-UHFFFAOYSA-N 0 0 342.508 4.627 50 0 EJAARN COc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2Cl)cc1 ZINC000043468065 563876611 /nfs/dbraw/zinc/87/66/11/563876611.db2.gz QBITWJDZPJQVDE-KRWDZBQOSA-N 0 0 330.815 4.718 50 0 EJAARN COc1ccc(NC(=O)CCOc2ccccc2-c2ccccc2)cc1 ZINC000024840508 563876650 /nfs/dbraw/zinc/87/66/50/563876650.db2.gz NDVVQXCSQWSMHT-UHFFFAOYSA-N 0 0 347.414 4.770 50 0 EJAARN Cc1ccc(OCCCC(=O)Nc2ccc(C)c3ncccc23)cc1 ZINC000024842470 563876956 /nfs/dbraw/zinc/87/69/56/563876956.db2.gz GGAGICSESMMRSJ-UHFFFAOYSA-N 0 0 334.419 4.649 50 0 EJAARN C[C@H](Oc1cc(Cl)ccc1Cl)c1nc(-c2cccnc2)no1 ZINC000024924109 563877594 /nfs/dbraw/zinc/87/75/94/563877594.db2.gz JANSLYUEUJQEJH-VIFPVBQESA-N 0 0 336.178 4.578 50 0 EJAARN COCc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)cc1 ZINC000024965806 563878588 /nfs/dbraw/zinc/87/85/88/563878588.db2.gz SSHPDWKQYCGKDT-SFHVURJKSA-N 0 0 331.843 4.614 50 0 EJAARN Cc1nc(Nc2ccccc2F)sc1C(=O)Nc1ccccc1 ZINC000025057073 563880515 /nfs/dbraw/zinc/88/05/15/563880515.db2.gz XUNJMMZSIMXRLL-UHFFFAOYSA-N 0 0 327.384 4.587 50 0 EJAARN Cc1cc(-n2c(C)cc(-c3csc(-c4ccco4)n3)c2C)no1 ZINC000025204605 563882178 /nfs/dbraw/zinc/88/21/78/563882178.db2.gz RTJBAJVMARZEDJ-UHFFFAOYSA-N 0 0 325.393 4.774 50 0 EJAARN CC(C)C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000025349591 563883703 /nfs/dbraw/zinc/88/37/03/563883703.db2.gz PMKZRWMLBKBKJR-INIZCTEOSA-N 0 0 340.854 4.725 50 0 EJAARN O=C(CSc1nccn1-c1cccc(Cl)c1)c1ccccc1 ZINC000026047731 563889839 /nfs/dbraw/zinc/88/98/39/563889839.db2.gz NWGWKZAHHVGMEV-UHFFFAOYSA-N 0 0 328.824 4.501 50 0 EJAARN CCOc1ccc(-c2noc(CNc3cccc4ccccc43)n2)cc1 ZINC000026781442 563893113 /nfs/dbraw/zinc/89/31/13/563893113.db2.gz ACXGXRPRJNTFKM-UHFFFAOYSA-N 0 0 345.402 4.901 50 0 EJAARN C[C@H](NCc1nnc(-c2ccccc2Cl)o1)c1ccc(Cl)cc1 ZINC000026861030 563893351 /nfs/dbraw/zinc/89/33/51/563893351.db2.gz UPNRIPFRYLWVIR-NSHDSACASA-N 0 0 348.233 4.894 50 0 EJAARN CCOC(=O)Nc1c(-c2ccc(Cl)cc2)nc2ccc(C)cn21 ZINC000026964325 563894083 /nfs/dbraw/zinc/89/40/83/563894083.db2.gz DASXPXOCKFYOCR-UHFFFAOYSA-N 0 0 329.787 4.532 50 0 EJAARN COc1cccc(CCC(=O)N[C@H](C)c2cccc3ccccc32)c1 ZINC000027103232 563894504 /nfs/dbraw/zinc/89/45/04/563894504.db2.gz YXRNRSMLSACIFH-MRXNPFEDSA-N 0 0 333.431 4.658 50 0 EJAARN O=C(c1ccccc1Cl)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000027386535 563895712 /nfs/dbraw/zinc/89/57/12/563895712.db2.gz ISFICYOBVGTXKJ-ZDUSSCGKSA-N 0 0 340.810 4.501 50 0 EJAARN c1cn(-c2ccccc2)c(SCc2ncc(-c3ccccc3)o2)n1 ZINC000027487282 563896162 /nfs/dbraw/zinc/89/61/62/563896162.db2.gz QWBPTJAMKRRNDX-UHFFFAOYSA-N 0 0 333.416 4.820 50 0 EJAARN O=C(CSc1cccc2cccc(Cl)c21)Nc1ccccn1 ZINC000027653441 563898091 /nfs/dbraw/zinc/89/80/91/563898091.db2.gz VNQRGIKARDQMHV-UHFFFAOYSA-N 0 0 328.824 4.619 50 0 EJAARN CCc1ccc(CN(C(=O)c2cccc(C)c2)c2ccccn2)cc1 ZINC000027662644 563898357 /nfs/dbraw/zinc/89/83/57/563898357.db2.gz PYTJCUIVMNDBPK-UHFFFAOYSA-N 0 0 330.431 4.799 50 0 EJAARN O=C(c1ccco1)N(Cc1cccc2ccccc21)c1ccccn1 ZINC000027662933 563898386 /nfs/dbraw/zinc/89/83/86/563898386.db2.gz MTRPYMXGMUOVIP-UHFFFAOYSA-N 0 0 328.371 4.675 50 0 EJAARN CC(C)c1noc([C@@H](C)Sc2nccn2-c2ccc(Cl)cc2)n1 ZINC000027810493 563899732 /nfs/dbraw/zinc/89/97/32/563899732.db2.gz PZRVSGBHWOBXIB-LLVKDONJSA-N 0 0 348.859 4.885 50 0 EJAARN CC(C)c1noc([C@H](C)Sc2nc3ccccc3n2C(F)F)n1 ZINC000027814392 563899933 /nfs/dbraw/zinc/89/99/33/563899933.db2.gz PQIHKIGDJWSXLD-VIFPVBQESA-N 0 0 338.383 4.791 50 0 EJAARN CSCc1cccc(C(=O)N[C@H]2CCSc3c(F)cccc32)c1 ZINC000028043236 563901247 /nfs/dbraw/zinc/90/12/47/563901247.db2.gz QAIVOYMMRPRVMD-INIZCTEOSA-N 0 0 347.480 4.656 50 0 EJAARN Cc1ccc(/C=C/C(=O)N2CCC[C@@H]2CCc2ccccc2)s1 ZINC000070040746 563904465 /nfs/dbraw/zinc/90/44/65/563904465.db2.gz PAOSNSYGOLBGJS-KAUXGEHWSA-N 0 0 325.477 4.694 50 0 EJAARN Cc1cc([C@@H]2CCCN2C(=O)c2sc3ccccc3c2Cl)no1 ZINC000029242557 563905418 /nfs/dbraw/zinc/90/54/18/563905418.db2.gz CNYIZSHPHPCQBF-ZDUSSCGKSA-N 0 0 346.839 4.828 50 0 EJAARN COCc1ccccc1NC(=O)Nc1ccc(-c2nccs2)cc1 ZINC000072282514 563905600 /nfs/dbraw/zinc/90/56/00/563905600.db2.gz ZBOBQWCHRFLZMQ-UHFFFAOYSA-N 0 0 339.420 4.601 50 0 EJAARN CC1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000000444751 563905996 /nfs/dbraw/zinc/90/59/96/563905996.db2.gz HEEVNKPKUHQKSA-UHFFFAOYSA-N 0 0 328.843 4.829 50 0 EJAARN CN(C(=O)c1ccc(Cl)cc1Cl)c1ccc2ccccc2n1 ZINC000072288053 563908195 /nfs/dbraw/zinc/90/81/95/563908195.db2.gz DPTXETSSIKLLPV-UHFFFAOYSA-N 0 0 331.202 4.818 50 0 EJAARN COCc1ccc(C(=O)Nc2nc(C)c(-c3ccccc3)s2)cc1 ZINC000029921874 563908913 /nfs/dbraw/zinc/90/89/13/563908913.db2.gz VLVSXKPZJKIOJX-UHFFFAOYSA-N 0 0 338.432 4.517 50 0 EJAARN O=C(Nc1ccccc1O)c1ccc(CSc2ccccc2)o1 ZINC000030603109 563910068 /nfs/dbraw/zinc/91/00/68/563910068.db2.gz NXOLPRYMODNTSP-UHFFFAOYSA-N 0 0 325.389 4.530 50 0 EJAARN CCN(c1ccc(NC(=O)c2ccc3ncsc3c2)cc1)C(C)C ZINC000030638006 563910140 /nfs/dbraw/zinc/91/01/40/563910140.db2.gz HAHDKAFQGSIWRX-UHFFFAOYSA-N 0 0 339.464 4.783 50 0 EJAARN CCn1ccc2ccc(NC(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)cc21 ZINC000072292967 563910369 /nfs/dbraw/zinc/91/03/69/563910369.db2.gz IKGJNXAEGAJXCU-KBPBESRZSA-N 0 0 338.373 4.968 50 0 EJAARN O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ccccn1 ZINC000030822851 563910829 /nfs/dbraw/zinc/91/08/29/563910829.db2.gz GJRAMVXHEQCDRN-UHFFFAOYSA-N 0 0 349.777 4.796 50 0 EJAARN Cc1cc(C)cc(Nc2nc(Cl)nc3c2cnn3-c2ccccc2)c1 ZINC000032500098 563913829 /nfs/dbraw/zinc/91/38/29/563913829.db2.gz REOWXGXIKZZHAA-UHFFFAOYSA-N 0 0 349.825 4.829 50 0 EJAARN CCOc1ccc(-c2nc([C@@H]3COc4ccccc4O3)cs2)cc1 ZINC000000197703 563917047 /nfs/dbraw/zinc/91/70/47/563917047.db2.gz GSFWNYXUHRKUPD-SFHVURJKSA-N 0 0 339.416 4.721 50 0 EJAARN COc1ccc(/C=C(/C(=O)NCc2ccccc2)c2ccccc2)cc1 ZINC000000316864 563917314 /nfs/dbraw/zinc/91/73/14/563917314.db2.gz 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CC1CCC(NC(=O)CSCc2ccc(Cl)cc2Cl)CC1 ZINC000057991823 563936288 /nfs/dbraw/zinc/93/62/88/563936288.db2.gz QEIWOEBLDHKXQE-UHFFFAOYSA-N 0 0 346.323 4.922 50 0 EJAARN CCN(C)c1cccc(NC(=O)COc2cc(C)ccc2C(C)C)c1 ZINC000058156722 563937942 /nfs/dbraw/zinc/93/79/42/563937942.db2.gz MDWBYMHELFMJIH-UHFFFAOYSA-N 0 0 340.467 4.592 50 0 EJAARN C[C@@H](c1cccs1)N(C)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000058174604 563938940 /nfs/dbraw/zinc/93/89/40/563938940.db2.gz ZVKXFFIYSXIBNL-JTQLQIEISA-N 0 0 340.279 4.896 50 0 EJAARN Cc1ccc2oc(C(=O)Nc3cccc(-n4cc[nH]c4=S)c3)cc2c1 ZINC000058178025 563939140 /nfs/dbraw/zinc/93/91/40/563939140.db2.gz BKVGDXGWPAHHPN-UHFFFAOYSA-N 0 0 349.415 4.842 50 0 EJAARN CC(C)C[C@@H](C)N(C(=O)CC[C@H]1CCCO1)c1ccc2[nH]ccc2c1 ZINC000058179205 563939168 /nfs/dbraw/zinc/93/91/68/563939168.db2.gz NSUGBXBZVOGISE-VQIMIIECSA-N 0 0 342.483 4.895 50 0 EJAARN Cc1sc2ncnc(N[C@H](c3ccccc3)[C@H]3CCCO3)c2c1C ZINC000058217476 563940082 /nfs/dbraw/zinc/94/00/82/563940082.db2.gz YKHPUICBGUCOMG-NVXWUHKLSA-N 0 0 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/nfs/dbraw/zinc/95/69/60/563956960.db2.gz SNYVPOZULOPFAW-KRWDZBQOSA-N 0 0 344.455 4.542 50 0 EJAARN O=C(c1cn(CCCCO)c2ccccc12)c1cccc2ccccc21 ZINC000064858596 563957173 /nfs/dbraw/zinc/95/71/73/563957173.db2.gz FIBVDFAPDNJBNI-UHFFFAOYSA-N 0 0 343.426 4.798 50 0 in-vitro EJAARN COc1cccc(NC(=O)N2CCCCC[C@@H]2c2cccc(F)c2)c1 ZINC000064984532 563957661 /nfs/dbraw/zinc/95/76/61/563957661.db2.gz DMHUVKXKRIOYLJ-LJQANCHMSA-N 0 0 342.414 4.984 50 0 EJAARN CCOc1ccc(NC(=O)N2CCC[C@@H]2c2cc(C(C)C)on2)cc1 ZINC000064984552 563957682 /nfs/dbraw/zinc/95/76/82/563957682.db2.gz UGCLRDCVVFERSZ-QGZVFWFLSA-N 0 0 343.427 4.566 50 0 EJAARN Cc1ccc(C)c(NC(=O)N2CCC[C@H]2c2cc(C(C)C)on2)c1 ZINC000064984645 563957713 /nfs/dbraw/zinc/95/77/13/563957713.db2.gz YPYXDRBKQXVCBE-KRWDZBQOSA-N 0 0 327.428 4.784 50 0 EJAARN CCCc1cc([C@H]2CCCN2C(=O)Nc2ccc(C)c(Cl)c2)no1 ZINC000064984614 563957727 /nfs/dbraw/zinc/95/77/27/563957727.db2.gz MQAGPTZHQIGLLK-QGZVFWFLSA-N 0 0 347.846 4.958 50 0 EJAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2cc(C(C)C)no2)cc1F ZINC000064985163 563957864 /nfs/dbraw/zinc/95/78/64/563957864.db2.gz YWBDRNIGCMQULP-MRXNPFEDSA-N 0 0 331.391 4.615 50 0 EJAARN CCc1csc(Cn2cnc(-c3ccccc3)c2-c2ccco2)n1 ZINC000065419736 563960548 /nfs/dbraw/zinc/96/05/48/563960548.db2.gz URVBLXQVHIQZBK-UHFFFAOYSA-N 0 0 335.432 4.877 50 0 EJAARN c1nc(-c2ccccc2)c(-c2ccccc2)n1CCc1ccncc1 ZINC000065424631 563960650 /nfs/dbraw/zinc/96/06/50/563960650.db2.gz VPOZRYWYOBVQJQ-UHFFFAOYSA-N 0 0 325.415 4.855 50 0 EJAARN CCC(CC)n1ncc(C)c1NC(=O)[C@@H](c1ccccc1)C(C)C ZINC000065434182 563960958 /nfs/dbraw/zinc/96/09/58/563960958.db2.gz URXFFJPNKDKESA-GOSISDBHSA-N 0 0 327.472 4.931 50 0 EJAARN Cc1ccc(F)c(-c2c(-c3ccccc3)ncn2CC[C@@H](C)O)c1F ZINC000065470647 563961357 /nfs/dbraw/zinc/96/13/57/563961357.db2.gz JHLIDGVKCSRCBI-CQSZACIVSA-N 0 0 342.389 4.575 50 0 EJAARN Cc1cn(Cc2nc(-c3cccc(C(F)(F)F)c3)oc2C)c(C)n1 ZINC000067847644 563962855 /nfs/dbraw/zinc/96/28/55/563962855.db2.gz LYOAUTUEWRRDOA-UHFFFAOYSA-N 0 0 335.329 4.530 50 0 EJAARN COc1ccc(Br)cc1COc1ccc(Cl)cc1 ZINC000070245625 563963896 /nfs/dbraw/zinc/96/38/96/563963896.db2.gz LVLBAPWHXOLIEE-UHFFFAOYSA-N 0 0 327.605 4.690 50 0 EJAARN O=C(c1cccc(F)c1F)N1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000071763101 563965432 /nfs/dbraw/zinc/96/54/32/563965432.db2.gz KVMBHFXISRSQEQ-OAHLLOKOSA-N 0 0 347.380 4.589 50 0 EJAARN COc1ccc(C(=O)[C@H](Cc2ccccc2)c2ccc(OC)cc2)cc1 ZINC000071770579 563965602 /nfs/dbraw/zinc/96/56/02/563965602.db2.gz LSQPQMIEMBQSGT-JOCHJYFZSA-N 0 0 346.426 4.913 50 0 EJAARN Cc1c2cc(C)cc(CNc3cnccn3)c2[nH]c1-c1ccccc1 ZINC000071774718 563965688 /nfs/dbraw/zinc/96/56/88/563965688.db2.gz LFDTYFVOIYDXDX-UHFFFAOYSA-N 0 0 328.419 4.854 50 0 EJAARN CCc1nc(-c2ccc(C(=O)Nc3ccc(C)cc3Cl)cc2)no1 ZINC000033254227 563966105 /nfs/dbraw/zinc/96/61/05/563966105.db2.gz FSIMTBHJCCUFHN-UHFFFAOYSA-N 0 0 341.798 4.513 50 0 EJAARN Cc1coc(-c2ccc(C)c(NCc3cnc4cc(C)ccn34)c2)n1 ZINC000097020103 563966771 /nfs/dbraw/zinc/96/67/71/563966771.db2.gz GWCWEJHXZXNFSE-UHFFFAOYSA-N 0 0 332.407 4.527 50 0 EJAARN O=C(Nc1cc2c(s1)CCCC2)c1ccc(Br)cc1 ZINC000000078130 563967816 /nfs/dbraw/zinc/96/78/16/563967816.db2.gz UFRYUFPBODUHIF-UHFFFAOYSA-N 0 0 336.254 4.642 50 0 EJAARN COc1ccc2ccccc2c1-c1nnc2ccc(C(F)(F)F)cn21 ZINC000000039125 563968571 /nfs/dbraw/zinc/96/85/71/563968571.db2.gz QPFUXOOFPBYPOA-UHFFFAOYSA-N 0 0 343.308 4.577 50 0 EJAARN CCCCc1nc(CN2CCC[C@H]2c2nc3ccccc3s2)c[nH]1 ZINC000077318849 563968875 /nfs/dbraw/zinc/96/88/75/563968875.db2.gz ZKGCEVKCDLQJMU-INIZCTEOSA-N 0 0 340.496 4.699 50 0 EJAARN CCCc1ccc2oc(C(=O)N(C)CC[C@@H]3CCCCO3)c(C)c2c1 ZINC000077471750 563969906 /nfs/dbraw/zinc/96/99/06/563969906.db2.gz OFPISNNIHJFXQJ-KRWDZBQOSA-N 0 0 343.467 4.725 50 0 EJAARN CCN(CC1CCOCC1)C(=O)c1oc2c(cc(C)cc2Cl)c1C ZINC000077485540 563969910 /nfs/dbraw/zinc/96/99/10/563969910.db2.gz MOVPTLMUILLFDU-UHFFFAOYSA-N 0 0 349.858 4.592 50 0 EJAARN Cc1cc(C(=O)N2CC[C@H]2c2ccc(F)cc2)c2cccc(C)c2n1 ZINC000082138605 563972680 /nfs/dbraw/zinc/97/26/80/563972680.db2.gz MFMJMPUAPAEEGM-IBGZPJMESA-N 0 0 334.394 4.578 50 0 EJAARN CCc1nc2cc(CCC(=O)N[C@@H](C)c3ccc(C)cc3C)ccc2[nH]1 ZINC000033290548 563973016 /nfs/dbraw/zinc/97/30/16/563973016.db2.gz KDGWZFIPJJIWRK-INIZCTEOSA-N 0 0 349.478 4.552 50 0 EJAARN Cc1oc(C)c(C(=O)Nc2ncc(Cc3ccccc3C)s2)c1C ZINC000060688109 563973291 /nfs/dbraw/zinc/97/32/91/563973291.db2.gz YOVXTVQLPPXJLZ-UHFFFAOYSA-N 0 0 340.448 4.813 50 0 EJAARN COc1ccc(C=C(C)c2nc(=O)c3ccsc3[nH]2)cc1SC ZINC000585139776 563973340 /nfs/dbraw/zinc/97/33/40/563973340.db2.gz AGXYGNNSSPKFIG-CSKARUKUSA-N 0 0 344.461 4.688 50 0 EJAARN COc1cccc(-c2noc(CSc3ccc(Cl)cc3)n2)c1 ZINC000015377095 563973608 /nfs/dbraw/zinc/97/36/08/563973608.db2.gz ZUEXKXAJMISCFQ-UHFFFAOYSA-N 0 0 332.812 4.691 50 0 EJAARN COc1ccccc1[C@@H](NCc1ncc(C)o1)c1ccccc1Cl ZINC000127995551 563973752 /nfs/dbraw/zinc/97/37/52/563973752.db2.gz LXQZBZDAASXRPU-IBGZPJMESA-N 0 0 342.826 4.524 50 0 EJAARN CC(C)(NC(=O)OCc1ccccc1)c1cccc(Br)c1 ZINC000085483658 563973836 /nfs/dbraw/zinc/97/38/36/563973836.db2.gz CGRWRJTWKLTVNA-UHFFFAOYSA-N 0 0 348.240 4.611 50 0 EJAARN O=C(NC[C@H](c1ccco1)c1cccs1)c1c(F)cccc1Cl ZINC000585146818 563973966 /nfs/dbraw/zinc/97/39/66/563973966.db2.gz UDFBRUBYDGDHLO-LLVKDONJSA-N 0 0 349.814 4.696 50 0 EJAARN Cc1ccc(OCc2nc3cc(Br)ccc3[nH]2)cc1C ZINC000033327175 563974125 /nfs/dbraw/zinc/97/41/25/563974125.db2.gz MGIIIUNPRQJRNI-UHFFFAOYSA-N 0 0 331.213 4.521 50 0 EJAARN Cc1nc(-c2cc3ccc(C)cc3nc2NCc2ccccc2)no1 ZINC000033331437 563974429 /nfs/dbraw/zinc/97/44/29/563974429.db2.gz ZGEQHXCOPLTAOE-UHFFFAOYSA-N 0 0 330.391 4.514 50 0 EJAARN O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccc(Cl)cc1 ZINC000000077608 563974550 /nfs/dbraw/zinc/97/45/50/563974550.db2.gz ASAISQWXXXYWFL-UHFFFAOYSA-N 0 0 349.777 4.796 50 0 EJAARN CCOC(=O)c1c(CSC2CCCCC2)oc2ccc(O)cc21 ZINC000000078996 563974571 /nfs/dbraw/zinc/97/45/71/563974571.db2.gz QXQKDACDCRRQAU-UHFFFAOYSA-N 0 0 334.437 4.881 50 0 EJAARN CN(C)C(=O)[C@@H](Sc1c(Cl)cccc1Cl)c1ccccc1 ZINC000061141158 563974779 /nfs/dbraw/zinc/97/47/79/563974779.db2.gz XKOCRJUIUBWIMQ-AWEZNQCLSA-N 0 0 340.275 4.915 50 0 EJAARN CCc1noc(C)c1NC(=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000187649211 563975119 /nfs/dbraw/zinc/97/51/19/563975119.db2.gz RTMUEXDBFSVTHJ-UHFFFAOYSA-N 0 0 347.846 4.610 50 0 EJAARN Cc1c(C(=O)N2CCCC[C@@H]2c2ccccn2)[nH]c2c1c(C)ccc2C ZINC000091319993 563975282 /nfs/dbraw/zinc/97/52/82/563975282.db2.gz GVBYEZLMLOZSBY-GOSISDBHSA-N 0 0 347.462 4.856 50 0 EJAARN Cc1c2cc(C)ccc2[nH]c1C(=O)N1CCC(c2cccc(O)c2)CC1 ZINC000091587148 563975519 /nfs/dbraw/zinc/97/55/19/563975519.db2.gz NPPIUAFSGSLIGB-UHFFFAOYSA-N 0 0 348.446 4.510 50 0 EJAARN Cc1cccnc1[C@H](C)n1cc(-c2ccccc2-c2ccco2)nn1 ZINC000091914815 563975874 /nfs/dbraw/zinc/97/58/74/563975874.db2.gz SWJJECGTMVIQBB-HNNXBMFYSA-N 0 0 330.391 4.518 50 0 EJAARN O=C(CSc1nnc(C2CC2)[nH]1)c1ccc(C2CCCCC2)cc1 ZINC000011471955 563976369 /nfs/dbraw/zinc/97/63/69/563976369.db2.gz QHJBRCHTZIEKQR-UHFFFAOYSA-N 0 0 341.480 4.705 50 0 EJAARN COc1ccc(Cl)cc1NC(=O)Nc1cnc2ccccc2c1 ZINC000009875287 563976383 /nfs/dbraw/zinc/97/63/83/563976383.db2.gz YQWOWEPYBMLKAH-UHFFFAOYSA-N 0 0 327.771 4.541 50 0 EJAARN CC1(C)Cc2nn(-c3ccccc3)c(-c3ccc(F)cc3)c2C(=O)C1 ZINC000000090952 563976567 /nfs/dbraw/zinc/97/65/67/563976567.db2.gz REVLZECRJDYILN-UHFFFAOYSA-N 0 0 334.394 4.834 50 0 EJAARN Cc1cccc([C@@H]2CCCN(C(=O)c3cc4cccc(C)c4n3C)C2)c1 ZINC000095376825 563976879 /nfs/dbraw/zinc/97/68/79/563976879.db2.gz LPJQCTKXHXIZCD-HXUWFJFHSA-N 0 0 346.474 4.815 50 0 EJAARN Cc1ccc2nc(C)c(C)c(C(=O)N3CC[C@H]3c3ccccc3)c2c1 ZINC000095529257 563977536 /nfs/dbraw/zinc/97/75/36/563977536.db2.gz OFTBZBFGGIGCGF-FQEVSTJZSA-N 0 0 330.431 4.747 50 0 EJAARN COC(=O)c1cccc(CSc2ccc(Br)cc2)c1 ZINC000095836281 563977694 /nfs/dbraw/zinc/97/76/94/563977694.db2.gz JFUMHZKTLNPVBH-UHFFFAOYSA-N 0 0 337.238 4.528 50 0 EJAARN O=c1oc2ccccc2cc1C1=NC2(CCCCC2)Cc2ccccc21 ZINC000000099061 563981619 /nfs/dbraw/zinc/98/16/19/563981619.db2.gz KOBQFTDAWUCPLS-UHFFFAOYSA-N 0 0 343.426 4.889 50 0 biogenic EJAARN CCc1ccccc1NC(=S)Nc1sc(C)c(C)c1C(=O)OC ZINC000006286454 563981708 /nfs/dbraw/zinc/98/17/08/563981708.db2.gz KGSIDXNTSWTMJL-UHFFFAOYSA-N 0 0 348.493 4.523 50 0 EJAARN O=C(Cc1csc(-c2cccs2)n1)Nc1ccccc1Cl ZINC000014138912 563983284 /nfs/dbraw/zinc/98/32/84/563983284.db2.gz OMHRUJNQAFNPMA-UHFFFAOYSA-N 0 0 334.853 4.706 50 0 EJAARN O=C(Cc1cccc2cccnc21)OCc1cccc2ccccc21 ZINC000014151293 563983319 /nfs/dbraw/zinc/98/33/19/563983319.db2.gz HBBKETRQAQAXNO-UHFFFAOYSA-N 0 0 327.383 4.674 50 0 EJAARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1c[nH]c2ccccc12 ZINC000014198874 563983426 /nfs/dbraw/zinc/98/34/26/563983426.db2.gz INGRRPQPRHYBHR-UHFFFAOYSA-N 0 0 342.398 4.999 50 0 EJAARN CC(C)CNC(=O)c1ccc(COc2cc(Cl)ccc2Cl)o1 ZINC000000115452 563983876 /nfs/dbraw/zinc/98/38/76/563983876.db2.gz CHCOYBRXYYZNSW-UHFFFAOYSA-N 0 0 342.222 4.551 50 0 EJAARN CCOc1ccc(/C=C/C(=O)Oc2ccc(Cl)cc2C)cc1OC ZINC000000122533 563986865 /nfs/dbraw/zinc/98/68/65/563986865.db2.gz VQXXNJVSZJWAIY-UXBLZVDNSA-N 0 0 346.810 4.675 50 0 EJAARN O=C1c2ccccc2N[C@H](c2ccccn2)N1c1ccc(Cl)cc1 ZINC000000128709 563986949 /nfs/dbraw/zinc/98/69/49/563986949.db2.gz YLOCCTNZHHPWTC-SFHVURJKSA-N 0 0 335.794 4.506 50 0 EJAARN O=[N+]([O-])N1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@@H]1CCC3 ZINC000000131423 563986982 /nfs/dbraw/zinc/98/69/82/563986982.db2.gz CGBJMCAWUZNITI-IBGZPJMESA-N 0 0 339.439 4.574 50 0 biogenic,in-vitro EJAARN CCOC(=O)c1cnc2c(Cl)cccc2c1Nc1ccccc1 ZINC000000139722 563987149 /nfs/dbraw/zinc/98/71/49/563987149.db2.gz DHLDXXJPACVVPZ-UHFFFAOYSA-N 0 0 326.783 4.809 50 0 EJAARN COC(=O)c1ccc(N[C@H](C(=O)c2ccccc2)c2ccccc2)cc1 ZINC000000151238 563987396 /nfs/dbraw/zinc/98/73/96/563987396.db2.gz MSCBFOLLGARCIR-FQEVSTJZSA-N 0 0 345.398 4.509 50 0 EJAARN O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1ccc2ccccc2c1 ZINC000000176680 563987653 /nfs/dbraw/zinc/98/76/53/563987653.db2.gz QKCHDVBPHKBFAR-WQRHYEAKSA-N 0 0 333.774 4.838 50 0 EJAARN O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccc2ccccc2c1 ZINC000000176682 563987683 /nfs/dbraw/zinc/98/76/83/563987683.db2.gz PLLMZLWAMXAURY-PDGQHHTCSA-N 0 0 333.774 4.838 50 0 EJAARN O=C1CS[C@H](c2ccc(Cl)cc2)N1c1ccc(F)c(Cl)c1 ZINC000000180308 563987831 /nfs/dbraw/zinc/98/78/31/563987831.db2.gz NUZVKVLXOAWLBL-OAHLLOKOSA-N 0 0 342.222 4.911 50 0 EJAARN Nc1nnc(-c2ccccc2SCc2ccc(Cl)cc2)s1 ZINC000000184295 563987951 /nfs/dbraw/zinc/98/79/51/563987951.db2.gz LWSVSIPOZRMJCL-UHFFFAOYSA-N 0 0 333.869 4.733 50 0 EJAARN CCC(CC)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2 ZINC000000189456 563988045 /nfs/dbraw/zinc/98/80/45/563988045.db2.gz REHHBFJZOOFJBW-UHFFFAOYSA-N 0 0 349.887 4.647 50 0 EJAARN Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 ZINC000000190193 563988070 /nfs/dbraw/zinc/98/80/70/563988070.db2.gz RUADQKYAUGJNLH-UHFFFAOYSA-N 0 0 327.387 4.791 50 0 EJAARN Cc1nc(C(=O)Nc2ccc(Cl)cc2)cc2c3ccccc3[nH]c21 ZINC000000208104 563988446 /nfs/dbraw/zinc/98/84/46/563988446.db2.gz YVIRLDPPRMJRPS-UHFFFAOYSA-N 0 0 335.794 4.930 50 0 EJAARN Cc1ccc(-c2cc3nc4c(c(C(F)(F)F)n3n2)CCCC4)cc1 ZINC000000204978 563988483 /nfs/dbraw/zinc/98/84/83/563988483.db2.gz VLJKQRTVKZCECB-UHFFFAOYSA-N 0 0 331.341 4.602 50 0 EJAARN O=C(Cc1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000000210215 563988575 /nfs/dbraw/zinc/98/85/75/563988575.db2.gz WTPKUPZQOANMBU-JOCHJYFZSA-N 0 0 340.426 4.607 50 0 EJAARN CCCN(CCC)C(=O)C[C@H](c1ccccc1)c1ccc(C)cc1O ZINC000000211516 563988607 /nfs/dbraw/zinc/98/86/07/563988607.db2.gz PKYPEPKYXSPHNV-HXUWFJFHSA-N 0 0 339.479 4.871 50 0 EJAARN Cc1ccc(Cl)cc1NC(=O)CCn1c2ccccc2oc1=S ZINC000000224612 563989006 /nfs/dbraw/zinc/98/90/06/563989006.db2.gz OZYUYXAOFQKSOE-UHFFFAOYSA-N 0 0 346.839 4.954 50 0 EJAARN Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000000243561 563989215 /nfs/dbraw/zinc/98/92/15/563989215.db2.gz HTTBOUXGTXSHLE-UHFFFAOYSA-N 0 0 348.377 4.639 50 0 EJAARN CCc1ccccc1NC(=O)c1c(C)nn(-c2ccccc2)c1Cl ZINC000000258471 563989567 /nfs/dbraw/zinc/98/95/67/563989567.db2.gz HRCSDKZVFFWVNT-UHFFFAOYSA-N 0 0 339.826 4.649 50 0 EJAARN CC[C@@H](C)NC(=O)c1ccc(CSCc2ccccc2Cl)o1 ZINC000000262989 563989761 /nfs/dbraw/zinc/98/97/61/563989761.db2.gz FNJAXZKXTDBQGJ-GFCCVEGCSA-N 0 0 337.872 4.895 50 0 EJAARN O=C(Nc1ccc2ccccc2c1)c1ccc(Br)cc1F ZINC000000263527 563989802 /nfs/dbraw/zinc/98/98/02/563989802.db2.gz KMIUMULUYPFSMF-UHFFFAOYSA-N 0 0 344.183 4.994 50 0 EJAARN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCc3ccccc32)cc1 ZINC000000270216 563990042 /nfs/dbraw/zinc/99/00/42/563990042.db2.gz MOQOJIBCCGYPLH-QFIPXVFZSA-N 0 0 342.442 4.738 50 0 EJAARN Cc1ccccc1Nc1nc(-c2cc3ccccc3oc2=O)cs1 ZINC000000313953 563990972 /nfs/dbraw/zinc/99/09/72/563990972.db2.gz IGYRJJQNIUTGEU-UHFFFAOYSA-N 0 0 334.400 4.969 50 0 EJAARN Cc1ccccc1[C@H]1c2ccsc2CCN1C(=O)C1CCCC1 ZINC000000319402 563991138 /nfs/dbraw/zinc/99/11/38/563991138.db2.gz IZPCVQQXHVQTFA-IBGZPJMESA-N 0 0 325.477 4.721 50 0 EJAARN O=C(Nc1cccc2ccccc21)c1cccc(Br)c1 ZINC000000340327 563991378 /nfs/dbraw/zinc/99/13/78/563991378.db2.gz XKNZEZOUWZIZTR-UHFFFAOYSA-N 0 0 326.193 4.855 50 0 EJAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cc(Cl)ccc1C ZINC000028238637 563991641 /nfs/dbraw/zinc/99/16/41/563991641.db2.gz WNYVFCSKLZROBW-UHFFFAOYSA-N 0 0 339.826 4.703 50 0 EJAARN Cc1ccc(-n2cc(-c3ccccc3)n(-c3ccccc3)c2=O)cc1 ZINC000000359239 563991649 /nfs/dbraw/zinc/99/16/49/563991649.db2.gz OKJPYGHGUSRJRZ-UHFFFAOYSA-N 0 0 326.399 4.604 50 0 EJAARN CC(=O)N1N=C(c2ccc(Cl)c(Cl)c2)C[C@H]1c1ccccc1 ZINC000000366779 563991728 /nfs/dbraw/zinc/99/17/28/563991728.db2.gz WFTQBZVNGVFVSA-KRWDZBQOSA-N 0 0 333.218 4.691 50 0 EJAARN CC(C)(C)Cc1nnc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)s1 ZINC000000374489 563991848 /nfs/dbraw/zinc/99/18/48/563991848.db2.gz UROWBTAOEQYJAP-CHWSQXEVSA-N 0 0 349.887 4.522 50 0 EJAARN FC(F)(F)c1ccccc1-c1nn2c(nnc2-c2ccccc2)s1 ZINC000000385037 563991974 /nfs/dbraw/zinc/99/19/74/563991974.db2.gz VUXPVVGIMVOCEJ-UHFFFAOYSA-N 0 0 346.337 4.539 50 0 EJAARN O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(OC(F)F)cc1 ZINC000004902238 563992361 /nfs/dbraw/zinc/99/23/61/563992361.db2.gz GSMKRDQLKHWQOS-UHFFFAOYSA-N 0 0 346.377 4.531 50 0 EJAARN Cc1[nH]c2ccccc2c1CCNC(=S)Nc1cc(C)cc(C)c1 ZINC000004904713 563992386 /nfs/dbraw/zinc/99/23/86/563992386.db2.gz DMQOSIPPMFQQLX-UHFFFAOYSA-N 0 0 337.492 4.622 50 0 EJAARN CC(=O)c1ccc(C(=O)N(c2cccc(C(F)(F)F)c2)C(C)C)o1 ZINC000408514807 563992935 /nfs/dbraw/zinc/99/29/35/563992935.db2.gz LQNBRSJXEJWZDU-UHFFFAOYSA-N 0 0 339.313 4.556 50 0 EJAARN CCCN(C(=O)C1=CCOCC1)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000408515363 563993023 /nfs/dbraw/zinc/99/30/23/563993023.db2.gz ODQRMVYDCKSPBI-LBPRGKRZSA-N 0 0 342.266 4.640 50 0 EJAARN Cc1nc(-c2ccc(OCc3cccc(C(F)(F)F)c3)cc2)no1 ZINC000061112290 563993165 /nfs/dbraw/zinc/99/31/65/563993165.db2.gz DHPRABFJQUNTQG-UHFFFAOYSA-N 0 0 334.297 4.643 50 0 EJAARN O=C(CSc1nc2ccccc2o1)C12CC3CC(CC(C3)C1)C2 ZINC000005033623 563993912 /nfs/dbraw/zinc/99/39/12/563993912.db2.gz MXJYECKVZSLVDW-UHFFFAOYSA-N 0 0 327.449 4.705 50 0 EJAARN CCCCCNc1nc2c(-c3ccccc3)nnn2c2ccccc21 ZINC000005035180 563993989 /nfs/dbraw/zinc/99/39/89/563993989.db2.gz WWIPCQLOMOODRA-UHFFFAOYSA-N 0 0 331.423 4.547 50 0 EJAARN Brc1ccc2oc3c(ncnc3NC3CCCCC3)c2c1 ZINC000005156745 563995089 /nfs/dbraw/zinc/99/50/89/563995089.db2.gz ZQCDTNMHRPGZGG-UHFFFAOYSA-N 0 0 346.228 4.883 50 0 EJAARN O=C(c1ccc(Cl)cc1)N(Cc1cccs1)c1ccccn1 ZINC000011915034 563995468 /nfs/dbraw/zinc/99/54/68/563995468.db2.gz SFXGIPYUZSMDJB-UHFFFAOYSA-N 0 0 328.824 4.644 50 0 EJAARN O=S(=O)(Oc1ccc(C2CCCCC2)cc1)c1ccc(F)cc1 ZINC000001890049 563996153 /nfs/dbraw/zinc/99/61/53/563996153.db2.gz HNYBPDZJIQHVHU-UHFFFAOYSA-N 0 0 334.412 4.641 50 0 EJAARN CCN(CC1CC1)C(=O)c1cccc(-c2nccc3ccccc32)c1 ZINC000426555345 563996298 /nfs/dbraw/zinc/99/62/98/563996298.db2.gz ARDYFEYAOPMMLK-UHFFFAOYSA-N 0 0 330.431 4.774 50 0 EJAARN Cc1ccc(N(C(=O)Nc2ccccc2)C2=NC[C@@H](C)S2)cc1 ZINC000000161698 563996411 /nfs/dbraw/zinc/99/64/11/563996411.db2.gz LNSBBWVXFHWVKN-CQSZACIVSA-N 0 0 325.437 4.525 50 0 EJAARN CSc1ccc(NCc2noc(-c3ccccc3C)n2)cc1F ZINC000134001463 563996523 /nfs/dbraw/zinc/99/65/23/563996523.db2.gz XRRBELFXBXVQGC-UHFFFAOYSA-N 0 0 329.400 4.518 50 0 EJAARN Clc1ccc(CSc2nnc(-c3cccnc3)o2)c(Cl)c1 ZINC000000411165 563998047 /nfs/dbraw/zinc/99/80/47/563998047.db2.gz XXKIGMQANOIGJJ-UHFFFAOYSA-N 0 0 338.219 4.731 50 0 EJAARN Cc1cccc(-c2nnc(SCC(=O)c3ccc(Cl)cc3)o2)c1 ZINC000000411638 563998071 /nfs/dbraw/zinc/99/80/71/563998071.db2.gz NUTADUVLVKXPIR-UHFFFAOYSA-N 0 0 344.823 4.673 50 0 EJAARN O=C(Nc1ccc(F)cc1)c1cc2cc(Br)ccc2o1 ZINC000028250158 563998176 /nfs/dbraw/zinc/99/81/76/563998176.db2.gz LJFHCNLWRMPMEY-UHFFFAOYSA-N 0 0 334.144 4.587 50 0 EJAARN COc1ccc(N2C(=O)CS[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000000423778 563998371 /nfs/dbraw/zinc/99/83/71/563998371.db2.gz SSQLBRDVNIUYOA-IBGZPJMESA-N 0 0 341.476 4.771 50 0 EJAARN Cc1ccc(N2C(=O)CS[C@H]2c2ccc(OC(F)F)cc2)cc1C ZINC000000423967 563998416 /nfs/dbraw/zinc/99/84/16/563998416.db2.gz QBRLRFKFWMZCEO-KRWDZBQOSA-N 0 0 349.402 4.683 50 0 EJAARN CCOc1ccc(-c2nnc(-c3ccc(Br)cc3)o2)cc1 ZINC000000422650 563998546 /nfs/dbraw/zinc/99/85/46/563998546.db2.gz MMOJOTOTGIWRPL-UHFFFAOYSA-N 0 0 345.196 4.565 50 0 EJAARN Cc1ccc2cc3cc(C(=O)N4C[C@@H](C)C[C@H](C)C4)sc3nc2c1 ZINC000000428321 563998889 /nfs/dbraw/zinc/99/88/89/563998889.db2.gz BVJJIVLDDDTAAL-KBPBESRZSA-N 0 0 338.476 4.876 50 0 EJAARN Cc1cccc(CCNC(=O)c2cc3cc4ccc(C)cc4nc3o2)c1 ZINC000000429032 563998910 /nfs/dbraw/zinc/99/89/10/563998910.db2.gz YODZQRLJQGHYIP-UHFFFAOYSA-N 0 0 344.414 4.570 50 0 EJAARN C[C@@H]1CCCCN1C(=O)c1cc(-c2ccc(Cl)c(Cl)c2)on1 ZINC000000425707 563998962 /nfs/dbraw/zinc/99/89/62/563998962.db2.gz USKUEZOWYKVFOP-SNVBAGLBSA-N 0 0 339.222 4.663 50 0 EJAARN COc1cc2nc(=S)[nH]c(Nc3cc(C)cc(C)c3)c2cc1OC ZINC000000429305 563999171 /nfs/dbraw/zinc/99/91/71/563999171.db2.gz DNGSOOKHYAQAMX-UHFFFAOYSA-N 0 0 341.436 4.670 50 0 EJAARN Fc1ccc(-c2cc3ncnc(SCc4cc[nH]n4)c3s2)cc1 ZINC000253425541 563999224 /nfs/dbraw/zinc/99/92/24/563999224.db2.gz DSTNSWSAWHZMBG-UHFFFAOYSA-N 0 0 342.424 4.513 50 0 EJAARN O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1cccc2ccccc12 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ZINC000017919203 564013287 /nfs/dbraw/zinc/01/32/87/564013287.db2.gz ZNYBBKBNQBRYLY-GASCZTMLSA-N 0 0 348.446 4.921 50 0 EJAARN Cc1[nH]c2ccc(C(=O)N[C@@H](C)c3cccc(Cl)c3)cc2c1C ZINC000017908450 564013291 /nfs/dbraw/zinc/01/32/91/564013291.db2.gz OQLZERBUSCSRMX-ZDUSSCGKSA-N 0 0 326.827 4.929 50 0 EJAARN Cc1ccccc1OCC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000017963047 564013432 /nfs/dbraw/zinc/01/34/32/564013432.db2.gz RXXZNTZDGSVAHN-GFCCVEGCSA-N 0 0 338.234 4.558 50 0 EJAARN Cc1[nH]c2ccc(C(=O)N(C)Cc3cccc(Cl)c3)cc2c1C ZINC000018008521 564014918 /nfs/dbraw/zinc/01/49/18/564014918.db2.gz ISWXHHMDDUHZIZ-UHFFFAOYSA-N 0 0 326.827 4.710 50 0 EJAARN CSc1ccccc1Nc1ncnc2c1cnn2-c1cccc(C)c1 ZINC000018009067 564015003 /nfs/dbraw/zinc/01/50/03/564015003.db2.gz AMOCIPVUFVTFDR-UHFFFAOYSA-N 0 0 347.447 4.589 50 0 EJAARN CO[C@H](CNC(=O)Nc1ccccc1Cl)c1ccccc1Cl ZINC000206855765 564015286 /nfs/dbraw/zinc/01/52/86/564015286.db2.gz OREBIIAELLYCGX-OAHLLOKOSA-N 0 0 339.222 4.503 50 0 EJAARN Cc1ccc2nc(NC(=O)c3nc(Cl)ccc3Cl)sc2c1 ZINC000014739842 564016468 /nfs/dbraw/zinc/01/64/68/564016468.db2.gz KRUNKYWWSUDFDS-UHFFFAOYSA-N 0 0 338.219 4.559 50 0 EJAARN COc1cccc(COc2cc3oc(=O)c(C)c(C)c3cc2Cl)c1 ZINC000000488913 564017372 /nfs/dbraw/zinc/01/73/72/564017372.db2.gz WPLHHPNWELCMML-UHFFFAOYSA-N 0 0 344.794 4.651 50 0 biogenic EJAARN CC(C)c1ccc(NC(=O)C[C@H](C)CC(=O)Nc2ccccc2)cc1 ZINC000018094059 564018021 /nfs/dbraw/zinc/01/80/21/564018021.db2.gz UVYQFCXVCFQJPQ-MRXNPFEDSA-N 0 0 338.451 4.804 50 0 EJAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1cc2ccccc2s1 ZINC000018119082 564018200 /nfs/dbraw/zinc/01/82/00/564018200.db2.gz ULWZNEJQOVOFHO-UHFFFAOYSA-N 0 0 345.445 4.619 50 0 EJAARN c1c(-c2ccccc2)c2c(ncnc2N2CCCC2)n1-c1ccccc1 ZINC000000499022 564018271 /nfs/dbraw/zinc/01/82/71/564018271.db2.gz WDCQLNYTOSHRHT-UHFFFAOYSA-N 0 0 340.430 4.688 50 0 EJAARN COCc1c2ccccc2oc1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000005681422 564018526 /nfs/dbraw/zinc/01/85/26/564018526.db2.gz KSXLOLWDUAIPJB-UHFFFAOYSA-N 0 0 333.746 4.624 50 0 EJAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc(C(=O)c2ccccc2)cc1 ZINC000018193329 564018618 /nfs/dbraw/zinc/01/86/18/564018618.db2.gz ZWMOSFFEJRHRHR-UHFFFAOYSA-N 0 0 349.817 4.752 50 0 EJAARN CCc1cc2c([nH]c(-c3ccc(-c4ccc(O)cc4)cc3)nc2=O)s1 ZINC000018203843 564018780 /nfs/dbraw/zinc/01/87/80/564018780.db2.gz RUTKUVKECZYNHO-UHFFFAOYSA-N 0 0 348.427 4.587 50 0 EJAARN C[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1nc2ccccc2[nH]1 ZINC000012681348 564018792 /nfs/dbraw/zinc/01/87/92/564018792.db2.gz RMCXOBDDGIQNJY-VIFPVBQESA-N 0 0 349.221 4.752 50 0 EJAARN Cc1ccc(NC(=O)C(C)(C)c2ccccc2)c(Br)c1 ZINC000012818672 564019182 /nfs/dbraw/zinc/01/91/82/564019182.db2.gz ZULQNVMVKHCQKZ-UHFFFAOYSA-N 0 0 332.241 4.674 50 0 EJAARN COc1ccc(O[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000000514485 564020432 /nfs/dbraw/zinc/02/04/32/564020432.db2.gz YPIDMQYLIAPRSE-NSHDSACASA-N 0 0 330.771 4.539 50 0 EJAARN CCc1cc2c(cc1OC(C)=O)occ(-c1cc3ccccc3o1)c2=O ZINC000000517574 564020470 /nfs/dbraw/zinc/02/04/70/564020470.db2.gz QUSZDZOQKPFBIS-UHFFFAOYSA-N 0 0 348.354 4.694 50 0 biogenic EJAARN O=C(Nc1cccc2ccccc21)N1CCCC[C@H]1c1cccnc1 ZINC000000519798 564020553 /nfs/dbraw/zinc/02/05/53/564020553.db2.gz XKQCNVALTXDQFY-FQEVSTJZSA-N 0 0 331.419 4.994 50 0 biogenic EJAARN O=C(Nc1cccc2ccccc21)N1CCCC[C@@H]1c1cccnc1 ZINC000000519799 564020558 /nfs/dbraw/zinc/02/05/58/564020558.db2.gz XKQCNVALTXDQFY-HXUWFJFHSA-N 0 0 331.419 4.994 50 0 biogenic EJAARN Cc1ccc(NC(=O)N[C@@H]2c3ccccc3-c3cc(C)ncc32)cc1 ZINC000000521509 564021022 /nfs/dbraw/zinc/02/10/22/564021022.db2.gz MASDLBUOWOLRKP-HXUWFJFHSA-N 0 0 329.403 4.590 50 0 EJAARN O=C(Nc1cccc(Cl)c1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000000523296 564021148 /nfs/dbraw/zinc/02/11/48/564021148.db2.gz HBIWVFOHLHKYBH-UHFFFAOYSA-N 0 0 343.789 4.551 50 0 EJAARN Fc1ccccc1-n1c(-c2ccccc2)nc2nc3ccccc3nc21 ZINC000000523060 564021154 /nfs/dbraw/zinc/02/11/54/564021154.db2.gz FHYJZIBTGCKLNZ-UHFFFAOYSA-N 0 0 340.361 4.775 50 0 EJAARN COc1ccc(C(=O)Nc2cccc(Oc3ccccc3)c2)c(F)c1 ZINC000014202282 564022011 /nfs/dbraw/zinc/02/20/11/564022011.db2.gz UZMORRHWKRMVQG-UHFFFAOYSA-N 0 0 337.350 4.879 50 0 EJAARN CCOc1ccc2[nH]c3c(ncnc3NCCC3=CCCCC3)c2c1 ZINC000000534261 564022035 /nfs/dbraw/zinc/02/20/35/564022035.db2.gz WCUQVQUPGJPBCE-UHFFFAOYSA-N 0 0 336.439 4.812 50 0 EJAARN Cc1sc2c(c1C)C(=O)N[C@H](c1c(Cl)cccc1Cl)N2 ZINC000000535102 564022069 /nfs/dbraw/zinc/02/20/69/564022069.db2.gz NENHSSRVWFCXKY-LBPRGKRZSA-N 0 0 327.236 4.526 50 0 EJAARN Fc1ccccc1-c1nc2nc3ccccc3nc2n1C1CCCC1 ZINC000000537105 564022221 /nfs/dbraw/zinc/02/22/21/564022221.db2.gz FARLZOBNPSPHDM-UHFFFAOYSA-N 0 0 332.382 4.901 50 0 EJAARN CC(C)c1ccc(/C=C/C(=O)Nc2ccc3oc(=O)ccc3c2)cc1 ZINC000000539617 564022301 /nfs/dbraw/zinc/02/23/01/564022301.db2.gz YDGKYFFSVGOLEU-VZUCSPMQSA-N 0 0 333.387 4.568 50 0 EJAARN CC(C)Cn1c(-c2ccccc2Cl)nc2nc3ccccc3nc21 ZINC000000542728 564022427 /nfs/dbraw/zinc/02/24/27/564022427.db2.gz VQABAFHVTDJQCO-UHFFFAOYSA-N 0 0 336.826 4.956 50 0 EJAARN CC(C)CNc1ncnc2c3c4c(c(C(C)C)nc3sc21)CCC4 ZINC000000540290 564022445 /nfs/dbraw/zinc/02/24/45/564022445.db2.gz OFMONBXJJRFZTF-UHFFFAOYSA-N 0 0 340.496 4.920 50 0 EJAARN COC(=O)C(F)(F)Sc1c2ccccc2[nH]c1-c1ccccc1 ZINC000000550644 564022870 /nfs/dbraw/zinc/02/28/70/564022870.db2.gz SPYNGSHLGHZNRS-UHFFFAOYSA-N 0 0 333.359 4.693 50 0 EJAARN CC(C)(C)c1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1 ZINC000000548503 564022877 /nfs/dbraw/zinc/02/28/77/564022877.db2.gz BHGNSDKNTQDTIJ-UHFFFAOYSA-N 0 0 345.255 4.786 50 0 EJAARN CC(C)(C)c1ccc(OCC(=O)Nc2cccc3cccnc32)cc1 ZINC000000556473 564023153 /nfs/dbraw/zinc/02/31/53/564023153.db2.gz UOOALXWBMLZHKI-UHFFFAOYSA-N 0 0 334.419 4.550 50 0 EJAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cccs1 ZINC000000557980 564023166 /nfs/dbraw/zinc/02/31/66/564023166.db2.gz CZZNQFKVQYGREB-UHFFFAOYSA-N 0 0 340.370 4.619 50 0 EJAARN Cc1ccc(C(=O)[C@H](OC(=O)Cc2ccccc2)c2ccccc2)cc1 ZINC000000571987 564023791 /nfs/dbraw/zinc/02/37/91/564023791.db2.gz ZCYZNMAAPVTGGB-HSZRJFAPSA-N 0 0 344.410 4.705 50 0 EJAARN CC(=O)c1cccc(NC(=O)C(=Cc2ccco2)c2ccccc2)c1 ZINC000000581624 564024978 /nfs/dbraw/zinc/02/49/78/564024978.db2.gz BQXSCQCJBBHODK-XSFVSMFZSA-N 0 0 331.371 4.662 50 0 EJAARN C[C@@H]1CCC[C@H](NC(=O)CSCc2ccc(F)cc2Cl)[C@H]1C ZINC000105926598 564025378 /nfs/dbraw/zinc/02/53/78/564025378.db2.gz IVOQSVZALFSFDG-WQGACYEGSA-N 0 0 343.895 4.653 50 0 EJAARN CCCc1noc([C@H](C)Nc2ccc(-c3csc(C)n3)cc2)n1 ZINC000046814979 564025423 /nfs/dbraw/zinc/02/54/23/564025423.db2.gz YXSQCJOMKGXLOP-NSHDSACASA-N 0 0 328.441 4.627 50 0 EJAARN Cc1ccc(-c2cc(-c3nc(-c4cccc(F)c4)no3)n[nH]2)cc1C ZINC000046914255 564025531 /nfs/dbraw/zinc/02/55/31/564025531.db2.gz JNTIMONVJZKTBX-UHFFFAOYSA-N 0 0 334.354 4.550 50 0 EJAARN Cc1ccc(-c2cc(-c3nc(-c4ccccc4C)no3)n[nH]2)c(C)c1 ZINC000046914147 564025534 /nfs/dbraw/zinc/02/55/34/564025534.db2.gz CJLDKFPBGKOHPY-UHFFFAOYSA-N 0 0 330.391 4.719 50 0 EJAARN Cc1ccc(-c2cc(-c3nc(-c4ccc(F)cc4)no3)n[nH]2)c(C)c1 ZINC000046914182 564025536 /nfs/dbraw/zinc/02/55/36/564025536.db2.gz AHIFRHMIVJIOME-UHFFFAOYSA-N 0 0 334.354 4.550 50 0 EJAARN COC(=O)c1c(Nc2cc(C)cc(C)c2)onc1-c1ccc(F)cc1 ZINC000046914471 564025598 /nfs/dbraw/zinc/02/55/98/564025598.db2.gz HPOYQFUPORPVQZ-UHFFFAOYSA-N 0 0 340.354 4.628 50 0 EJAARN C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Cc1cccs1 ZINC000045262423 564028337 /nfs/dbraw/zinc/02/83/37/564028337.db2.gz OYJMAGKEENTIDI-JTQLQIEISA-N 0 0 328.264 4.817 50 0 EJAARN O=C1Cc2c3cc(OCc4ccccc4)ccc3[nH]c2[C@@H]2CC=CC[C@@H]12 ZINC000045303140 564028354 /nfs/dbraw/zinc/02/83/54/564028354.db2.gz ZSRBXTYDRKHHDB-QZTJIDSGSA-N 0 0 343.426 4.922 50 0 EJAARN O=C(Nc1ccc(N2CCCCC2)nc1)c1occc1-c1ccccc1 ZINC000045828348 564028717 /nfs/dbraw/zinc/02/87/17/564028717.db2.gz CUOZGXORETXXRN-UHFFFAOYSA-N 0 0 347.418 4.584 50 0 EJAARN CCCCOC(=O)c1nc2ccccc2nc1Nc1cc(C)ccc1C ZINC000045901550 564028833 /nfs/dbraw/zinc/02/88/33/564028833.db2.gz NBLDGLIMJXDJMW-UHFFFAOYSA-N 0 0 349.434 4.947 50 0 EJAARN O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000046018053 564029215 /nfs/dbraw/zinc/02/92/15/564029215.db2.gz AWSOIBRTROEEFK-MRXNPFEDSA-N 0 0 337.316 4.822 50 0 EJAARN O=C(Cc1ccc(F)cc1Cl)N1CCC[C@H]1c1cccc(F)c1 ZINC000046018067 564029222 /nfs/dbraw/zinc/02/92/22/564029222.db2.gz OKXGLSGOJYCERL-KRWDZBQOSA-N 0 0 335.781 4.524 50 0 EJAARN CCOc1ccccc1NC(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000046018563 564029272 /nfs/dbraw/zinc/02/92/72/564029272.db2.gz WGIOBHPLOBRBKL-KRWDZBQOSA-N 0 0 328.387 4.593 50 0 EJAARN CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CCC(=O)C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004369594 564029819 /nfs/dbraw/zinc/02/98/19/564029819.db2.gz SYTVBUBBHFDVIK-DOWNMTAOSA-N 0 0 332.484 4.530 50 0 EJAARN CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC(=O)[C@]4(C)[C@@H]3CC[C@]12C ZINC000004369638 564029862 /nfs/dbraw/zinc/02/98/62/564029862.db2.gz VRKZRMXFPPHWKJ-VMXMZTHUSA-N 0 0 332.484 4.530 50 0 EJAARN O=C(Cc1ccc2ccccc2c1)Nc1cccc(-c2cnco2)c1 ZINC000048204925 564030051 /nfs/dbraw/zinc/03/00/51/564030051.db2.gz AFUZLMDFUUMLMW-UHFFFAOYSA-N 0 0 328.371 4.676 50 0 EJAARN CCc1cccc(N[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000048254038 564030489 /nfs/dbraw/zinc/03/04/89/564030489.db2.gz ODPNAWVUNYJKMJ-GFCCVEGCSA-N 0 0 336.357 4.707 50 0 EJAARN O=C(Cc1c(F)cccc1Cl)Nc1ccc(-c2ccccc2)cn1 ZINC000048312110 564030793 /nfs/dbraw/zinc/03/07/93/564030793.db2.gz JBQXXXCQWYXYSM-UHFFFAOYSA-N 0 0 340.785 4.722 50 0 EJAARN Cc1ncsc1C(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000048326277 564030968 /nfs/dbraw/zinc/03/09/68/564030968.db2.gz GOIDDGSDZQZJSL-INIZCTEOSA-N 0 0 328.481 4.726 50 0 EJAARN COc1ccc(NC(=O)N2CCCCCCC2)c(C(F)(F)F)c1 ZINC000048550316 564031978 /nfs/dbraw/zinc/03/19/78/564031978.db2.gz WCULFURVDJRMDC-UHFFFAOYSA-N 0 0 330.350 4.512 50 0 EJAARN COc1ccc(Br)cc1NC(=O)c1c(C)cc(C)cc1C ZINC000049571943 564032814 /nfs/dbraw/zinc/03/28/14/564032814.db2.gz ISKRCOSGUQVCRW-UHFFFAOYSA-N 0 0 348.240 4.635 50 0 EJAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCCCC[C@H]1c1ccncc1 ZINC000049765228 564032866 /nfs/dbraw/zinc/03/28/66/564032866.db2.gz RLHWDKNRZIZIOV-KRWDZBQOSA-N 0 0 348.368 4.858 50 0 EJAARN Cc1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)o2)cc1C ZINC000012248478 564033238 /nfs/dbraw/zinc/03/32/38/564033238.db2.gz VFKLNMXLZINSQF-UHFFFAOYSA-N 0 0 336.420 4.522 50 0 EJAARN O=C(C[C@H]1C=CCC1)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000024709368 564033328 /nfs/dbraw/zinc/03/33/28/564033328.db2.gz FAIYFVMRIUTUHO-AOMKIAJQSA-N 0 0 331.415 4.995 50 0 EJAARN CCc1ccc(Nc2nc3ccccc3c(=O)n2-c2ccccc2)cc1 ZINC000006822185 564033556 /nfs/dbraw/zinc/03/35/56/564033556.db2.gz YANMAOJXLWVUDC-UHFFFAOYSA-N 0 0 341.414 4.692 50 0 EJAARN CC[C@@H]1CN(C(=O)Nc2ccc(F)cc2)c2cc(Cl)ccc2O1 ZINC000006843037 564033635 /nfs/dbraw/zinc/03/36/35/564033635.db2.gz KLWGLXVOUCYVCY-CQSZACIVSA-N 0 0 334.778 4.689 50 0 EJAARN COc1c(F)cc(NC(=O)c2c(Cl)cccc2Cl)cc1F ZINC000081564676 564033643 /nfs/dbraw/zinc/03/36/43/564033643.db2.gz VOCVVZQDCBCYPI-UHFFFAOYSA-N 0 0 332.133 4.533 50 0 EJAARN Nc1ccc(Oc2cccc(Br)c2)cc1C(F)(F)F ZINC000021804585 564034087 /nfs/dbraw/zinc/03/40/87/564034087.db2.gz WCCYVAMTYJDIHI-UHFFFAOYSA-N 0 0 332.119 4.842 50 0 EJAARN COc1ccc2[nH]c(SCc3cc(-c4ccccc4)on3)nc2c1 ZINC000007219968 564034258 /nfs/dbraw/zinc/03/42/58/564034258.db2.gz HLAJAHPQSJNTEW-UHFFFAOYSA-N 0 0 337.404 4.519 50 0 EJAARN Cc1ccc(NC(=O)Nc2ccc(F)cc2F)c(Br)c1 ZINC000034651553 564034446 /nfs/dbraw/zinc/03/44/46/564034446.db2.gz XSGXXHYZLDQFPV-UHFFFAOYSA-N 0 0 341.155 4.680 50 0 EJAARN c1ccc(CNc2nnc(C34CC5CC(CC(C5)C3)C4)s2)cc1 ZINC000005773688 564034527 /nfs/dbraw/zinc/03/45/27/564034527.db2.gz WLZLOUJBBZJSEU-UHFFFAOYSA-N 0 0 325.481 4.618 50 0 EJAARN Clc1ccc(Cn2c3ccccc3nc2NCc2ccncc2)cc1 ZINC000000803242 564034530 /nfs/dbraw/zinc/03/45/30/564034530.db2.gz QWLSILQFYQIXME-UHFFFAOYSA-N 0 0 348.837 4.745 50 0 EJAARN O=C(Nc1ccc(SC(F)F)cc1)c1ccc2ncsc2c1 ZINC000007973703 564034551 /nfs/dbraw/zinc/03/45/51/564034551.db2.gz BLPCTKRFZFJGDZ-UHFFFAOYSA-N 0 0 336.388 4.863 50 0 EJAARN C[C@@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)s1)c1cccnc1 ZINC000007987415 564034633 /nfs/dbraw/zinc/03/46/33/564034633.db2.gz NUDSFWPBIBNVMI-GFCCVEGCSA-N 0 0 342.851 4.955 50 0 EJAARN O=C(NCCc1ccc(-c2ccoc2)s1)c1ccccc1Cl ZINC000390832526 564034968 /nfs/dbraw/zinc/03/49/68/564034968.db2.gz ZYSPOKUDBOSFJZ-UHFFFAOYSA-N 0 0 331.824 4.634 50 0 EJAARN CCc1ccc(-c2noc(CSc3nc4ccccc4o3)n2)cc1 ZINC000008290210 564034974 /nfs/dbraw/zinc/03/49/74/564034974.db2.gz ZFRPEEAJGBYWGK-UHFFFAOYSA-N 0 0 337.404 4.733 50 0 EJAARN COc1ccccc1NC(=O)CCSCc1cc(C)cc(C)c1 ZINC000032778752 564036222 /nfs/dbraw/zinc/03/62/22/564036222.db2.gz QESAQEZMMZWWTL-UHFFFAOYSA-N 0 0 329.465 4.574 50 0 EJAARN COc1ccc(C(=O)C[C@@H](c2ccccc2)[C@@H]2CCCCC2=O)cc1 ZINC000000432115 564036701 /nfs/dbraw/zinc/03/67/01/564036701.db2.gz AEPJJSIKAPYQBL-PMACEKPBSA-N 0 0 336.431 4.811 50 0 EJAARN COc1ccc(OC)c(CNC(c2ccccc2)c2ccccc2)c1 ZINC000025260251 564036906 /nfs/dbraw/zinc/03/69/06/564036906.db2.gz UMYHZFPHAWVQOS-UHFFFAOYSA-N 0 0 333.431 4.583 50 0 EJAARN CCCO[C@@H]1CCCN(C(=O)c2ccc(-c3cccc(F)c3)cc2)C1 ZINC000222656293 564037331 /nfs/dbraw/zinc/03/73/31/564037331.db2.gz CEBMZIARJQIPGJ-HXUWFJFHSA-N 0 0 341.426 4.524 50 0 EJAARN Cc1ccc(C(=O)COc2ccc(Cl)c3cccnc23)cc1C ZINC000028047709 564043496 /nfs/dbraw/zinc/04/34/96/564043496.db2.gz VZJWUJWPZCWWAG-UHFFFAOYSA-N 0 0 325.795 4.767 50 0 EJAARN CC(=O)c1ccccc1C(=O)Nc1ncc(-c2ccccc2C)s1 ZINC000225449855 564046874 /nfs/dbraw/zinc/04/68/74/564046874.db2.gz DNOPWVSXIWZLMQ-UHFFFAOYSA-N 0 0 336.416 4.573 50 0 EJAARN O=C(c1sc2ccccc2c1Cl)N1CC[C@H](c2ccccn2)C1 ZINC000225600028 564048252 /nfs/dbraw/zinc/04/82/52/564048252.db2.gz QNHJOJIOLFUPPX-LBPRGKRZSA-N 0 0 342.851 4.579 50 0 EJAARN O=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 ZINC000033343469 564050131 /nfs/dbraw/zinc/05/01/31/564050131.db2.gz LQQKFMQBKAGDMX-XNTDXEJSSA-N 0 0 329.808 4.577 50 0 EJAARN O=C(Nc1ccc2[nH]c(-c3ccc(Cl)o3)nc2c1)c1cccs1 ZINC000231426823 564051197 /nfs/dbraw/zinc/05/11/97/564051197.db2.gz OGFZSPWCGGFXPS-UHFFFAOYSA-N 0 0 343.795 4.790 50 0 EJAARN Cc1cccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)n1 ZINC000005798997 564052246 /nfs/dbraw/zinc/05/22/46/564052246.db2.gz 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ZINC000004056142 564061679 /nfs/dbraw/zinc/06/16/79/564061679.db2.gz CHSGMSKKQNWQKP-LLVKDONJSA-N 0 0 328.213 4.565 50 0 EJAARN O=c1oc(Nc2ccc(C(F)(F)F)cc2)nc2ccc(Cl)cc12 ZINC000004050033 564061681 /nfs/dbraw/zinc/06/16/81/564061681.db2.gz XEHLRDSARRJQOC-UHFFFAOYSA-N 0 0 340.688 4.604 50 0 EJAARN O=C(Nc1nnc(-c2ccc(F)cc2)s1)c1ccc2ccccc2c1 ZINC000004079037 564061815 /nfs/dbraw/zinc/06/18/15/564061815.db2.gz UAAITJFTCCTGKW-UHFFFAOYSA-N 0 0 349.390 4.750 50 0 EJAARN O=C(Nc1ccc(N2CCCCC2=O)cc1)c1cccc2ccccc21 ZINC000005441249 564062473 /nfs/dbraw/zinc/06/24/73/564062473.db2.gz OVCIZBIDOTYGCE-UHFFFAOYSA-N 0 0 344.414 4.609 50 0 EJAARN O=C(Nc1ccc(Cl)cc1)Nc1cccc(N2CCCCC2=O)c1 ZINC000005441716 564062477 /nfs/dbraw/zinc/06/24/77/564062477.db2.gz GITQTMUSSCJODF-UHFFFAOYSA-N 0 0 343.814 4.501 50 0 EJAARN COc1cnc(SCc2c(Cl)cccc2Cl)nc1Cl ZINC000001391936 564064516 /nfs/dbraw/zinc/06/45/16/564064516.db2.gz CIUYXQBWHOLYJI-UHFFFAOYSA-N 0 0 335.643 4.738 50 0 EJAARN Cc1cc(Br)ccc1NC(=O)/C=C/c1cccc(F)c1 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326.484 4.679 50 0 EJAARN FC(F)(F)c1ccc(-c2nn3c(nnc3-c3ccccc3)s2)cc1 ZINC000006787814 564097802 /nfs/dbraw/zinc/09/78/02/564097802.db2.gz XFZGIJKQZYHEKB-UHFFFAOYSA-N 0 0 346.337 4.539 50 0 EJAARN Cc1ccccc1-c1cc(C(=O)NC2CC2)c2cccc(Cl)c2n1 ZINC000006789858 564097922 /nfs/dbraw/zinc/09/79/22/564097922.db2.gz YILMBVMEXZUWTQ-UHFFFAOYSA-N 0 0 336.822 4.756 50 0 EJAARN COc1ccc(C(C)(C)C)cc1NC(=O)COc1c(C)cccc1C ZINC000006790700 564097952 /nfs/dbraw/zinc/09/79/52/564097952.db2.gz IHFAHCKALVDCJJ-UHFFFAOYSA-N 0 0 341.451 4.627 50 0 EJAARN CCn1c2cc(C)ccc2c(C[NH2+]CCC2=CCCCC2)c1C(=O)[O-] ZINC000006795352 564098108 /nfs/dbraw/zinc/09/81/08/564098108.db2.gz BKQRIJIGVRYQKU-UHFFFAOYSA-N 0 0 340.467 4.648 50 0 EJAARN Cc1cc(C)n(Cc2ccc(F)cc2)c1C(=O)Nc1cccc(C)c1 ZINC000006800911 564098206 /nfs/dbraw/zinc/09/82/06/564098206.db2.gz WCIDFKGWQZODOC-UHFFFAOYSA-N 0 0 336.410 4.853 50 0 EJAARN CCn1c(C(=O)NCCC2=CCCCC2)cc2sc(Cl)cc21 ZINC000006804720 564098368 /nfs/dbraw/zinc/09/83/68/564098368.db2.gz 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/nfs/dbraw/zinc/09/87/83/564098783.db2.gz VHYFVRBONSSWMW-UHFFFAOYSA-N 0 0 342.801 4.713 50 0 EJAARN CC(C)(C)CC(C)(C)NC(=O)c1cc2cc(Cl)ccc2oc1=N ZINC000006823723 564098894 /nfs/dbraw/zinc/09/88/94/564098894.db2.gz KJTYRCLXRGGLKB-UHFFFAOYSA-N 0 0 334.847 4.510 50 0 EJAARN CCCN(C(=O)Cc1noc2ccccc21)c1ccc(C(C)C)cc1 ZINC000006836356 564099270 /nfs/dbraw/zinc/09/92/70/564099270.db2.gz JQNRZEWBPNRELZ-UHFFFAOYSA-N 0 0 336.435 4.937 50 0 EJAARN CC(C)(C)c1ccc(C(=O)Nc2nnc(SCC3CC3)s2)cc1 ZINC000006838618 564099287 /nfs/dbraw/zinc/09/92/87/564099287.db2.gz VEIHEVLOBYRBNM-UHFFFAOYSA-N 0 0 347.509 4.590 50 0 EJAARN Cc1ccc2c(c1)N(C(=O)Nc1cccc3c1CCCC3)C[C@@H](C)O2 ZINC000006842810 564099454 /nfs/dbraw/zinc/09/94/54/564099454.db2.gz ZPJOXRKYCWCAOV-OAHLLOKOSA-N 0 0 336.435 4.693 50 0 EJAARN CCOc1ccc(NC(=O)N2C[C@H](CC)Oc3ccc(C)cc32)cc1 ZINC000006843249 564099471 /nfs/dbraw/zinc/09/94/71/564099471.db2.gz UDOWCQUNPCYRTF-INIZCTEOSA-N 0 0 340.423 4.603 50 0 EJAARN CC[C@@H]1CN(C(=O)Nc2ccc(C)c(F)c2)c2cc(C)ccc2O1 ZINC000006843405 564099528 /nfs/dbraw/zinc/09/95/28/564099528.db2.gz UERPCAFBPOFVCO-OAHLLOKOSA-N 0 0 328.387 4.652 50 0 EJAARN CC[C@H]1CN(C(=O)Nc2cc(C)ccc2OC)c2cc(C)ccc2O1 ZINC000006843480 564099535 /nfs/dbraw/zinc/09/95/35/564099535.db2.gz UBQYWPXSLPXHSN-HNNXBMFYSA-N 0 0 340.423 4.522 50 0 EJAARN C[C@@H]1CCc2ccccc2N1C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000006850027 564099574 /nfs/dbraw/zinc/09/95/74/564099574.db2.gz HTYDLFAFNUQRJA-CYBMUJFWSA-N 0 0 333.353 4.616 50 0 EJAARN C[C@H](CCc1ccccc1)NC(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000006852849 564099651 /nfs/dbraw/zinc/09/96/51/564099651.db2.gz VHUNXTIXVSWINP-MRXNPFEDSA-N 0 0 341.882 4.899 50 0 EJAARN CCCCNC(=O)CCc1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000006858134 564099691 /nfs/dbraw/zinc/09/96/91/564099691.db2.gz LVNLALOUJQUGBQ-UHFFFAOYSA-N 0 0 348.490 4.847 50 0 EJAARN CSc1ccc(CNC(=O)c2ccc(-c3cccc(C)c3)nc2)cc1 ZINC000065030041 564099707 /nfs/dbraw/zinc/09/97/07/564099707.db2.gz NATPZYIWLWLZTE-UHFFFAOYSA-N 0 0 348.471 4.709 50 0 EJAARN COC(=O)c1cc(Nc2cccc(Cl)c2)c2cccc(C)c2n1 ZINC000065033657 564099902 /nfs/dbraw/zinc/09/99/02/564099902.db2.gz MWCQUNFNNWHPOD-UHFFFAOYSA-N 0 0 326.783 4.727 50 0 EJAARN CCOc1ccc(NC(=O)N2C[C@@H](C)Sc3ccccc32)cc1 ZINC000006876928 564100298 /nfs/dbraw/zinc/10/02/98/564100298.db2.gz RSYVCJIWYVLPOW-CYBMUJFWSA-N 0 0 328.437 4.618 50 0 EJAARN C[C@@H]1CSC(N(C(=O)[C@H]2CC=CCC2)c2ccc(Cl)cc2)=N1 ZINC000006880393 564100489 /nfs/dbraw/zinc/10/04/89/564100489.db2.gz DGZBAAFPOXFBTQ-OLZOCXBDSA-N 0 0 334.872 4.521 50 0 EJAARN CC(=O)[C@H](Oc1ccc(C(=O)c2ccc(F)cc2)cc1)c1ccccc1 ZINC000006881522 564100565 /nfs/dbraw/zinc/10/05/65/564100565.db2.gz YCDBVVPFUDDCJT-QFIPXVFZSA-N 0 0 348.373 4.766 50 0 EJAARN COc1ccc(CCC(=O)Nc2cc(C(C)(C)C)ccc2OC)cc1 ZINC000006886513 564100678 /nfs/dbraw/zinc/10/06/78/564100678.db2.gz IHRBJFXHKACSOV-UHFFFAOYSA-N 0 0 341.451 4.573 50 0 EJAARN Cc1nnc(SCc2c(F)cccc2Cl)c2cc3occc3n21 ZINC000006894127 564100962 /nfs/dbraw/zinc/10/09/62/564100962.db2.gz ZOJZJAZMPISXQO-UHFFFAOYSA-N 0 0 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4.737 50 0 EJAARN CCc1nnc([C@@H](C)Nc2ccc(Oc3cccc(F)c3)cc2)o1 ZINC000170003887 564104773 /nfs/dbraw/zinc/10/47/73/564104773.db2.gz SBZVMSHMBBZTDU-GFCCVEGCSA-N 0 0 327.359 4.737 50 0 EJAARN Cc1nc(-c2ccc(F)cc2)c(CC(=O)NC2CCCCCC2)s1 ZINC000007264568 564106105 /nfs/dbraw/zinc/10/61/05/564106105.db2.gz BJKTUXAFAYEURU-UHFFFAOYSA-N 0 0 346.471 4.639 50 0 EJAARN CCn1c2ccccc2c2cc(NC(=O)Cc3ccccc3O)ccc21 ZINC000065474501 564106233 /nfs/dbraw/zinc/10/62/33/564106233.db2.gz IVCNUZDSLMNBEU-UHFFFAOYSA-N 0 0 344.414 4.701 50 0 EJAARN CC[C@H]1CCCCN1C(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000065497490 564106534 /nfs/dbraw/zinc/10/65/34/564106534.db2.gz CMWSIHAMOLZPFQ-HNNXBMFYSA-N 0 0 334.419 4.900 50 0 EJAARN COc1ccc(SCc2cc(=O)oc3cc(C)c(C)cc23)cc1 ZINC000007294653 564106558 /nfs/dbraw/zinc/10/65/58/564106558.db2.gz ZAAUJJYNMRNYHP-UHFFFAOYSA-N 0 0 326.417 4.711 50 0 EJAARN Cc1cc(Br)ccc1NC(=O)Cc1ccccc1Cl ZINC000007304506 564106641 /nfs/dbraw/zinc/10/66/41/564106641.db2.gz ZWSQDXXSUZHXKC-UHFFFAOYSA-N 0 0 338.632 4.592 50 0 EJAARN Cc1[nH]c2c(cccc2C(=O)N(C)Cc2ccc([C@@H]3C[C@H]3C)o2)c1C ZINC000065537274 564107218 /nfs/dbraw/zinc/10/72/18/564107218.db2.gz GTHHBUBZKSBMQU-KZULUSFZSA-N 0 0 336.435 4.773 50 0 EJAARN Cc1cccc(OCCCn2c3ccccc3nc2[C@@H]2CCCO2)c1 ZINC000007425454 564108379 /nfs/dbraw/zinc/10/83/79/564108379.db2.gz LJMOIGOMMBBYRZ-FQEVSTJZSA-N 0 0 336.435 4.665 50 0 EJAARN Cc1cccc(OCCCn2c3ccccc3nc2[C@H]2CCCO2)c1 ZINC000007425457 564108382 /nfs/dbraw/zinc/10/83/82/564108382.db2.gz LJMOIGOMMBBYRZ-HXUWFJFHSA-N 0 0 336.435 4.665 50 0 EJAARN CC(=O)Nc1ccc(S[C@H](C)C(=O)c2ccc(Cl)cc2)cc1 ZINC000007466869 564108706 /nfs/dbraw/zinc/10/87/06/564108706.db2.gz UBHGUEUDDUWLAV-LLVKDONJSA-N 0 0 333.840 4.662 50 0 EJAARN O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc2ccccc2n1 ZINC000007486037 564108879 /nfs/dbraw/zinc/10/88/79/564108879.db2.gz IYMXIWAJCXNMBS-UHFFFAOYSA-N 0 0 339.807 4.750 50 0 EJAARN CC[C@H](CC(F)(F)F)NC(=O)c1sc(-c2cccs2)nc1C ZINC000170595305 564109030 /nfs/dbraw/zinc/10/90/30/564109030.db2.gz FKEMMYGSGJGICK-SECBINFHSA-N 0 0 348.415 4.641 50 0 EJAARN COc1ccc(C2(C(=O)N[C@H](C)c3ccccc3)CCCCC2)cc1 ZINC000065711526 564109561 /nfs/dbraw/zinc/10/95/61/564109561.db2.gz CBXYBQUBQULXAM-QGZVFWFLSA-N 0 0 337.463 4.775 50 0 EJAARN CCn1c2ccccc2c2cc(NC(=S)NCc3ccco3)ccc21 ZINC000007527822 564109839 /nfs/dbraw/zinc/10/98/39/564109839.db2.gz UIJFCFZCUUWSIV-UHFFFAOYSA-N 0 0 349.459 4.894 50 0 EJAARN C[C@H](C[NH2+]CCCCCCC(=O)[O-])Cc1ccc(C(C)(C)C)cc1 ZINC000170612894 564109896 /nfs/dbraw/zinc/10/98/96/564109896.db2.gz UDOCDQVWNHUEQW-KRWDZBQOSA-N 0 0 333.516 4.787 50 0 EJAARN Cc1cccc(C(=O)N2N=C(c3ccsc3)C[C@H]2c2ccco2)c1 ZINC000170618189 564110110 /nfs/dbraw/zinc/11/01/10/564110110.db2.gz XUQNZPDJNHXCCD-KRWDZBQOSA-N 0 0 336.416 4.641 50 0 EJAARN CC(C)=C[C@@H]1[C@@H](C(=O)N[C@H](c2nccs2)c2ccccc2)C1(C)C ZINC000170621208 564110191 /nfs/dbraw/zinc/11/01/91/564110191.db2.gz OCCKDBGGTURBEV-IKGGRYGDSA-N 0 0 340.492 4.587 50 0 EJAARN Cc1ccc([C@H](NCc2nnc(-c3ccco3)o2)c2ccccc2)cc1 ZINC000007541744 564110199 /nfs/dbraw/zinc/11/01/99/564110199.db2.gz LTAHGMYSCRXPJT-HXUWFJFHSA-N 0 0 345.402 4.517 50 0 EJAARN Cc1ccc([C@@H](NCc2nnc(-c3ccco3)o2)c2ccccc2)cc1 ZINC000007541750 564110205 /nfs/dbraw/zinc/11/02/05/564110205.db2.gz LTAHGMYSCRXPJT-FQEVSTJZSA-N 0 0 345.402 4.517 50 0 EJAARN COc1ccc2cc(CNc3ncnc4cc(F)ccc43)ccc2c1 ZINC000170622057 564110240 /nfs/dbraw/zinc/11/02/40/564110240.db2.gz SXPNUSGGPGBPIS-UHFFFAOYSA-N 0 0 333.366 4.543 50 0 EJAARN CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(-c3nccc(C)n3)cc2)C1(C)C ZINC000170627098 564110467 /nfs/dbraw/zinc/11/04/67/564110467.db2.gz SIWHGUZOEXLWNQ-ZWKOTPCHSA-N 0 0 335.451 4.629 50 0 EJAARN Cc1ccccc1CNC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000009758366 564110716 /nfs/dbraw/zinc/11/07/16/564110716.db2.gz RVVUGFNGMPTNJG-GOSISDBHSA-N 0 0 328.843 4.599 50 0 EJAARN O=C(Nc1nccs1)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000042755475 564111117 /nfs/dbraw/zinc/11/11/17/564111117.db2.gz CZWAOAGOLNIFAH-KRWDZBQOSA-N 0 0 349.415 4.800 50 0 EJAARN COc1ccc(-c2nnc(SCc3cccc4cccnc43)o2)cc1 ZINC000010499335 564111386 /nfs/dbraw/zinc/11/13/86/564111386.db2.gz VTDHSKMJHXELOM-UHFFFAOYSA-N 0 0 349.415 4.586 50 0 EJAARN Cc1ccc(NC(=S)Nc2ccc(C(=O)OC(C)C)cc2)c(C)c1 ZINC000013796834 564112064 /nfs/dbraw/zinc/11/20/64/564112064.db2.gz LPSHGOGQVOWRFE-UHFFFAOYSA-N 0 0 342.464 4.678 50 0 EJAARN Cc1cc(C)cc(NC(=S)N2c3ccc(F)cc3CC[C@@H]2C)c1 ZINC000013829588 564112101 /nfs/dbraw/zinc/11/21/01/564112101.db2.gz HXRXFUZGMOKMCT-AWEZNQCLSA-N 0 0 328.456 4.981 50 0 EJAARN O=C(Nc1ccccc1F)N1CCC(Oc2ccccc2Cl)CC1 ZINC000152505160 564112205 /nfs/dbraw/zinc/11/22/05/564112205.db2.gz JDULEGCJFCVTLJ-UHFFFAOYSA-N 0 0 348.805 4.554 50 0 EJAARN Cc1ccc(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)cc1 ZINC000152501477 564112208 /nfs/dbraw/zinc/11/22/08/564112208.db2.gz NBNSEBUFIVIICV-UHFFFAOYSA-N 0 0 344.842 4.724 50 0 EJAARN c1cc(-c2nc(CNc3cccc(-c4nnco4)c3)cs2)cs1 ZINC000089780600 564113719 /nfs/dbraw/zinc/11/37/19/564113719.db2.gz MQNQMOOJDOJTLS-UHFFFAOYSA-N 0 0 340.433 4.534 50 0 EJAARN Fc1ccc(CSc2nccn3nc(-c4ccccc4)cc23)cc1 ZINC000016842532 564113792 /nfs/dbraw/zinc/11/37/92/564113792.db2.gz RNYPRHZLMVNRNE-UHFFFAOYSA-N 0 0 335.407 4.828 50 0 EJAARN Cc1cccc(NC(=O)Cc2csc(Nc3ccccc3)n2)c1C ZINC000016850090 564113925 /nfs/dbraw/zinc/11/39/25/564113925.db2.gz LJEIVRBLFMYZNM-UHFFFAOYSA-N 0 0 337.448 4.685 50 0 EJAARN O=C(Nc1cccc2ccccc21)N[C@H]1C[C@H]1c1c(F)cccc1F ZINC000089873250 564114613 /nfs/dbraw/zinc/11/46/13/564114613.db2.gz XTBUUEGENNFEOS-KDOFPFPSSA-N 0 0 338.357 4.796 50 0 EJAARN Clc1ccc2cccnc2c1CSc1ncc2ccccn21 ZINC000089878831 564114655 /nfs/dbraw/zinc/11/46/55/564114655.db2.gz JJSFCJWFFNMYAT-UHFFFAOYSA-N 0 0 325.824 4.828 50 0 EJAARN C[C@@H](NC(=O)c1ccccc1SCc1cccs1)C1CCC1 ZINC000089894237 564114926 /nfs/dbraw/zinc/11/49/26/564114926.db2.gz BTSPELLYRIQWOS-CYBMUJFWSA-N 0 0 331.506 4.959 50 0 EJAARN CCc1ccccc1NC(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000014710848 564115963 /nfs/dbraw/zinc/11/59/63/564115963.db2.gz QXYYXIFQXGLOGQ-UHFFFAOYSA-N 0 0 339.366 4.812 50 0 EJAARN Cc1ccc2cc(C(=O)N3C[C@H](c4ccccc4C)C[C@@H]3C)[nH]c2c1 ZINC000170634441 564116574 /nfs/dbraw/zinc/11/65/74/564116574.db2.gz DGNZUULCKOTSNO-FUHWJXTLSA-N 0 0 332.447 4.803 50 0 EJAARN Cc1cc(C)cc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 ZINC000000150806 564116653 /nfs/dbraw/zinc/11/66/53/564116653.db2.gz BFJLFLPJDRHTKJ-OAHLLOKOSA-N 0 0 331.843 4.980 50 0 EJAARN C/C=C/c1cc2c(c(OC)c1)O[C@@H](c1ccc(O)c(OC)c1)[C@@H]2C ZINC000000900152 564116809 /nfs/dbraw/zinc/11/68/09/564116809.db2.gz ITDOFWOJEDZPCF-OTBILJLCSA-N 0 0 326.392 4.680 50 0 biogenic,in-vitro EJAARN Cc1ccccc1C(=O)Oc1c(=O)c2ccccc2oc1-c1ccco1 ZINC000001972146 564116886 /nfs/dbraw/zinc/11/68/86/564116886.db2.gz WSGSZDFXOIFJPC-UHFFFAOYSA-N 0 0 346.338 4.581 50 0 EJAARN CCOc1cc(C=O)cc(Cl)c1OCCCOc1ccc(C)cc1 ZINC000002876888 564117109 /nfs/dbraw/zinc/11/71/09/564117109.db2.gz SQCODNRYNZRJBZ-UHFFFAOYSA-N 0 0 348.826 4.708 50 0 EJAARN Cc1ccc(NC(=O)[C@@H](C)N2CCC[C@H]2c2ccsc2)c(C)c1 ZINC000252452302 564118490 /nfs/dbraw/zinc/11/84/90/564118490.db2.gz BBWLQNXFFZVDJX-QAPCUYQASA-N 0 0 328.481 4.529 50 0 EJAARN COc1ccc2cc(/C=C/C(=O)N[C@@H](C)c3cccs3)ccc2c1 ZINC000014938218 564118512 /nfs/dbraw/zinc/11/85/12/564118512.db2.gz IGRQZYZRTFOHSI-XYYIANASSA-N 0 0 337.444 4.801 50 0 EJAARN CSc1ccc(C(=O)Nc2ccc(Cl)c3ncsc32)cc1 ZINC000007599063 564119016 /nfs/dbraw/zinc/11/90/16/564119016.db2.gz VRUHXLLTPBTNOG-UHFFFAOYSA-N 0 0 334.853 4.924 50 0 EJAARN COc1ccc2c(ccc3c(C(C)=O)cc(C(=O)c4ccccc4)n32)c1 ZINC000002544898 564119064 /nfs/dbraw/zinc/11/90/64/564119064.db2.gz PGVXHPIBNUXIRS-UHFFFAOYSA-N 0 0 343.382 4.535 50 0 EJAARN c1nnc2n1-c1cnccc1-c1c-2sc2ccc3ccccc3c21 ZINC000252495682 564119689 /nfs/dbraw/zinc/11/96/89/564119689.db2.gz OVYIIJSGSYVPGO-UHFFFAOYSA-N 0 0 326.384 4.678 50 0 EJAARN CC(C)(C)SC[C@@H]1CCCCN1C(=O)CCc1ccccc1F ZINC000390828744 564120143 /nfs/dbraw/zinc/12/01/43/564120143.db2.gz BUMHGHDLWUBGQF-INIZCTEOSA-N 0 0 337.504 4.671 50 0 EJAARN COCCNc1oc2c(c1-c1ccccc1)c(=O)oc1ccc(C)cc21 ZINC000007636155 564121380 /nfs/dbraw/zinc/12/13/80/564121380.db2.gz JSCDZUWPKNSCNA-UHFFFAOYSA-N 0 0 349.386 4.573 50 0 EJAARN COc1cccc(-c2nc(-c3cc(OC)ccc3OC)cs2)c1 ZINC000007643874 564121470 /nfs/dbraw/zinc/12/14/70/564121470.db2.gz KIEIVOGGNYSQKG-UHFFFAOYSA-N 0 0 327.405 4.503 50 0 EJAARN O=C(CSC1CCCC1)NC(c1ccccc1)c1ccccc1 ZINC000007655883 564121620 /nfs/dbraw/zinc/12/16/20/564121620.db2.gz KMLKJTULDSZQFZ-UHFFFAOYSA-N 0 0 325.477 4.568 50 0 EJAARN Cc1nc(NC(=O)c2cccc(OCc3ccccc3)c2)sc1C ZINC000007668630 564121736 /nfs/dbraw/zinc/12/17/36/564121736.db2.gz BIISUEXATHQXOM-UHFFFAOYSA-N 0 0 338.432 4.591 50 0 EJAARN Cc1ccnc(NC(=O)CSc2cccc3cccc(Cl)c32)c1 ZINC000007735027 564122398 /nfs/dbraw/zinc/12/23/98/564122398.db2.gz OXUDVWMTTVFUCN-UHFFFAOYSA-N 0 0 342.851 4.927 50 0 EJAARN O=C(COC(=O)c1cc(Cl)ccc1Cl)c1c[nH]c2ccccc21 ZINC000007735703 564122438 /nfs/dbraw/zinc/12/24/38/564122438.db2.gz JZNFRIMCBGGSQG-UHFFFAOYSA-N 0 0 348.185 4.514 50 0 EJAARN CCCCc1nc(-c2ccc(-c3ccc(Cl)cc3)nc2OC)no1 ZINC000002211183 564122735 /nfs/dbraw/zinc/12/27/35/564122735.db2.gz SMUIZKYFHIEHFZ-UHFFFAOYSA-N 0 0 343.814 4.803 50 0 EJAARN Fc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccccc2)cc1 ZINC000002216852 564123507 /nfs/dbraw/zinc/12/35/07/564123507.db2.gz HEAGUNIVOKTGLH-UHFFFAOYSA-N 0 0 340.361 4.775 50 0 EJAARN Cc1c2ccccc2oc1C(=O)Nc1nc(-c2ccccn2)cs1 ZINC000007804753 564123587 /nfs/dbraw/zinc/12/35/87/564123587.db2.gz VMAZQTQKKSBCEB-UHFFFAOYSA-N 0 0 335.388 4.512 50 0 EJAARN Fc1ccc(SCc2nc(-c3ccc(Cl)cc3)no2)cc1F ZINC000007806992 564123592 /nfs/dbraw/zinc/12/35/92/564123592.db2.gz JJXUOIQGWPBYEX-UHFFFAOYSA-N 0 0 338.766 4.961 50 0 EJAARN O=C(Cc1csc(-c2ccsc2)n1)Nc1ccc2c(c1)CCC2 ZINC000007808183 564123806 /nfs/dbraw/zinc/12/38/06/564123806.db2.gz JPLTZIZCSPXNSD-UHFFFAOYSA-N 0 0 340.473 4.542 50 0 EJAARN C[S@](=O)Cc1cc(NCc2cc3ccccc3o2)ccc1Cl ZINC000195559025 564123822 /nfs/dbraw/zinc/12/38/22/564123822.db2.gz YIYZLZCFYVFYRL-QFIPXVFZSA-N 0 0 333.840 4.577 50 0 EJAARN CCCCCc1nc2onc(-c3ccc(CCCC)s3)c2c(=O)[nH]1 ZINC000066089489 564124205 /nfs/dbraw/zinc/12/42/05/564124205.db2.gz YDVAITZJXOFYFW-UHFFFAOYSA-N 0 0 345.468 4.715 50 0 EJAARN O=C(N[C@H](c1ccccc1)C1CCCCC1)[C@H]1C[C@H]1c1cccnc1 ZINC000252679388 564124912 /nfs/dbraw/zinc/12/49/12/564124912.db2.gz LRWNYPQKAPOWHN-PCCBWWKXSA-N 0 0 334.463 4.623 50 0 EJAARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(F)cc1 ZINC000000110515 564124934 /nfs/dbraw/zinc/12/49/34/564124934.db2.gz KYWRLECSCXCTDD-UHFFFAOYSA-N 0 0 331.350 4.621 50 0 EJAARN C[C@@H](c1nnc(-c2cccs2)o1)N1CC=C(c2ccccc2)CC1 ZINC000007913194 564125128 /nfs/dbraw/zinc/12/51/28/564125128.db2.gz GQIOHWNVNOLQET-AWEZNQCLSA-N 0 0 337.448 4.648 50 0 EJAARN C[C@H](O)CCCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21 ZINC000095705017 564129468 /nfs/dbraw/zinc/12/94/68/564129468.db2.gz YHFHYHZNLCEAAP-AWEZNQCLSA-N 0 0 327.468 4.667 50 0 in-vitro EJAARN CCCCOc1cc2occ(-c3nc(C)cs3)c(=O)c2cc1CC ZINC000002281367 564130237 /nfs/dbraw/zinc/13/02/37/564130237.db2.gz NZDXWWKKEYTNHG-UHFFFAOYSA-N 0 0 343.448 4.966 50 0 EJAARN COP(=O)(OC)[C@@H](Nc1ccc(Cl)cc1)c1ccccc1 ZINC000002306212 564132131 /nfs/dbraw/zinc/13/21/31/564132131.db2.gz KONUECVLMWQWKY-OAHLLOKOSA-N 0 0 325.732 4.937 50 0 EJAARN Cc1cc(C)cc(N(C)C(=O)c2cc(-c3ccccc3)c(C)[nH]c2=O)c1 ZINC000253536898 564133053 /nfs/dbraw/zinc/13/30/53/564133053.db2.gz NANAOELODUMLTG-UHFFFAOYSA-N 0 0 346.430 4.656 50 0 EJAARN O=C(NCc1ccc(Cl)c(Cl)c1)O[C@H]1CCc2ccccc21 ZINC000027644612 564133619 /nfs/dbraw/zinc/13/36/19/564133619.db2.gz CKERQCMQSBFFKX-INIZCTEOSA-N 0 0 336.218 4.907 50 0 in-vitro EJAARN COc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1 ZINC000002367204 564133831 /nfs/dbraw/zinc/13/38/31/564133831.db2.gz SZGXFOQLDGGVFH-XSEIIIHRSA-N 0 0 348.446 4.563 50 0 EJAARN COc1cccc(-c2nc(-c3ccncc3Cl)cs2)c1OC ZINC000225455107 564134911 /nfs/dbraw/zinc/13/49/11/564134911.db2.gz SKSKZPUELIQOBD-UHFFFAOYSA-N 0 0 332.812 4.543 50 0 EJAARN CCN(Cc1cccc(NCc2ccc3nc(C)ccc3c2)c1)C(C)=O ZINC000225462478 564134995 /nfs/dbraw/zinc/13/49/95/564134995.db2.gz SIPRUVVLPFYJNS-UHFFFAOYSA-N 0 0 347.462 4.524 50 0 EJAARN COC1(OC)CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@H]2C1 ZINC000012661477 564135479 /nfs/dbraw/zinc/13/54/79/564135479.db2.gz LLKUOQXUUFDONQ-UDCWSGSHSA-N 0 0 334.500 4.587 50 0 biogenic EJAARN Cc1nn(-c2ccc(C(=O)Nc3ccc(F)cc3)cc2)c(C)c1Cl ZINC000012818891 564135619 /nfs/dbraw/zinc/13/56/19/564135619.db2.gz LJRGFMKHJQZEOX-UHFFFAOYSA-N 0 0 343.789 4.534 50 0 EJAARN CCc1c(C)nc2nc(-c3ccccc3)nn2c1Nc1cccc(F)c1 ZINC000013364803 564136270 /nfs/dbraw/zinc/13/62/70/564136270.db2.gz IBFXYDMWUGJWMN-UHFFFAOYSA-N 0 0 347.397 4.545 50 0 EJAARN C1CCC(c2nc3n(n2)C2(CCCCC2)[C@@H]2CCCC[C@@H]2N3)CC1 ZINC000013370090 564136363 /nfs/dbraw/zinc/13/63/63/564136363.db2.gz LXCZHDRDILZQKQ-SJORKVTESA-N 0 0 328.504 4.970 50 0 biogenic EJAARN O=C(CCC(=O)c1ccc2ccccc2c1)Nc1ccc(F)c(F)c1 ZINC000007953261 564136380 /nfs/dbraw/zinc/13/63/80/564136380.db2.gz OHZREQSRJTUZTH-UHFFFAOYSA-N 0 0 339.341 4.720 50 0 EJAARN O=C(NCCc1ccc(-c2ccoc2)s1)c1ccc(Cl)s1 ZINC000390828838 564138577 /nfs/dbraw/zinc/13/85/77/564138577.db2.gz BXJMEJBBENSBFY-UHFFFAOYSA-N 0 0 337.853 4.696 50 0 EJAARN CC(C)(C)[C@@H](NC(=O)N1CCc2sccc2C1)c1cccs1 ZINC000080042513 564139062 /nfs/dbraw/zinc/13/90/62/564139062.db2.gz BYLJKPOUZVNXQM-HNNXBMFYSA-N 0 0 334.510 4.665 50 0 EJAARN O=C1Nc2ccccc2N(O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000020355730 564139179 /nfs/dbraw/zinc/13/91/79/564139179.db2.gz LKDPNXGKEOBLJC-UHFFFAOYSA-N 0 0 343.692 4.522 50 0 EJAARN Cc1ccc(C)c([C@H](C)NC(=O)c2cccn2Cc2cccs2)c1 ZINC000095365119 564139328 /nfs/dbraw/zinc/13/93/28/564139328.db2.gz TZMGXFQMZPVZSO-INIZCTEOSA-N 0 0 338.476 4.706 50 0 EJAARN C[C@@H](N[C@H]1CCCOc2c3ccccc3ccc21)c1nc(C2CC2)no1 ZINC000095409404 564139640 /nfs/dbraw/zinc/13/96/40/564139640.db2.gz CXGLIZXCGFGMOC-ACJLOTCBSA-N 0 0 349.434 4.665 50 0 EJAARN FC(F)(F)c1cccc(OCc2c(Cl)ccc3cccnc32)n1 ZINC000095417229 564139727 /nfs/dbraw/zinc/13/97/27/564139727.db2.gz HQCVTAFXJGJSDJ-UHFFFAOYSA-N 0 0 338.716 4.881 50 0 EJAARN COc1cccc(-c2nc(COc3c(C)ccnc3Cl)cs2)c1 ZINC000095458223 564140687 /nfs/dbraw/zinc/14/06/87/564140687.db2.gz ODEPTDIJMYQKCR-UHFFFAOYSA-N 0 0 346.839 4.755 50 0 EJAARN COCCOc1ccc([C@H](C)Nc2ccc(C)c(C)c2)cc1OC ZINC000095462729 564140842 /nfs/dbraw/zinc/14/08/42/564140842.db2.gz MXHZVLDZZDACOY-INIZCTEOSA-N 0 0 329.440 4.510 50 0 EJAARN CCN1Cc2cccc(NC(=O)c3cc(Cl)sc3Cl)c2C1 ZINC000095464971 564140941 /nfs/dbraw/zinc/14/09/41/564140941.db2.gz HDARLOZOPFDIEM-UHFFFAOYSA-N 0 0 341.263 4.643 50 0 EJAARN CN(C(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1)c1nccs1 ZINC000095963920 564142864 /nfs/dbraw/zinc/14/28/64/564142864.db2.gz CDGNRHLCFPYTLD-UHFFFAOYSA-N 0 0 341.263 4.535 50 0 EJAARN CC(C)n1ncc2c1NC(=O)CS[C@H]2c1c(F)cccc1Cl ZINC000095475049 564141415 /nfs/dbraw/zinc/14/14/15/564141415.db2.gz MQVGXHDJZJSPOO-CQSZACIVSA-N 0 0 339.823 4.681 50 0 EJAARN Cc1cccc([C@H](CC(=O)N2CCCc3ccccc32)n2cccc2)c1 ZINC000020999008 564141894 /nfs/dbraw/zinc/14/18/94/564141894.db2.gz CLFWMOFNOYHUEX-QFIPXVFZSA-N 0 0 344.458 4.755 50 0 EJAARN CCn1c2ccccc2nc1[C@H](C)Nc1ccnc(-c2ccccc2)n1 ZINC000095947911 564142315 /nfs/dbraw/zinc/14/23/15/564142315.db2.gz ORIXRSUIKHYACK-HNNXBMFYSA-N 0 0 343.434 4.686 50 0 EJAARN CCOC(=O)[C@@H](NCC[C@@H](C)CC(C)(C)C)c1ccccc1Cl ZINC000096026426 564144931 /nfs/dbraw/zinc/14/49/31/564144931.db2.gz ALRYVEUWOHBWSB-PBHICJAKSA-N 0 0 339.907 4.996 50 0 EJAARN C[C@H](N(C)C(=O)/C=C\c1csc(-c2ccc(F)cc2)n1)C1(C)CC1 ZINC000096057849 564145150 /nfs/dbraw/zinc/14/51/50/564145150.db2.gz NLGKYOCJXLETAL-YXVBKTCISA-N 0 0 344.455 4.609 50 0 EJAARN O=C(N[C@@H]1CCCc2c3cc(F)ccc3[nH]c21)c1ccc2[nH]ccc2c1 ZINC000096116792 564145454 /nfs/dbraw/zinc/14/54/54/564145454.db2.gz BKZUFGTZYMXIMP-LJQANCHMSA-N 0 0 347.393 4.596 50 0 EJAARN Cc1nc(/C=C\C(=O)Nc2nc(-c3ccccc3C)cs2)cs1 ZINC000096130001 564145734 /nfs/dbraw/zinc/14/57/34/564145734.db2.gz XUKLHCHNYWFVOV-FPLPWBNLSA-N 0 0 341.461 4.535 50 0 EJAARN Cc1cc(C)c(/C=C/S(=O)(=O)Nc2ccc(Cl)cc2)c(C)c1 ZINC000096137044 564145800 /nfs/dbraw/zinc/14/58/00/564145800.db2.gz OGEQDNIABLNPOK-CMDGGOBGSA-N 0 0 335.856 4.678 50 0 EJAARN CC[C@H](C)[C@@H](NC(=O)CC(C)C)c1nc(-c2cccc(Cl)c2)no1 ZINC000096276049 564146258 /nfs/dbraw/zinc/14/62/58/564146258.db2.gz RQBBOYKPRJONET-BLLLJJGKSA-N 0 0 349.862 4.640 50 0 EJAARN CC[C@@H](C)[C@@H](NC(=O)CC(C)C)c1nc(-c2cccc(Cl)c2)no1 ZINC000096276048 564146259 /nfs/dbraw/zinc/14/62/59/564146259.db2.gz RQBBOYKPRJONET-MLGOLLRUSA-N 0 0 349.862 4.640 50 0 EJAARN Cc1cc2c(cc(C(=O)NCC3CC3)n2Cc2cccc(C)c2)s1 ZINC000096280352 564146362 /nfs/dbraw/zinc/14/63/62/564146362.db2.gz ZZAVNEPQDKSFGH-UHFFFAOYSA-N 0 0 338.476 4.508 50 0 EJAARN Cc1c(O)c(-c2cc3ccccc3[nH]2)cc2c3c(c(=O)oc12)CCCC3 ZINC000096343743 564146817 /nfs/dbraw/zinc/14/68/17/564146817.db2.gz VMSULVAIQUECDX-UHFFFAOYSA-N 0 0 345.398 4.834 50 0 EJAARN CCc1oc2ccccc2c1/C=C\C(=O)N1CCC[C@H]1c1ccncc1 ZINC000096401498 564147103 /nfs/dbraw/zinc/14/71/03/564147103.db2.gz CJCJSVASBNAVDA-VJIACCKLSA-N 0 0 346.430 4.767 50 0 EJAARN CO[C@H](C)c1cccc(NC(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000096410635 564147638 /nfs/dbraw/zinc/14/76/38/564147638.db2.gz RRAXNSOLLZQJHR-CQSZACIVSA-N 0 0 342.464 4.777 50 0 EJAARN C[C@H](Nc1nc(N2CCCCC2)nc2ccccc21)c1ccccc1 ZINC000096901207 564148997 /nfs/dbraw/zinc/14/89/97/564148997.db2.gz IVHLLLANKSUTQN-INIZCTEOSA-N 0 0 332.451 4.793 50 0 EJAARN CO[C@@H](C)c1cccc(NCc2nc(-c3cccc(Cl)c3)no2)c1 ZINC000225535948 564149660 /nfs/dbraw/zinc/14/96/60/564149660.db2.gz SCBKZVUCESXWNZ-LBPRGKRZSA-N 0 0 343.814 4.710 50 0 EJAARN COc1cccc(NC(=O)N2CCS[C@@H]2c2ccccc2Cl)c1 ZINC000028232340 564150758 /nfs/dbraw/zinc/15/07/58/564150758.db2.gz UDCZHJZKOPWMLH-MRXNPFEDSA-N 0 0 348.855 4.628 50 0 EJAARN CC(C)CC(=O)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000028232518 564150778 /nfs/dbraw/zinc/15/07/78/564150778.db2.gz UXELWMDMWJPDFU-UHFFFAOYSA-N 0 0 339.258 4.557 50 0 EJAARN CC[C@H](C)c1ccc(NC(=O)COC(=O)c2cc(C)cc(C)c2)cc1 ZINC000002617180 564151123 /nfs/dbraw/zinc/15/11/23/564151123.db2.gz OBXGJLGMGAKIRO-INIZCTEOSA-N 0 0 339.435 4.612 50 0 EJAARN C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)C1CC1 ZINC000002625078 564151318 /nfs/dbraw/zinc/15/13/18/564151318.db2.gz AOOVBRQJOILBFS-CYBMUJFWSA-N 0 0 333.884 4.771 50 0 EJAARN COc1ccc(-n2cnnc2SCc2cccc3ccccc32)cc1 ZINC000002627332 564151375 /nfs/dbraw/zinc/15/13/75/564151375.db2.gz PLHTUXIMGAJAKP-UHFFFAOYSA-N 0 0 347.443 4.721 50 0 EJAARN O=C(Cc1ccc(Cl)cc1)OCc1csc(-c2ccccc2)n1 ZINC000002631175 564151459 /nfs/dbraw/zinc/15/14/59/564151459.db2.gz DZAYRYUKBXOAPH-UHFFFAOYSA-N 0 0 343.835 4.749 50 0 EJAARN COc1ccc(-c2nnc(SC(F)F)n2-c2ccc(C)cc2)cc1 ZINC000002637170 564151594 /nfs/dbraw/zinc/15/15/94/564151594.db2.gz QMIVCCUMUTXQLE-UHFFFAOYSA-N 0 0 347.390 4.566 50 0 EJAARN O=C(Nc1ccn(Cc2cccc3ccccc32)n1)Nc1ccccc1 ZINC000028579516 564151677 /nfs/dbraw/zinc/15/16/77/564151677.db2.gz ICIXVFPKIZBEHC-UHFFFAOYSA-N 0 0 342.402 4.729 50 0 EJAARN Cc1ccc(S[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1C ZINC000002641302 564151706 /nfs/dbraw/zinc/15/17/06/564151706.db2.gz SVQZOIFGMATRHM-HZPDHXFCSA-N 0 0 325.477 4.762 50 0 EJAARN Cc1ccc(Cl)cc1NC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000002644528 564151754 /nfs/dbraw/zinc/15/17/54/564151754.db2.gz DAYGIABZVSNHML-UHFFFAOYSA-N 0 0 329.705 4.799 50 0 EJAARN CC(=O)c1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)cc1 ZINC000002648912 564151881 /nfs/dbraw/zinc/15/18/81/564151881.db2.gz LWTCOLCINWXBJE-UHFFFAOYSA-N 0 0 343.382 4.970 50 0 EJAARN O=C(Cc1csc(-c2ccccc2)n1)N[C@@H]1CCCc2ccccc21 ZINC000002655840 564151981 /nfs/dbraw/zinc/15/19/81/564151981.db2.gz SPBQIWSVBPAIMU-LJQANCHMSA-N 0 0 348.471 4.546 50 0 EJAARN Cc1ccc(SCC(=O)Nc2ncc(Cl)cc2Cl)c(C)c1 ZINC000002658073 564152005 /nfs/dbraw/zinc/15/20/05/564152005.db2.gz CPYBFSKNGHYGCM-UHFFFAOYSA-N 0 0 341.263 4.736 50 0 EJAARN CCn1nc(C)c(NC(=O)c2sc3ccccc3c2Cl)c1C ZINC000002767284 564152532 /nfs/dbraw/zinc/15/25/32/564152532.db2.gz GWMMVAOGNFCFQP-UHFFFAOYSA-N 0 0 333.844 4.640 50 0 EJAARN CCCCCC[C@@]1(CC)NC(=S)N(c2ccc(Cl)cc2)N1 ZINC000002776218 564152548 /nfs/dbraw/zinc/15/25/48/564152548.db2.gz ICNVXUYBYAAWAP-INIZCTEOSA-N 0 0 325.909 4.616 50 0 EJAARN Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2C)c1 ZINC000002771384 564152552 /nfs/dbraw/zinc/15/25/52/564152552.db2.gz BZCHGZDITBPKSM-UHFFFAOYSA-N 0 0 344.414 4.808 50 0 EJAARN Cc1ccc2nc(NC(=O)CCCOc3cccc(C)c3)sc2c1 ZINC000002886776 564152916 /nfs/dbraw/zinc/15/29/16/564152916.db2.gz VPPBAKAYHQUHPA-UHFFFAOYSA-N 0 0 340.448 4.711 50 0 EJAARN CC(C)c1ccc([C@@H]2C[C@@H](c3ccccc3F)n3ncnc3N2)cc1 ZINC000002919353 564153054 /nfs/dbraw/zinc/15/30/54/564153054.db2.gz DMBFUBXVFKVCHG-OALUTQOASA-N 0 0 336.414 4.687 50 0 EJAARN Cc1ccc(CC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)s1 ZINC000057045241 564153214 /nfs/dbraw/zinc/15/32/14/564153214.db2.gz YJDQXMYHBMXYCB-OAHLLOKOSA-N 0 0 342.489 4.572 50 0 EJAARN Cc1oc2c(ccc3c2CN(CC(C)C)CO3)c(=O)c1-c1ccccc1 ZINC000057165192 564153366 /nfs/dbraw/zinc/15/33/66/564153366.db2.gz CCSYFKBSABTUNK-UHFFFAOYSA-N 0 0 349.430 4.576 50 0 biogenic EJAARN COc1ccc(Cl)cc1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000029471231 564153484 /nfs/dbraw/zinc/15/34/84/564153484.db2.gz QDMDLFJTWJGVLL-UHFFFAOYSA-N 0 0 344.625 4.837 50 0 EJAARN CCN(CC)c1ccc(NC(=O)Nc2ccc(F)cc2F)c(C)c1 ZINC000057405859 564153954 /nfs/dbraw/zinc/15/39/54/564153954.db2.gz NHVUZEPWSKEZHF-UHFFFAOYSA-N 0 0 333.382 4.763 50 0 EJAARN Cc1ccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)c(C)c1 ZINC000057412204 564154094 /nfs/dbraw/zinc/15/40/94/564154094.db2.gz HZHKQCUXORGODN-UHFFFAOYSA-N 0 0 325.799 4.599 50 0 EJAARN Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3Cl)n[nH]2)cc1 ZINC000057477043 564154449 /nfs/dbraw/zinc/15/44/49/564154449.db2.gz WIUOHEKDLMZURT-UHFFFAOYSA-N 0 0 346.217 4.944 50 0 EJAARN CCc1ccccc1NC(=S)N(CCOC)[C@@H](C)c1cccs1 ZINC000003025956 564154483 /nfs/dbraw/zinc/15/44/83/564154483.db2.gz ZFBWIZUPYIOWEH-AWEZNQCLSA-N 0 0 348.537 4.717 50 0 EJAARN C[C@@H]1CCC[C@@H](NC(=O)CCSCc2ccccc2Cl)[C@H]1C ZINC000003031913 564154536 /nfs/dbraw/zinc/15/45/36/564154536.db2.gz IFZFMGNQCVHAHD-JKIFEVAISA-N 0 0 339.932 4.904 50 0 EJAARN C[C@@H](C(=O)c1c[nH]c2ccccc12)N(C)Cc1ccc(Cl)s1 ZINC000057676542 564155421 /nfs/dbraw/zinc/15/54/21/564155421.db2.gz HBAQECIFBSZKHB-NSHDSACASA-N 0 0 332.856 4.586 50 0 EJAARN O=C(Nc1ccncc1)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000057681266 564155479 /nfs/dbraw/zinc/15/54/79/564155479.db2.gz MQMFWYLTTWDARJ-RGMRCXJASA-N 0 0 332.447 4.558 50 0 EJAARN FC(F)(F)Cn1ccnc1CSC1=Nc2ccccc2CS1 ZINC000057746195 564155615 /nfs/dbraw/zinc/15/56/15/564155615.db2.gz LXEJYPBQRNVHPN-UHFFFAOYSA-N 0 0 343.399 4.613 50 0 EJAARN CCN(C(=O)COc1ccc(Cl)cc1Cl)c1cccc(C)c1 ZINC000003193302 564155822 /nfs/dbraw/zinc/15/58/22/564155822.db2.gz JJXYKKVNNLQBLB-UHFFFAOYSA-N 0 0 338.234 4.734 50 0 EJAARN O=C(OCc1ccc(Br)cc1)c1ccc(F)cc1Cl ZINC000003228024 564156277 /nfs/dbraw/zinc/15/62/77/564156277.db2.gz OSMGNZCANHIDGK-UHFFFAOYSA-N 0 0 343.579 4.599 50 0 EJAARN CC(C)CCOC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000003252442 564156630 /nfs/dbraw/zinc/15/66/30/564156630.db2.gz TVWQVRMVRMSKCE-UHFFFAOYSA-N 0 0 334.419 4.742 50 0 EJAARN CCc1c2cc(Br)ccc2oc(=O)c1-c1ccccc1 ZINC000003255810 564156650 /nfs/dbraw/zinc/15/66/50/564156650.db2.gz RBHFWDOUULYDPV-UHFFFAOYSA-N 0 0 329.193 4.785 50 0 EJAARN Cc1nn(-c2cccc(Cl)c2)c2nc3c(cc12)C(=O)CC(C)(C)C3 ZINC000003257836 564156685 /nfs/dbraw/zinc/15/66/85/564156685.db2.gz DAXNXLNFQQXQPW-UHFFFAOYSA-N 0 0 339.826 4.537 50 0 EJAARN CCn1ccc2cc(NC(=O)C3(c4ccc(F)cc4)CCC3)ccc21 ZINC000058015258 564157188 /nfs/dbraw/zinc/15/71/88/564157188.db2.gz XPDBJNXMWOGMIJ-UHFFFAOYSA-N 0 0 336.410 4.861 50 0 EJAARN COc1cccc(-c2nc(-c3[nH]c(C)c(C(C)=O)c3C)cs2)c1 ZINC000003325947 564157337 /nfs/dbraw/zinc/15/73/37/564157337.db2.gz IPUXDNDTMYTGPJ-UHFFFAOYSA-N 0 0 326.421 4.633 50 0 EJAARN COc1cc2ccccc2cc1C(=O)OCc1c(F)cccc1Cl ZINC000003344684 564157515 /nfs/dbraw/zinc/15/75/15/564157515.db2.gz MICRSWUTZCCYPE-UHFFFAOYSA-N 0 0 344.769 4.998 50 0 EJAARN O=C(NCc1ccccc1Cl)C1(c2cccc(F)c2)CCCC1 ZINC000003342319 564157532 /nfs/dbraw/zinc/15/75/32/564157532.db2.gz SNOJCONHKQURNG-UHFFFAOYSA-N 0 0 331.818 4.607 50 0 EJAARN Fc1ccc(-c2csc3ncnc(NCc4ccncc4)c23)cc1 ZINC000003349354 564157556 /nfs/dbraw/zinc/15/75/56/564157556.db2.gz IMYWHLCEDHEHAD-UHFFFAOYSA-N 0 0 336.395 4.505 50 0 EJAARN C[C@@H](Sc1ccccc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000003454718 564158229 /nfs/dbraw/zinc/15/82/29/564158229.db2.gz ILOUOVMNNZUWGW-QGZVFWFLSA-N 0 0 339.504 4.649 50 0 EJAARN C[C@@H](Oc1ccccc1-c1ccccc1)C(=O)N1CCc2ccccc21 ZINC000003477405 564158360 /nfs/dbraw/zinc/15/83/60/564158360.db2.gz HJYNHBVSFYFJES-QGZVFWFLSA-N 0 0 343.426 4.710 50 0 EJAARN O=C(OCc1ccccc1C(F)(F)F)c1ccc2ncsc2c1 ZINC000003479691 564158388 /nfs/dbraw/zinc/15/83/88/564158388.db2.gz URZCXTFCALKOJF-UHFFFAOYSA-N 0 0 337.322 4.672 50 0 EJAARN CCc1cccc(NC(=O)c2cc(Br)ccc2Cl)c1 ZINC000003486802 564158419 /nfs/dbraw/zinc/15/84/19/564158419.db2.gz KEPYDDLHESRTAU-UHFFFAOYSA-N 0 0 338.632 4.917 50 0 EJAARN COc1ccc2c(C)c(C(=O)c3ccc(OC(F)F)cc3)oc2c1 ZINC000003495897 564158491 /nfs/dbraw/zinc/15/84/91/564158491.db2.gz CNZASOACFQGMFH-UHFFFAOYSA-N 0 0 332.302 4.582 50 0 EJAARN Cc1cc2oc(=O)cc(COC(=O)c3cccs3)c2cc1C(C)C ZINC000003513173 564158620 /nfs/dbraw/zinc/15/86/20/564158620.db2.gz XFXVIEXNQRNAEO-UHFFFAOYSA-N 0 0 342.416 4.643 50 0 EJAARN Cc1cc2occ(CC(=O)N(Cc3ccccc3)C3CC3)c2cc1C ZINC000031087273 564158741 /nfs/dbraw/zinc/15/87/41/564158741.db2.gz VMTFPTIYYKFYFM-UHFFFAOYSA-N 0 0 333.431 4.783 50 0 EJAARN Cc1ccc2c(CC(=O)Nc3nc4ccc(F)cc4s3)coc2c1 ZINC000003528544 564158743 /nfs/dbraw/zinc/15/87/43/564158743.db2.gz XMXHLIVQFCXHPB-UHFFFAOYSA-N 0 0 340.379 4.671 50 0 EJAARN COc1ccc(Cl)cc1-c1nc(SCc2cccc(F)c2)n[nH]1 ZINC000003533790 564158826 /nfs/dbraw/zinc/15/88/26/564158826.db2.gz UVBQAEAOIWFZGH-UHFFFAOYSA-N 0 0 349.818 4.565 50 0 EJAARN Cc1ccc(-c2nc(C)c(C(=O)N[C@H](C)c3cccs3)s2)o1 ZINC000031203301 564159121 /nfs/dbraw/zinc/15/91/21/564159121.db2.gz HUXYMBHANLSBKS-SNVBAGLBSA-N 0 0 332.450 4.572 50 0 EJAARN O=C(CCc1cccc(Cl)c1Cl)NCC1(c2ccccc2)CC1 ZINC000031715093 564159741 /nfs/dbraw/zinc/15/97/41/564159741.db2.gz CFGPJKXXMVJCTL-UHFFFAOYSA-N 0 0 348.273 4.774 50 0 EJAARN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(C)c3ncccc23)c1C ZINC000031728173 564159760 /nfs/dbraw/zinc/15/97/60/564159760.db2.gz VZMKLBBUMDYGIV-INIZCTEOSA-N 0 0 334.419 4.566 50 0 EJAARN CC1=C(C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)Cc2ccccc21 ZINC000003962662 564159789 /nfs/dbraw/zinc/15/97/89/564159789.db2.gz IGTOUPDQRSBFTJ-UHFFFAOYSA-N 0 0 335.491 4.691 50 0 EJAARN CCCC[C@H](NC(=O)CCc1ccccc1Cl)c1cccnc1 ZINC000670454885 564159812 /nfs/dbraw/zinc/15/98/12/564159812.db2.gz VDAQMNTWPPNAPJ-SFHVURJKSA-N 0 0 330.859 4.715 50 0 EJAARN CCc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccco3)NC(=O)CCN21 ZINC000003999918 564159915 /nfs/dbraw/zinc/15/99/15/564159915.db2.gz RFPWXMVPWYZVBN-FKVRIVCVSA-N 0 0 336.435 4.710 50 0 biogenic EJAARN O=C(NCCC1CCCC1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000031935088 564160207 /nfs/dbraw/zinc/16/02/07/564160207.db2.gz FTLJLXVZZDXLGH-UHFFFAOYSA-N 0 0 345.446 4.607 50 0 EJAARN Cc1ccc(Nc2c3[nH]cccc-3c(=O)n2C2CCCCC2)cc1C ZINC000004057168 564160265 /nfs/dbraw/zinc/16/02/65/564160265.db2.gz KAXKGOOKBJMXNP-FQEVSTJZSA-N 0 0 335.451 4.598 50 0 EJAARN CC(=O)N(CC[C@](C)(c1ccccc1)C1CC1)[C@@H]1CCOC(C)(C)C1 ZINC000032070658 564160594 /nfs/dbraw/zinc/16/05/94/564160594.db2.gz DIYDHMDCFFPHKX-IFMALSPDSA-N 0 0 343.511 4.551 50 0 EJAARN O=C(c1cc2ccccc2o1)N(Cc1ccc2cc[nH]c2c1)C1CC1 ZINC000032088709 564160649 /nfs/dbraw/zinc/16/06/49/564160649.db2.gz XBCDLFSSBRIXDL-UHFFFAOYSA-N 0 0 330.387 4.719 50 0 EJAARN O=C(c1cccc2ccccc21)N1CCN=C1SCc1ccccc1 ZINC000004119825 564160690 /nfs/dbraw/zinc/16/06/90/564160690.db2.gz DRGZSZWJVZHPAT-UHFFFAOYSA-N 0 0 346.455 4.585 50 0 EJAARN Cc1cc(C)nc(N=NCc2c3ccccc3cc3ccccc32)n1 ZINC000004187953 564161111 /nfs/dbraw/zinc/16/11/11/564161111.db2.gz VBGYUPNVBCYBRJ-UHFFFAOYSA-N 0 0 326.403 4.846 50 0 EJAARN COCc1ccc(C(=O)N[C@H](c2cccs2)C2CCCC2)cc1 ZINC000032396801 564161303 /nfs/dbraw/zinc/16/13/03/564161303.db2.gz GZISKJYBUOVTJW-SFHVURJKSA-N 0 0 329.465 4.556 50 0 EJAARN C[C@H](NC(=O)c1cc(Cl)nc2ccccc21)c1ccccc1F ZINC000007989146 564161948 /nfs/dbraw/zinc/16/19/48/564161948.db2.gz LQJCXTYDLQHWLU-NSHDSACASA-N 0 0 328.774 4.518 50 0 EJAARN Cc1noc(C)c1CC(=O)Nc1ccc(Oc2cccc(C)c2)cc1 ZINC000008011418 564162145 /nfs/dbraw/zinc/16/21/45/564162145.db2.gz RKDKQHSDHJYZMI-UHFFFAOYSA-N 0 0 336.391 4.573 50 0 EJAARN O=C([O-])C1CCC([NH2+]Cc2ccccc2-c2ccc(Cl)cc2)CC1 ZINC000263447699 564162207 /nfs/dbraw/zinc/16/22/07/564162207.db2.gz YKBZHHQQOUQSTQ-UHFFFAOYSA-N 0 0 343.854 4.740 50 0 EJAARN CC[C@H](Oc1ccccc1F)C(=O)Nc1cc(Cl)ccc1Cl ZINC000008040956 564162353 /nfs/dbraw/zinc/16/23/53/564162353.db2.gz MDLABZDIUWAIEK-AWEZNQCLSA-N 0 0 342.197 4.929 50 0 EJAARN O=C(Cc1ccc(Cl)cc1Cl)NCCc1ccc(Cl)cc1 ZINC000008085030 564162615 /nfs/dbraw/zinc/16/26/15/564162615.db2.gz ODLPRDCJWVBLKR-UHFFFAOYSA-N 0 0 342.653 4.548 50 0 EJAARN O=C(CC1CCCC1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008104839 564162737 /nfs/dbraw/zinc/16/27/37/564162737.db2.gz KUOOJUFDPCZDRI-HNNXBMFYSA-N 0 0 328.481 4.583 50 0 EJAARN O=C(c1cccc(F)c1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000008115157 564162786 /nfs/dbraw/zinc/16/27/86/564162786.db2.gz HRBXMPDTGHHFOS-LJQANCHMSA-N 0 0 337.419 4.675 50 0 EJAARN COc1cccc(COc2ccc(NC(=O)c3ccccc3)cc2)c1 ZINC000008121200 564162823 /nfs/dbraw/zinc/16/28/23/564162823.db2.gz FJYANBKAEFWSAW-UHFFFAOYSA-N 0 0 333.387 4.527 50 0 EJAARN CCOc1ccccc1Oc1ncnc2sc3c(c21)CCCC3 ZINC000008119679 564162826 /nfs/dbraw/zinc/16/28/26/564162826.db2.gz TVTJYIFSFZKOAE-UHFFFAOYSA-N 0 0 326.421 4.761 50 0 EJAARN CC(=O)c1ccc(NC(=O)c2cc(C3CC3)nc3ccccc32)cc1 ZINC000008129702 564162946 /nfs/dbraw/zinc/16/29/46/564162946.db2.gz XBLWWMHSZJAISA-UHFFFAOYSA-N 0 0 330.387 4.567 50 0 EJAARN CCN(C(=O)COc1ccc(C)cc1OC)c1cccc2ccccc21 ZINC000008131944 564163053 /nfs/dbraw/zinc/16/30/53/564163053.db2.gz QLPSPHOGYQNWSJ-UHFFFAOYSA-N 0 0 349.430 4.589 50 0 EJAARN Clc1ccccc1CNc1nc(-c2cccnc2)nc2ccccc21 ZINC000008148326 564163195 /nfs/dbraw/zinc/16/31/95/564163195.db2.gz CRLLENVDZYIZQJ-UHFFFAOYSA-N 0 0 346.821 4.957 50 0 EJAARN O=C(CCSc1nc2ccccc2s1)NC1CCCCCC1 ZINC000008190493 564163455 /nfs/dbraw/zinc/16/34/55/564163455.db2.gz FKTKGEAVHJCIGB-UHFFFAOYSA-N 0 0 334.510 4.618 50 0 EJAARN CN(Cc1ccc(Cl)cc1)C(=O)c1cc2cc(F)ccc2s1 ZINC000008188766 564163458 /nfs/dbraw/zinc/16/34/58/564163458.db2.gz VMIMYBZIGHSPTD-UHFFFAOYSA-N 0 0 333.815 4.966 50 0 EJAARN c1ccc2c(c1)nc(-c1cccnc1)nc2N1CCC[C@@H]2CCCC[C@@H]21 ZINC000008190974 564163485 /nfs/dbraw/zinc/16/34/85/564163485.db2.gz FNNQLCWQVSOICN-JXFKEZNVSA-N 0 0 344.462 4.851 50 0 EJAARN C[C@@H](CCc1ccco1)Nc1nc(-c2cccnc2)nc2ccccc21 ZINC000008205329 564163538 /nfs/dbraw/zinc/16/35/38/564163538.db2.gz UOSZIFSKTTVZKS-HNNXBMFYSA-N 0 0 344.418 4.718 50 0 EJAARN Cc1cc2oc(=O)cc(CNc3ccccc3F)c2cc1C(C)C ZINC000008212003 564163604 /nfs/dbraw/zinc/16/36/04/564163604.db2.gz SVFLBAKJJWKFTE-UHFFFAOYSA-N 0 0 325.383 4.976 50 0 EJAARN Cc1cc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c(C)o1 ZINC000008216638 564163613 /nfs/dbraw/zinc/16/36/13/564163613.db2.gz CUUNRJXZJXVSHR-UHFFFAOYSA-N 0 0 337.404 4.525 50 0 EJAARN Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1cccc(C)c1C ZINC000008270394 564163909 /nfs/dbraw/zinc/16/39/09/564163909.db2.gz PNLGCSPCGFPOQL-UHFFFAOYSA-N 0 0 347.462 4.677 50 0 EJAARN Cc1ccc(Cl)cc1NC(=O)CCc1nc2ccccc2s1 ZINC000008275662 564163944 /nfs/dbraw/zinc/16/39/44/564163944.db2.gz CUCFQAUELBRJCP-UHFFFAOYSA-N 0 0 330.840 4.829 50 0 EJAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(Cl)cc1 ZINC000008279109 564163989 /nfs/dbraw/zinc/16/39/89/564163989.db2.gz UNDIZCOHEJJLKZ-NSHDSACASA-N 0 0 330.840 4.783 50 0 EJAARN O=C(Cc1csc(-c2cccs2)n1)Nc1ccc2c(c1)CCC2 ZINC000008315639 564164250 /nfs/dbraw/zinc/16/42/50/564164250.db2.gz UKQGMZRRLBLGNS-UHFFFAOYSA-N 0 0 340.473 4.542 50 0 EJAARN CC(=O)NCc1ccc(-c2csc(-c3cccc(Cl)c3)n2)cc1 ZINC000008343368 564164625 /nfs/dbraw/zinc/16/46/25/564164625.db2.gz LCGRYINEJRLTRM-UHFFFAOYSA-N 0 0 342.851 4.767 50 0 EJAARN Cc1ccc([C@H](NC(=O)c2ccc(Cl)nc2)c2ccccc2)cc1 ZINC000008342746 564164640 /nfs/dbraw/zinc/16/46/40/564164640.db2.gz CTDQXYOSEATUGA-LJQANCHMSA-N 0 0 336.822 4.563 50 0 EJAARN C[C@@H](NC(=O)c1ccc(C2SCCCS2)cc1)c1ccco1 ZINC000008360377 564164718 /nfs/dbraw/zinc/16/47/18/564164718.db2.gz PAZBBPCSLHQEGO-GFCCVEGCSA-N 0 0 333.478 4.639 50 0 EJAARN O=C1[C@@H](Sc2ccccc2)[C@@H](c2ccccc2)N1Cc1ccccc1 ZINC000008381195 564164804 /nfs/dbraw/zinc/16/48/04/564164804.db2.gz OZUQIUMUEYDFKV-RTWAWAEBSA-N 0 0 345.467 4.931 50 0 EJAARN O=C(CCSc1ccc(F)cc1)N[C@@H]1CCSc2ccccc21 ZINC000008394660 564165073 /nfs/dbraw/zinc/16/50/73/564165073.db2.gz ZFDXTCNWSBZTSB-MRXNPFEDSA-N 0 0 347.480 4.661 50 0 EJAARN O=C(Nc1nccs1)c1cccnc1Sc1ccc(Cl)cc1 ZINC000008512894 564165543 /nfs/dbraw/zinc/16/55/43/564165543.db2.gz YUSBKSLFUODSMH-UHFFFAOYSA-N 0 0 347.852 4.595 50 0 EJAARN COc1ccccc1NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC000008562823 564165754 /nfs/dbraw/zinc/16/57/54/564165754.db2.gz CQCXTBWZLFPUFH-MRXNPFEDSA-N 0 0 347.414 4.768 50 0 EJAARN CCOC(=O)c1ccc(Oc2nc(C)nc3c4ccccc4oc32)cc1 ZINC000008607968 564166018 /nfs/dbraw/zinc/16/60/18/564166018.db2.gz UDZKIKJDSBBEHE-UHFFFAOYSA-N 0 0 348.358 4.653 50 0 EJAARN Cc1cccc(-c2nc3nc(C)cc(N[C@H](C)c4ccccc4)n3n2)c1 ZINC000008609640 564166052 /nfs/dbraw/zinc/16/60/52/564166052.db2.gz SSFDDVJJYPFYED-MRXNPFEDSA-N 0 0 343.434 4.581 50 0 EJAARN c1ccc(-c2nnn3c2nc(NC2CCCCC2)c2ccccc23)cc1 ZINC000038986068 564166242 /nfs/dbraw/zinc/16/62/42/564166242.db2.gz KFCOOSXWRYQWOT-UHFFFAOYSA-N 0 0 343.434 4.689 50 0 EJAARN Cc1sc2nc(CN3CCCC3)nc(Oc3ccccc3)c2c1C ZINC000008705235 564166452 /nfs/dbraw/zinc/16/64/52/564166452.db2.gz ZAWZKQKTOYBYEW-UHFFFAOYSA-N 0 0 339.464 4.696 50 0 EJAARN CCc1nc2ccccc2n1CC(=O)Nc1ccccc1[C@H](C)CC ZINC000008719768 564166923 /nfs/dbraw/zinc/16/69/23/564166923.db2.gz TYXJWQRBHLKTOG-OAHLLOKOSA-N 0 0 335.451 4.751 50 0 EJAARN COc1ccc(C)cc1N[C@@H](C)C(=O)Nc1cccc2ccccc21 ZINC000008728994 564167083 /nfs/dbraw/zinc/16/70/83/564167083.db2.gz PTFPNVAXWAKIBM-HNNXBMFYSA-N 0 0 334.419 4.596 50 0 EJAARN Cc1cccc(C(C)C)c1NC(=O)c1ccc(NC(=O)C2CC2)s1 ZINC000008768021 564167358 /nfs/dbraw/zinc/16/73/58/564167358.db2.gz RTIFDCMIEUZPFQ-UHFFFAOYSA-N 0 0 342.464 4.781 50 0 EJAARN c1csc(-c2nc(SCc3coc(-c4cccs4)n3)n[nH]2)c1 ZINC000008850007 564167499 /nfs/dbraw/zinc/16/74/99/564167499.db2.gz MDUWBPJXAQDBAO-UHFFFAOYSA-N 0 0 346.462 4.542 50 0 EJAARN C[C@H](c1ccc(F)cc1)N(C)C(=O)CCc1nc2ccccc2s1 ZINC000008938107 564168043 /nfs/dbraw/zinc/16/80/43/564168043.db2.gz NEJVFMXVOKKEPL-CYBMUJFWSA-N 0 0 342.439 4.588 50 0 EJAARN C[C@H](Cc1cc2ccccc2o1)NC(=O)CCc1cccc(Cl)c1 ZINC000245015245 564168580 /nfs/dbraw/zinc/16/85/80/564168580.db2.gz LSWCOBRJCDIWAM-CQSZACIVSA-N 0 0 341.838 4.766 50 0 EJAARN CC(=O)O[C@@]1(C)CC[C@@H]2[C@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000245238148 564168807 /nfs/dbraw/zinc/16/88/07/564168807.db2.gz YKEIELWRIARSQU-OCRAJSRMSA-N 0 0 346.511 4.920 50 0 biogenic EJAARN CC[C@@H](C)Sc1ccc(NC(=O)NCc2cc(C)on2)c(C)c1 ZINC000069527724 564170197 /nfs/dbraw/zinc/17/01/97/564170197.db2.gz ZYJMEIUWKZINGO-CYBMUJFWSA-N 0 0 333.457 4.504 50 0 EJAARN C[C@H](c1nnc(-c2ccccc2)o1)N(Cc1ccsc1)C1CC1 ZINC000069531274 564170237 /nfs/dbraw/zinc/17/02/37/564170237.db2.gz JHTYBCHSLLXJIS-CYBMUJFWSA-N 0 0 325.437 4.524 50 0 EJAARN Cc1nnc(Sc2ccc(NC(=O)c3ccccc3)c(C)c2)s1 ZINC000069654016 564171154 /nfs/dbraw/zinc/17/11/54/564171154.db2.gz LQBSQTAAVGXOOM-UHFFFAOYSA-N 0 0 341.461 4.558 50 0 EJAARN COCc1c2ccccc2oc1C(=O)N[C@@H](c1cccs1)C1CC1 ZINC000009364693 564172953 /nfs/dbraw/zinc/17/29/53/564172953.db2.gz JZVMUCWSJYCIMQ-QGZVFWFLSA-N 0 0 341.432 4.522 50 0 EJAARN COc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2C[C@@H]2c2ccco2)cc1 ZINC000070004175 564173236 /nfs/dbraw/zinc/17/32/36/564173236.db2.gz VRTWGQRWALVIPP-FHWLQOOXSA-N 0 0 339.435 4.536 50 0 EJAARN CC(C)c1ccccc1NC(=O)N(Cc1cc[nH]n1)Cc1ccccc1 ZINC000070036616 564173424 /nfs/dbraw/zinc/17/34/24/564173424.db2.gz KEDXWJLRCPXXSC-UHFFFAOYSA-N 0 0 348.450 4.767 50 0 EJAARN C[C@H](NC(=O)/C=C/c1cccc(-c2ccccc2)c1)c1ccccn1 ZINC000070036533 564173428 /nfs/dbraw/zinc/17/34/28/564173428.db2.gz PPTLTJZCHTYPIP-CLVCIHKQSA-N 0 0 328.415 4.639 50 0 EJAARN Cc1nc(-c2ccccc2)ccc1C(=O)N(C)[C@H]1CCc2ccccc21 ZINC000070039074 564173473 /nfs/dbraw/zinc/17/34/73/564173473.db2.gz VZXLQQHHZSCRBF-QFIPXVFZSA-N 0 0 342.442 4.817 50 0 EJAARN Cc1ccc(NC(=O)COc2ccc(C(C)C)cc2)c2cccnc12 ZINC000041156797 564173633 /nfs/dbraw/zinc/17/36/33/564173633.db2.gz BMVFMODMHWIDPN-UHFFFAOYSA-N 0 0 334.419 4.684 50 0 EJAARN CCC1CCC2(CC1)Nc1ccccc1C(=O)N2c1ccc(O)cc1 ZINC000009422332 564173638 /nfs/dbraw/zinc/17/36/38/564173638.db2.gz JPZQVXRVXMVXAT-UHFFFAOYSA-N 0 0 336.435 4.761 50 0 EJAARN C[C@@H](NCc1nnc(-c2ccc(C(C)(C)C)cc2)o1)c1ccccc1 ZINC000009504132 564173913 /nfs/dbraw/zinc/17/39/13/564173913.db2.gz CQVGYCYGJNVMBF-OAHLLOKOSA-N 0 0 335.451 4.885 50 0 EJAARN Cc1ccc2c(c1)-c1c(c(C(=O)Nc3ccccc3C)nn1C)CS2 ZINC000009527804 564174024 /nfs/dbraw/zinc/17/40/24/564174024.db2.gz PIZXVJMLUGJOCE-UHFFFAOYSA-N 0 0 349.459 4.562 50 0 EJAARN Cc1ccc(NC(=O)N2CCn3cccc3[C@H]2C(C)C)c(Cl)c1 ZINC000009528267 564174030 /nfs/dbraw/zinc/17/40/30/564174030.db2.gz RLHPNWWNXNOANL-QGZVFWFLSA-N 0 0 331.847 4.695 50 0 EJAARN CCC[C@H]1c2cccn2CCN1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000009528137 564174033 /nfs/dbraw/zinc/17/40/33/564174033.db2.gz JLFLWKBLAQRMRU-KRWDZBQOSA-N 0 0 331.847 4.839 50 0 EJAARN COc1cccc(-c2ocnc2C(=O)Nc2cc(Cl)ccc2C)c1 ZINC000009527305 564174051 /nfs/dbraw/zinc/17/40/51/564174051.db2.gz OEDHGKNFXDHZPK-UHFFFAOYSA-N 0 0 342.782 4.564 50 0 EJAARN CC(=O)Nc1cccc(NC(=O)c2oc3ccc(Cl)cc3c2C)c1 ZINC000009550079 564174132 /nfs/dbraw/zinc/17/41/32/564174132.db2.gz YAPUZYWWZWKPBY-UHFFFAOYSA-N 0 0 342.782 4.605 50 0 EJAARN CCc1cccc(C)c1NC(=O)NCCSCc1ccccc1F ZINC000009578824 564174202 /nfs/dbraw/zinc/17/42/02/564174202.db2.gz RPWDQUPTSHNNPM-UHFFFAOYSA-N 0 0 346.471 4.751 50 0 EJAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccco2)cc1 ZINC000010215065 564175126 /nfs/dbraw/zinc/17/51/26/564175126.db2.gz DJGIUXRWXUKZFI-GHTZIAJQSA-N 0 0 330.387 4.830 50 0 EJAARN COc1ccc2ccccc2c1CNC(=O)c1sccc1C1CC1 ZINC000071835258 564175791 /nfs/dbraw/zinc/17/57/91/564175791.db2.gz OBGBGOTWGXXIRS-UHFFFAOYSA-N 0 0 337.444 4.717 50 0 EJAARN CCOc1ccc([C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1OCC ZINC000078574094 564176979 /nfs/dbraw/zinc/17/69/79/564176979.db2.gz KUSCPENAOHDQMT-KRWDZBQOSA-N 0 0 337.460 4.706 50 0 EJAARN Cc1oc(-c2ccsc2)nc1Cn1ccc(-c2ccc(F)cc2)n1 ZINC000078467644 564176982 /nfs/dbraw/zinc/17/69/82/564176982.db2.gz PFXFBHBBZNDKTO-UHFFFAOYSA-N 0 0 339.395 4.762 50 0 EJAARN CCc1cccc(NC(=O)c2sc(-c3cccn3CC)nc2C)c1 ZINC000033293240 564177486 /nfs/dbraw/zinc/17/74/86/564177486.db2.gz MGWOYHKPYAOHFI-UHFFFAOYSA-N 0 0 339.464 4.755 50 0 EJAARN Fc1ccc(-c2csc3ncnc(N4CCCCCC4)c23)cc1 ZINC000005769268 568418080 /nfs/dbraw/zinc/41/80/80/568418080.db2.gz BEAQJJHRJFQTMQ-UHFFFAOYSA-N 0 0 327.428 4.878 50 0 EJAARN O=C(Oc1ccc2cc(Br)ccc2c1)c1cccc(F)c1 ZINC000006566601 568420897 /nfs/dbraw/zinc/42/08/97/568420897.db2.gz GVKAISCYRDQJEH-UHFFFAOYSA-N 0 0 345.167 4.961 50 0 EJAARN CCN(CC)c1ccc(NC(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000017072320 568423342 /nfs/dbraw/zinc/42/33/42/568423342.db2.gz WCHLRINTJJBCLB-UHFFFAOYSA-N 0 0 347.846 4.839 50 0 EJAARN CC(=O)Nc1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000004740412 210266337 /nfs/dbraw/zinc/26/63/37/210266337.db2.gz NKPVYTMDUPQQEQ-UHFFFAOYSA-N 0 0 330.387 4.564 50 0 EJAARN CC(=O)c1sc(N2N=C3CCCC[C@@H]3[C@@H]2c2ccccc2)nc1C ZINC000051330447 214089015 /nfs/dbraw/zinc/08/90/15/214089015.db2.gz DXUVNKYHCBBCPO-RDJZCZTQSA-N 0 0 339.464 4.762 50 0 EJAARN COc1ccc([C@H]2C[C@]23CC[C@]2(C[C@H]2c2ccc(OC)cc2)C3=O)cc1 ZINC000051330247 214089324 /nfs/dbraw/zinc/08/93/24/214089324.db2.gz SCWGCMYYEYQDTI-IRMYBRCSSA-N 0 0 348.442 4.714 50 0 EJAARN Cc1c(F)cccc1NC(=O)Nc1ccc(F)cc1Br ZINC000051354543 214090315 /nfs/dbraw/zinc/09/03/15/214090315.db2.gz OTBINJBFTGDTFG-UHFFFAOYSA-N 0 0 341.155 4.680 50 0 EJAARN Cc1ccc(Cl)cc1NC(=O)[C@@H](Cc1ccccc1)n1cccc1 ZINC000006805529 201699038 /nfs/dbraw/zinc/69/90/38/201699038.db2.gz XWYTXUHVHUQNGX-LJQANCHMSA-N 0 0 338.838 4.872 50 0 EJAARN Cc1cc(C)c2oc(C(=O)Nc3ccc(C)c(Cl)c3)cc(=O)c2c1 ZINC000006811325 201700137 /nfs/dbraw/zinc/70/01/37/201700137.db2.gz HDYWYODJCMVLOV-UHFFFAOYSA-N 0 0 341.794 4.624 50 0 EJAARN Cc1ccc(NC[C@@H](O)Cn2c3ccccc3c3ccccc32)c(C)c1 ZINC000004718308 210258485 /nfs/dbraw/zinc/25/84/85/210258485.db2.gz NTVRSVHJTBPKOG-GOSISDBHSA-N 0 0 344.458 4.884 50 0 EJAARN CCCOc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1OCC ZINC000004715716 210258348 /nfs/dbraw/zinc/25/83/48/210258348.db2.gz PPDHPOVQZLGOJN-UHFFFAOYSA-N 0 0 343.423 4.525 50 0 EJAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2OC3(C)C)cc1 ZINC000004715962 210257774 /nfs/dbraw/zinc/25/77/74/210257774.db2.gz AVNPJAYPXXRCFB-QGZVFWFLSA-N 0 0 342.826 4.628 50 0 EJAARN O=C(CC1c2ccccc2Oc2ccccc21)NCCc1cccs1 ZINC000004717181 210257152 /nfs/dbraw/zinc/25/71/52/210257152.db2.gz RLAVHCVBPTVKER-UHFFFAOYSA-N 0 0 349.455 4.735 50 0 EJAARN CC(C)c1nnc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)s1 ZINC000004704373 210253391 /nfs/dbraw/zinc/25/33/91/210253391.db2.gz GNMPUIXHESDGKT-GHRIWEEISA-N 0 0 349.459 4.841 50 0 EJAARN CC(C)(C)C[C@H](Nc1nccc(-c2cccnc2)n1)c1cccnc1 ZINC000097729568 219051724 /nfs/dbraw/zinc/05/17/24/219051724.db2.gz RYZBWJXWRRCNAQ-SFHVURJKSA-N 0 0 333.439 4.523 50 0 EJAARN C[C@H](NC(=O)c1c[nH]cc1-c1ccc(Cl)s1)c1ccccc1 ZINC000054675204 214249937 /nfs/dbraw/zinc/24/99/37/214249937.db2.gz QDQWTOKBNDIMOD-NSHDSACASA-N 0 0 330.840 4.888 50 0 EJAARN C[C@@H](c1ccccn1)N(C)C(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000055071260 214269823 /nfs/dbraw/zinc/26/98/23/214269823.db2.gz VNKWTQGGYKYBAL-XBQWNJISSA-N 0 0 326.484 4.598 50 0 EJAARN CC[C@@H](C)N(Cc1ccsc1)Cc1c(Cl)nc2sccn12 ZINC000055308115 214304207 /nfs/dbraw/zinc/30/42/07/214304207.db2.gz TXWCROCSESTBCB-LLVKDONJSA-N 0 0 339.917 4.911 50 0 EJAARN Cc1cccc(-c2ncc(CN[C@H](C)c3ccccc3Cl)cn2)c1 ZINC000055371215 214313886 /nfs/dbraw/zinc/31/38/86/214313886.db2.gz MQGARODGEBRFJU-OAHLLOKOSA-N 0 0 337.854 4.956 50 0 EJAARN Cc1ccccc1NC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000004682352 210245700 /nfs/dbraw/zinc/24/57/00/210245700.db2.gz CKGWPTSRLZQRPG-UHFFFAOYSA-N 0 0 346.455 4.789 50 0 EJAARN Cc1oc2c(c1C(=O)Nc1ccc(C)cc1)c(F)c(F)c(F)c2F ZINC000006937915 201707241 /nfs/dbraw/zinc/70/72/41/201707241.db2.gz DWEUIHZOYZGRHS-UHFFFAOYSA-N 0 0 337.272 4.858 50 0 EJAARN O=C(Nc1cc(Cl)ccc1Cl)N1CCC[C@H]1c1ccccn1 ZINC000056520386 214378044 /nfs/dbraw/zinc/37/80/44/214378044.db2.gz NUCVZKABGPBEMR-HNNXBMFYSA-N 0 0 336.222 4.757 50 0 EJAARN Cc1ccc(NC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cc1F ZINC000006940848 201708097 /nfs/dbraw/zinc/70/80/97/201708097.db2.gz UQWVJCWWQWBJQV-UHFFFAOYSA-N 0 0 349.409 4.937 50 0 EJAARN O=C1[C@H](Sc2ccccc2)[C@@H](c2ccccc2)N1Cc1ccccc1 ZINC000004669035 210242056 /nfs/dbraw/zinc/24/20/56/210242056.db2.gz OZUQIUMUEYDFKV-NHCUHLMSSA-N 0 0 345.467 4.931 50 0 EJAARN CCc1cc2c(ncnc2N[C@H](c2ccccc2)[C@@H]2CCCO2)s1 ZINC000058217486 214507924 /nfs/dbraw/zinc/50/79/24/214507924.db2.gz NVDDZKKWHPNRQN-DLBZAZTESA-N 0 0 339.464 4.586 50 0 EJAARN O=C1CCCc2ccc(NCc3ncc(-c4cccc(F)c4)o3)cc21 ZINC000175150925 231393957 /nfs/dbraw/zinc/39/39/57/231393957.db2.gz LLGRFLITVOFCTG-UHFFFAOYSA-N 0 0 336.366 4.612 50 0 EJAARN O=C(Nc1ccccc1)c1ccc(-c2ccc(Br)cc2)o1 ZINC000004656196 210238423 /nfs/dbraw/zinc/23/84/23/210238423.db2.gz ACFDHRGCMPAHBH-UHFFFAOYSA-N 0 0 342.192 4.961 50 0 EJAARN Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)/C=C\c1ccco1 ZINC000098009163 219068357 /nfs/dbraw/zinc/06/83/57/219068357.db2.gz SYCJTBQVOCEHOH-OEYXZAGESA-N 0 0 338.432 4.602 50 0 EJAARN CCCOC(=O)c1c2c(sc1NC(=O)C(C)(C)C)CCCCC2 ZINC000004628859 210235790 /nfs/dbraw/zinc/23/57/90/210235790.db2.gz LBWPSANUFVGMEV-UHFFFAOYSA-N 0 0 337.485 4.568 50 0 EJAARN O=C(Nc1cnccc1Oc1ccccc1)c1ccc2ccccc2n1 ZINC000058377938 214566215 /nfs/dbraw/zinc/56/62/15/214566215.db2.gz VQRCJQVJYCJMQW-UHFFFAOYSA-N 0 0 341.370 4.674 50 0 EJAARN Clc1ccc(Nc2c(-c3ccsc3)nc3cnccn32)cc1 ZINC000004632350 210235050 /nfs/dbraw/zinc/23/50/50/210235050.db2.gz QLDHGFQERINRPN-UHFFFAOYSA-N 0 0 326.812 4.855 50 0 EJAARN CC[C@H](NC(=O)[C@H](C)c1c(C)noc1C)C12CC3CC(CC(C3)C1)C2 ZINC000058419530 214582092 /nfs/dbraw/zinc/58/20/92/214582092.db2.gz SOMGHNAOCKBOGS-YIGIYOGVSA-N 0 0 344.499 4.506 50 0 EJAARN Cc1cccc(NC(=S)NC(=O)Cc2cccc3ccccc32)c1C ZINC000004621473 210233387 /nfs/dbraw/zinc/23/33/87/210233387.db2.gz UGBGDBTZDFINEK-UHFFFAOYSA-N 0 0 348.471 4.512 50 0 EJAARN CCCCOc1cccc(-c2cc(C(=O)OC)c3ccccc3n2)c1 ZINC000004614812 210232450 /nfs/dbraw/zinc/23/24/50/210232450.db2.gz PJLUUOJUDXKENF-UHFFFAOYSA-N 0 0 335.403 4.867 50 0 EJAARN COCc1ccccc1C(=O)NCc1ccccc1Oc1ccccc1 ZINC000060182939 214630560 /nfs/dbraw/zinc/63/05/60/214630560.db2.gz AJKIJGNGHYMRAF-UHFFFAOYSA-N 0 0 347.414 4.555 50 0 EJAARN Cc1ccc(-c2nc(C(N)=O)c(Sc3ccc(Cl)cc3)o2)cc1 ZINC000098086547 219080980 /nfs/dbraw/zinc/08/09/80/219080980.db2.gz NWKRPIJBPZUJJF-UHFFFAOYSA-N 0 0 344.823 4.554 50 0 EJAARN CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(O)cc1 ZINC000004567483 210222824 /nfs/dbraw/zinc/22/28/24/210222824.db2.gz AXLXCETVFZNQRI-ZPHPHTNESA-N 0 0 330.840 4.828 50 0 EJAARN CCCNc1nnc(SCc2cccc(C(F)(F)F)c2)s1 ZINC000061153426 214656782 /nfs/dbraw/zinc/65/67/82/214656782.db2.gz BMLGGHBSBRSSKJ-UHFFFAOYSA-N 0 0 333.404 4.671 50 0 EJAARN Cc1ccc(NC(=O)COc2c(Cl)cccc2Cl)cc1Cl ZINC000004542108 210218331 /nfs/dbraw/zinc/21/83/31/210218331.db2.gz KTZJJENCPGPUNK-UHFFFAOYSA-N 0 0 344.625 4.973 50 0 EJAARN COc1cccc(CCC(=O)Nc2ccc(C)cc2Cl)c1Cl ZINC000004542838 210218296 /nfs/dbraw/zinc/21/82/96/210218296.db2.gz JEOJDSJKNJSAKI-UHFFFAOYSA-N 0 0 338.234 4.882 50 0 EJAARN O=C(COc1c(Cl)cccc1Cl)Nc1cccc(Cl)c1 ZINC000004542114 210217753 /nfs/dbraw/zinc/21/77/53/210217753.db2.gz UGCNYJCGLDTXFC-UHFFFAOYSA-N 0 0 330.598 4.664 50 0 EJAARN CCOC(=O)c1cc(C(=O)c2ccccc2)n2ccc(C(C)(C)C)cc12 ZINC000004542457 210217556 /nfs/dbraw/zinc/21/75/56/210217556.db2.gz OFPAOFCGGZUXIQ-UHFFFAOYSA-N 0 0 349.430 4.645 50 0 EJAARN Cc1ccc(Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000098211293 219087508 /nfs/dbraw/zinc/08/75/08/219087508.db2.gz QJIQGVCGQBXFRB-UHFFFAOYSA-N 0 0 333.366 4.701 50 0 EJAARN Cc1ccc(NC(=O)/C=C/c2ccc(Br)cc2)c(C)c1 ZINC000004541792 210216311 /nfs/dbraw/zinc/21/63/11/210216311.db2.gz OWSHMLBGOIPDPG-UXBLZVDNSA-N 0 0 330.225 4.718 50 0 EJAARN CCc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=Nc3ncnn32)cc1 ZINC000100072417 219090741 /nfs/dbraw/zinc/09/07/41/219090741.db2.gz PQCBUMUOEOTEOB-SFHVURJKSA-N 0 0 336.826 4.550 50 0 EJAARN Cc1ccc(NC=Cc2nc(SCc3ccccc3)nnc2C)cc1 ZINC000100142802 219092298 /nfs/dbraw/zinc/09/22/98/219092298.db2.gz ULWOIBSTYCJJCO-OUKQBFOZSA-N 0 0 348.475 4.864 50 0 EJAARN CCc1cccc2sc(NC(=O)c3ccccc3SC)nc21 ZINC000004517464 210210815 /nfs/dbraw/zinc/21/08/15/210210815.db2.gz LYDOPTXQGJIZEX-UHFFFAOYSA-N 0 0 328.462 4.833 50 0 EJAARN FC(F)(F)c1cc(/N=c2\ssnc2Cl)ccc1Cl ZINC000100323233 219096850 /nfs/dbraw/zinc/09/68/50/219096850.db2.gz PLNSPIYZVNCDFH-NVNXTCNLSA-N 0 0 331.171 4.763 50 0 EJAARN Cc1nc2ccc(NC(=O)CCSc3ccc(F)cc3)cc2s1 ZINC000004496803 210203695 /nfs/dbraw/zinc/20/36/95/210203695.db2.gz KNGHDFBFAVXGSV-UHFFFAOYSA-N 0 0 346.452 4.865 50 0 EJAARN Cc1ccc(SCC(=O)Nc2nc3c(cccc3Cl)s2)cc1 ZINC000004496437 210203390 /nfs/dbraw/zinc/20/33/90/210203390.db2.gz XBMFUGFSTWEFNA-UHFFFAOYSA-N 0 0 348.880 4.989 50 0 EJAARN Clc1ccc(CSc2nnc(-c3ccccn3)o2)c(Cl)c1 ZINC000004488125 210201434 /nfs/dbraw/zinc/20/14/34/210201434.db2.gz OZOJLMHQLJBOJJ-UHFFFAOYSA-N 0 0 338.219 4.731 50 0 EJAARN CC(C)c1nc2ccc(NC(=O)c3ccc4c(c3)COC4)cc2s1 ZINC000064396246 214783850 /nfs/dbraw/zinc/78/38/50/214783850.db2.gz VSTCLDZBXOVRFT-UHFFFAOYSA-N 0 0 338.432 4.702 50 0 EJAARN CC(C)(C)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000004434292 210192687 /nfs/dbraw/zinc/19/26/87/210192687.db2.gz SJEHYMPGUHOCCG-UHFFFAOYSA-N 0 0 345.251 4.751 50 0 EJAARN Cc1cccc(Oc2ccc(N3C(=O)[C@H]4CC[C@@H](C)C[C@@H]4C3=O)cc2)c1 ZINC000100744491 219106040 /nfs/dbraw/zinc/10/60/40/219106040.db2.gz RPFXZAVVAHHALA-XPGWFJOJSA-N 0 0 349.430 4.713 50 0 EJAARN Cc1cccc([C@@H]2CCCN2C(=O)c2cc(-c3ccccc3)on2)c1 ZINC000064526093 214791077 /nfs/dbraw/zinc/79/10/77/214791077.db2.gz SWNFIBGAJZDXGW-IBGZPJMESA-N 0 0 332.403 4.627 50 0 EJAARN O=C1OC(c2cc(Cl)ccc2Cl)=N/C1=C\C=C\c1ccccc1 ZINC000004423564 210190794 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338.432 4.504 50 0 EJAARN COc1ccccc1CNC(=O)CC(c1ccccc1)c1ccccc1 ZINC000003615021 210065799 /nfs/dbraw/zinc/06/57/99/210065799.db2.gz VQTHFLJKTRZQGO-UHFFFAOYSA-N 0 0 345.442 4.534 50 0 biogenic EJAARN CC(C)(C)c1ccc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc1 ZINC000003584378 210058351 /nfs/dbraw/zinc/05/83/51/210058351.db2.gz LFUVROGEKZWXTP-ATVHPVEESA-N 0 0 339.822 4.982 50 0 EJAARN O=C(COC(=O)c1cccc(Cl)c1Cl)c1c[nH]c2ccccc21 ZINC000003571380 210058043 /nfs/dbraw/zinc/05/80/43/210058043.db2.gz CQYCXNBPJKADBA-UHFFFAOYSA-N 0 0 348.185 4.514 50 0 EJAARN COc1ccccc1C(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000003567026 210057294 /nfs/dbraw/zinc/05/72/94/210057294.db2.gz BOFDCIVXLVQCJV-UHFFFAOYSA-N 0 0 347.370 4.856 50 0 EJAARN O=C(Cc1c(Cl)cccc1Cl)Nc1ccc(F)c(F)c1F ZINC000003561455 210056487 /nfs/dbraw/zinc/05/64/87/210056487.db2.gz HEFOABOHPLMWJF-UHFFFAOYSA-N 0 0 334.124 4.592 50 0 EJAARN COc1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000003472274 210048548 /nfs/dbraw/zinc/04/85/48/210048548.db2.gz 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/nfs/dbraw/zinc/03/03/83/210030383.db2.gz SJNBXYUNZFLBLW-UHFFFAOYSA-N 0 0 325.355 4.821 50 0 EJAARN O=C(NCCc1ccc(Cl)cc1Cl)c1cc2ccccc2o1 ZINC000003407591 210029370 /nfs/dbraw/zinc/02/93/70/210029370.db2.gz PJKAQMKQZZZACV-UHFFFAOYSA-N 0 0 334.202 4.712 50 0 EJAARN CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1C ZINC000003402664 210027669 /nfs/dbraw/zinc/02/76/69/210027669.db2.gz XAXIUHKRWCKSCV-UHFFFAOYSA-N 0 0 348.402 4.879 50 0 EJAARN CSc1ccccc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000003382499 210023420 /nfs/dbraw/zinc/02/34/20/210023420.db2.gz DNDPLKCBLWWJCA-UHFFFAOYSA-N 0 0 342.247 4.733 50 0 EJAARN CCCOc1ccc(/C=C2/C(=O)Nc3ccccc32)c(OCCC)c1 ZINC000003369823 210020058 /nfs/dbraw/zinc/02/00/58/210020058.db2.gz CODRRTHDNKXPKO-QGOAFFKASA-N 0 0 337.419 4.757 50 0 EJAARN CC(=O)c1cccc(NC(=O)[C@H](C)Sc2ccccc2Cl)c1 ZINC000003380452 210021980 /nfs/dbraw/zinc/02/19/80/210021980.db2.gz OQWDAWUCXOQBDR-LBPRGKRZSA-N 0 0 333.840 4.662 50 0 EJAARN CCn1c(SCc2ccccc2C)nnc1-c1cccc(OC)c1 ZINC000003367864 210019910 /nfs/dbraw/zinc/01/99/10/210019910.db2.gz PFXJPZAWJALQPO-UHFFFAOYSA-N 0 0 339.464 4.574 50 0 EJAARN Cc1nc2sc(-c3ccccc3)cc2c(NCc2ccccn2)n1 ZINC000003370265 210019724 /nfs/dbraw/zinc/01/97/24/210019724.db2.gz HAEKDKWEPOVFSN-UHFFFAOYSA-N 0 0 332.432 4.674 50 0 EJAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1cccs1 ZINC000003345759 210015404 /nfs/dbraw/zinc/01/54/04/210015404.db2.gz OHCDEUBPASYAPI-KRWDZBQOSA-N 0 0 346.455 4.791 50 0 EJAARN C[C@H](Nc1ccc(-c2ccccc2)cc1)C(=O)N(C)Cc1ccccc1 ZINC000003347856 210015126 /nfs/dbraw/zinc/01/51/26/210015126.db2.gz XEJCXFFBYJZIFP-SFHVURJKSA-N 0 0 344.458 4.813 50 0 EJAARN Cc1ccc(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)o1 ZINC000003347332 210014885 /nfs/dbraw/zinc/01/48/85/210014885.db2.gz SUQDKEIUEGUCEZ-SFHVURJKSA-N 0 0 344.414 4.631 50 0 EJAARN CSc1ccccc1C(=O)Nc1ccc(Br)cc1C ZINC000003344317 210013846 /nfs/dbraw/zinc/01/38/46/210013846.db2.gz SNPVZIGBYCZVSJ-UHFFFAOYSA-N 0 0 336.254 4.732 50 0 EJAARN CCC[C@H](C)N(C)C(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000043979397 213605116 /nfs/dbraw/zinc/60/51/16/213605116.db2.gz MJBUMBMBKALGTM-ZDUSSCGKSA-N 0 0 345.468 4.653 50 0 EJAARN Cc1ccc(Nc2nnc(S[C@@H]3CCCCC3=O)s2)c(C)c1 ZINC000003338739 210012397 /nfs/dbraw/zinc/01/23/97/210012397.db2.gz FPUYSDXPWZGLGG-CQSZACIVSA-N 0 0 333.482 4.502 50 0 EJAARN CCOc1ccc([C@@H](C)NC(=O)c2cc(C)ccc2C)cc1OCC ZINC000003334427 210011206 /nfs/dbraw/zinc/01/12/06/210011206.db2.gz MAFCPFUQWDABCG-MRXNPFEDSA-N 0 0 341.451 4.592 50 0 EJAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccccc1 ZINC000003328669 210010011 /nfs/dbraw/zinc/01/00/11/210010011.db2.gz XSMNKYIZINDWTQ-HXUWFJFHSA-N 0 0 340.426 4.730 50 0 EJAARN Cc1ccc(NC(=S)N2CCC[C@H](C(F)(F)F)C2)cc1Cl ZINC000003331097 210009694 /nfs/dbraw/zinc/00/96/94/210009694.db2.gz MRERGKMBAODNCI-JTQLQIEISA-N 0 0 336.810 4.620 50 0 EJAARN CCc1c(C)sc2[nH]c(-c3cccc(C(F)(F)F)c3)nc(=O)c12 ZINC000003331409 210009352 /nfs/dbraw/zinc/00/93/52/210009352.db2.gz XHOWYSGUSJWPGZ-UHFFFAOYSA-N 0 0 338.354 4.541 50 0 EJAARN Fc1cc(NC(=S)Nc2cccc3cnccc32)ccc1Cl ZINC000003331356 210009396 /nfs/dbraw/zinc/00/93/96/210009396.db2.gz VXPNOCUHEGHGAM-UHFFFAOYSA-N 0 0 331.803 4.836 50 0 EJAARN C[C@H](NC(=S)Nc1ccc2oc(C3CC3)nc2c1)c1ccccc1 ZINC000044075206 213607550 /nfs/dbraw/zinc/60/75/50/213607550.db2.gz CVPPOMKZMWOUJU-LBPRGKRZSA-N 0 0 337.448 4.753 50 0 EJAARN Cc1ccc(C)c(-c2csc(NC(=O)Cc3ccccc3F)n2)c1 ZINC000003330026 210008742 /nfs/dbraw/zinc/00/87/42/210008742.db2.gz FVRNCCNJORQOHX-UHFFFAOYSA-N 0 0 340.423 4.747 50 0 EJAARN CCCCn1c(SCc2ccccc2C)nc2ccccc2c1=O ZINC000067259686 215128924 /nfs/dbraw/zinc/12/89/24/215128924.db2.gz AAUMVZAHQHDGMP-UHFFFAOYSA-N 0 0 338.476 4.797 50 0 EJAARN C[C@@H](CCC(C)(C)C(=O)OC[C@@H]1CO1)c1c(Cl)cccc1Cl ZINC000043681896 213591654 /nfs/dbraw/zinc/59/16/54/213591654.db2.gz VALBCASDXQVOLS-RYUDHWBXSA-N 0 0 345.266 4.845 50 0 EJAARN C[C@@H](Nc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003298638 210000465 /nfs/dbraw/zinc/00/04/65/210000465.db2.gz UERCHJKTFJBUKK-SNVBAGLBSA-N 0 0 342.748 4.798 50 0 EJAARN CC(C)(C)c1ccc(OCCC(=O)NCc2ccccc2Cl)cc1 ZINC000003297501 210000154 /nfs/dbraw/zinc/00/01/54/210000154.db2.gz QTPPDJSOSBENFN-UHFFFAOYSA-N 0 0 345.870 4.723 50 0 EJAARN CCOC(=O)CCCCCC(=O)c1ccc(SC)cc1Cl ZINC000043214387 213568934 /nfs/dbraw/zinc/56/89/34/213568934.db2.gz BUKOPJMMKQGXCC-UHFFFAOYSA-N 0 0 328.861 4.758 50 0 EJAARN Cc1oc(-c2ccccc2)nc1CNC(=O)Nc1ccccc1Cl ZINC000015774737 201964140 /nfs/dbraw/zinc/96/41/40/201964140.db2.gz BVJIGAFKYIWJOH-UHFFFAOYSA-N 0 0 341.798 4.625 50 0 EJAARN Cc1nn(C)c(NC(=O)Nc2cccc(Cl)c2)c1C1=CCCCC1 ZINC000015830746 201964571 /nfs/dbraw/zinc/96/45/71/201964571.db2.gz SDKCRWOFMQTJFD-UHFFFAOYSA-N 0 0 344.846 4.983 50 0 EJAARN O=C1Nc2cc(Cl)ccc2/C1=C\c1ccccc1Br ZINC000003239210 209984692 /nfs/dbraw/zinc/98/46/92/209984692.db2.gz KXELMHZKTJYGFM-KPKJPENVSA-N 0 0 334.600 4.595 50 0 EJAARN COc1ccc(-c2ccc(CCC(=O)Nc3ccc(F)cc3)o2)cc1 ZINC000015867358 201968185 /nfs/dbraw/zinc/96/81/85/201968185.db2.gz KGDZOIGUGIZODM-UHFFFAOYSA-N 0 0 339.366 4.666 50 0 EJAARN CCc1nn2c(nccc2-c2ccncc2)c1-c1ccc(Cl)cc1 ZINC000067631121 215170500 /nfs/dbraw/zinc/17/05/00/215170500.db2.gz QLFOAYKRLROVET-UHFFFAOYSA-N 0 0 334.810 4.674 50 0 EJAARN O[C@@H](c1c[nH]cc1-c1ccc(Br)cc1)c1ccccc1 ZINC000003105608 209964490 /nfs/dbraw/zinc/96/44/90/209964490.db2.gz AZIRDFULJUAZDP-QGZVFWFLSA-N 0 0 328.209 4.526 50 0 EJAARN O=C(NCCc1ccc(Cl)cc1)C(c1ccccc1)c1ccccc1 ZINC000003096350 209962631 /nfs/dbraw/zinc/96/26/31/209962631.db2.gz KSSLXUWPVXYGNI-UHFFFAOYSA-N 0 0 349.861 4.831 50 0 EJAARN C(=C/c1ccccn1)\c1ccc(-n2ccnc2[C@H]2CCCCO2)cc1 ZINC000067677956 215182491 /nfs/dbraw/zinc/18/24/91/215182491.db2.gz DZEHWMGTGFCXKP-JRMCHAMMSA-N 0 0 331.419 4.679 50 0 EJAARN CSc1ccc(-c2nc(Cn3ccnc3C(C)C)c(C)o2)cc1 ZINC000067756156 215204440 /nfs/dbraw/zinc/20/44/40/215204440.db2.gz IVNYFQGTLOYVCS-UHFFFAOYSA-N 0 0 327.453 4.740 50 0 EJAARN CCc1cc(OCCCOc2ccc(C=O)cc2OC)ccc1Cl ZINC000002984130 209949116 /nfs/dbraw/zinc/94/91/16/209949116.db2.gz FNQUEVLZVSLZGB-UHFFFAOYSA-N 0 0 348.826 4.571 50 0 EJAARN CCCCOC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000002963486 209945915 /nfs/dbraw/zinc/94/59/15/209945915.db2.gz BMVJDTNPPMDMFC-UHFFFAOYSA-N 0 0 346.814 4.941 50 0 EJAARN CCc1ccccc1NC(=O)[C@]1(c2ccccc2)CC1(Cl)Cl ZINC000002947472 209944627 /nfs/dbraw/zinc/94/46/27/209944627.db2.gz UUSYHVMVJMUGIM-QGZVFWFLSA-N 0 0 334.246 4.703 50 0 EJAARN COc1cccc(OCCCOc2ccc(Cl)cc2Cl)c1 ZINC000002904906 209939648 /nfs/dbraw/zinc/93/96/48/209939648.db2.gz NLXYPECYPORYKT-UHFFFAOYSA-N 0 0 327.207 4.850 50 0 EJAARN O=C(c1ccc(-c2ccoc2)nc1)N1CCC[C@H](c2ccccc2)CC1 ZINC000067817833 215219564 /nfs/dbraw/zinc/21/95/64/215219564.db2.gz GUUYVDKVHDEFHQ-SFHVURJKSA-N 0 0 346.430 4.752 50 0 EJAARN COc1ccccc1OCCCCCCOc1ccccc1OC ZINC000002880498 209935190 /nfs/dbraw/zinc/93/51/90/209935190.db2.gz WQVCHZYFLLBRRX-UHFFFAOYSA-N 0 0 330.424 4.722 50 0 EJAARN CCCCOc1ccc(C(=O)Nc2ccccc2OC(C)C)cc1 ZINC000002870214 209931638 /nfs/dbraw/zinc/93/16/38/209931638.db2.gz TYHRYABMBLZYQN-UHFFFAOYSA-N 0 0 327.424 4.905 50 0 EJAARN COc1ccc(Cl)cc1Nc1nc(-c2ccc(O)cc2)cs1 ZINC000002860754 209929401 /nfs/dbraw/zinc/92/94/01/209929401.db2.gz HMNLXHLJRBYVAH-UHFFFAOYSA-N 0 0 332.812 4.921 50 0 EJAARN CCC(CC)C(=O)Nc1ccc(NC(=O)c2cccs2)c(C)c1 ZINC000002835186 209925862 /nfs/dbraw/zinc/92/58/62/209925862.db2.gz GFQQOVQZTSCBLL-UHFFFAOYSA-N 0 0 330.453 4.684 50 0 EJAARN Cc1cc(F)ccc1NC(=O)c1cccc(OC(F)(F)C(F)F)c1 ZINC000002762325 209905154 /nfs/dbraw/zinc/90/51/54/209905154.db2.gz CBERMBFLJNETJJ-UHFFFAOYSA-N 0 0 345.267 4.623 50 0 EJAARN COC(=O)c1c(NC(=O)C2CC2)sc(C)c1-c1ccc(Cl)cc1 ZINC000002760817 209903959 /nfs/dbraw/zinc/90/39/59/209903959.db2.gz RVHLUDJKFFHIBI-UHFFFAOYSA-N 0 0 349.839 4.512 50 0 EJAARN O=C(Nc1ccc(Cl)cc1)c1ccc(COc2ccc(F)cc2)o1 ZINC000002759948 209904108 /nfs/dbraw/zinc/90/41/08/209904108.db2.gz ZWIBOHMOVGHVIH-UHFFFAOYSA-N 0 0 345.757 4.903 50 0 EJAARN CCCC[C@H](CC)CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1C ZINC000002741508 209898956 /nfs/dbraw/zinc/89/89/56/209898956.db2.gz ZUHBJWDLYMASGY-CABCVRRESA-N 0 0 325.880 4.748 50 0 EJAARN Cc1sc(NC(=O)/C=C/c2cccs2)nc1-c1ccccc1 ZINC000002737121 209899525 /nfs/dbraw/zinc/89/95/25/209899525.db2.gz RZJXSIMXKQTJQB-MDZDMXLPSA-N 0 0 326.446 4.832 50 0 EJAARN Cc1cccc(Cc2cnc(NC(=O)c3ccccc3Cl)s2)c1 ZINC000002669178 209888966 /nfs/dbraw/zinc/88/89/66/209888966.db2.gz NKOFCOJBVCEINJ-UHFFFAOYSA-N 0 0 342.851 4.948 50 0 EJAARN Cc1ccc(Nc2nnc(SC[C@@H]3CCCCO3)s2)cc1C ZINC000002655229 209885187 /nfs/dbraw/zinc/88/51/87/209885187.db2.gz PBPDQDNLUAJKKA-AWEZNQCLSA-N 0 0 335.498 4.560 50 0 EJAARN COc1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)c(OC)c1 ZINC000002654898 209885246 /nfs/dbraw/zinc/88/52/46/209885246.db2.gz DHLFEXBXSYDZCO-UHFFFAOYSA-N 0 0 347.414 4.552 50 0 EJAARN O=C(CCc1nc2ccccc2s1)Nc1ccc(F)c(Cl)c1 ZINC000002645353 209882139 /nfs/dbraw/zinc/88/21/39/209882139.db2.gz VRFIBJVJLNQPPB-UHFFFAOYSA-N 0 0 334.803 4.660 50 0 EJAARN CSc1ccccc1CCC(=O)c1cccc(Br)c1 ZINC000002516607 209862398 /nfs/dbraw/zinc/86/23/98/209862398.db2.gz LZMXJNVJGITUDO-UHFFFAOYSA-N 0 0 335.266 4.987 50 0 EJAARN CC1(C)COC(CCCCC(=O)c2ccc3ccccc3c2)OC1 ZINC000002518132 209862495 /nfs/dbraw/zinc/86/24/95/209862495.db2.gz HVIKLJARIQCPMV-UHFFFAOYSA-N 0 0 326.436 4.982 50 0 EJAARN COc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000002493660 209858339 /nfs/dbraw/zinc/85/83/39/209858339.db2.gz PJZWQTXESADMGT-UHFFFAOYSA-N 0 0 329.705 4.620 50 0 EJAARN O=C(Cc1ccccc1Br)c1cccc(C(F)(F)F)c1 ZINC000002393029 209846717 /nfs/dbraw/zinc/84/67/17/209846717.db2.gz CJEARCZMEJWKBZ-UHFFFAOYSA-N 0 0 343.142 4.893 50 0 EJAARN CCOC(=O)CCCCCCC(=O)c1ccccc1Br ZINC000002378867 209846230 /nfs/dbraw/zinc/84/62/30/209846230.db2.gz WJTDTUAJIIESJQ-UHFFFAOYSA-N 0 0 341.245 4.536 50 0 EJAARN Cc1ccc2[nH]cc(CCNC(=O)c3cccc4ccccc43)c2c1 ZINC000002237811 209833847 /nfs/dbraw/zinc/83/38/47/209833847.db2.gz DELDAOSYNSVUKG-UHFFFAOYSA-N 0 0 328.415 4.602 50 0 EJAARN COc1ccc(OC)c2c(/C=C/c3c[nH]c4ccccc34)ccnc12 ZINC000068755421 215331328 /nfs/dbraw/zinc/33/13/28/215331328.db2.gz AXNIWTPFDUKVDR-BQYQJAHWSA-N 0 0 330.387 4.904 50 0 EJAARN CCc1ccccc1NC(=O)[C@@H]1[C@@H](c2ccccc2)C1(Cl)Cl ZINC000002188548 209827333 /nfs/dbraw/zinc/82/73/33/209827333.db2.gz QQAFPMSTDLZFFD-CVEARBPZSA-N 0 0 334.246 4.775 50 0 EJAARN C[C@@H]1CCCN(C(=O)c2ccc(SCc3cccnc3)cc2)CC1 ZINC000068783822 215333811 /nfs/dbraw/zinc/33/38/11/215333811.db2.gz TZJUVJUQAYSLHQ-MRXNPFEDSA-N 0 0 340.492 4.636 50 0 EJAARN O=C(/C=C/c1cccc(Cl)c1)Nc1ccc(Br)cc1 ZINC000001952329 209807588 /nfs/dbraw/zinc/80/75/88/209807588.db2.gz XVRGGGJYIKSPPT-RUDMXATFSA-N 0 0 336.616 4.754 50 0 EJAARN CCCCn1cnc2scc(-c3ccc(OCCC)cc3)c2c1=O ZINC000001911981 209805021 /nfs/dbraw/zinc/80/50/21/209805021.db2.gz IJWZOLBUAVLANP-UHFFFAOYSA-N 0 0 342.464 4.714 50 0 EJAARN C[C@@H](NCc1csc(-c2ccccn2)n1)c1ccc(Cl)cc1 ZINC000040487734 213316658 /nfs/dbraw/zinc/31/66/58/213316658.db2.gz KHQWMNSBAJNSSJ-GFCCVEGCSA-N 0 0 329.856 4.709 50 0 EJAARN CC[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)c1c(C)noc1C ZINC000069484588 215435825 /nfs/dbraw/zinc/43/58/25/215435825.db2.gz XCVUHRQMVTURPX-CYBMUJFWSA-N 0 0 340.395 4.738 50 0 EJAARN Cn1c(C(=O)Nc2cccc(COc3ccccc3)c2)cc2occc21 ZINC000040288268 213289673 /nfs/dbraw/zinc/28/96/73/213289673.db2.gz GSSQRSGPFLVFKR-UHFFFAOYSA-N 0 0 346.386 4.603 50 0 EJAARN Cc1c(C)n(-c2ccccn2)c2nc(-c3ccccc3)c(C)c(N)c12 ZINC000040268973 213287149 /nfs/dbraw/zinc/28/71/49/213287149.db2.gz WFHJYLDUDZMBHH-UHFFFAOYSA-N 0 0 328.419 4.595 50 0 EJAARN Cc1ccc(Cl)c(OCC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000040160319 213277164 /nfs/dbraw/zinc/27/71/64/213277164.db2.gz AXCNNAADYLCBSE-UHFFFAOYSA-N 0 0 343.732 4.685 50 0 EJAARN Brc1ccccc1CSc1nncc2ccccc21 ZINC000040160652 213276763 /nfs/dbraw/zinc/27/67/63/213276763.db2.gz GDYHBDDQXZUOLZ-UHFFFAOYSA-N 0 0 331.238 4.685 50 0 EJAARN Cc1nc2scc(CC(C)C)c2c(Oc2cccc3n[nH]cc32)n1 ZINC000040158224 213275870 /nfs/dbraw/zinc/27/58/70/213275870.db2.gz YZHQRHVTMAOSRJ-UHFFFAOYSA-N 0 0 338.436 4.867 50 0 EJAARN OCc1cccc(Nc2ncnc3scc(-c4ccccc4)c32)c1 ZINC000040160632 213276979 /nfs/dbraw/zinc/27/69/79/213276979.db2.gz NZMRGNIIPQJVTC-UHFFFAOYSA-N 0 0 333.416 4.594 50 0 EJAARN Cc1ccccc1[C@H]1CCCN1C(=O)Nc1cccc(-n2cccn2)c1 ZINC000040152291 213273222 /nfs/dbraw/zinc/27/32/22/213273222.db2.gz VQHZPEAPUMMJNB-HXUWFJFHSA-N 0 0 346.434 4.550 50 0 EJAARN O=C(c1cnc(-c2ccccc2)s1)N1CCC[C@@H]1c1ccsc1 ZINC000040110550 213266825 /nfs/dbraw/zinc/26/68/25/213266825.db2.gz WTLGBJPUYTWODB-OAHLLOKOSA-N 0 0 340.473 4.849 50 0 EJAARN O=C(Nc1ccccc1N1CCCC1)N[C@H](c1ccccc1)C1CC1 ZINC000040103751 213265029 /nfs/dbraw/zinc/26/50/29/213265029.db2.gz AUZZRPWBYPGFJF-HXUWFJFHSA-N 0 0 335.451 4.560 50 0 EJAARN CCCC[C@@H](CC)CNC(=O)Nc1ccc(NC(C)=O)c(Cl)c1 ZINC000040104414 213265051 /nfs/dbraw/zinc/26/50/51/213265051.db2.gz RMQRXRICYAYZRS-CYBMUJFWSA-N 0 0 339.867 4.636 50 0 EJAARN CCCCN(CCCC)C(=O)Nc1ccc(NC(C)=O)c(Cl)c1 ZINC000040104413 213264455 /nfs/dbraw/zinc/26/44/55/213264455.db2.gz NFQNFSBXSZYJDC-UHFFFAOYSA-N 0 0 339.867 4.733 50 0 EJAARN COc1ccc(C)cc1N[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000040086330 213260301 /nfs/dbraw/zinc/26/03/01/213260301.db2.gz BSCWANGYOPKFCW-LBPRGKRZSA-N 0 0 331.366 4.922 50 0 EJAARN CC(C)[C@@H](NC(=O)C1CCOCC1)c1ccc(C2CCCCC2)cc1 ZINC000019311674 202003978 /nfs/dbraw/zinc/00/39/78/202003978.db2.gz SXMXQLFYFARHJK-OAQYLSRUSA-N 0 0 343.511 4.974 50 0 EJAARN O=C(Cc1ccc2ccccc2c1)N(Cc1ccccc1F)C1CC1 ZINC000019296164 202004791 /nfs/dbraw/zinc/00/47/91/202004791.db2.gz OIVRCDGYFGOILE-UHFFFAOYSA-N 0 0 333.406 4.713 50 0 EJAARN COc1ccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2C(C)C)cc1 ZINC000040073356 213258306 /nfs/dbraw/zinc/25/83/06/213258306.db2.gz BMEZKHHBIARVPS-UHFFFAOYSA-N 0 0 349.434 4.565 50 0 EJAARN CCn1cc(C(=O)N(C)[C@@H](C)c2ccccc2OC)c2ccccc21 ZINC000040070319 213258128 /nfs/dbraw/zinc/25/81/28/213258128.db2.gz KQINIKOWQQPIPI-HNNXBMFYSA-N 0 0 336.435 4.503 50 0 EJAARN O=C(Nc1ccccc1F)c1ccc(OCc2cccs2)cc1 ZINC000040073390 213258222 /nfs/dbraw/zinc/25/82/22/213258222.db2.gz FJPWAKRIFPOFGQ-UHFFFAOYSA-N 0 0 327.380 4.719 50 0 EJAARN CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(Cl)c(N)c1 ZINC000019736697 202016739 /nfs/dbraw/zinc/01/67/39/202016739.db2.gz MYFXIFSWODZJOP-STQMWFEESA-N 0 0 346.858 4.842 50 0 EJAARN O=C(OCc1cccs1)c1ccc(CSc2ccccc2)o1 ZINC000040060211 213256197 /nfs/dbraw/zinc/25/61/97/213256197.db2.gz RTJBDBZSVFASOD-UHFFFAOYSA-N 0 0 330.430 4.990 50 0 EJAARN C[C@@H](NCc1csc(-c2ccccn2)n1)c1ccccc1Cl ZINC000040039180 213254614 /nfs/dbraw/zinc/25/46/14/213254614.db2.gz BVFJSQKVFCRTMZ-GFCCVEGCSA-N 0 0 329.856 4.709 50 0 EJAARN Cn1cccc1[C@@H]1CCCCCN1C(=O)c1ccc(Cl)cc1F ZINC000040047337 213254269 /nfs/dbraw/zinc/25/42/69/213254269.db2.gz KOBYVJJXTYJSGN-KRWDZBQOSA-N 0 0 334.822 4.575 50 0 EJAARN O=S(=O)(c1ccccc1)C1=CC2c3ccccc3C1c1ccccc12 ZINC000039428265 213236175 /nfs/dbraw/zinc/23/61/75/213236175.db2.gz DGGONIYYSSURKZ-UHFFFAOYSA-N 0 0 344.435 4.635 50 0 EJAARN O=S(=O)(c1ccccc1)[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000039247183 213233036 /nfs/dbraw/zinc/23/30/36/213233036.db2.gz UXBRMSHTEPIPIZ-ORFBVSJDSA-N 0 0 346.451 4.510 50 0 EJAARN O=S(=O)(c1ccccc1)[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000039247182 213232691 /nfs/dbraw/zinc/23/26/91/213232691.db2.gz UXBRMSHTEPIPIZ-ATKRNPRHSA-N 0 0 346.451 4.510 50 0 EJAARN CCOc1cccc(C(=O)NC(c2ccccc2)c2ccccc2)c1 ZINC000001059968 209706266 /nfs/dbraw/zinc/70/62/66/209706266.db2.gz HHVTVKLDUUWTRA-UHFFFAOYSA-N 0 0 331.415 4.605 50 0 EJAARN Cc1ccc(C)c([C@@H](NC(=O)c2ccc(F)cc2)c2ccccc2)c1 ZINC000000619898 209683690 /nfs/dbraw/zinc/68/36/90/209683690.db2.gz DZHYWUBYHXDDLW-NRFANRHFSA-N 0 0 333.406 4.962 50 0 EJAARN Cc1nc(-c2cccs2)c(CCC(=O)Nc2ccccc2F)s1 ZINC000019819672 202021996 /nfs/dbraw/zinc/02/19/96/202021996.db2.gz NMUWHIRCCVYCLS-UHFFFAOYSA-N 0 0 346.452 4.890 50 0 EJAARN C[C@H](c1ccccc1)n1cnc2cc(NC(=O)c3cccs3)ccc21 ZINC000000614262 209678221 /nfs/dbraw/zinc/67/82/21/209678221.db2.gz CNZQAIAPXZMPMT-CQSZACIVSA-N 0 0 347.443 4.959 50 0 EJAARN CN(C(=S)NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000000615359 209680079 /nfs/dbraw/zinc/68/00/79/209680079.db2.gz WARLRMGDKHFJDY-UHFFFAOYSA-N 0 0 346.455 4.505 50 0 EJAARN CCC(CC)C(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000000614936 209680121 /nfs/dbraw/zinc/68/01/21/209680121.db2.gz VUCUFCPPCXLODX-HNNXBMFYSA-N 0 0 338.451 4.552 50 0 EJAARN CC(=O)Nc1cccc(NC(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000000610544 209675268 /nfs/dbraw/zinc/67/52/68/209675268.db2.gz AQEGAECEIZFNBM-UHFFFAOYSA-N 0 0 338.194 4.596 50 0 EJAARN O=C(Nc1ccc2c(c1)OCO2)Nc1ccccc1Cc1ccccc1 ZINC000000609183 209673964 /nfs/dbraw/zinc/67/39/64/209673964.db2.gz YFAXKKXUQNQSBJ-UHFFFAOYSA-N 0 0 346.386 4.650 50 0 EJAARN COC(=O)c1cc(Nc2ccc(C)c(Cl)c2)c2cccc(F)c2n1 ZINC000038486938 213209992 /nfs/dbraw/zinc/20/99/92/213209992.db2.gz CEYLPCUZPMYCGG-UHFFFAOYSA-N 0 0 344.773 4.866 50 0 EJAARN C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1c(F)cccc1F ZINC000000562762 209666001 /nfs/dbraw/zinc/66/60/01/209666001.db2.gz ULOIHBIBKLJZHH-VIFPVBQESA-N 0 0 327.783 4.738 50 0 EJAARN CCCCCn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccccc1 ZINC000038139204 213202843 /nfs/dbraw/zinc/20/28/43/213202843.db2.gz VULKUEZRVYZHMP-MRXNPFEDSA-N 0 0 335.451 4.718 50 0 EJAARN CCC(=O)Oc1ccc2c(c1)oc(C)c(-c1ccc(Cl)cc1)c2=O ZINC000000540627 209656659 /nfs/dbraw/zinc/65/66/59/209656659.db2.gz RZTRCTFNQQIGKH-UHFFFAOYSA-N 0 0 342.778 4.737 50 0 biogenic EJAARN O=C(CSc1nc(-c2ccccc2)nc2c1CCC2)c1ccccc1 ZINC000000536884 209653480 /nfs/dbraw/zinc/65/34/80/209653480.db2.gz GFUHZXGCLNWGDI-UHFFFAOYSA-N 0 0 346.455 4.607 50 0 EJAARN CSc1ncnc2c3cc4c(nc3sc21)CC(C)(C)SC4 ZINC000000529036 209650070 /nfs/dbraw/zinc/65/00/70/209650070.db2.gz QSBBEGWEEYNLQL-UHFFFAOYSA-N 0 0 333.507 4.529 50 0 EJAARN CCOc1ccc([C@@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)cc1 ZINC000020060239 202030391 /nfs/dbraw/zinc/03/03/91/202030391.db2.gz ZZEJDOSOSDOGJV-OAQYLSRUSA-N 0 0 333.435 4.846 50 0 EJAARN c1nc(-c2nc(C(c3ccccc3)c3ccccc3)no2)c(C2CC2)o1 ZINC000020210996 202035899 /nfs/dbraw/zinc/03/58/99/202035899.db2.gz IQQQSLPNAPTGIM-UHFFFAOYSA-N 0 0 343.386 4.782 50 0 EJAARN CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)Cc1c(F)cccc1Cl ZINC000020337785 202039634 /nfs/dbraw/zinc/03/96/34/202039634.db2.gz LSVPVYMPCCZPIV-CJNGLKHVSA-N 0 0 325.855 4.743 50 0 EJAARN Fc1ccc(Nc2ncnc3onc(-c4cccc(Cl)c4)c32)cc1 ZINC000020329676 202037609 /nfs/dbraw/zinc/03/76/09/202037609.db2.gz KDHAOHAVFMNACE-UHFFFAOYSA-N 0 0 340.745 4.821 50 0 EJAARN Cc1sc(NC(=O)C2CC2)nc1-c1ccc(Cl)cc1Cl ZINC000020343045 202039020 /nfs/dbraw/zinc/03/90/20/202039020.db2.gz CWXYDIHBJDWHFH-UHFFFAOYSA-N 0 0 327.236 4.774 50 0 EJAARN CCc1ccc(Nc2c3[nH]cccc-3c(=O)n2-c2ccc(C)cc2)cc1 ZINC000020437350 202041956 /nfs/dbraw/zinc/04/19/56/202041956.db2.gz XMIMNGKUZLJGPQ-OAQYLSRUSA-N 0 0 343.430 4.724 50 0 EJAARN Oc1ccccc1-c1nc2c(c(=S)[nH]1)Cc1cc(Cl)ccc1O2 ZINC000020380355 202040316 /nfs/dbraw/zinc/04/03/16/202040316.db2.gz KNWBFOVKZQBROQ-UHFFFAOYSA-N 0 0 342.807 4.862 50 0 EJAARN CC(C)c1ccc(OC(=O)C2=C(c3ccccc3)SCCO2)cc1 ZINC000020734015 202053853 /nfs/dbraw/zinc/05/38/53/202053853.db2.gz JDHICTGGTUEZIJ-UHFFFAOYSA-N 0 0 340.444 4.848 50 0 EJAARN Cc1noc2nc(-c3ccc(Br)cc3)cc(C(F)F)c12 ZINC000020605555 202050157 /nfs/dbraw/zinc/05/01/57/202050157.db2.gz IMIJRZYQECYJMR-UHFFFAOYSA-N 0 0 339.139 4.898 50 0 EJAARN O=C(NCc1cccs1)c1ccc(-n2ccc3ccccc32)s1 ZINC000020986074 202059384 /nfs/dbraw/zinc/05/93/84/202059384.db2.gz IMDXLBPJBOUOLX-UHFFFAOYSA-N 0 0 338.457 4.684 50 0 EJAARN CCOc1ccccc1NC(=O)C[C@H](c1ccccc1C)n1cccc1 ZINC000020998761 202060481 /nfs/dbraw/zinc/06/04/81/202060481.db2.gz HFGKEHOKMBDSEJ-HXUWFJFHSA-N 0 0 348.446 4.813 50 0 EJAARN CCN(Cc1ccccc1)C(=O)C[C@H](c1cccc(C)c1)n1cccc1 ZINC000021015929 202061248 /nfs/dbraw/zinc/06/12/48/202061248.db2.gz QOCKGSSTYVWOKW-JOCHJYFZSA-N 0 0 346.474 4.825 50 0 EJAARN CC(=O)c1cccc(NC(=O)C[C@H](c2ccc(C)cc2)n2cccc2)c1 ZINC000020997911 202061329 /nfs/dbraw/zinc/06/13/29/202061329.db2.gz XPZHDNLYRBJMAC-OAQYLSRUSA-N 0 0 346.430 4.617 50 0 EJAARN CCCCN(CC)C(=O)c1cc(-c2ccc(C(C)(C)C)cc2)on1 ZINC000022334178 202083467 /nfs/dbraw/zinc/08/34/67/202083467.db2.gz URJDAYNBABDWHX-UHFFFAOYSA-N 0 0 328.456 4.901 50 0 EJAARN CCC(=O)Nc1cc(C(C)(C)C)nn1-c1cc(Cl)ccc1Cl ZINC000022348918 202084672 /nfs/dbraw/zinc/08/46/72/202084672.db2.gz UTZKAWFJCXBLNJ-UHFFFAOYSA-N 0 0 340.254 4.825 50 0 EJAARN CCCc1cc([C@H]2CCCN2Cc2cccc(Br)c2)no1 ZINC000021720228 202070038 /nfs/dbraw/zinc/07/00/38/202070038.db2.gz CXLGAWQYEFAXTI-QGZVFWFLSA-N 0 0 349.272 4.727 50 0 EJAARN CCCCCCNc1cc(C)nc2c(-c3ccc(F)cc3)cnn21 ZINC000021799081 202071063 /nfs/dbraw/zinc/07/10/63/202071063.db2.gz PDUYBHKBQPSDSZ-UHFFFAOYSA-N 0 0 326.419 4.836 50 0 EJAARN Cc1ccccc1CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)[nH]1 ZINC000021883811 202072964 /nfs/dbraw/zinc/07/29/64/202072964.db2.gz ITJSOAREMPCVOP-UHFFFAOYSA-N 0 0 347.443 4.519 50 0 EJAARN COc1ccc2cc([C@H](C)C(=O)N(C)Cc3ccsc3)ccc2c1 ZINC000021935719 202074501 /nfs/dbraw/zinc/07/45/01/202074501.db2.gz MMVOIFIKEKHYMT-AWEZNQCLSA-N 0 0 339.460 4.672 50 0 EJAARN O=C(NCCc1cccs1)c1ccc(-c2ccc(F)cc2)s1 ZINC000021911693 202074560 /nfs/dbraw/zinc/07/45/60/202074560.db2.gz VWKUORJIWOFNTE-UHFFFAOYSA-N 0 0 331.437 4.588 50 0 EJAARN 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ZINC000000429197 209595577 /nfs/dbraw/zinc/59/55/77/209595577.db2.gz DIFAULAXYOVFIK-UHFFFAOYSA-N 0 0 343.883 4.661 50 0 EJAARN CC(C)(C)C(=O)Nc1c(-c2ccc(Cl)cc2)nc2ccccn21 ZINC000034912527 212997326 /nfs/dbraw/zinc/99/73/26/212997326.db2.gz HYTWHNSRNDSYLW-UHFFFAOYSA-N 0 0 327.815 4.639 50 0 EJAARN Brc1cc(Br)cc(OCc2ccccc2)c1 ZINC000034364266 212976392 /nfs/dbraw/zinc/97/63/92/212976392.db2.gz CROMNVSVLZKBEF-UHFFFAOYSA-N 0 0 342.030 4.791 50 0 EJAARN COc1ccc2nc(NC(=O)/C=C\c3ccc(Cl)cc3)sc2c1 ZINC000033378118 212932540 /nfs/dbraw/zinc/93/25/40/212932540.db2.gz BPUGCWYBSXPHBF-WTKPLQERSA-N 0 0 344.823 4.610 50 0 EJAARN O=C(/C=C\c1cccs1)Nc1nc(-c2ccc(F)cc2F)cs1 ZINC000033348290 212930049 /nfs/dbraw/zinc/93/00/49/212930049.db2.gz IKODKFFSCCIADJ-XQRVVYSFSA-N 0 0 348.399 4.802 50 0 EJAARN CCC[C@@H](O)c1nc2ccccc2n1CCOc1ccc(C)cc1C ZINC000033317722 212923763 /nfs/dbraw/zinc/92/37/63/212923763.db2.gz AYJMFUCJJQHDDO-LJQANCHMSA-N 0 0 338.451 4.566 50 0 EJAARN 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ZINC000036349061 202322696 /nfs/dbraw/zinc/32/26/96/202322696.db2.gz HUZMFYVIYVUQKG-UHFFFAOYSA-N 0 0 332.403 4.679 50 0 EJAARN C[C@H](NC(=O)c1cc(-c2ccco2)on1)c1cccc2ccccc21 ZINC000037133082 202336399 /nfs/dbraw/zinc/33/63/99/202336399.db2.gz HXMPQROBSNOAMC-ZDUSSCGKSA-N 0 0 332.359 4.579 50 0 EJAARN O=C(CCc1ccc(Cl)cc1)N[C@H]1CCSc2ccc(F)cc21 ZINC000037127514 202336818 /nfs/dbraw/zinc/33/68/18/202336818.db2.gz LNHPKFAXASZBBF-INIZCTEOSA-N 0 0 349.858 4.765 50 0 EJAARN Cc1ccc(CNC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000036620379 202327058 /nfs/dbraw/zinc/32/70/58/202327058.db2.gz BKMMCDZPSDVCJY-SFHVURJKSA-N 0 0 328.843 4.695 50 0 EJAARN CCCNC(=O)c1cc2sc(C)cc2n1Cc1cccc(Cl)c1 ZINC000037542488 202345074 /nfs/dbraw/zinc/34/50/74/202345074.db2.gz GGBRFXVUMNNKAN-UHFFFAOYSA-N 0 0 346.883 4.853 50 0 EJAARN Cc1nn(C(C)C)c(C)c1NC(=O)c1cc(Cl)ccc1OC(C)C ZINC000074510614 202373733 /nfs/dbraw/zinc/37/37/33/202373733.db2.gz KOTMZFZGBYCTEV-UHFFFAOYSA-N 0 0 349.862 4.774 50 0 EJAARN CC(=O)Nc1ccc(Oc2c(Cl)c(C)nc(C)c2Cl)cc1 ZINC000000408139 209572702 /nfs/dbraw/zinc/57/27/02/209572702.db2.gz LDEGTFPFAVHVRU-UHFFFAOYSA-N 0 0 325.195 4.756 50 0 EJAARN Cc1cc(Br)c(OC(=O)Nc2ccc(F)cc2)cc1C ZINC000000398373 209568642 /nfs/dbraw/zinc/56/86/42/209568642.db2.gz DRBCXKWAOBSNIX-UHFFFAOYSA-N 0 0 338.176 4.816 50 0 EJAARN Cc1ccc(OC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000000383558 209562857 /nfs/dbraw/zinc/56/28/57/209562857.db2.gz KVHVCFPZUQLXQX-UHFFFAOYSA-N 0 0 345.609 4.940 50 0 EJAARN CC[C@@]1(C)Oc2ccc(NC(=O)c3ccccc3SC)cc2O1 ZINC000000381987 209561550 /nfs/dbraw/zinc/56/15/50/209561550.db2.gz WTHGHFKXLLFJTM-SFHVURJKSA-N 0 0 329.421 4.558 50 0 EJAARN O[C@H](CSc1nc2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000000389393 209566040 /nfs/dbraw/zinc/56/60/40/209566040.db2.gz AKDQUKKDMUMYOC-CQSZACIVSA-N 0 0 339.247 4.695 50 0 EJAARN CCc1ccc(OCc2cccc(C(=O)NCc3ccccc3)c2)cc1 ZINC000000372212 209556523 /nfs/dbraw/zinc/55/65/23/209556523.db2.gz XDHRHJKNJYZRGT-UHFFFAOYSA-N 0 0 345.442 4.758 50 0 EJAARN O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1cccc2ccccc21 ZINC000040087144 202422211 /nfs/dbraw/zinc/42/22/11/202422211.db2.gz GNFYQNQVIMIPSP-UHFFFAOYSA-N 0 0 345.427 4.940 50 0 EJAARN C/C(Cl)=C\COc1cc(C)nc2ccc(Br)cc21 ZINC000000366127 209553482 /nfs/dbraw/zinc/55/34/82/209553482.db2.gz LKXNJCLMVVZNJH-WEVVVXLNSA-N 0 0 326.621 4.827 50 0 EJAARN COc1ccccc1C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000000363813 209552156 /nfs/dbraw/zinc/55/21/56/209552156.db2.gz IDUWQBPFYLBKRJ-UHFFFAOYSA-N 0 0 329.705 4.620 50 0 EJAARN Brc1ccccc1CCc1ccccc1Br ZINC000000360960 209551126 /nfs/dbraw/zinc/55/11/26/209551126.db2.gz CVGGCYQDKJYOCA-UHFFFAOYSA-N 0 0 340.058 4.997 50 0 EJAARN COc1ccc(-c2noc(-c3ccc(C(C)(C)C)cc3)n2)cc1OC ZINC000000342019 209541922 /nfs/dbraw/zinc/54/19/22/209541922.db2.gz LSRXSEDCUXUCLG-UHFFFAOYSA-N 0 0 338.407 4.718 50 0 EJAARN COc1ccc(Cl)cc1NC(=O)COc1ccc2ccccc2c1 ZINC000000323935 209537578 /nfs/dbraw/zinc/53/75/78/209537578.db2.gz VJUSTWQGFDBZFY-UHFFFAOYSA-N 0 0 341.794 4.519 50 0 EJAARN 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/nfs/dbraw/zinc/41/51/25/209415125.db2.gz VOPMSINZACOUJY-CYBMUJFWSA-N 0 0 327.689 4.640 50 0 EJAARN CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(C(C)=O)cc1 ZINC000000090680 209413919 /nfs/dbraw/zinc/41/39/19/209413919.db2.gz INBPMTNLYMLYAC-UHFFFAOYSA-N 0 0 348.402 4.666 50 0 EJAARN O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc(F)cc1 ZINC000000088061 209411950 /nfs/dbraw/zinc/41/19/50/209411950.db2.gz ACGYFFTVBJSGFC-UHFFFAOYSA-N 0 0 327.355 4.510 50 0 EJAARN Cc1cc(C(=O)N(C)Cc2csc(-c3cccs3)n2)cs1 ZINC000072421821 216210711 /nfs/dbraw/zinc/21/07/11/216210711.db2.gz PXUDYEMRPSNCRS-UHFFFAOYSA-N 0 0 334.491 4.514 50 0 EJAARN O=C(NCc1ccc(Cl)cc1)C1c2ccccc2Oc2ccccc21 ZINC000000081194 209407303 /nfs/dbraw/zinc/40/73/03/209407303.db2.gz HXRFGNJVSZFYPH-UHFFFAOYSA-N 0 0 349.817 4.894 50 0 EJAARN Cc1ccc(-n2c(=O)c3ccccc3nc2-c2ccccc2F)cc1C ZINC000000069896 209399666 /nfs/dbraw/zinc/39/96/66/209399666.db2.gz QVWQOUHHTCAFPB-UHFFFAOYSA-N 0 0 344.389 4.809 50 0 EJAARN Clc1ccc([C@H](OCC[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000000057252 209392839 /nfs/dbraw/zinc/39/28/39/209392839.db2.gz FLNXBVJLPJNOSI-HXUWFJFHSA-N 0 0 329.871 4.932 50 0 world EJAARN CSc1nc2ccc(NC(=O)CCc3ccccc3)cc2s1 ZINC000000048938 209389711 /nfs/dbraw/zinc/38/97/11/209389711.db2.gz RQXWOZNKNQGWEC-UHFFFAOYSA-N 0 0 328.462 4.590 50 0 EJAARN CC(C)(C)c1nc(CSc2nc3cc(Cl)ccc3s2)no1 ZINC000028008652 212594897 /nfs/dbraw/zinc/59/48/97/212594897.db2.gz CMYOKWXIYGOLEO-UHFFFAOYSA-N 0 0 339.873 4.923 50 0 EJAARN Fc1ccc(-c2cc(NCc3ccccn3)nc3[nH]ccc32)cc1F ZINC000072448241 216238956 /nfs/dbraw/zinc/23/89/56/216238956.db2.gz AZXHWWFXVWLWAG-UHFFFAOYSA-N 0 0 336.345 4.515 50 0 EJAARN Cc1cccc(-n2ccnc2S[C@@H](C)c2nc(C(C)C)no2)c1C ZINC000027811031 212579233 /nfs/dbraw/zinc/57/92/33/212579233.db2.gz HZWXMTMWFXAKTQ-AWEZNQCLSA-N 0 0 342.468 4.849 50 0 EJAARN CC(=O)c1cccc(OCc2coc(-c3cccc(Cl)c3)n2)c1 ZINC000026777480 212534619 /nfs/dbraw/zinc/53/46/19/212534619.db2.gz IHNKKNFVTAYOIT-UHFFFAOYSA-N 0 0 327.767 4.777 50 0 EJAARN C[C@H]1CCN(C(=O)/C=C\c2ccc(F)cc2)c2ccccc2S1 ZINC000033497255 201074402 /nfs/dbraw/zinc/07/44/02/201074402.db2.gz KCKAIPRBAGGXCT-MSKHEQNASA-N 0 0 327.424 4.756 50 0 EJAARN CC(C)Sc1ccc([C@@H](C)NC(=O)c2ccncc2Cl)cc1 ZINC000073077574 216347306 /nfs/dbraw/zinc/34/73/06/216347306.db2.gz YRDVMDHDYILJHD-GFCCVEGCSA-N 0 0 334.872 4.727 50 0 EJAARN C[C@@H](Cc1cc2ccccc2o1)NC(=O)Nc1ccccc1Cl ZINC000253473564 201188337 /nfs/dbraw/zinc/18/83/37/201188337.db2.gz WKRMKUGVCHJNMM-LBPRGKRZSA-N 0 0 328.799 4.839 50 0 EJAARN COc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1OC(F)F ZINC000025453642 212482422 /nfs/dbraw/zinc/48/24/22/212482422.db2.gz OBUPRDKCYDWNHT-UHFFFAOYSA-N 0 0 342.729 4.594 50 0 EJAARN c1nc(CN[C@@H](c2ccccc2)c2ccccn2)oc1-c1ccccc1 ZINC000025419633 212480184 /nfs/dbraw/zinc/48/01/84/212480184.db2.gz AMRBVXIVHOPJNP-QFIPXVFZSA-N 0 0 341.414 4.616 50 0 EJAARN CC(C)C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000025349593 212475359 /nfs/dbraw/zinc/47/53/59/212475359.db2.gz PMKZRWMLBKBKJR-MRXNPFEDSA-N 0 0 340.854 4.725 50 0 EJAARN Cc1ccc([C@H](NC(=O)Cc2cccs2)c2ccccc2)cc1C ZINC000025281647 212470920 /nfs/dbraw/zinc/47/09/20/212470920.db2.gz OACZZVXSGZBPAY-OAQYLSRUSA-N 0 0 335.472 4.813 50 0 EJAARN O=C(NC1CCC(c2ccccc2)CC1)c1c(F)cccc1Cl ZINC000025097613 212459911 /nfs/dbraw/zinc/45/99/11/212459911.db2.gz OYQRYEKCNNNLFM-UHFFFAOYSA-N 0 0 331.818 4.935 50 0 EJAARN O=C(N[C@@H]1CCCC[C@H]1C(F)(F)F)c1cc(Cl)ccc1Cl ZINC000025047733 212456939 /nfs/dbraw/zinc/45/69/39/212456939.db2.gz FHHKPKHQHZSQQJ-ZYHUDNBSSA-N 0 0 340.172 4.844 50 0 EJAARN Oc1ccc(Br)cc1-c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000013126319 201364641 /nfs/dbraw/zinc/36/46/41/201364641.db2.gz YLNHOUUJLKNPFC-UHFFFAOYSA-N 0 0 349.615 4.865 50 0 EJAARN CCc1ccc(Nc2nc(-c3ccc4c(c3)CC(=O)N4)cs2)cc1 ZINC000025050653 212456595 /nfs/dbraw/zinc/45/65/95/212456595.db2.gz UXVZOGDNMXLYTN-UHFFFAOYSA-N 0 0 335.432 4.611 50 0 EJAARN CCOc1ccc2c(c1)oc(C)c(Oc1ccccc1OCC)c2=O ZINC000000534489 201358688 /nfs/dbraw/zinc/35/86/88/201358688.db2.gz WPABOHXBQBCPSS-UHFFFAOYSA-N 0 0 340.375 4.691 50 0 EJAARN O=c1cc(Oc2ccc(-c3ccccc3)cc2)nc2ccc(Cl)cn12 ZINC000024985434 212451757 /nfs/dbraw/zinc/45/17/57/212451757.db2.gz FYJDLTACQYFTHE-UHFFFAOYSA-N 0 0 348.789 4.807 50 0 EJAARN O=C(/C=C\c1cccc(Cl)c1)N[C@@H](c1ccco1)c1ccccc1 ZINC000096297716 201375520 /nfs/dbraw/zinc/37/55/20/201375520.db2.gz CYEKOSQFXAVEPZ-ZCPJJFRWSA-N 0 0 337.806 4.852 50 0 EJAARN Cc1cc2c(cc1C(=O)Nc1ccc(C(C)C)cc1)OCCCO2 ZINC000046077879 202563980 /nfs/dbraw/zinc/56/39/80/202563980.db2.gz RBDRPVSTMMPYNG-UHFFFAOYSA-N 0 0 325.408 4.532 50 0 EJAARN COCc1ccccc1NC(=O)N1CCC[C@H]1c1ccccc1Cl ZINC000048078662 202590987 /nfs/dbraw/zinc/59/09/87/202590987.db2.gz ULGPTOZHSHBTNA-SFHVURJKSA-N 0 0 344.842 4.855 50 0 EJAARN Cc1cc(Br)ccc1NC(=O)Nc1cc(F)ccc1F ZINC000051354442 202638980 /nfs/dbraw/zinc/63/89/80/202638980.db2.gz IQPFANRUWTZCPT-UHFFFAOYSA-N 0 0 341.155 4.680 50 0 EJAARN CC(C)c1ccc(CN(C(=O)c2cnc3ccccc3n2)C2CC2)cc1 ZINC000024135469 212410241 /nfs/dbraw/zinc/41/02/41/212410241.db2.gz IKXXRLRBEQNTSU-UHFFFAOYSA-N 0 0 345.446 4.558 50 0 EJAARN Fc1ccc(Oc2ccc(CNc3nc4ccccc4o3)cn2)cc1 ZINC000052409262 202645197 /nfs/dbraw/zinc/64/51/97/202645197.db2.gz XQJLKUBKYTXRAO-UHFFFAOYSA-N 0 0 335.338 4.766 50 0 EJAARN Cc1cc(Br)cc(Cl)c1NC(=O)c1ccoc1Cl ZINC000192279039 239625561 /nfs/dbraw/zinc/62/55/61/239625561.db2.gz NSLADROTDDACFV-UHFFFAOYSA-N 0 0 349.011 4.910 50 0 EJAARN CC(C)c1ccc([C@H](NCc2nc3ccccc3c(=O)[nH]2)C(C)C)cc1 ZINC000023717669 212391920 /nfs/dbraw/zinc/39/19/20/212391920.db2.gz BCYSHSUSHVNVKO-OAQYLSRUSA-N 0 0 349.478 4.533 50 0 EJAARN COC(=O)c1ccoc1CSc1nc(C)c(C)n1C1CCCCC1 ZINC000023355309 212371397 /nfs/dbraw/zinc/37/13/97/212371397.db2.gz LYSDCCTZNYPRCU-UHFFFAOYSA-N 0 0 348.468 4.677 50 0 EJAARN O=C(c1cc(-c2ccccc2)on1)N(Cc1ccco1)C1CCCC1 ZINC000058430167 202767955 /nfs/dbraw/zinc/76/79/55/202767955.db2.gz BRYTZTKKXXTVJH-UHFFFAOYSA-N 0 0 336.391 4.520 50 0 EJAARN COc1ccccc1-c1nc2ccc(-c3ccc4c(c3)OCO4)cc2o1 ZINC000023336504 212369255 /nfs/dbraw/zinc/36/92/55/212369255.db2.gz PQSDJEIMKZGQSO-UHFFFAOYSA-N 0 0 345.354 4.899 50 0 EJAARN Cc1cc(C)nc(SCc2csc(-c3c(F)cccc3F)n2)n1 ZINC000023308211 212368143 /nfs/dbraw/zinc/36/81/43/212368143.db2.gz WJPNOZHLHGLYTR-UHFFFAOYSA-N 0 0 349.431 4.787 50 0 EJAARN COc1ccc(C(=O)N(Cc2ccco2)c2ccc(C)cc2)cc1F ZINC000023298975 212368169 /nfs/dbraw/zinc/36/81/69/212368169.db2.gz PKELNQVQUUUZMA-UHFFFAOYSA-N 0 0 339.366 4.583 50 0 EJAARN Cc1nnc(-c2cccc(-c3cccc(-c4ccn(C)n4)c3)c2)s1 ZINC000023231575 212361920 /nfs/dbraw/zinc/36/19/20/212361920.db2.gz QTYYZADNOBWTJI-UHFFFAOYSA-N 0 0 332.432 4.581 50 0 EJAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000000036010 201425420 /nfs/dbraw/zinc/42/54/20/201425420.db2.gz VHPRNEUNRCHFFZ-UHFFFAOYSA-N 0 0 328.626 4.619 50 0 EJAARN Cc1oc(-c2ccsc2)nc1CN(C)Cc1cccc2cnccc21 ZINC000023192054 212359522 /nfs/dbraw/zinc/35/95/22/212359522.db2.gz BXVJFABUPOKWSG-UHFFFAOYSA-N 0 0 349.459 4.892 50 0 EJAARN Cc1ccc(CNC(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1F ZINC000023174763 212358151 /nfs/dbraw/zinc/35/81/51/212358151.db2.gz QMZDXWPAZGQYPU-CQSZACIVSA-N 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OUZBBKZSLAYOGV-UHFFFAOYSA-N 0 0 331.347 4.582 50 0 EJAARN Brc1ccccc1OCc1csc(-c2ccoc2)n1 ZINC000078565672 217078575 /nfs/dbraw/zinc/07/85/75/217078575.db2.gz UUJNFOMSNPHXME-UHFFFAOYSA-N 0 0 336.210 4.745 50 0 EJAARN Cc1nn(-c2ccccc2Cl)c(Cl)c1CNCc1ccccc1 ZINC000017309827 211964453 /nfs/dbraw/zinc/96/44/53/211964453.db2.gz HTRRFSNCHLEGBL-UHFFFAOYSA-N 0 0 346.261 4.777 50 0 EJAARN CN(C(=O)c1cnc(-c2ccccc2F)s1)C1CCCCCC1 ZINC000078702676 217103889 /nfs/dbraw/zinc/10/38/89/217103889.db2.gz SBBSYMAGGSYXKL-UHFFFAOYSA-N 0 0 332.444 4.744 50 0 EJAARN C[C@H](OC(=O)c1occc1-c1ccccc1)C(=O)c1ccc(F)cc1 ZINC000016537764 211911685 /nfs/dbraw/zinc/91/16/85/211911685.db2.gz MEQYNOVYILMGLY-ZDUSSCGKSA-N 0 0 338.334 4.514 50 0 EJAARN COCc1cccc(N[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c1 ZINC000079301682 217206498 /nfs/dbraw/zinc/20/64/98/217206498.db2.gz PJKGYMRPEZQBJV-ZDUSSCGKSA-N 0 0 341.386 4.504 50 0 EJAARN CCCOc1cc(F)ccc1NC(=O)Cc1c(F)cccc1Cl ZINC000079107133 217195554 /nfs/dbraw/zinc/19/55/54/217195554.db2.gz VLWQZNXXRINIQA-UHFFFAOYSA-N 0 0 339.769 4.588 50 0 EJAARN Cc1ccc([C@H](NC(=O)c2ccccc2Cl)c2cccnc2)cc1 ZINC000015839690 211860770 /nfs/dbraw/zinc/86/07/70/211860770.db2.gz RDMHJOBVKJDOEK-IBGZPJMESA-N 0 0 336.822 4.563 50 0 EJAARN Cc1nc(-c2cccs2)c(CC(=O)NCCC2=CCCCC2)s1 ZINC000015840054 211860620 /nfs/dbraw/zinc/86/06/20/211860620.db2.gz NBJKOBKPLKDDSW-UHFFFAOYSA-N 0 0 346.521 4.729 50 0 EJAARN Cc1oc(-c2ccccc2)nc1CNC(=O)Nc1cc(C)cc(C)c1 ZINC000015774567 211851279 /nfs/dbraw/zinc/85/12/79/211851279.db2.gz KOTGGZZQHRLOEM-UHFFFAOYSA-N 0 0 335.407 4.589 50 0 EJAARN Cc1ccc2[nH]c(-c3sc(=S)n(-c4ccccc4)c3N)nc2c1 ZINC000015684816 211844294 /nfs/dbraw/zinc/84/42/94/211844294.db2.gz LBBANRGLRMEEQN-UHFFFAOYSA-N 0 0 338.461 4.702 50 0 EJAARN O=C(/C=C\c1ccccc1)Nc1ccc(-c2nc3ncccc3o2)cc1 ZINC000015659832 211838279 /nfs/dbraw/zinc/83/82/79/211838279.db2.gz BDYTUPPXYDGEJU-JYRVWZFOSA-N 0 0 341.370 4.542 50 0 EJAARN COc1cc(CCC(=O)Nc2c(C)cc(C)cc2Cl)cc(OC)c1 ZINC000015606413 211833785 /nfs/dbraw/zinc/83/37/85/211833785.db2.gz CTCHIKCKCQSYCE-UHFFFAOYSA-N 0 0 347.842 4.545 50 0 EJAARN Clc1ccc(-c2nc3ccccc3c(NC[C@@H]3CCCO3)n2)cc1 ZINC000000112194 205405898 /nfs/dbraw/zinc/40/58/98/205405898.db2.gz LJVKVWCPLOICDK-HNNXBMFYSA-N 0 0 339.826 4.541 50 0 EJAARN COc1cc2c(cc1OC)[C@H](c1cccc(F)c1)O[C@@H]1CCCC[C@@H]21 ZINC000015024270 211791307 /nfs/dbraw/zinc/79/13/07/211791307.db2.gz XEZFXTLWFUBFTN-KLHJMIIUSA-N 0 0 342.410 4.989 50 0 EJAARN Cc1cccc(C(=O)Nc2cccc(OC(=O)c3cccc(C)c3)c2)c1 ZINC000000452624 205464973 /nfs/dbraw/zinc/46/49/73/205464973.db2.gz HWVYWIZTGYIIHF-UHFFFAOYSA-N 0 0 345.398 4.775 50 0 EJAARN O=C(OCc1cccnc1)c1cc(-c2cccs2)nc2ccccc21 ZINC000015006547 211786812 /nfs/dbraw/zinc/78/68/12/211786812.db2.gz HHTRPTKGUWXAID-UHFFFAOYSA-N 0 0 346.411 4.715 50 0 EJAARN Cc1cc(C)cc(C(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)c1 ZINC000004138184 205691528 /nfs/dbraw/zinc/69/15/28/205691528.db2.gz AMHAUQWDTAIUGQ-UHFFFAOYSA-N 0 0 332.447 4.594 50 0 EJAARN Cc1cnc(NC(=O)c2cc(-c3ccco3)nc3ccccc32)s1 ZINC000014662370 211749817 /nfs/dbraw/zinc/74/98/17/211749817.db2.gz YBHQIBRMKZTQDZ-UHFFFAOYSA-N 0 0 335.388 4.512 50 0 EJAARN COCCn1cc(NC(=O)Nc2ccc(C)cc2C)c2ccccc21 ZINC000005266528 205764263 /nfs/dbraw/zinc/76/42/63/205764263.db2.gz GTUKTUNEEVFPSP-UHFFFAOYSA-N 0 0 337.423 4.549 50 0 EJAARN CSc1cccc2sc(NC(=O)c3ccccc3Cl)nc21 ZINC000005299211 205766209 /nfs/dbraw/zinc/76/62/09/205766209.db2.gz YUZIHYCLLTZGRD-UHFFFAOYSA-N 0 0 334.853 4.924 50 0 EJAARN N=C1NC(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)cc2)S1 ZINC000006882864 205822806 /nfs/dbraw/zinc/82/28/06/205822806.db2.gz JMJWDKZBLSIEHV-NTEUORMPSA-N 0 0 346.864 4.630 50 0 EJAARN O=C(Nc1onc2c1CCCC2)c1cccc(Oc2ccccc2)c1 ZINC000008976605 205885397 /nfs/dbraw/zinc/88/53/97/205885397.db2.gz SALAOZZQXQZSAA-UHFFFAOYSA-N 0 0 334.375 4.598 50 0 EJAARN C[C@@H](NC(=O)Cc1noc2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000014185043 211705287 /nfs/dbraw/zinc/70/52/87/211705287.db2.gz GSBCKCZOQRXZMS-SNVBAGLBSA-N 0 0 349.217 4.555 50 0 EJAARN Cc1oc(-c2cccs2)nc1C[S@@](=O)[C@@H](C)c1ccc(F)cc1 ZINC000084056801 217570446 /nfs/dbraw/zinc/57/04/46/217570446.db2.gz GCEIQOIHQCWCHU-MYODQAERSA-N 0 0 349.452 4.861 50 0 EJAARN CCc1cccc(CC)c1NC(=O)c1ccc(Br)cc1 ZINC000000145136 206208842 /nfs/dbraw/zinc/20/88/42/206208842.db2.gz UKMDKMKGYIFDQB-UHFFFAOYSA-N 0 0 332.241 4.826 50 0 EJAARN CCN(Cc1ccccn1)C(=O)Nc1cc(-c2ccco2)ccc1F ZINC000084333273 217596216 /nfs/dbraw/zinc/59/62/16/217596216.db2.gz PGMJQVMQASCUEH-UHFFFAOYSA-N 0 0 339.370 4.535 50 0 EJAARN Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000000345304 206233666 /nfs/dbraw/zinc/23/36/66/206233666.db2.gz SAYMLKNOCKBPMK-UHFFFAOYSA-N 0 0 339.030 4.857 50 0 EJAARN COc1ccc2[nH]c(SCc3ccc(Br)cc3)nc2c1 ZINC000000348621 206233822 /nfs/dbraw/zinc/23/38/22/206233822.db2.gz LWYPYTJNIOQAJR-UHFFFAOYSA-N 0 0 349.253 4.626 50 0 EJAARN COc1c(Cl)cc(C(=O)Nc2cccc3ncccc32)cc1Cl ZINC000000360439 206236169 /nfs/dbraw/zinc/23/61/69/206236169.db2.gz ALTGCOZKCXUVIU-UHFFFAOYSA-N 0 0 347.201 4.803 50 0 EJAARN CC[C@@H](C(=O)Nc1ccc(Br)cc1C)c1ccccc1 ZINC000000455905 206241736 /nfs/dbraw/zinc/24/17/36/206241736.db2.gz GPCGTSSPNKQHIV-OAHLLOKOSA-N 0 0 332.241 4.890 50 0 EJAARN COc1cccc([C@@H](C)NC(=S)Nc2cccc3ccccc32)c1 ZINC000013932528 211657438 /nfs/dbraw/zinc/65/74/38/211657438.db2.gz IHWBLCAILRXXIL-CQSZACIVSA-N 0 0 336.460 4.896 50 0 EJAARN Clc1ccc(-c2cc3ncc4c(n3n2)-c2ccccc2OC4)cc1 ZINC000013828461 211647057 /nfs/dbraw/zinc/64/70/57/211647057.db2.gz TXGXFKNGQJSICZ-UHFFFAOYSA-N 0 0 333.778 4.609 50 0 EJAARN O=C(Nc1nc2ccccc2s1)N[C@@H]1CCc2c1cccc2Cl ZINC000084603692 217620869 /nfs/dbraw/zinc/62/08/69/217620869.db2.gz HNSNJERSMJVKON-CYBMUJFWSA-N 0 0 343.839 4.759 50 0 EJAARN CC(=O)Nc1ccc(NC(=S)Nc2cccc3ccccc32)cc1 ZINC000013797305 211640829 /nfs/dbraw/zinc/64/08/29/211640829.db2.gz JTUYVPIOZNJEIG-UHFFFAOYSA-N 0 0 335.432 4.607 50 0 EJAARN O=C(Nc1nnc(CC2=CCCCC2)s1)Nc1cccc(Cl)c1 ZINC000013570912 211582430 /nfs/dbraw/zinc/58/24/30/211582430.db2.gz GDJVLAJNNGSDLZ-UHFFFAOYSA-N 0 0 348.859 4.878 50 0 aggregator EJAARN CCc1ccc([C@@H](Nc2cc(Cl)nc(N)n2)c2cccs2)cc1 ZINC000089284798 217782744 /nfs/dbraw/zinc/78/27/44/217782744.db2.gz VCUAEOXTZRWKHJ-MRXNPFEDSA-N 0 0 344.871 4.538 50 0 EJAARN CCn1c(SCc2ccc(C)cc2)nnc1-c1ccc(F)cc1 ZINC000013325474 211545737 /nfs/dbraw/zinc/54/57/37/211545737.db2.gz GZAQFRNPABKQNC-UHFFFAOYSA-N 0 0 327.428 4.705 50 0 EJAARN COc1ccccc1NC(=O)c1sc2cccc(F)c2c1Cl ZINC000013326061 211545668 /nfs/dbraw/zinc/54/56/68/211545668.db2.gz VIVYKTUGKDCRLU-UHFFFAOYSA-N 0 0 335.787 4.955 50 0 EJAARN O=C(c1cccs1)N1N=C(c2ccco2)C[C@@H]1c1ccc(Cl)o1 ZINC000013128640 211525291 /nfs/dbraw/zinc/52/52/91/211525291.db2.gz LLELVOVALAAKGU-LLVKDONJSA-N 0 0 346.795 4.579 50 0 EJAARN O=C(Nc1nc2ccccc2[nH]1)c1sc2cc(F)ccc2c1Cl ZINC000006580366 206517626 /nfs/dbraw/zinc/51/76/26/206517626.db2.gz ICGOJHPCMCSUGM-UHFFFAOYSA-N 0 0 345.786 4.822 50 0 EJAARN CSc1ccc(NC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1 ZINC000013001140 211506216 /nfs/dbraw/zinc/50/62/16/211506216.db2.gz QLWSFRVOMSEXFC-UHFFFAOYSA-N 0 0 340.448 4.720 50 0 EJAARN Cc1c(Cl)cccc1NC(=O)CCc1ncc(-c2ccccc2)o1 ZINC000012997170 211504379 /nfs/dbraw/zinc/50/43/79/211504379.db2.gz CCGINNSHJNIIOQ-UHFFFAOYSA-N 0 0 340.810 4.875 50 0 EJAARN CCOc1ccc(/C=C/C(=O)N2CCc3sccc3[C@@H]2CC)cc1 ZINC000012996784 211504387 /nfs/dbraw/zinc/50/43/87/211504387.db2.gz NHRLWWHYPSTAEV-HKMNZKMDSA-N 0 0 341.476 4.696 50 0 EJAARN Cc1ccc2[nH]c(SCC(=O)c3ccc4ccccc4c3)nc2c1 ZINC000012950721 211493050 /nfs/dbraw/zinc/49/30/50/211493050.db2.gz OWUJPJLNYPQPSV-UHFFFAOYSA-N 0 0 332.428 5.000 50 0 EJAARN CC(=O)Nc1ccc(SCC(=O)c2c(C)c(C)cc(C)c2C)cc1 ZINC000012787577 211456475 /nfs/dbraw/zinc/45/64/75/211456475.db2.gz PMVDJWUVZIAPHE-UHFFFAOYSA-N 0 0 341.476 4.854 50 0 EJAARN O=C(Nc1ccccc1Oc1cccc(F)c1)[C@H]1C[C@@H]1c1cccnc1 ZINC000089814114 217849947 /nfs/dbraw/zinc/84/99/47/217849947.db2.gz RTXDZRIFJNRCSE-MSOLQXFVSA-N 0 0 348.377 4.755 50 0 EJAARN Cc1cc(/C=C/C(=O)Nc2ccc3oc(C)nc3c2)c(C)n1C1CC1 ZINC000012882559 211474654 /nfs/dbraw/zinc/47/46/54/211474654.db2.gz LRDLDWSNSSRADU-RUDMXATFSA-N 0 0 335.407 4.541 50 0 EJAARN CNc1ccccc1C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000012866623 211473311 /nfs/dbraw/zinc/47/33/11/211473311.db2.gz AFMKABRPTJPHSQ-UHFFFAOYSA-N 0 0 329.614 4.941 50 0 EJAARN COc1ccc(-c2cc3ncnc(Oc4cccnc4)c3s2)cc1 ZINC000012821936 211467120 /nfs/dbraw/zinc/46/71/20/211467120.db2.gz WDHJHTITLGLDOI-UHFFFAOYSA-N 0 0 335.388 4.554 50 0 EJAARN CC[C@@H](NC(=O)Cc1coc2cc(C)ccc12)c1ccc(OC)cc1 ZINC000012806293 211461786 /nfs/dbraw/zinc/46/17/86/211461786.db2.gz GUHJGFUAWDXFOB-LJQANCHMSA-N 0 0 337.419 4.560 50 0 EJAARN CCN(CC)C(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1 ZINC000012802176 211460589 /nfs/dbraw/zinc/46/05/89/211460589.db2.gz KTHLEIDLWNULCL-UHFFFAOYSA-N 0 0 347.871 4.531 50 0 EJAARN Cc1ccc2c(CC(=O)N3CCC[C@@H]3c3cccs3)coc2c1 ZINC000012568093 211413436 /nfs/dbraw/zinc/41/34/36/211413436.db2.gz YSQLULFJIYZOJC-MRXNPFEDSA-N 0 0 325.433 4.709 50 0 EJAARN CSc1cccc(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)c1 ZINC000012564917 211411742 /nfs/dbraw/zinc/41/17/42/211411742.db2.gz CULAYKFEVKHLMO-UHFFFAOYSA-N 0 0 341.461 4.509 50 0 EJAARN CCOc1cc2c(cc1/C=C/c1ccc3cccc(O)c3n1)O[C@H](C)C2 ZINC000012549217 211406826 /nfs/dbraw/zinc/40/68/26/211406826.db2.gz WYEUIHYRRUSHTG-QSYFUGGGSA-N 0 0 347.414 4.833 50 0 EJAARN O=C(Oc1ccccc1-c1ccccc1)[C@H]1Cc2ccccc2S1 ZINC000089851216 217861527 /nfs/dbraw/zinc/86/15/27/217861527.db2.gz QJNZUZUMMPKFBL-HXUWFJFHSA-N 0 0 332.424 4.976 50 0 EJAARN Nc1nc(CSc2c(Cl)cccc2Cl)nc2ccccc12 ZINC000012595419 211419514 /nfs/dbraw/zinc/41/95/14/211419514.db2.gz OPDULHLBBNBJNO-UHFFFAOYSA-N 0 0 336.247 4.811 50 0 EJAARN C[C@@H](c1ccco1)N(C(=O)c1cc2ccccc2o1)c1ccccn1 ZINC000012527940 211399131 /nfs/dbraw/zinc/39/91/31/211399131.db2.gz NQYPICDORLAIIK-AWEZNQCLSA-N 0 0 332.359 4.829 50 0 EJAARN Cc1cccn2c(NC(=O)c3ccsc3)c(-c3ccccc3)nc12 ZINC000012520760 211397382 /nfs/dbraw/zinc/39/73/82/211397382.db2.gz OZIYGGOMZTUMGL-UHFFFAOYSA-N 0 0 333.416 4.624 50 0 EJAARN Cc1cccnc1NC(=O)Cn1c(-c2ccccc2)cc2ccccc21 ZINC000012514836 211395827 /nfs/dbraw/zinc/39/58/27/211395827.db2.gz MYCZVAWLZDVUPE-UHFFFAOYSA-N 0 0 341.414 4.650 50 0 EJAARN Brc1cnc2[nH]c(SC/C=C/c3ccccc3)nc2c1 ZINC000012508135 211394853 /nfs/dbraw/zinc/39/48/53/211394853.db2.gz AEIVAAMPXAJSBF-QPJJXVBHSA-N 0 0 346.253 4.526 50 0 EJAARN C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(F)(F)F ZINC000012380919 211361497 /nfs/dbraw/zinc/36/14/97/211361497.db2.gz FGEKDDAHXLCDKZ-SNVBAGLBSA-N 0 0 343.732 4.765 50 0 EJAARN CC[C@@H](NC1=CC(=O)OC12CCCCC2)C12CC3CC(CC(C3)C1)C2 ZINC000012418789 211374794 /nfs/dbraw/zinc/37/47/94/211374794.db2.gz SWXJXPQCUJPXRU-IGDKPHCXSA-N 0 0 343.511 4.715 50 0 EJAARN CCCCNC(=O)c1cccc(NC(=O)Nc2cccc(Cl)c2)c1 ZINC000012404388 211369400 /nfs/dbraw/zinc/36/94/00/211369400.db2.gz CESIGVOCTVJZGQ-UHFFFAOYSA-N 0 0 345.830 4.514 50 0 EJAARN Cc1ccsc1-c1nnc2sc(-c3ccccc3Cl)nn21 ZINC000012389196 211365351 /nfs/dbraw/zinc/36/53/51/211365351.db2.gz BMSFCZPRNOKEJM-UHFFFAOYSA-N 0 0 332.841 4.543 50 0 EJAARN C[C@@H](NC(=O)c1sc2cc(Cl)ccc2c1Cl)[C@H]1CCCO1 ZINC000012383295 211363640 /nfs/dbraw/zinc/36/36/40/211363640.db2.gz AWBAUQCKEMTDQV-LDYMZIIASA-N 0 0 344.263 4.505 50 0 EJAARN CC(C)(C)C(=O)Nc1cccc(NC(=O)Nc2ccc(Cl)cc2)c1 ZINC000012381330 211362030 /nfs/dbraw/zinc/36/20/30/211362030.db2.gz BJYRVIURVSKVQI-UHFFFAOYSA-N 0 0 345.830 4.969 50 0 EJAARN Clc1cccc(-c2nc(-c3ccc(-c4ccno4)s3)no2)c1 ZINC000012368975 211356713 /nfs/dbraw/zinc/35/67/13/211356713.db2.gz CDYMUNICCBRYSL-UHFFFAOYSA-N 0 0 329.768 4.774 50 0 EJAARN CC(C)(C)C(=O)NC[C@@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1 ZINC000012245622 211330292 /nfs/dbraw/zinc/33/02/92/211330292.db2.gz PNDWUCYPYBHZAB-AWEZNQCLSA-N 0 0 349.883 4.534 50 0 EJAARN CCCC(=O)N1CCC[C@H](c2n[nH]cc2-c2cccc3ccccc32)C1 ZINC000012242265 211329589 /nfs/dbraw/zinc/32/95/89/211329589.db2.gz MPSQCFQLNOTMJI-KRWDZBQOSA-N 0 0 347.462 4.736 50 0 EJAARN O=C(Nc1nc(CSCc2ccc(F)cc2)cs1)c1ccco1 ZINC000012230233 211325744 /nfs/dbraw/zinc/32/57/44/211325744.db2.gz XGMRDKQRHDOTOJ-UHFFFAOYSA-N 0 0 348.424 4.561 50 0 EJAARN O=C(/C=C/c1cccs1)N(CCc1cccs1)Cc1ccoc1 ZINC000090612305 217944902 /nfs/dbraw/zinc/94/49/02/217944902.db2.gz LPGZCAHOXBKDIF-AATRIKPKSA-N 0 0 343.473 4.687 50 0 EJAARN CCC[C@H](C(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccccc1 ZINC000012216920 211322823 /nfs/dbraw/zinc/32/28/23/211322823.db2.gz BLMVTSOZSMSPFP-IBGZPJMESA-N 0 0 336.435 4.558 50 0 EJAARN CC(C)(C)CC(=O)Nc1ccc(OCCOc2ccccc2)cc1 ZINC000012137889 211301464 /nfs/dbraw/zinc/30/14/64/211301464.db2.gz IYXKXUKLNUGVKZ-UHFFFAOYSA-N 0 0 327.424 4.519 50 0 EJAARN CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1nccs1 ZINC000012137766 211300947 /nfs/dbraw/zinc/30/09/47/211300947.db2.gz UOZQFPAZRFUMFA-KRWDZBQOSA-N 0 0 338.432 4.606 50 0 EJAARN CCC[C@H](O)c1nc2ccccc2n1Cc1c(F)cccc1Cl ZINC000012062239 211284946 /nfs/dbraw/zinc/28/49/46/211284946.db2.gz DNWCNFZWDYKZFR-KRWDZBQOSA-N 0 0 332.806 4.711 50 0 EJAARN Cc1nc2ccc(Cl)cc2cc1C(=O)Nc1ccc(F)c(F)c1 ZINC000011772884 211246501 /nfs/dbraw/zinc/24/65/01/211246501.db2.gz SMHWVJIPTFSRFV-UHFFFAOYSA-N 0 0 332.737 4.727 50 0 EJAARN Cc1cccnc1[C@@H](C)n1cc(-c2ccccc2-c2ccco2)nn1 ZINC000091914814 218088252 /nfs/dbraw/zinc/08/82/52/218088252.db2.gz SWJJECGTMVIQBB-OAHLLOKOSA-N 0 0 330.391 4.518 50 0 EJAARN CSc1cccc(CN(C)C(=O)c2ccc([C@H]3CCCO3)s2)c1 ZINC000091914714 218088301 /nfs/dbraw/zinc/08/83/01/218088301.db2.gz BDIFJSSTJOXYJZ-OAHLLOKOSA-N 0 0 347.505 4.594 50 0 EJAARN COc1ccccc1Oc1ccc(NC(=O)COc2ccccc2)cc1 ZINC000011516325 211219424 /nfs/dbraw/zinc/21/94/24/211219424.db2.gz CHDUJPKDMCNNEA-UHFFFAOYSA-N 0 0 349.386 4.505 50 0 EJAARN Cc1cc(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)on1 ZINC000011512938 211219188 /nfs/dbraw/zinc/21/91/88/211219188.db2.gz IRTQBYIWIPTDJH-UHFFFAOYSA-N 0 0 328.755 4.681 50 0 EJAARN Cc1ccc(-c2ccsc2C(=O)N2CCc3sccc3C2)cc1 ZINC000010924356 211196503 /nfs/dbraw/zinc/19/65/03/211196503.db2.gz JZQRXDWXSVBDNS-UHFFFAOYSA-N 0 0 339.485 4.984 50 0 EJAARN O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cccc(Cl)c1Cl ZINC000010925192 211195866 /nfs/dbraw/zinc/19/58/66/211195866.db2.gz DGYHYWNMMSCXMO-UHFFFAOYSA-N 0 0 349.217 4.594 50 0 EJAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)[C@@H]1CC=CCC1 ZINC000010691243 211185422 /nfs/dbraw/zinc/18/54/22/211185422.db2.gz IGYIAWKLXSLBBW-QUCCMNQESA-N 0 0 344.458 4.772 50 0 EJAARN O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 ZINC000010922537 211194247 /nfs/dbraw/zinc/19/42/47/211194247.db2.gz LSNNKYMNZLBJKO-DUXPYHPUSA-N 0 0 338.259 4.653 50 0 EJAARN CCCCC(=O)Nc1nc(-c2cc3cc(OC)ccc3o2)cs1 ZINC000010883111 211193036 /nfs/dbraw/zinc/19/30/36/211193036.db2.gz QJYHBFVPYFKMMB-UHFFFAOYSA-N 0 0 330.409 4.694 50 0 EJAARN O=C(c1cccs1)N(Cc1ccco1)c1nc2ccccc2s1 ZINC000010526942 211178595 /nfs/dbraw/zinc/17/85/95/211178595.db2.gz DANDECALLONGLT-UHFFFAOYSA-N 0 0 340.429 4.798 50 0 EJAARN COc1cc(C(C)(C)C)nc2c(-c3ccccc3Cl)c(C)nn21 ZINC000010493538 211176971 /nfs/dbraw/zinc/17/69/71/211176971.db2.gz MDRNAUOHGDSYAU-UHFFFAOYSA-N 0 0 329.831 4.664 50 0 EJAARN Cc1ccc(OCc2nnc(SCc3ccccc3C)o2)cc1 ZINC000010475563 211176143 /nfs/dbraw/zinc/17/61/43/211176143.db2.gz FJAPQHXGECEISF-UHFFFAOYSA-N 0 0 326.421 4.558 50 0 EJAARN COc1ccc(-c2ccc(SCc3ccccc3F)nn2)cc1 ZINC000010452413 211174156 /nfs/dbraw/zinc/17/41/56/211174156.db2.gz NTGFSEYTGLMKBT-UHFFFAOYSA-N 0 0 326.396 4.584 50 0 EJAARN C[C@@H](NC(=O)N[C@@H](C)c1cc2ccccc2o1)c1ccc(F)cc1F ZINC000010281414 211159732 /nfs/dbraw/zinc/15/97/32/211159732.db2.gz QYYHCCIPPQWQEF-NEPJUHHUSA-N 0 0 344.361 4.832 50 0 EJAARN Cc1ccc(Nc2nc(C)c3c(n2)C[C@@H](c2cccs2)CC3=O)cc1 ZINC000010156625 211151543 /nfs/dbraw/zinc/15/15/43/211151543.db2.gz ADFFMSMASLKBGA-CQSZACIVSA-N 0 0 349.459 4.811 50 0 EJAARN O=C(Nc1cccc(Cl)c1)N(C1=NCCC1)c1ccc(F)cc1 ZINC000010165988 211151339 /nfs/dbraw/zinc/15/13/39/211151339.db2.gz QMRDIAMDUZITMI-UHFFFAOYSA-N 0 0 331.778 4.710 50 0 EJAARN Cc1nc(Nc2ccc(F)cc2)nc2c1C(=O)C[C@@H](c1ccccc1)C2 ZINC000010156641 211151161 /nfs/dbraw/zinc/15/11/61/211151161.db2.gz SYWTXKMQFSADLT-HNNXBMFYSA-N 0 0 347.393 4.580 50 0 EJAARN Cc1nc(Nc2ccccc2)nc2c1C(=O)C[C@H](c1ccc(F)cc1)C2 ZINC000010156540 211151198 /nfs/dbraw/zinc/15/11/98/211151198.db2.gz FLXBLMAAODAIGM-OAHLLOKOSA-N 0 0 347.393 4.580 50 0 EJAARN Cc1nc2ccc(Cl)cc2cc1C(=O)N[C@H](C)c1cccs1 ZINC000010085640 211146792 /nfs/dbraw/zinc/14/67/92/211146792.db2.gz LHTLYKCYQAOERX-LLVKDONJSA-N 0 0 330.840 4.749 50 0 EJAARN O=C(Nc1ccccc1OC(F)(F)F)c1c(F)cccc1Cl ZINC000010030316 211143028 /nfs/dbraw/zinc/14/30/28/211143028.db2.gz UQHMFGHHQWDFSA-UHFFFAOYSA-N 0 0 333.668 4.630 50 0 EJAARN Oc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2cccs2)c1 ZINC000010215378 211153471 /nfs/dbraw/zinc/15/34/71/211153471.db2.gz OVPLERFNBCIBAQ-XLIONFOSSA-N 0 0 348.427 4.696 50 0 EJAARN CC(=O)Nc1ccccc1OCc1coc(-c2ccc(Cl)cc2)n1 ZINC000009987250 211138726 /nfs/dbraw/zinc/13/87/26/211138726.db2.gz RVEDQTDPKDQFKW-UHFFFAOYSA-N 0 0 342.782 4.532 50 0 EJAARN Cc1cc(C)cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000009996094 211138675 /nfs/dbraw/zinc/13/86/75/211138675.db2.gz SXQMCBLHDJWQKQ-QGZVFWFLSA-N 0 0 336.460 4.890 50 0 EJAARN CC(C)Nc1nnc(SCc2csc(-c3ccccc3)n2)s1 ZINC000009921463 211133628 /nfs/dbraw/zinc/13/36/28/211133628.db2.gz GTXYDSJVHGXXFZ-UHFFFAOYSA-N 0 0 348.522 4.774 50 0 EJAARN Cc1ccc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1F ZINC000009909687 211131973 /nfs/dbraw/zinc/13/19/73/211131973.db2.gz PBVJGHOYBVHNSI-UHFFFAOYSA-N 0 0 348.349 4.788 50 0 EJAARN CC[C@@H](C)c1ccc([C@@H](NC(=O)NCc2ccccn2)C(C)C)cc1 ZINC000009794761 211124640 /nfs/dbraw/zinc/12/46/40/211124640.db2.gz WSKGJHIHQFFYOU-UZLBHIALSA-N 0 0 339.483 4.792 50 0 EJAARN COc1ccccc1CNC(=O)N[C@H](c1ccc(Cl)cc1)C(C)C ZINC000009710882 211117943 /nfs/dbraw/zinc/11/79/43/211117943.db2.gz BCKDJYBLZBCQRC-SFHVURJKSA-N 0 0 346.858 4.545 50 0 EJAARN COc1ccccc1CNC(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000009710883 211117608 /nfs/dbraw/zinc/11/76/08/211117608.db2.gz BCKDJYBLZBCQRC-GOSISDBHSA-N 0 0 346.858 4.545 50 0 EJAARN O=C(Nc1ccc2oc(-c3ccccc3)cc(=O)c2c1)c1ccccc1 ZINC000009659961 211111822 /nfs/dbraw/zinc/11/18/22/211111822.db2.gz TZFYYVWATSKKBW-UHFFFAOYSA-N 0 0 341.366 4.712 50 0 biogenic EJAARN CCOc1ccc([C@@H]2CCCN2C(=O)c2cc3ccccc3o2)cc1 ZINC000009596556 211107945 /nfs/dbraw/zinc/10/79/45/211107945.db2.gz MHVLHEZALBTKGC-SFHVURJKSA-N 0 0 335.403 4.809 50 0 EJAARN Cc1cccc(-c2nc3nc(C)cc(Nc4ccc(C)c(F)c4)n3n2)c1 ZINC000009607553 211107108 /nfs/dbraw/zinc/10/71/08/211107108.db2.gz ZRYQEPWOCLNESK-UHFFFAOYSA-N 0 0 347.397 4.599 50 0 EJAARN Cc1cccc(OCC(=O)N(Cc2ccco2)c2ccccc2)c1C ZINC000009501564 211092994 /nfs/dbraw/zinc/09/29/94/211092994.db2.gz TXPAYQUZIIVSAJ-UHFFFAOYSA-N 0 0 335.403 4.509 50 0 EJAARN COc1ccc(-c2ocnc2C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000009527243 211097342 /nfs/dbraw/zinc/09/73/42/211097342.db2.gz JJIPBZVKJYMQQP-UHFFFAOYSA-N 0 0 342.782 4.564 50 0 EJAARN COc1cccc(-c2ocnc2C(=O)Nc2ccc(Cl)cc2C)c1 ZINC000009527304 211097131 /nfs/dbraw/zinc/09/71/31/211097131.db2.gz LKXFSHXKKRMIHA-UHFFFAOYSA-N 0 0 342.782 4.564 50 0 EJAARN O=C(NCc1cccs1)c1cc2c(s1)-c1ccsc1CC2 ZINC000009527198 211096786 /nfs/dbraw/zinc/09/67/86/211096786.db2.gz LRKHBSDRWYWFEH-UHFFFAOYSA-N 0 0 331.487 4.567 50 0 EJAARN Cc1cc2c(s1)CCc1cc(C(=O)NC3CCCCC3)sc1-2 ZINC000009527216 211096326 /nfs/dbraw/zinc/09/63/26/211096326.db2.gz HALTZDGQAKEKGB-UHFFFAOYSA-N 0 0 331.506 4.946 50 0 EJAARN COc1cccc(C2=NN(c3nc(C)cs3)[C@@H](c3ccccc3)C2)c1 ZINC000009486512 211091228 /nfs/dbraw/zinc/09/12/28/211091228.db2.gz SHMIRVJWSGJZPE-LJQANCHMSA-N 0 0 349.459 4.816 50 0 EJAARN COc1ccccc1-c1noc(CN(C)c2ccc3ccccc3c2)n1 ZINC000009377405 211078220 /nfs/dbraw/zinc/07/82/20/211078220.db2.gz CJJHKOWEQDHZCE-UHFFFAOYSA-N 0 0 345.402 4.535 50 0 EJAARN CCCCC(=O)Nc1c2ccccc2oc1C(=O)N(CCC)CCC ZINC000009251311 211057833 /nfs/dbraw/zinc/05/78/33/211057833.db2.gz JXAMQEAWFPAWRE-UHFFFAOYSA-N 0 0 344.455 4.824 50 0 EJAARN CC(C)CC(=O)Nc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000009259229 211059094 /nfs/dbraw/zinc/05/90/94/211059094.db2.gz XLRZMZCHVIYZMU-UHFFFAOYSA-N 0 0 344.842 4.506 50 0 EJAARN Cc1[nH]nc(-c2ccc(O)c(C)c2O)c1Oc1ccc(Cl)cc1 ZINC000009242444 211058114 /nfs/dbraw/zinc/05/81/14/211058114.db2.gz WZOOJTKGSSHTDK-UHFFFAOYSA-N 0 0 330.771 4.550 50 0 EJAARN CCC(=O)Nc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000009230937 211056654 /nfs/dbraw/zinc/05/66/54/211056654.db2.gz CSZPNHYGCGZQGM-UHFFFAOYSA-N 0 0 337.206 4.594 50 0 EJAARN Cc1cccc(Nc2cc(C)nc3nc(-c4ccc(Cl)cc4)nn32)c1 ZINC000009185316 211048789 /nfs/dbraw/zinc/04/87/89/211048789.db2.gz PIGYIOLRPWEYFJ-UHFFFAOYSA-N 0 0 349.825 4.805 50 0 EJAARN FC(F)(Cl)Oc1c(Cl)cc(Br)cc1Cl ZINC000095215471 218282599 /nfs/dbraw/zinc/28/25/99/218282599.db2.gz PZDCGMWMFNLYFD-UHFFFAOYSA-N 0 0 326.351 4.924 50 0 EJAARN Fc1cc(Br)cc(Cl)c1OC(Cl)(Cl)Cl ZINC000095215397 218282890 /nfs/dbraw/zinc/28/28/90/218282890.db2.gz OYSDCBNZXHVOEG-UHFFFAOYSA-N 0 0 342.806 4.948 50 0 EJAARN O=C(c1cnc(Cl)c(Cl)c1)N(Cc1ccco1)C1CCCC1 ZINC000095349418 218283885 /nfs/dbraw/zinc/28/38/85/218283885.db2.gz LPSJKSMOBMYJKW-UHFFFAOYSA-N 0 0 339.222 4.566 50 0 EJAARN C[C@@H](NC(=S)N1CCCSc2ccccc21)c1ccccc1 ZINC000095350818 218284376 /nfs/dbraw/zinc/28/43/76/218284376.db2.gz WPKHZCBTXMTUAT-CQSZACIVSA-N 0 0 328.506 4.625 50 0 EJAARN O=C(CSc1ccccn1)c1ccc([C@@H]2CC2(Cl)Cl)cc1 ZINC000009146281 211044384 /nfs/dbraw/zinc/04/43/84/211044384.db2.gz MAPYXMJKLBFWNC-ZDUSSCGKSA-N 0 0 338.259 4.718 50 0 EJAARN O=C(Nc1nccs1)c1csc2c1CC[C@@H](c1ccccc1)C2 ZINC000009111987 211040633 /nfs/dbraw/zinc/04/06/33/211040633.db2.gz SLRYDKBTXZTQRU-CYBMUJFWSA-N 0 0 340.473 4.729 50 0 EJAARN COc1ccc(-c2nc(-c3ccc(OC)c(OC)c3)sc2C)cc1 ZINC000009053080 211034423 /nfs/dbraw/zinc/03/44/23/211034423.db2.gz OMGKPEUDLSLLOZ-UHFFFAOYSA-N 0 0 341.432 4.811 50 0 EJAARN Fc1ccc(Nc2nc(-c3ccncc3)nc3ccccc32)cc1F ZINC000009041524 211033237 /nfs/dbraw/zinc/03/32/37/211033237.db2.gz LBPYNNJXARHGAG-UHFFFAOYSA-N 0 0 334.329 4.714 50 0 EJAARN O=C(NCc1cc2ccccc2o1)c1cc(Cl)cc2cccnc21 ZINC000095364809 218298289 /nfs/dbraw/zinc/29/82/89/218298289.db2.gz CCBAICDUBHVYGY-UHFFFAOYSA-N 0 0 336.778 4.564 50 0 EJAARN CCCCC(=O)Nc1ccc(-c2nc3ncccc3o2)c(Cl)c1 ZINC000008993081 211028776 /nfs/dbraw/zinc/02/87/76/211028776.db2.gz GLFVUTPIIITVJZ-UHFFFAOYSA-N 0 0 329.787 4.672 50 0 EJAARN CCC1=Nc2ccccc2N=C(NC(C)=O)[C@@H]1c1ccc(Cl)cc1 ZINC000008991052 211028428 /nfs/dbraw/zinc/02/84/28/211028428.db2.gz TZDJLYXSOYRVOS-GOSISDBHSA-N 0 0 339.826 4.786 50 0 EJAARN Cc1ccsc1CN(C[C@@H]1CCCO1)C(=O)c1ccc(Cl)cc1 ZINC000008869402 211014020 /nfs/dbraw/zinc/01/40/20/211014020.db2.gz HWQCCGSHXQZBHH-INIZCTEOSA-N 0 0 349.883 4.531 50 0 EJAARN O=c1nc(-c2cccc3ccccc32)[nH]c2sc3c(c21)CCCC3 ZINC000008856830 211012757 /nfs/dbraw/zinc/01/27/57/211012757.db2.gz FBBOGUZPPPXIFM-UHFFFAOYSA-N 0 0 332.428 4.684 50 0 EJAARN Cc1nc(-c2cccc(NC(=O)c3cc4c(s3)CCC4)c2)cs1 ZINC000008777424 211004589 /nfs/dbraw/zinc/00/45/89/211004589.db2.gz PSQDWVZVTCANLZ-UHFFFAOYSA-N 0 0 340.473 4.921 50 0 EJAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccccc1F ZINC000008762350 211000482 /nfs/dbraw/zinc/00/04/82/211000482.db2.gz TUGCQQZKHAMRDR-UHFFFAOYSA-N 0 0 344.773 4.705 50 0 EJAARN CCCCc1nnn(-c2nc(C)cc(-c3ccccc3)n2)c1CCCC ZINC000008781850 211006089 /nfs/dbraw/zinc/00/60/89/211006089.db2.gz FXJDJGYMKGXFDO-UHFFFAOYSA-N 0 0 349.482 4.718 50 0 EJAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccccc1 ZINC000008734531 210994369 /nfs/dbraw/zinc/99/43/69/210994369.db2.gz SGVGOENQLRPDMR-UHFFFAOYSA-N 0 0 326.783 4.566 50 0 EJAARN CCc1nc(CNc2ccccc2NC(=O)c2cccs2)cs1 ZINC000095409873 218346665 /nfs/dbraw/zinc/34/66/65/218346665.db2.gz HCUDBXCRNRAFLV-UHFFFAOYSA-N 0 0 343.477 4.631 50 0 EJAARN CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1Br ZINC000008723210 210990448 /nfs/dbraw/zinc/99/04/48/210990448.db2.gz VUBORGLFESYIHI-INIZCTEOSA-N 0 0 348.240 4.554 50 0 EJAARN C[C@H](Nc1ncnc2c1cnn2-c1cccc(Cl)c1)c1ccccc1 ZINC000008583053 210968133 /nfs/dbraw/zinc/96/81/33/210968133.db2.gz QTLPEXDDJSVWCZ-ZDUSSCGKSA-N 0 0 349.825 4.642 50 0 EJAARN Cc1nnc([C@H](C)SCc2csc(-c3ccc(C)cc3)n2)o1 ZINC000095412875 218350650 /nfs/dbraw/zinc/35/06/50/218350650.db2.gz VCVPXCKJGFJGCY-NSHDSACASA-N 0 0 331.466 4.804 50 0 EJAARN CCOc1ccc2ccccc2c1C(=O)Nc1ccc(N(C)C)cc1 ZINC000008382819 210944401 /nfs/dbraw/zinc/94/44/01/210944401.db2.gz FDTKNMMZVHYETH-UHFFFAOYSA-N 0 0 334.419 4.557 50 0 EJAARN COC(=O)Nc1cccc(NCc2cnc(-c3ccsc3)s2)c1 ZINC000095428564 218370849 /nfs/dbraw/zinc/37/08/49/218370849.db2.gz RYLGWKBEZWEDEM-UHFFFAOYSA-N 0 0 345.449 4.662 50 0 EJAARN O=C(CSc1nnc(C2CC2)n1C1CC1)c1cccc2ccccc21 ZINC000008428568 210952481 /nfs/dbraw/zinc/95/24/81/210952481.db2.gz PNEKYYHZQHZEGE-UHFFFAOYSA-N 0 0 349.459 4.619 50 0 EJAARN CCc1cccnc1NCc1csc(COc2ccc(C)cc2)n1 ZINC000095434275 218376853 /nfs/dbraw/zinc/37/68/53/218376853.db2.gz LYWQRQMGFJWWPF-UHFFFAOYSA-N 0 0 339.464 4.600 50 0 EJAARN Cc1cc(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c(C)o1 ZINC000008342708 210939757 /nfs/dbraw/zinc/93/97/57/210939757.db2.gz ZUMNHHSVLJMNST-UHFFFAOYSA-N 0 0 329.783 4.740 50 0 EJAARN O=C(COc1ccccc1)Nc1ccc2nc(-c3ccccc3)oc2c1 ZINC000008190248 210909911 /nfs/dbraw/zinc/90/99/11/210909911.db2.gz AXPDFGPOWKRTPT-UHFFFAOYSA-N 0 0 344.370 4.512 50 0 EJAARN CC(C)C[C@@H](O)C1CCN(c2ccc3cccc(Cl)c3n2)CC1 ZINC000095502667 218416484 /nfs/dbraw/zinc/41/64/84/218416484.db2.gz CXGVCZWCAWJSAK-QGZVFWFLSA-N 0 0 332.875 4.512 50 0 EJAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)/C=C/c1cccs1 ZINC000008131635 210898729 /nfs/dbraw/zinc/89/87/29/210898729.db2.gz KUXQKUXYNJDEMQ-VMPCVLLUSA-N 0 0 328.462 4.591 50 0 EJAARN O=C(c1cccc(F)c1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000008115158 210895818 /nfs/dbraw/zinc/89/58/18/210895818.db2.gz HRBXMPDTGHHFOS-IBGZPJMESA-N 0 0 337.419 4.675 50 0 EJAARN COc1cc(C(=O)NC2CCCCCC2)cc(Cl)c1OC(C)C ZINC000008039476 210887060 /nfs/dbraw/zinc/88/70/60/210887060.db2.gz MGRRUICXFHLDGB-UHFFFAOYSA-N 0 0 339.863 4.588 50 0 EJAARN CC[C@@H](NC(=O)CCc1ccccc1)c1ccc(Br)cc1 ZINC000008038769 210886812 /nfs/dbraw/zinc/88/68/12/210886812.db2.gz BXBHFNMVWBPDOE-QGZVFWFLSA-N 0 0 346.268 4.649 50 0 EJAARN CC(=O)c1sc(N(C(=O)c2ccccc2)c2ccccc2)nc1C ZINC000095921817 218450206 /nfs/dbraw/zinc/45/02/06/218450206.db2.gz PLHWKZQNLSXXBB-UHFFFAOYSA-N 0 0 336.416 4.633 50 0 EJAARN O=C(Oc1ccccc1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000007987947 210876353 /nfs/dbraw/zinc/87/63/53/210876353.db2.gz WFAJDZMVRDYIGS-AWEZNQCLSA-N 0 0 338.432 4.675 50 0 EJAARN O=C(c1cccc(Oc2ccccc2)c1)N(Cc1cccnc1)C1CC1 ZINC000007909720 210862889 /nfs/dbraw/zinc/86/28/89/210862889.db2.gz FJERPFAQPBJGQU-UHFFFAOYSA-N 0 0 344.414 4.679 50 0 EJAARN Cc1sc(NC(=O)Cc2cccs2)nc1-c1ccc(F)cc1 ZINC000007967302 210871027 /nfs/dbraw/zinc/87/10/27/210871027.db2.gz OPUYTHHDDJQJAO-UHFFFAOYSA-N 0 0 332.425 4.500 50 0 EJAARN Cc1occc1C(=O)OCc1csc(-c2ccc(Cl)cc2)n1 ZINC000007850584 210856821 /nfs/dbraw/zinc/85/68/21/210856821.db2.gz DKCJYBQBGQJIBV-UHFFFAOYSA-N 0 0 333.796 4.722 50 0 EJAARN Cc1nc2c(s1)[C@H](NCc1coc(-c3ccc(C)cc3)n1)CCC2 ZINC000095968793 218473576 /nfs/dbraw/zinc/47/35/76/218473576.db2.gz AOUHBIJFDFXRNE-MRXNPFEDSA-N 0 0 339.464 4.582 50 0 EJAARN CSc1ccc(CN(C)c2nc3cc(C)nn3c3ccccc32)cc1 ZINC000007737997 210841259 /nfs/dbraw/zinc/84/12/59/210841259.db2.gz WADVWGLZVGWKFU-UHFFFAOYSA-N 0 0 348.475 4.549 50 0 EJAARN CCN(CC)C(=O)c1ccc(NC(=O)c2cccc3ccccc32)cc1 ZINC000007408474 210797634 /nfs/dbraw/zinc/79/76/34/210797634.db2.gz KYTUHYQSHMEQAV-UHFFFAOYSA-N 0 0 346.430 4.574 50 0 EJAARN CN(Cc1ccc(F)cc1)C(=O)c1cccc(OCc2ccccc2)c1 ZINC000006940368 210748174 /nfs/dbraw/zinc/74/81/74/210748174.db2.gz URIJDJJBECYGSA-UHFFFAOYSA-N 0 0 349.405 4.677 50 0 EJAARN O=C(N[C@H]1CCCc2c3cc(F)ccc3[nH]c21)c1ccc2cc[nH]c2c1 ZINC000096115854 218610628 /nfs/dbraw/zinc/61/06/28/218610628.db2.gz KDYUFMDRKVINLU-SFHVURJKSA-N 0 0 347.393 4.596 50 0 biogenic EJAARN CCCN(Cc1cccs1)C(=O)Nc1cc(Cl)ccc1OC ZINC000006791136 210713931 /nfs/dbraw/zinc/71/39/31/210713931.db2.gz XKSKWLZFAQLHLI-UHFFFAOYSA-N 0 0 338.860 4.854 50 0 EJAARN CCn1cc(CCCC(=O)NC[C@H](C)c2ccccc2)c2ccccc21 ZINC000006782769 210709871 /nfs/dbraw/zinc/70/98/71/210709871.db2.gz QXIWXVHQGXEADA-SFHVURJKSA-N 0 0 348.490 4.904 50 0 EJAARN CCOc1ccccc1Nc1nnc(SCc2ccccc2)s1 ZINC000006784309 210709783 /nfs/dbraw/zinc/70/97/83/210709783.db2.gz CENCUANMJCNLAE-UHFFFAOYSA-N 0 0 343.477 4.973 50 0 EJAARN Cc1cc(C)n(Cc2cccc(C)c2)c1C(=O)N(C)Cc1ccccc1 ZINC000006774511 210707752 /nfs/dbraw/zinc/70/77/52/210707752.db2.gz SZGVWFUEPJTDHD-UHFFFAOYSA-N 0 0 346.474 4.734 50 0 EJAARN CCCOc1ccc(NC(=O)N[C@H](CC)c2cccnc2)cc1Cl ZINC000096148491 218625846 /nfs/dbraw/zinc/62/58/46/218625846.db2.gz YIMILWRCKHPRNE-MRXNPFEDSA-N 0 0 347.846 4.797 50 0 EJAARN CC(C)NC(=O)C[C@H](c1c[nH]c2ccccc21)c1ccc(Cl)cc1 ZINC000006740344 210695461 /nfs/dbraw/zinc/69/54/61/210695461.db2.gz SBCOPZSVSOZNKW-KRWDZBQOSA-N 0 0 340.854 4.868 50 0 EJAARN CN(Cc1ccccc1)C(=O)c1ccc(COc2ccccc2)cc1 ZINC000006700766 210683909 /nfs/dbraw/zinc/68/39/09/210683909.db2.gz XVJWBRINHNCMOK-UHFFFAOYSA-N 0 0 331.415 4.538 50 0 EJAARN COc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(OC)c1 ZINC000006425842 210632436 /nfs/dbraw/zinc/63/24/36/210632436.db2.gz BTYIRHYGVQFXLW-UHFFFAOYSA-N 0 0 333.387 4.623 50 0 EJAARN CC[C@@H](C)c1ccc(N2C(=S)N=NC2CCc2ccccc2)cc1 ZINC000006394160 210628154 /nfs/dbraw/zinc/62/81/54/210628154.db2.gz LIUGBMCLESQDEB-OAHLLOKOSA-N 0 0 337.492 4.855 50 0 EJAARN O=C(CCc1ccccc1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000006332929 210619025 /nfs/dbraw/zinc/61/90/25/210619025.db2.gz WVCHXZCALRINPQ-UHFFFAOYSA-N 0 0 325.742 4.513 50 0 EJAARN Cc1ccc(-c2csc(NC(=O)c3cc4c(s3)CCC4)n2)cc1 ZINC000012598829 207177989 /nfs/dbraw/zinc/17/79/89/207177989.db2.gz CGCLUBIJECTSJO-UHFFFAOYSA-N 0 0 340.473 4.921 50 0 EJAARN Cc1[nH]c2ccccc2c1C(=O)COc1ccccc1Br ZINC000005999891 210575240 /nfs/dbraw/zinc/57/52/40/210575240.db2.gz DFZBJKCGIQJELD-UHFFFAOYSA-N 0 0 344.208 4.501 50 0 EJAARN O=C(N[C@H]1CCSc2ccc(F)cc21)c1cc(Cl)ccc1F ZINC000012947481 207266535 /nfs/dbraw/zinc/26/65/35/207266535.db2.gz XGHWKTIFWOTFSF-AWEZNQCLSA-N 0 0 339.794 4.585 50 0 EJAARN CCOCc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)ccc1OC ZINC000014180365 207629978 /nfs/dbraw/zinc/62/99/78/207629978.db2.gz YNTLLOCFJXSNFJ-UHFFFAOYSA-N 0 0 341.451 4.782 50 0 EJAARN C[C@@H]1CCN(C(=O)COc2ccccc2Cl)c2ccccc2S1 ZINC000005861603 210550000 /nfs/dbraw/zinc/55/00/00/210550000.db2.gz ZRBAYOHUFWLYDQ-CYBMUJFWSA-N 0 0 347.867 4.636 50 0 EJAARN O=C(CSCc1ccccc1)Nc1ccccc1C(F)(F)F ZINC000005736541 210526584 /nfs/dbraw/zinc/52/65/84/210526584.db2.gz NQECWXZIYJMDRT-UHFFFAOYSA-N 0 0 325.355 4.577 50 0 EJAARN COc1ccccc1NCC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000005689748 210517763 /nfs/dbraw/zinc/51/77/63/210517763.db2.gz WMPPXOIACKWGGT-UHFFFAOYSA-N 0 0 348.402 4.538 50 0 EJAARN O=C1c2ccccc2N[C@@H](c2ccc(Cl)cc2)N1Cc1ccco1 ZINC000005595477 210498453 /nfs/dbraw/zinc/49/84/53/210498453.db2.gz YVRGMNRZNNLIFI-GOSISDBHSA-N 0 0 338.794 4.700 50 0 EJAARN O=C(Nc1ccccc1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000005520696 210480181 /nfs/dbraw/zinc/48/01/81/210480181.db2.gz HNHSNBXXGBXNBF-UHFFFAOYSA-N 0 0 325.371 4.549 50 0 EJAARN O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1ccc(F)cc1 ZINC000005403577 210457998 /nfs/dbraw/zinc/45/79/98/210457998.db2.gz CESWFFDSMCBXTF-UHFFFAOYSA-N 0 0 346.814 4.784 50 0 EJAARN O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1ccc(F)cc1 ZINC000005392313 210456238 /nfs/dbraw/zinc/45/62/38/210456238.db2.gz NJNVAYBNZKOHCN-UHFFFAOYSA-N 0 0 346.814 4.779 50 0 EJAARN CC(C)NC(=O)[C@@H]1CC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000005486841 210472557 /nfs/dbraw/zinc/47/25/57/210472557.db2.gz BRMBARMQXWOPJX-KRWDZBQOSA-N 0 0 348.273 4.824 50 0 EJAARN O=C(/C=C\c1ccc(F)c(Cl)c1)N1CCC[C@H]1c1ccccc1 ZINC000096937064 218902942 /nfs/dbraw/zinc/90/29/42/218902942.db2.gz AZVMALADNRISTP-FYGXRCCRSA-N 0 0 329.802 4.856 50 0 EJAARN Cc1ccc(N[C@H](c2ccc(O)cc2)[P@@]2(=O)OCC[C@H](C)O2)cc1 ZINC000005363270 210449586 /nfs/dbraw/zinc/44/95/86/210449586.db2.gz MVCYMXFPPSIAHN-MYXDTRPFSA-N 0 0 347.351 4.830 50 0 EJAARN O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)C1CCCCC1 ZINC000005137325 210398815 /nfs/dbraw/zinc/39/88/15/210398815.db2.gz PGHLGXGQJSOBGL-UHFFFAOYSA-N 0 0 348.899 4.703 50 0 EJAARN CSc1ccc2nc(Nc3ccc4c(c3)OCCO4)sc2c1 ZINC000005087687 210386436 /nfs/dbraw/zinc/38/64/36/210386436.db2.gz KWXAGCZADJADKG-UHFFFAOYSA-N 0 0 330.434 4.533 50 0 EJAARN Cc1ccccc1N(C)C(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000005050625 210375483 /nfs/dbraw/zinc/37/54/83/210375483.db2.gz VAWQXEVMIMLXAG-UHFFFAOYSA-N 0 0 335.428 4.893 50 0 EJAARN Cc1ccc(C(=O)[C@H](Sc2nncs2)c2ccc(C)cc2)cc1 ZINC000005054571 210377149 /nfs/dbraw/zinc/37/71/49/210377149.db2.gz MZPOTUARUWOSJL-QGZVFWFLSA-N 0 0 340.473 4.871 50 0 EJAARN Clc1ccc(CSc2ncn(-c3ccccc3)n2)cc1Cl ZINC000005063221 210380394 /nfs/dbraw/zinc/38/03/94/210380394.db2.gz NDLGVHPCGFIRTI-UHFFFAOYSA-N 0 0 336.247 4.866 50 0 EJAARN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccccc1N1CCCC1 ZINC000005063618 210380427 /nfs/dbraw/zinc/38/04/27/210380427.db2.gz AJXHAEFFOOFGTL-UHFFFAOYSA-N 0 0 338.495 4.832 50 0 EJAARN Cc1cccc2c1-c1sc(C(=O)N(C)c3ccccc3)cc1CO2 ZINC000005049513 210374003 /nfs/dbraw/zinc/37/40/03/210374003.db2.gz ACKKULTXOMHAPS-UHFFFAOYSA-N 0 0 335.428 4.893 50 0 EJAARN Cc1cccc2c1-c1sc(C(=O)N3C[C@H](C)C[C@H](C)C3)cc1CO2 ZINC000005048480 210374112 /nfs/dbraw/zinc/37/41/12/210374112.db2.gz RRBIGOUJJCJCQA-BETUJISGSA-N 0 0 341.476 4.734 50 0 EJAARN Cc1cccc2c1-c1sc(C(=O)NC3CCC(C)CC3)cc1CO2 ZINC000005049928 210373845 /nfs/dbraw/zinc/37/38/45/210373845.db2.gz BQJCPCREGBVXDZ-UHFFFAOYSA-N 0 0 341.476 4.924 50 0 EJAARN O=C(/C=C\c1ccccc1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000005044786 210373458 /nfs/dbraw/zinc/37/34/58/210373458.db2.gz RWEMUPPYCRVLKJ-YPKPFQOOSA-N 0 0 339.398 4.882 50 0 EJAARN O=C(c1ccco1)N1N=C(c2ccco2)C[C@H]1c1ccc(Cl)cc1 ZINC000005043635 210373283 /nfs/dbraw/zinc/37/32/83/210373283.db2.gz YDJMCAHYHIFANO-HNNXBMFYSA-N 0 0 340.766 4.518 50 0 EJAARN C[C@@]1(c2ccc(Br)cc2)NN=C(Cc2ccccc2)S1 ZINC000005017467 210363674 /nfs/dbraw/zinc/36/36/74/210363674.db2.gz YZTQTWIHYRNOIC-MRXNPFEDSA-N 0 0 347.281 4.514 50 0 EJAARN COc1cccc2c(C)cc(NCCc3cccc(Cl)c3)nc12 ZINC000005005696 210359443 /nfs/dbraw/zinc/35/94/43/210359443.db2.gz KIDHHOWTHOMYHZ-UHFFFAOYSA-N 0 0 326.827 4.860 50 0 EJAARN O=C(c1cccnc1)N(c1nc2ccccc2s1)c1ccc(F)cc1 ZINC000004980024 210348669 /nfs/dbraw/zinc/34/86/69/210348669.db2.gz RCWIECIVOBAVCV-UHFFFAOYSA-N 0 0 349.390 4.809 50 0 EJAARN O=C(Nc1ccc(Cl)cn1)C1c2ccccc2Oc2ccccc21 ZINC000000030292 208551340 /nfs/dbraw/zinc/55/13/40/208551340.db2.gz NIIBOODBJMCQGZ-UHFFFAOYSA-N 0 0 336.778 4.611 50 0 EJAARN Oc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000004954230 210339269 /nfs/dbraw/zinc/33/92/69/210339269.db2.gz ZJTSWZBWWAXWJL-IFMALSPDSA-N 0 0 342.398 4.635 50 0 EJAARN O=C(Nc1ccccc1Cl)[C@@]1(c2ccccc2)CC1(Cl)Cl ZINC000004955978 210338932 /nfs/dbraw/zinc/33/89/32/210338932.db2.gz KYQQNZSTHWBUBL-HNNXBMFYSA-N 0 0 340.637 4.794 50 0 EJAARN CCCC(CCC)C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 ZINC000004950064 210338164 /nfs/dbraw/zinc/33/81/64/210338164.db2.gz KTKWYKWKIOODDD-UHFFFAOYSA-N 0 0 336.439 4.551 50 0 EJAARN C[C@H]1CCCN(C(=O)c2cc3c(s2)c2ccccc2nc3Cl)C1 ZINC000004938152 210329676 /nfs/dbraw/zinc/32/96/76/210329676.db2.gz MZNYZHJLXVVJCY-NSHDSACASA-N 0 0 344.867 4.975 50 0 EJAARN Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc3ccccc3[nH]2)c(C)c1 ZINC000000036104 208553881 /nfs/dbraw/zinc/55/38/81/208553881.db2.gz CKWVOYDXVGANLE-AWEZNQCLSA-N 0 0 339.464 4.607 50 0 EJAARN CCc1ccc(OC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 ZINC000000038629 208554689 /nfs/dbraw/zinc/55/46/89/208554689.db2.gz DVDHQUZKWYEEAU-NSHDSACASA-N 0 0 339.218 4.929 50 0 EJAARN CC1(C)Oc2ccccc2C(=O)[C@]1(Cl)SNc1ccccc1 ZINC000004922517 210324538 /nfs/dbraw/zinc/32/45/38/210324538.db2.gz ZQVUKCJMIUJAHT-KRWDZBQOSA-N 0 0 333.840 4.736 50 0 EJAARN Cc1ccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccco2)c(C)c1 ZINC000004914428 210322786 /nfs/dbraw/zinc/32/27/86/210322786.db2.gz HHASCUCIMQVTGQ-HXUWFJFHSA-N 0 0 332.403 4.663 50 0 EJAARN Cc1ccc(N2C(=O)c3ccccc3[C@H]2Nc2ccc(Cl)cc2)nc1 ZINC000004916703 210322385 /nfs/dbraw/zinc/32/23/85/210322385.db2.gz PPGVGRHKELRLKP-IBGZPJMESA-N 0 0 349.821 4.815 50 0 EJAARN CCOc1ccccc1NC(=O)N1CCS[C@@H]1c1cccc(F)c1 ZINC000004912003 210321250 /nfs/dbraw/zinc/32/12/50/210321250.db2.gz PKTKDRRDWVGQMQ-QGZVFWFLSA-N 0 0 346.427 4.504 50 0 EJAARN Cc1nc2cc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)ccc2o1 ZINC000007036587 208574641 /nfs/dbraw/zinc/57/46/41/208574641.db2.gz AUKVQGUCNMXZEF-UHFFFAOYSA-N 0 0 344.798 4.586 50 0 EJAARN CC(C)c1ccc(Nc2c(-c3ccc(O)cc3)nc3ncccn32)cc1 ZINC000004903673 210317769 /nfs/dbraw/zinc/31/77/69/210317769.db2.gz ZQFWTBJCZZHHAV-UHFFFAOYSA-N 0 0 344.418 4.969 50 0 EJAARN O=C1O[C@](Oc2ccccc2)(c2ccc(Cl)cc2)c2ccccc21 ZINC000004898991 210315504 /nfs/dbraw/zinc/31/55/04/210315504.db2.gz PCBLJZDVXRAMGE-HXUWFJFHSA-N 0 0 336.774 4.791 50 0 EJAARN S=C1NC2(CCCCCC2)N=C1c1ccc(Cl)cc1Cl ZINC000004891231 210313184 /nfs/dbraw/zinc/31/31/84/210313184.db2.gz YBDMAVMNLAHOBJ-UHFFFAOYSA-N 0 0 327.280 4.764 50 0 EJAARN C[C@H](Sc1ccc2ccccc2c1)C(=O)N(C)Cc1ccccc1 ZINC000004886536 210311665 /nfs/dbraw/zinc/31/16/65/210311665.db2.gz IJWMPZNFORMVRA-INIZCTEOSA-N 0 0 335.472 4.979 50 0 EJAARN Cc1cccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(F)cc2)c1 ZINC000004854356 210301543 /nfs/dbraw/zinc/30/15/43/210301543.db2.gz PQENLYCHNJLQTD-HXUWFJFHSA-N 0 0 349.409 4.573 50 0 EJAARN CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CC(C)(C)C 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ZINC000004649480 135665328 /nfs/dbraw/zinc/66/53/28/135665328.db2.gz NPRRZUQQVVUABQ-NRFANRHFSA-N 0 0 344.414 4.780 50 0 EJAARN O=C1c2ccccc2N[C@@H](CCc2ccccc2)N1c1ccccc1 ZINC000004844561 135667220 /nfs/dbraw/zinc/66/72/20/135667220.db2.gz BMQRFOHYPDIMIN-OAQYLSRUSA-N 0 0 328.415 4.718 50 0 EJAARN CC[C@@H]1CN(C(=O)Nc2ccccc2OC)c2ccccc2S1 ZINC000006876977 135678128 /nfs/dbraw/zinc/67/81/28/135678128.db2.gz KBEXQGHBYPZIDT-CYBMUJFWSA-N 0 0 328.437 4.618 50 0 EJAARN c1cc2c(ncnc2N2CCC(c3c[nH]c4ccccc43)CC2)s1 ZINC000012791149 135698091 /nfs/dbraw/zinc/69/80/91/135698091.db2.gz CWAZGLRYBXOCKV-UHFFFAOYSA-N 0 0 334.448 4.557 50 0 EJAARN CC(C)CCNC(=O)c1ccc(N2CCCc3ccccc32)s1 ZINC000015732246 135708361 /nfs/dbraw/zinc/70/83/61/135708361.db2.gz BDLFPNMZRGWGNJ-UHFFFAOYSA-N 0 0 328.481 4.608 50 0 EJAARN Cc1cccc(-c2cncc(C(=O)Nc3c(C)cc(C)nc3C)c2)c1 ZINC000122392794 222077882 /nfs/dbraw/zinc/07/78/82/222077882.db2.gz DDZWDHMPDDNARY-UHFFFAOYSA-N 0 0 331.419 4.630 50 0 EJAARN CC(=O)CCc1ccc(Oc2nc3cc(C)nn3c3ccccc32)cc1 ZINC000007737836 517349548 /nfs/dbraw/zinc/34/95/48/517349548.db2.gz QBCIXAAWIJYSEG-UHFFFAOYSA-N 0 0 345.402 4.505 50 0 EJAARN COc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)c(OC)cc1Cl ZINC000000128557 518139465 /nfs/dbraw/zinc/13/94/65/518139465.db2.gz XLXJDPXPIGUNOS-UHFFFAOYSA-N 0 0 347.842 4.907 50 0 EJAARN Cc1cccc(C)c1NC(=S)NC(=O)c1cccc2ccccc21 ZINC000000453811 518190290 /nfs/dbraw/zinc/19/02/90/518190290.db2.gz AMYQBAPHCDXMHU-UHFFFAOYSA-N 0 0 334.444 4.583 50 0 EJAARN FC(F)(F)c1ccc(Br)cc1N1CCC(F)(F)CC1 ZINC000169725682 534417965 /nfs/dbraw/zinc/41/79/65/534417965.db2.gz RDDYHYWRMWDXNC-UHFFFAOYSA-N 0 0 344.121 4.703 50 0 EJAARN CCN(C(=O)Nc1cccc(COC(C)C)c1)[C@H](C)c1cccnc1 ZINC000096406976 520001110 /nfs/dbraw/zinc/00/11/10/520001110.db2.gz SNWLCFSWAOSIOB-MRXNPFEDSA-N 0 0 341.455 4.622 50 0 EJAARN CCCCCCOc1ccccc1/C=C1/N=C(SC)SC1=O ZINC000002073706 520108605 /nfs/dbraw/zinc/10/86/05/520108605.db2.gz ULAVIBYRGZOFPC-WYMLVPIESA-N 0 0 335.494 4.979 50 0 EJAARN CCn1c(Cc2cccs2)nnc1SCc1ccccc1C ZINC000014112953 523204629 /nfs/dbraw/zinc/20/46/29/523204629.db2.gz MPDCFGIADDLAII-UHFFFAOYSA-N 0 0 329.494 4.551 50 0 EJAARN CN(C)C(=O)[C@H](Oc1cccc(Oc2ccccc2)c1)c1ccccc1 ZINC000012762846 524014477 /nfs/dbraw/zinc/01/44/77/524014477.db2.gz AICVTBTULSJCLJ-OAQYLSRUSA-N 0 0 347.414 4.687 50 0 EJAARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)CC(=O)C[C@@H]4[C@H]3CC[C@H]2C1 ZINC000254905862 534780112 /nfs/dbraw/zinc/78/01/12/534780112.db2.gz RAVPGOUPQFSNSA-IWQCLKLKSA-N 0 0 332.484 4.530 50 0 EJAARN COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2F)cc1 ZINC000000070040 524400585 /nfs/dbraw/zinc/40/05/85/524400585.db2.gz LYXPSDAPBZZZRY-HXUWFJFHSA-N 0 0 348.377 4.605 50 0 EJAARN Cc1ccc(NC(=O)CC[C@@H](C)CC(=O)Nc2ccc(C)cc2)cc1 ZINC000025539749 525036980 /nfs/dbraw/zinc/03/69/80/525036980.db2.gz VLXNSUNHZWFUJP-QGZVFWFLSA-N 0 0 338.451 4.687 50 0 EJAARN CO[C@@H](CNC(=O)c1cccc2ccccc21)c1ccccc1Cl ZINC000206849899 536502050 /nfs/dbraw/zinc/50/20/50/536502050.db2.gz VINSKVHPIDCIOA-IBGZPJMESA-N 0 0 339.822 4.611 50 0 EJAARN COc1cccc(-c2cccc(C(=O)N(C)[C@@H](C)c3cccnc3)c2)c1 ZINC000215009094 537065725 /nfs/dbraw/zinc/06/57/25/537065725.db2.gz NVPFNIWYSBPKRS-INIZCTEOSA-N 0 0 346.430 4.590 50 0 EJAARN Cc1cc(O)ccc1NC(=S)Nc1ccc(Cl)cc1Cl ZINC000017066922 563831038 /nfs/dbraw/zinc/83/10/38/563831038.db2.gz VFEKOCCOXOPZNC-UHFFFAOYSA-N 0 0 327.236 4.816 50 0 EJAARN O=c1oc(-c2ccccc2Cl)nc2c(Cl)cc(Cl)cc12 ZINC000000041109 563968631 /nfs/dbraw/zinc/96/86/31/563968631.db2.gz OWLYKMMLRYZRIH-UHFFFAOYSA-N 0 0 326.566 4.815 50 0 EJAARN COc1cc(Br)cc(Cl)c1OCc1ccccc1 ZINC000074937852 563967071 /nfs/dbraw/zinc/96/70/71/563967071.db2.gz PSGRAIZMYQRZSL-UHFFFAOYSA-N 0 0 327.605 4.690 50 0 EJAARN CC(C)[C@@H](NC(=O)c1ccccc1Br)c1ccccc1 ZINC000000462344 564012666 /nfs/dbraw/zinc/01/26/66/564012666.db2.gz RPZJTONLJNQUDK-MRXNPFEDSA-N 0 0 332.241 4.576 50 0 EJAARN CC(C)(C)[C@@H](NCc1ccc(Br)s1)C(F)(F)F ZINC000095962970 564142805 /nfs/dbraw/zinc/14/28/05/564142805.db2.gz NLVBDTPVWFPVGX-SECBINFHSA-N 0 0 330.213 4.577 50 0 EJAARN O=C(/C=C/c1c(Cl)cccc1Cl)Nc1cc(Cl)ccn1 ZINC000000475185 563333734 /nfs/dbraw/zinc/33/37/34/563333734.db2.gz BPMONPWNCWZZLA-SNAWJCMRSA-N 0 0 327.598 4.694 50 0 EJAARN CC1(C)COC(CCCC(=O)c2cc(Cl)ccc2Cl)OC1 ZINC000002518144 563438402 /nfs/dbraw/zinc/43/84/02/563438402.db2.gz OYQFVWVMDQPPSY-UHFFFAOYSA-N 0 0 331.239 4.746 50 0 EJAARN CCOc1ccc(CC(=O)Nc2c(C)cc(C)cc2C)cc1OCC ZINC000000038599 563212471 /nfs/dbraw/zinc/21/24/71/563212471.db2.gz YVNGISBIHKRYFZ-UHFFFAOYSA-N 0 0 341.451 4.590 50 0 EJAARN COc1ccc(CC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1 ZINC000000038869 563212493 /nfs/dbraw/zinc/21/24/93/563212493.db2.gz JVQFJUKHAPJKIV-UHFFFAOYSA-N 0 0 332.403 4.620 50 0 EJAARN Cc1ccccc1NC(=O)CCC(=O)OC1CCC(C(C)(C)C)CC1 ZINC000000060928 563214192 /nfs/dbraw/zinc/21/41/92/563214192.db2.gz CPCAVNVVWOHDKW-UHFFFAOYSA-N 0 0 345.483 4.862 50 0 EJAARN COc1ccc([C@H]2S[C@H](C)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000000070314 563215103 /nfs/dbraw/zinc/21/51/03/563215103.db2.gz ZZUISRVPMLVLLR-PIGZYNQJSA-N 0 0 333.840 4.516 50 0 EJAARN O=c1cc(-c2ccccc2)nc2scc(-c3ccc(Cl)cc3)n21 ZINC000000073133 563216197 /nfs/dbraw/zinc/21/61/97/563216197.db2.gz AWHIFVHUFKQMNB-UHFFFAOYSA-N 0 0 338.819 4.743 50 0 EJAARN Clc1ccc(COc2ccc(-c3noc(C4CC4)n3)cc2)cc1 ZINC000000076306 563216916 /nfs/dbraw/zinc/21/69/16/563216916.db2.gz MTGKEADPSAJAPP-UHFFFAOYSA-N 0 0 326.783 4.846 50 0 EJAARN Cc1nc2sc3c(c2c(SCc2ccc(F)cc2)n1)CCC3 ZINC000000089266 563221808 /nfs/dbraw/zinc/22/18/08/563221808.db2.gz KEZBZKUOQSMFDB-UHFFFAOYSA-N 0 0 330.453 4.920 50 0 EJAARN Clc1ccc2sc(Oc3cccc(N4CCOCC4)c3)nc2c1 ZINC000000091374 563222498 /nfs/dbraw/zinc/22/24/98/563222498.db2.gz PVEDGSFGFGWVFQ-UHFFFAOYSA-N 0 0 346.839 4.579 50 0 EJAARN O=C(Nc1ccc(Cl)cc1)Nc1ccc(Oc2cccnc2)nc1 ZINC000000092730 563223162 /nfs/dbraw/zinc/22/31/62/563223162.db2.gz UCFUIDAZEIFLQV-UHFFFAOYSA-N 0 0 340.770 4.566 50 0 EJAARN c1ccc(CSc2nc3ccccc3n2Cc2ccccn2)cc1 ZINC000000095089 563223870 /nfs/dbraw/zinc/22/38/70/563223870.db2.gz VSGUHKUROHVBAB-UHFFFAOYSA-N 0 0 331.444 4.772 50 0 EJAARN O=c1oc2cc(OCc3ccccc3Cl)ccc2c2c1CCC2 ZINC000000095638 563224280 /nfs/dbraw/zinc/22/42/80/563224280.db2.gz CPTBEYFVKZLCBD-UHFFFAOYSA-N 0 0 326.779 4.514 50 0 EJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccccc1F ZINC000000095813 563224288 /nfs/dbraw/zinc/22/42/88/563224288.db2.gz OSZIKUBBHMWXKK-UHFFFAOYSA-N 0 0 348.736 4.834 50 0 EJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccccc1 ZINC000000095809 563224324 /nfs/dbraw/zinc/22/43/24/563224324.db2.gz RRZJEJDYSVNOLJ-UHFFFAOYSA-N 0 0 330.746 4.695 50 0 EJAARN CCOC(=O)c1cnc2ccccc2c1Nc1ccc(Cl)cc1 ZINC000000098370 563224980 /nfs/dbraw/zinc/22/49/80/563224980.db2.gz YGYLWNLYQYWNOX-UHFFFAOYSA-N 0 0 326.783 4.809 50 0 EJAARN Clc1ccc(-c2nc(-c3ccc(-c4csnn4)cc3)no2)cc1 ZINC000000106771 563228421 /nfs/dbraw/zinc/22/84/21/563228421.db2.gz NMZGRQWUHUFFRO-UHFFFAOYSA-N 0 0 340.795 4.576 50 0 EJAARN O=C1[C@@H]2[C@H](c3nc4ccccc4n31)C1c3ccccc3C2c2ccccc21 ZINC000000107180 563228422 /nfs/dbraw/zinc/22/84/22/563228422.db2.gz YKWULJVVXOGHSJ-XABBQPORSA-N 0 0 348.405 4.681 50 0 EJAARN CCC[C@H]1C[C@](C)(c2csc(Nc3ccc(C)cc3)n2)OC1=O ZINC000000114929 563231396 /nfs/dbraw/zinc/23/13/96/563231396.db2.gz DQCZCIOEXSBBNB-SCLBCKFNSA-N 0 0 330.453 4.774 50 0 biogenic EJAARN COC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000000115719 563231796 /nfs/dbraw/zinc/23/17/96/563231796.db2.gz JGAKQDVUTVBVFP-UHFFFAOYSA-N 0 0 332.186 4.995 50 0 EJAARN COc1ccccc1OCC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000000116356 563231885 /nfs/dbraw/zinc/23/18/85/563231885.db2.gz CDVDNHOKEYIIOH-UHFFFAOYSA-N 0 0 345.483 4.568 50 0 EJAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCC1=CCCCC1 ZINC000000116468 563232113 /nfs/dbraw/zinc/23/21/13/563232113.db2.gz GZKIOEGCTTVCAF-GFCCVEGCSA-N 0 0 342.266 4.767 50 0 EJAARN CCOC(=O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000000121871 563234819 /nfs/dbraw/zinc/23/48/19/563234819.db2.gz TUPASNXVBALDOQ-UHFFFAOYSA-N 0 0 345.704 4.723 50 0 EJAARN Clc1ccc(Nc2ncnc3ccc(Br)cc32)cc1 ZINC000000122241 563235107 /nfs/dbraw/zinc/23/51/07/563235107.db2.gz CJFDGMGNXVBYEQ-UHFFFAOYSA-N 0 0 334.604 4.789 50 0 EJAARN CCOC(=O)c1noc(C)c1-c1csc(-c2ccc(Cl)cc2)n1 ZINC000000122393 563235136 /nfs/dbraw/zinc/23/51/36/563235136.db2.gz JVTGEOJRHWRJGL-UHFFFAOYSA-N 0 0 348.811 4.604 50 0 EJAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccccc1F ZINC000000122462 563235139 /nfs/dbraw/zinc/23/51/39/563235139.db2.gz ZWZWJGMRQMFDDD-UHFFFAOYSA-N 0 0 347.349 4.590 50 0 EJAARN O=C(Nc1cccc(C(=O)c2ccccc2)c1)c1ccc(Cl)cc1 ZINC000000124910 563236162 /nfs/dbraw/zinc/23/61/62/563236162.db2.gz OBCGCWMCABAZPU-UHFFFAOYSA-N 0 0 335.790 4.823 50 0 EJAARN CCOC(=O)c1sc(SC)c2c1C[C@@H](c1ccccc1)CC2=O ZINC000000125652 563236583 /nfs/dbraw/zinc/23/65/83/563236583.db2.gz QQSDCLYLNUEVHU-GFCCVEGCSA-N 0 0 346.473 4.559 50 0 EJAARN COc1cc(C(C)=O)ccc1OC(=O)c1ccc(-c2ccccc2)cc1 ZINC000000129401 563237570 /nfs/dbraw/zinc/23/75/70/563237570.db2.gz WVBIOANPZQLFRG-UHFFFAOYSA-N 0 0 346.382 4.784 50 0 EJAARN Cc1ccc(-c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1F ZINC000000128402 563237639 /nfs/dbraw/zinc/23/76/39/563237639.db2.gz BDSKNOFAAYKSHF-UHFFFAOYSA-N 0 0 327.380 4.696 50 0 EJAARN Cc1ccc(Oc2ncccc2NC(=O)c2ccco2)c2c1CCC2 ZINC000000129550 563238026 /nfs/dbraw/zinc/23/80/26/563238026.db2.gz RPJDSULOBHXADQ-UHFFFAOYSA-N 0 0 334.375 4.516 50 0 EJAARN CCOC(=O)c1cnc2c(F)ccc(F)c2c1Sc1ccccc1 ZINC000000131872 563238773 /nfs/dbraw/zinc/23/87/73/563238773.db2.gz FERXSQVCCZAZAC-UHFFFAOYSA-N 0 0 345.370 4.841 50 0 EJAARN CSc1ncnc2scc(-c3ccc(Br)cc3)c21 ZINC000000132326 563239056 /nfs/dbraw/zinc/23/90/56/563239056.db2.gz MBCHRIIOMYGXIK-UHFFFAOYSA-N 0 0 337.267 4.843 50 0 EJAARN CC(C)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000000137423 563241208 /nfs/dbraw/zinc/24/12/08/563241208.db2.gz LHJZQTMGBSFPGA-UHFFFAOYSA-N 0 0 329.252 4.635 50 0 EJAARN O=C(Nc1cccnc1)c1ccc(CSc2ccc(Cl)cc2)o1 ZINC000000138772 563241229 /nfs/dbraw/zinc/24/12/29/563241229.db2.gz YOHSVKXCARYNES-UHFFFAOYSA-N 0 0 344.823 4.873 50 0 EJAARN Cc1ccc(C)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1C ZINC000000144576 563243627 /nfs/dbraw/zinc/24/36/27/563243627.db2.gz MVRMRGRWKVCNJX-UHFFFAOYSA-N 0 0 338.234 4.936 50 0 EJAARN Cc1ccc(C)c(OCC(=O)Nc2ccccc2C(F)(F)F)c1C ZINC000000144594 563243669 /nfs/dbraw/zinc/24/36/69/563243669.db2.gz DKSPFWDRPKGDSY-UHFFFAOYSA-N 0 0 337.341 4.648 50 0 EJAARN O=C(NC1CCCCCC1)c1ccccc1-c1nc2ccccc2[nH]1 ZINC000000146245 563244532 /nfs/dbraw/zinc/24/45/32/563244532.db2.gz PDMRFWFTUOYQQP-UHFFFAOYSA-N 0 0 333.435 4.683 50 0 EJAARN CC(=O)c1ccc(NC(=O)C=Cc2c(Cl)cccc2Cl)cc1 ZINC000000147130 563244872 /nfs/dbraw/zinc/24/48/72/563244872.db2.gz DUOQXWOEKUGNGR-MDZDMXLPSA-N 0 0 334.202 4.848 50 0 EJAARN CCOC(=O)Oc1c(=O)c2ccccc2oc1-c1ccc(Cl)cc1 ZINC000000151088 563246072 /nfs/dbraw/zinc/24/60/72/563246072.db2.gz MWQVEZZKUWLRTP-UHFFFAOYSA-N 0 0 344.750 4.649 50 0 EJAARN CCOc1cc(C=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000000151816 563246383 /nfs/dbraw/zinc/24/63/83/563246383.db2.gz ZEJCRVCORCQXBL-UHFFFAOYSA-N 0 0 325.191 4.784 50 0 EJAARN O=C(Nc1ccc(N2CCC(n3cccc3)CC2)cc1)c1ccccc1 ZINC000000170572 563250822 /nfs/dbraw/zinc/25/08/22/563250822.db2.gz XEANRIVWGLWLLZ-UHFFFAOYSA-N 0 0 345.446 4.582 50 0 EJAARN O=C(Oc1ccccc1)c1c2ccccc2nnc1-c1ccccc1 ZINC000000170768 563251306 /nfs/dbraw/zinc/25/13/06/563251306.db2.gz MXUUAEYSNQATFQ-UHFFFAOYSA-N 0 0 326.355 4.516 50 0 EJAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(C)(C)C)cc3n2)cc1 ZINC000000171311 563251548 /nfs/dbraw/zinc/25/15/48/563251548.db2.gz DBWTZTTTYLCFQP-UHFFFAOYSA-N 0 0 349.356 4.721 50 0 EJAARN O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1ccc(F)cc1 ZINC000000175996 563252921 /nfs/dbraw/zinc/25/29/21/563252921.db2.gz IJYFXEWRPTXMBE-UHFFFAOYSA-N 0 0 348.333 4.592 50 0 biogenic EJAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Oc3ccc(C)cc3)cc12 ZINC000000178524 563253445 /nfs/dbraw/zinc/25/34/45/563253445.db2.gz ZTZMXSMSNKAOHG-UHFFFAOYSA-N 0 0 348.427 4.923 50 0 EJAARN Cc1ccccc1NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O ZINC000000192860 563256958 /nfs/dbraw/zinc/25/69/58/563256958.db2.gz SAEQNCZLPPDKSQ-UHFFFAOYSA-N 0 0 348.185 4.661 50 0 EJAARN CN(Cc1ccccc1)c1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000000213178 563261207 /nfs/dbraw/zinc/26/12/07/563261207.db2.gz WOTLOFMQXNEMNW-UHFFFAOYSA-N 0 0 343.352 4.799 50 0 EJAARN FC(F)(F)c1cc(-c2ccccc2)nc(NCc2cccs2)n1 ZINC000000213182 563261258 /nfs/dbraw/zinc/26/12/58/563261258.db2.gz MAGRYKCIBXUZJH-UHFFFAOYSA-N 0 0 335.354 4.836 50 0 EJAARN CC(C)(C)C(=O)Nc1cccc2c(NC(=O)C(C)(C)C)cccc12 ZINC000000226123 563263104 /nfs/dbraw/zinc/26/31/04/563263104.db2.gz MJWCRTJDGYQBQQ-UHFFFAOYSA-N 0 0 326.440 4.809 50 0 EJAARN CCCC(=O)Nc1ccc2oc(-c3ccc(OC)c(Cl)c3)nc2c1 ZINC000000238156 563264560 /nfs/dbraw/zinc/26/45/60/563264560.db2.gz AABFKSCBTOPMRY-UHFFFAOYSA-N 0 0 344.798 4.895 50 0 EJAARN CC(C)COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000000262184 563268596 /nfs/dbraw/zinc/26/85/96/563268596.db2.gz YBLNQTLQBMVHJY-UHFFFAOYSA-N 0 0 337.341 4.993 50 0 EJAARN O=C(Nc1cccnc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000000265160 563268801 /nfs/dbraw/zinc/26/88/01/563268801.db2.gz SUIYEXXMNJJEQT-UHFFFAOYSA-N 0 0 333.174 4.901 50 0 EJAARN COc1cccc([C@@H]2CC(=O)c3c(ccc4ccccc43)N2)c1OC ZINC000000276241 563270642 /nfs/dbraw/zinc/27/06/42/563270642.db2.gz DNGDLOYNSJWQLP-KRWDZBQOSA-N 0 0 333.387 4.597 50 0 EJAARN COc1ccc(-c2ccccc2)cc1NCc1ccc(OC)c(OC)c1 ZINC000000280282 563271560 /nfs/dbraw/zinc/27/15/60/563271560.db2.gz LYYSLSFJEMCHDP-UHFFFAOYSA-N 0 0 349.430 4.992 50 0 EJAARN Cc1ccc([C@H](CC(=O)NC2CCCCC2)c2ccccc2)c(O)c1 ZINC000000285589 563272681 /nfs/dbraw/zinc/27/26/81/563272681.db2.gz HLFKTUFUIIWQQN-HXUWFJFHSA-N 0 0 337.463 4.672 50 0 EJAARN CC(C)(C)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 ZINC000000287702 563273140 /nfs/dbraw/zinc/27/31/40/563273140.db2.gz OTJSCTXBYPZDIB-UHFFFAOYSA-N 0 0 333.225 4.966 50 0 EJAARN CC(C)(C)C1CCC(OC(=O)CCC(=O)Nc2ccccc2)CC1 ZINC000000294605 563274119 /nfs/dbraw/zinc/27/41/19/563274119.db2.gz DECAYRMSMUUPRB-UHFFFAOYSA-N 0 0 331.456 4.553 50 0 EJAARN CCOC(=O)c1cnc(-c2ccccc2)nc1Nc1cc(C)ccc1C ZINC000000299969 563275649 /nfs/dbraw/zinc/27/56/49/563275649.db2.gz MXVBUPRFUNLBJI-UHFFFAOYSA-N 0 0 347.418 4.681 50 0 EJAARN COc1cccc(NC(=O)c2c(C)onc2-c2ccccc2Cl)c1 ZINC000000304184 563277090 /nfs/dbraw/zinc/27/70/90/563277090.db2.gz QEAXKUZLELFGNF-UHFFFAOYSA-N 0 0 342.782 4.564 50 0 EJAARN CCOc1cc2oc(C)c(Oc3ccccc3F)c(=O)c2cc1CC ZINC000000306414 563278040 /nfs/dbraw/zinc/27/80/40/563278040.db2.gz CBAJNJDCRCUZAR-UHFFFAOYSA-N 0 0 342.366 4.994 50 0 EJAARN CCOc1ccc2c(c1)oc(C)c(Oc1ccc(Cl)cc1)c2=O ZINC000000307431 563278509 /nfs/dbraw/zinc/27/85/09/563278509.db2.gz XODIQYDQOFAARG-UHFFFAOYSA-N 0 0 330.767 4.946 50 0 EJAARN O=Cc1cc(Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000000308271 563278796 /nfs/dbraw/zinc/27/87/96/563278796.db2.gz PSHSWGCUZUOPBI-UHFFFAOYSA-N 0 0 329.566 4.679 50 0 EJAARN O=C(NC(=S)Nc1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000000307999 563278847 /nfs/dbraw/zinc/27/88/47/563278847.db2.gz ZGKFZHFFVYHYLH-UHFFFAOYSA-N 0 0 340.835 4.620 50 0 EJAARN CCc1ccccc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000000309372 563279437 /nfs/dbraw/zinc/27/94/37/563279437.db2.gz PFHUICIPDWQMMQ-UHFFFAOYSA-N 0 0 337.444 4.717 50 0 EJAARN CCOc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1 ZINC000000317355 563283403 /nfs/dbraw/zinc/28/34/03/563283403.db2.gz VANFTVWGTZRBKI-UHFFFAOYSA-N 0 0 347.414 4.917 50 0 EJAARN O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccccc1Cl ZINC000000317213 563283418 /nfs/dbraw/zinc/28/34/18/563283418.db2.gz LWLOBEXBXTXSBD-UHFFFAOYSA-N 0 0 335.234 4.846 50 0 EJAARN CCOc1ccccc1NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000000318822 563284044 /nfs/dbraw/zinc/28/40/44/563284044.db2.gz IIUNEKPYTJKEHT-UHFFFAOYSA-N 0 0 347.414 4.917 50 0 EJAARN Cc1ccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)c(C)c1 ZINC000000348654 563288734 /nfs/dbraw/zinc/28/87/34/563288734.db2.gz DMGNMXUFEQDZRT-UHFFFAOYSA-N 0 0 349.430 4.946 50 0 EJAARN Cc1ccc2[nH]c(SCc3ccc(Br)cc3)nc2c1 ZINC000000348616 563288735 /nfs/dbraw/zinc/28/87/35/563288735.db2.gz RRZOLQBQTZWHJF-UHFFFAOYSA-N 0 0 333.254 4.926 50 0 EJAARN Cc1ccccc1-c1nc2c3c4c(sc3ncn2n1)CCCCC4 ZINC000000349951 563288964 /nfs/dbraw/zinc/28/89/64/563288964.db2.gz SEIOEVKRJQRZAJ-UHFFFAOYSA-N 0 0 334.448 4.583 50 0 EJAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2nc3ccccc3s2)c1 ZINC000000354994 563290809 /nfs/dbraw/zinc/29/08/09/563290809.db2.gz HSYCQJATGGKVLI-UHFFFAOYSA-N 0 0 340.448 4.746 50 0 EJAARN O=C(NC(=S)Nc1cccc2ccccc21)c1ccc(Cl)cc1 ZINC000000357753 563291574 /nfs/dbraw/zinc/29/15/74/563291574.db2.gz RCFWNYZNFLZASG-UHFFFAOYSA-N 0 0 340.835 4.620 50 0 EJAARN Cc1cccc(C(=O)Oc2ccc(Br)cc2Cl)c1 ZINC000000358971 563291859 /nfs/dbraw/zinc/29/18/59/563291859.db2.gz CQOMHCLLEBGPDO-UHFFFAOYSA-N 0 0 325.589 4.630 50 0 EJAARN Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1 ZINC000000359332 563292532 /nfs/dbraw/zinc/29/25/32/563292532.db2.gz PRWQEKYUFOPWTO-UHFFFAOYSA-N 0 0 328.843 4.891 50 0 EJAARN CCN(CC)c1ccc(NC(=O)COc2cccc3ccccc32)cc1 ZINC000000362727 563294448 /nfs/dbraw/zinc/29/44/48/563294448.db2.gz MWOJNZQAEDDXQM-UHFFFAOYSA-N 0 0 348.446 4.704 50 0 EJAARN CCOc1ccc(C(=O)Nc2nc3c(cccc3Cl)s2)cc1 ZINC000000364088 563295064 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/nfs/dbraw/zinc/35/28/83/563352883.db2.gz VQZJNIGNXDTFBP-UHFFFAOYSA-N 0 0 332.359 4.726 50 0 EJAARN C[C@H](NC(=O)COc1ccc(Cl)cc1)c1ccc2ccccc2c1 ZINC000000610399 563353658 /nfs/dbraw/zinc/35/36/58/563353658.db2.gz FYWMXBDAAMGLHD-AWEZNQCLSA-N 0 0 339.822 4.749 50 0 EJAARN Cn1c(SCc2ccc(F)cc2Cl)nnc1-c1ccccc1 ZINC000000613019 563356012 /nfs/dbraw/zinc/35/60/12/563356012.db2.gz FYXJZTXCPIXRPA-UHFFFAOYSA-N 0 0 333.819 4.567 50 0 EJAARN O=C(Nc1nccs1)c1ccccc1OCc1ccccc1Cl ZINC000000613787 563356441 /nfs/dbraw/zinc/35/64/41/563356441.db2.gz UEUJEIVOYLOMME-UHFFFAOYSA-N 0 0 344.823 4.628 50 0 EJAARN CCOc1cc(C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC ZINC000000615164 563357811 /nfs/dbraw/zinc/35/78/11/563357811.db2.gz DYYHCBVHMWXQDU-UHFFFAOYSA-N 0 0 333.815 4.698 50 0 EJAARN O=C(COc1ccc(Cl)cc1Cl)Oc1cccc2cccnc21 ZINC000000617686 563359480 /nfs/dbraw/zinc/35/94/80/563359480.db2.gz AXYPIUHKUONXRK-UHFFFAOYSA-N 0 0 348.185 4.526 50 0 EJAARN O=C(NCc1cccc(C(F)(F)F)c1)Nc1cccc(Cl)c1 ZINC000000619168 563360975 /nfs/dbraw/zinc/36/09/75/563360975.db2.gz XBPVHSMJERLDDE-UHFFFAOYSA-N 0 0 328.721 4.681 50 0 EJAARN COc1cccc(NC(=S)Nc2ccc(Cl)cc2Cl)c1 ZINC000000619274 563361002 /nfs/dbraw/zinc/36/10/02/563361002.db2.gz PTLPZWRFWGOJBK-UHFFFAOYSA-N 0 0 327.236 4.811 50 0 EJAARN COc1ccc([C@@H](C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000000620018 563361363 /nfs/dbraw/zinc/36/13/63/563361363.db2.gz BJQBGEHEKBMOAC-MRXNPFEDSA-N 0 0 331.415 4.853 50 0 EJAARN COc1ccc(-c2nn(-c3ccccc3)c3nc(C)cc(C)c23)cc1 ZINC000000620248 563361631 /nfs/dbraw/zinc/36/16/31/563361631.db2.gz YADPYVGIBWSHQB-UHFFFAOYSA-N 0 0 329.403 4.713 50 0 EJAARN Cc1cc2nc(-c3cccc(NC(=O)c4cccnc4)c3)oc2cc1C ZINC000000848953 563364503 /nfs/dbraw/zinc/36/45/03/563364503.db2.gz WDDYTBFDSBSKOU-UHFFFAOYSA-N 0 0 343.386 4.759 50 0 EJAARN CCOc1ccc(C(=O)Nc2cccc(-c3csc(C)n3)c2)cc1 ZINC000001019661 563369010 /nfs/dbraw/zinc/36/90/10/563369010.db2.gz QSJCHRHNYCXXSM-UHFFFAOYSA-N 0 0 338.432 4.770 50 0 EJAARN Cc1ccc2nc(NC(=O)COc3c(C)cc(C)cc3C)sc2c1 ZINC000001061460 563371877 /nfs/dbraw/zinc/37/18/77/563371877.db2.gz OHCVPDRUUWWRJO-UHFFFAOYSA-N 0 0 340.448 4.547 50 0 EJAARN COc1ccc(C)c2c1C1=C(C2)C2=CCC[C@@H](OC(C)=O)[C@]2(C)CC1 ZINC000001068868 563372876 /nfs/dbraw/zinc/37/28/76/563372876.db2.gz RPIUTHWGJMGJLV-IFMALSPDSA-N 0 0 338.447 4.765 50 0 EJAARN COc1ccc(C)c2c1C1=C(C2)C2=CCC[C@H](OC(C)=O)[C@]2(C)CC1 ZINC000001068870 563372889 /nfs/dbraw/zinc/37/28/89/563372889.db2.gz RPIUTHWGJMGJLV-RBBKRZOGSA-N 0 0 338.447 4.765 50 0 EJAARN O=C(Cc1ccc(Cl)cc1)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000001164260 563376612 /nfs/dbraw/zinc/37/66/12/563376612.db2.gz IEGOXQQBZWGMSY-UHFFFAOYSA-N 0 0 349.817 4.752 50 0 EJAARN CCc1cc(=O)oc2cc(OCc3ccccc3C)c(Cl)cc12 ZINC000001164237 563376692 /nfs/dbraw/zinc/37/66/92/563376692.db2.gz SOKRDUUKEYWGSB-UHFFFAOYSA-N 0 0 328.795 4.896 50 0 EJAARN Cc1cc(C)nc(NC(=O)CC(c2ccccc2)c2ccccc2)c1 ZINC000001200969 563378853 /nfs/dbraw/zinc/37/88/53/563378853.db2.gz SHLZOULJAHDEAU-UHFFFAOYSA-N 0 0 330.431 4.859 50 0 EJAARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(C)cc1)SCC(=O)N2 ZINC000001279411 563382431 /nfs/dbraw/zinc/38/24/31/563382431.db2.gz ZAQBQKNSAJYYCM-IBGZPJMESA-N 0 0 349.459 4.913 50 0 EJAARN CN(C(=O)CSc1ccnc2cc(Cl)ccc21)c1ccccc1 ZINC000001427385 563388504 /nfs/dbraw/zinc/38/85/04/563388504.db2.gz AFSOPIOWTOBHIT-UHFFFAOYSA-N 0 0 342.851 4.643 50 0 EJAARN O=C(COc1cccc(Cl)c1Cl)Nc1cccc(Cl)c1 ZINC000001441010 563389210 /nfs/dbraw/zinc/38/92/10/563389210.db2.gz FNUOYVDLAXOBCF-UHFFFAOYSA-N 0 0 330.598 4.664 50 0 EJAARN CC(C)(c1ccc(C=O)o1)c1ccc(C(C)(C)c2ccc(C=O)o2)o1 ZINC000001618069 563397118 /nfs/dbraw/zinc/39/71/18/563397118.db2.gz PDHONJAMSMZDIB-UHFFFAOYSA-N 0 0 340.375 4.742 50 0 EJAARN Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001732154 563408268 /nfs/dbraw/zinc/40/82/68/563408268.db2.gz PXOAPXKYVHUJCO-UHFFFAOYSA-N 0 0 343.732 4.685 50 0 EJAARN CCCCOC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000001770721 563410221 /nfs/dbraw/zinc/41/02/21/563410221.db2.gz BWMULDVWQYUORZ-UHFFFAOYSA-N 0 0 331.799 4.920 50 0 EJAARN CCCOc1ccc(/C=C/C(=O)Nc2ccccc2OCC)cc1 ZINC000001777929 563411251 /nfs/dbraw/zinc/41/12/51/563411251.db2.gz MVMTXUKWFHAQHF-SDNWHVSQSA-N 0 0 325.408 4.526 50 0 EJAARN Cc1c(OC/C=C/c2ccccc2)ccc2c3c(c(=O)oc12)CCC3 ZINC000001797573 563412503 /nfs/dbraw/zinc/41/25/03/563412503.db2.gz CCQVIULESKKDJJ-RMKNXTFCSA-N 0 0 332.399 4.682 50 0 EJAARN CCCCC(=O)Nc1cc(C(=O)NC2CCCCC2)ccc1Cl ZINC000002073559 563421403 /nfs/dbraw/zinc/42/14/03/563421403.db2.gz KIQYUCSTUHGEBD-UHFFFAOYSA-N 0 0 336.863 4.531 50 0 EJAARN Cc1cc(Cl)ccc1OCCCC(=O)N1CCCc2ccccc21 ZINC000002080196 563421972 /nfs/dbraw/zinc/42/19/72/563421972.db2.gz IGNMXUGQHJGRQL-UHFFFAOYSA-N 0 0 343.854 4.787 50 0 EJAARN CC(C)N(C(=O)c1ccc2cc(Br)ccc2c1)C(C)C ZINC000096028332 563422390 /nfs/dbraw/zinc/42/23/90/563422390.db2.gz QZZJRLCHOQUOLK-UHFFFAOYSA-N 0 0 334.257 4.861 50 0 EJAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000002168854 563425200 /nfs/dbraw/zinc/42/52/00/563425200.db2.gz LFKUJYIIONKBSK-UHFFFAOYSA-N 0 0 333.231 4.977 50 0 EJAARN CSc1ccc(CCC(=O)c2cccc(Br)c2)cc1 ZINC000002516656 563437341 /nfs/dbraw/zinc/43/73/41/563437341.db2.gz SXMFFEJNJLKDGN-UHFFFAOYSA-N 0 0 335.266 4.987 50 0 EJAARN Cc1nn2c(nc(C(C)C)cc2N2CCCCC2)c1-c1ccccc1 ZINC000002205455 563426924 /nfs/dbraw/zinc/42/69/24/563426924.db2.gz DANKBHNJXNIMBV-UHFFFAOYSA-N 0 0 334.467 4.818 50 0 EJAARN C[C@@H]1CC(C)(C)N2C(=O)[C@@]3(Nc4ccccc4S3)c3cccc1c32 ZINC000002352456 563430137 /nfs/dbraw/zinc/43/01/37/563430137.db2.gz BFQJGJYTDOYXDQ-MPBGBICISA-N 0 0 336.460 4.690 50 0 EJAARN O=C(c1cc2ccccc2oc1=O)N(c1ccccc1)c1ccccc1 ZINC000002464392 563432721 /nfs/dbraw/zinc/43/27/21/563432721.db2.gz KDTAGRJFAVDIJX-UHFFFAOYSA-N 0 0 341.366 4.772 50 0 EJAARN CC(=O)c1c(C)n(-c2ccccc2Br)c2ccc(O)cc12 ZINC000002474800 563433466 /nfs/dbraw/zinc/43/34/66/563433466.db2.gz WXYNPRXVWUKTPD-UHFFFAOYSA-N 0 0 344.208 4.610 50 0 EJAARN COc1ccc(-c2csc(Nc3ccc(N(C)C)cc3)n2)cc1 ZINC000002501570 563434507 /nfs/dbraw/zinc/43/45/07/563434507.db2.gz GSQCCBYWSCWWNX-UHFFFAOYSA-N 0 0 325.437 4.628 50 0 EJAARN O=C(c1cccc(Cl)c1Cl)c1ccccc1CN1CC=CC1 ZINC000002515910 563437109 /nfs/dbraw/zinc/43/71/09/563437109.db2.gz YBTVWKMREPUAKT-UHFFFAOYSA-N 0 0 332.230 4.596 50 0 EJAARN Nc1cc(-c2ccc(Cl)cc2)nn1-c1ccc(Br)cc1 ZINC000002532572 563439825 /nfs/dbraw/zinc/43/98/25/563439825.db2.gz ZPAQVDQEDAOJPJ-UHFFFAOYSA-N 0 0 348.631 4.537 50 0 EJAARN Nc1sc2c(c1C(=O)Nc1ccccc1Cl)CCCCCC2 ZINC000002558515 563441141 /nfs/dbraw/zinc/44/11/41/563441141.db2.gz BKDKANJLEJQQRF-UHFFFAOYSA-N 0 0 334.872 4.895 50 0 EJAARN Cc1cc(-c2ccccc2)nc2oc3c(ncnc3N3CCCCC3)c21 ZINC000002585229 563443617 /nfs/dbraw/zinc/44/36/17/563443617.db2.gz JOKTYLMRMFDQEV-UHFFFAOYSA-N 0 0 344.418 4.737 50 0 EJAARN CCCCC(=O)Nc1nn(CC(C)C)c2nc3cc(C)ccc3cc12 ZINC000002593413 563443894 /nfs/dbraw/zinc/44/38/94/563443894.db2.gz OPYACMIDRBCBPK-UHFFFAOYSA-N 0 0 338.455 4.678 50 0 EJAARN COc1ccc2nc(Nc3nc4cc(Cl)ccc4[nH]3)sc2c1 ZINC000034592343 563444787 /nfs/dbraw/zinc/44/47/87/563444787.db2.gz LOXKNMLEBJEOIC-UHFFFAOYSA-N 0 0 330.800 4.578 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4.622 50 0 EJAARN CC(C)Oc1cccc(-c2nc(C(=O)Nc3ccccc3)cs2)c1 ZINC000034712776 563451178 /nfs/dbraw/zinc/45/11/78/563451178.db2.gz FQXSEERHMMEJKO-UHFFFAOYSA-N 0 0 338.432 4.850 50 0 EJAARN CCCCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000002810439 563451651 /nfs/dbraw/zinc/45/16/51/563451651.db2.gz OJVYDIYGUSTBKS-QGZVFWFLSA-N 0 0 325.452 4.617 50 0 EJAARN O=C(NCCSc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 ZINC000002807486 563451656 /nfs/dbraw/zinc/45/16/56/563451656.db2.gz OYKNWHKOWRKSFH-UHFFFAOYSA-N 0 0 341.263 4.907 50 0 EJAARN Cc1ccc(CSCCNC(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000002815331 563452249 /nfs/dbraw/zinc/45/22/49/563452249.db2.gz ZHQADPHGFVVELF-DHZHZOJOSA-N 0 0 345.895 4.711 50 0 EJAARN Cc1cc(C)c(S(=O)(=O)Oc2ccc(Cl)cc2Cl)c(C)c1 ZINC000002835489 563453711 /nfs/dbraw/zinc/45/37/11/563453711.db2.gz RWYRIPGKFAFYRK-UHFFFAOYSA-N 0 0 345.247 4.686 50 0 EJAARN CCCSc1nc(=S)n(Cc2ccccc2)c(C)c1C(C)=O ZINC000002836624 563454000 /nfs/dbraw/zinc/45/40/00/563454000.db2.gz FETFOPLEWSNXRR-UHFFFAOYSA-N 0 0 332.494 4.674 50 0 EJAARN Cc1cc(Cl)c(OCCN2CCCCCC2)c(Br)c1 ZINC000002839079 563454321 /nfs/dbraw/zinc/45/43/21/563454321.db2.gz IRNRKQPPVIPPNJ-UHFFFAOYSA-N 0 0 346.696 4.666 50 0 EJAARN O=C(NCCSCc1ccco1)c1ccc(-c2ccccc2)cc1 ZINC000002842896 563454993 /nfs/dbraw/zinc/45/49/93/563454993.db2.gz DXTJFWUSKLYVPQ-UHFFFAOYSA-N 0 0 337.444 4.610 50 0 EJAARN Cc1c2ccccc2oc1C(=O)Nc1nc2ccc(F)cc2s1 ZINC000002875253 563459751 /nfs/dbraw/zinc/45/97/51/563459751.db2.gz YIXRNXQJNUXLCB-UHFFFAOYSA-N 0 0 326.352 4.742 50 0 EJAARN CCCCc1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)cc1 ZINC000002876482 563459772 /nfs/dbraw/zinc/45/97/72/563459772.db2.gz HKHIPZGACIRMDH-UHFFFAOYSA-N 0 0 337.872 4.625 50 0 EJAARN Cc1ccc(-c2nnc3sc(-c4cc5ccccc5o4)nn32)cc1 ZINC000002876101 563459775 /nfs/dbraw/zinc/45/97/75/563459775.db2.gz AFLBKMPJNKRBIH-UHFFFAOYSA-N 0 0 332.388 4.574 50 0 EJAARN Cc1nc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2nc1C ZINC000002880974 563460824 /nfs/dbraw/zinc/46/08/24/563460824.db2.gz IJJQWVYDRKJXDC-UHFFFAOYSA-N 0 0 345.324 4.518 50 0 EJAARN CCCCSc1nnc2c(n1)OC1(CCCC1)Nc1ccccc1-2 ZINC000002882559 563461122 /nfs/dbraw/zinc/46/11/22/563461122.db2.gz RHRZZAPYAUJHEH-UHFFFAOYSA-N 0 0 342.468 4.505 50 0 biogenic EJAARN O=C(Nc1cccc(Cl)c1)OCCOc1ccccc1Cl ZINC000002893379 563462409 /nfs/dbraw/zinc/46/24/09/563462409.db2.gz QSMWUBBXBPCZBS-UHFFFAOYSA-N 0 0 326.179 4.621 50 0 EJAARN COc1ccc(OCCCOc2cccc(Cl)c2Cl)cc1 ZINC000002904756 563462778 /nfs/dbraw/zinc/46/27/78/563462778.db2.gz PBHXBHQDYXTMNJ-UHFFFAOYSA-N 0 0 327.207 4.850 50 0 EJAARN Cc1ccc(C)c(NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(Cl)Cl)c1 ZINC000002906939 563463055 /nfs/dbraw/zinc/46/30/55/563463055.db2.gz FIEOVIRMGLLWCZ-CVEARBPZSA-N 0 0 334.246 4.829 50 0 EJAARN Cc1ccc(Cc2cnc(NC(=O)c3ccccc3Cl)s2)cc1 ZINC000002906110 563463075 /nfs/dbraw/zinc/46/30/75/563463075.db2.gz XOORPTRHWLIQOU-UHFFFAOYSA-N 0 0 342.851 4.948 50 0 EJAARN O=C(Nc1c(F)c(F)c(F)c(F)c1F)C12CC3CC(CC(C3)C1)C2 ZINC000002951362 563464323 /nfs/dbraw/zinc/46/43/23/563464323.db2.gz RTHDIJQPZOWDCT-UHFFFAOYSA-N 0 0 345.311 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O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(Cc2ccncc2)cc1 ZINC000005073200 563520564 /nfs/dbraw/zinc/52/05/64/563520564.db2.gz ALPOGTVZQUFFDE-BJMVGYQFSA-N 0 0 348.833 4.978 50 0 EJAARN O=C(CC12CC3CC(CC(C3)C1)C2)NC1C2CC3CC(C2)CC1C3 ZINC000005065155 563520603 /nfs/dbraw/zinc/52/06/03/563520603.db2.gz PGLPCNUXNQWWCY-UHFFFAOYSA-N 0 0 327.512 4.534 50 0 EJAARN c1coc(-c2oc3ncnc(Nc4ccccn4)c3c2-c2ccco2)c1 ZINC000005345848 563527691 /nfs/dbraw/zinc/52/76/91/563527691.db2.gz CHXICWCCFAEJDJ-UHFFFAOYSA-N 0 0 344.330 4.881 50 0 EJAARN COc1ccc(C(=O)Nc2ccc3c(c2)ncn3C2CCCCC2)cc1 ZINC000005451380 563533121 /nfs/dbraw/zinc/53/31/21/563533121.db2.gz CXXBNYIQZDRRBQ-UHFFFAOYSA-N 0 0 349.434 4.802 50 0 EJAARN O=C(Nc1ccc2c(c1)ncn2CCc1ccccc1)c1cccs1 ZINC000005452186 563533145 /nfs/dbraw/zinc/53/31/45/563533145.db2.gz QOKBKXPCMQFXNT-UHFFFAOYSA-N 0 0 347.443 4.593 50 0 EJAARN CCCCN(CCCC)C(=O)COc1ccc(Cl)cc1Cl ZINC000005503396 563535689 /nfs/dbraw/zinc/53/56/89/563535689.db2.gz UQAXNOMZYMXOJO-UHFFFAOYSA-N 0 0 332.271 4.801 50 0 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/nfs/dbraw/zinc/63/80/50/563638050.db2.gz WPQXDIMEGMLFBL-UHFFFAOYSA-N 0 0 334.810 4.607 50 0 EJAARN S=C(NCCc1cccs1)Nc1ccc(Cl)cc1Cl ZINC000009483555 563644377 /nfs/dbraw/zinc/64/43/77/563644377.db2.gz WPGISTAVGIHTKF-UHFFFAOYSA-N 0 0 331.293 4.584 50 0 EJAARN Cc1cc2nc(NC(=O)c3ccc(OC(C)C)cc3)sc2c(C)c1 ZINC000004331423 563649644 /nfs/dbraw/zinc/64/96/44/563649644.db2.gz LHAOGORNDDSUKL-UHFFFAOYSA-N 0 0 340.448 4.953 50 0 EJAARN c1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2)cc1 ZINC000011565500 563649917 /nfs/dbraw/zinc/64/99/17/563649917.db2.gz GWMCPCJSFNYUTI-IFMALSPDSA-N 0 0 326.399 4.929 50 0 EJAARN COc1cccc(CNC(=O)c2oc3c(cc(C)cc3Cl)c2C)c1 ZINC000012091845 563653576 /nfs/dbraw/zinc/65/35/76/563653576.db2.gz MGSVMAOCBBNVAD-UHFFFAOYSA-N 0 0 343.810 4.642 50 0 EJAARN Fc1ccc(-c2n[nH]c(-c3ccc(F)cc3)c2Br)cc1 ZINC000012396983 563659761 /nfs/dbraw/zinc/65/97/61/563659761.db2.gz UFLCKVCWLKHKKI-UHFFFAOYSA-N 0 0 335.151 4.784 50 0 EJAARN CC[C@@H](O)c1nc2ccccc2n1CCCOc1ccc(C)c(C)c1 ZINC000012418924 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ZINC000012801496 563673784 /nfs/dbraw/zinc/67/37/84/563673784.db2.gz RRDJSELHSLXOIA-QHCPKHFHSA-N 0 0 345.442 4.670 50 0 EJAARN O=C(Nc1ccc(F)cc1)N[C@@H](c1cccs1)c1ccccc1 ZINC000012806574 563674391 /nfs/dbraw/zinc/67/43/91/563674391.db2.gz YEIFQJDIFPQYOA-QGZVFWFLSA-N 0 0 326.396 4.798 50 0 EJAARN O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000012821029 563675279 /nfs/dbraw/zinc/67/52/79/563675279.db2.gz JNPMMVXVDFOMJD-UHFFFAOYSA-N 0 0 331.375 4.583 50 0 EJAARN CCOc1cc2ccccc2cc1C(=O)Nc1ccc2oc(C)nc2c1 ZINC000012922626 563677436 /nfs/dbraw/zinc/67/74/36/563677436.db2.gz ZOFLWHVAJANCDV-UHFFFAOYSA-N 0 0 346.386 4.940 50 0 EJAARN CC(C)c1cc(C(=O)N2CCc3ccccc3C2)c2ccccc2n1 ZINC000012977450 563680871 /nfs/dbraw/zinc/68/08/71/563680871.db2.gz HFFIFROUSFKWNL-UHFFFAOYSA-N 0 0 330.431 4.557 50 0 EJAARN COc1ccc(CCC2CCN(C(=O)Nc3ccccc3)CC2)cc1 ZINC000013000528 563684516 /nfs/dbraw/zinc/68/45/16/563684516.db2.gz QZOXQSTUAUSANG-UHFFFAOYSA-N 0 0 338.451 4.572 50 0 EJAARN 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CCc1ccc(O[C@H](C)C(=O)Nc2cccc3ccc(C)nc32)cc1 ZINC000015835294 563794108 /nfs/dbraw/zinc/79/41/08/563794108.db2.gz MEGHVUYAZMGPKW-OAHLLOKOSA-N 0 0 334.419 4.512 50 0 EJAARN Cc1cccc(C)c1NC(=O)C1=Cc2cc(Cl)ccc2OC=C1 ZINC000015838571 563794881 /nfs/dbraw/zinc/79/48/81/563794881.db2.gz TUAZKVMLVZPLQJ-UHFFFAOYSA-N 0 0 325.795 4.885 50 0 EJAARN Cc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)c2cccnc2)cc1 ZINC000015839899 563795106 /nfs/dbraw/zinc/79/51/06/563795106.db2.gz JVBBQGFMGOULOR-LJQANCHMSA-N 0 0 336.822 4.563 50 0 EJAARN COc1cccc(CNC(=O)N2CCCCC[C@H]2c2cccs2)c1 ZINC000015867130 563798653 /nfs/dbraw/zinc/79/86/53/563798653.db2.gz SGNIWQJAHYJMHY-KRWDZBQOSA-N 0 0 344.480 4.584 50 0 EJAARN O=C(NCc1ccc(F)cc1)N1CCCCC[C@@H]1c1cccs1 ZINC000015867145 563798912 /nfs/dbraw/zinc/79/89/12/563798912.db2.gz YTXDUEANWMMRJX-MRXNPFEDSA-N 0 0 332.444 4.714 50 0 EJAARN O=C(CCc1ccc(-c2ccc(F)cc2)o1)Nc1ccccc1F ZINC000015867355 563799001 /nfs/dbraw/zinc/79/90/01/563799001.db2.gz ZHJYATZVBSLKNG-UHFFFAOYSA-N 0 0 327.330 4.796 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332.812 4.926 50 0 EJAARN CCCCSc1ccc(NS(=O)(=O)c2ccc(CC)cc2)cc1 ZINC000016639453 563818437 /nfs/dbraw/zinc/81/84/37/563818437.db2.gz KMIGJLSNZBTESU-UHFFFAOYSA-N 0 0 349.521 4.942 50 0 EJAARN CCOC(=O)c1cccnc1Sc1cc(Cl)ccc1Cl ZINC000032923993 563825311 /nfs/dbraw/zinc/82/53/11/563825311.db2.gz QIKIWTWKAXZMLS-UHFFFAOYSA-N 0 0 328.220 4.716 50 0 EJAARN O=C(Nc1nnc(-c2ccccc2Cl)s1)Nc1ccccc1F ZINC000016944254 563826469 /nfs/dbraw/zinc/82/64/69/563826469.db2.gz GGNQTHQVZFXARH-UHFFFAOYSA-N 0 0 348.790 4.642 50 0 EJAARN CCCOc1ccc(-c2nnc(NC(=O)C3CCCCC3)s2)cc1 ZINC000017056877 563830258 /nfs/dbraw/zinc/83/02/58/563830258.db2.gz AULSVKKBTOIJEW-UHFFFAOYSA-N 0 0 345.468 4.513 50 0 EJAARN Cc1ccc(-c2cc(C(=O)N3CCCC3)c3cc(Cl)ccc3n2)o1 ZINC000017071322 563834218 /nfs/dbraw/zinc/83/42/18/563834218.db2.gz SJILWDKDYOHZQP-UHFFFAOYSA-N 0 0 340.810 4.693 50 0 EJAARN Cc1ccc(NC(=O)Nc2nnc(-c3ccc(C)c(C)c3)s2)cc1 ZINC000017180472 563839831 /nfs/dbraw/zinc/83/98/31/563839831.db2.gz MTCZYJGUMQETRI-UHFFFAOYSA-N 0 0 338.436 4.774 50 0 EJAARN Cc1cnc(N2C(=O)CS[C@@H]2c2cccc(Cl)c2Cl)s1 ZINC000017198068 563840269 /nfs/dbraw/zinc/84/02/69/563840269.db2.gz AIPHTRVOWQSLOL-GFCCVEGCSA-N 0 0 345.276 4.537 50 0 EJAARN Cc1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc(Cl)cc23)cc1C ZINC000000427428 563843435 /nfs/dbraw/zinc/84/34/35/563843435.db2.gz XRCXRMBWMXFTPJ-LPHOPBHVSA-N 0 0 342.826 4.726 50 0 EJAARN COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000018175822 563850371 /nfs/dbraw/zinc/85/03/71/563850371.db2.gz CXLNWCZPHHMXAP-QGZVFWFLSA-N 0 0 330.815 4.718 50 0 EJAARN Cc1[nH]c2ccccc2c1/C=C1\SC(=O)N(c2ccccc2)C1=O ZINC000018272509 563851982 /nfs/dbraw/zinc/85/19/82/563851982.db2.gz HOUPQUGINYTGEV-BOPFTXTBSA-N 0 0 334.400 4.717 50 0 EJAARN Cl/C(=C\c1ccccc1)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000019633985 563856146 /nfs/dbraw/zinc/85/61/46/563856146.db2.gz YIYDSSGHGUNHMU-AQTBWJFISA-N 0 0 347.289 4.742 50 0 EJAARN Cc1cccc(N2CCN(C/C(Cl)=C/c3ccccc3)CC2)c1C ZINC000019634367 563856277 /nfs/dbraw/zinc/85/62/77/563856277.db2.gz JEUYUTGJWSRGLP-HKWRFOASSA-N 0 0 340.898 4.705 50 0 EJAARN Cc1ccc(C(=O)c2sc(Nc3cccc(Cl)c3)nc2N)cc1 ZINC000032947624 563864353 /nfs/dbraw/zinc/86/43/53/563864353.db2.gz JUSWSQUKRQHAOH-UHFFFAOYSA-N 0 0 343.839 4.662 50 0 EJAARN Cc1cccc(Nc2nc(N)c(C(=O)c3ccccc3Cl)s2)c1 ZINC000032947596 563864375 /nfs/dbraw/zinc/86/43/75/563864375.db2.gz UIXPMWXWMFGYDM-UHFFFAOYSA-N 0 0 343.839 4.662 50 0 EJAARN Fc1ccc(-c2nc(CN3CCC[C@H]3c3cccs3)co2)cc1 ZINC000024433785 563871325 /nfs/dbraw/zinc/87/13/25/563871325.db2.gz FHYYMSZUMRKRAI-INIZCTEOSA-N 0 0 328.412 4.879 50 0 EJAARN Cc1occc1C(=O)Nc1ncc(Cc2cccc(C)c2Cl)s1 ZINC000024831232 563876259 /nfs/dbraw/zinc/87/62/59/563876259.db2.gz LHBIJCZTDODNTL-UHFFFAOYSA-N 0 0 346.839 4.849 50 0 EJAARN Cc1c(C(=O)Nc2ccc3ccccc3c2)cnn1-c1cccc(C)c1 ZINC000024864458 563876966 /nfs/dbraw/zinc/87/69/66/563876966.db2.gz HQWQXCDQNCKWSB-UHFFFAOYSA-N 0 0 341.414 4.895 50 0 EJAARN COCc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)cc1 ZINC000024965808 563878485 /nfs/dbraw/zinc/87/84/85/563878485.db2.gz SSHPDWKQYCGKDT-GOSISDBHSA-N 0 0 331.843 4.614 50 0 EJAARN CCCC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000025180169 563881926 /nfs/dbraw/zinc/88/19/26/563881926.db2.gz JBIAXUKJWNFQHL-MRXNPFEDSA-N 0 0 340.854 4.870 50 0 EJAARN Cc1cc(-c2csc(-c3ccco3)n2)c(C)n1-c1nccs1 ZINC000025204601 563882301 /nfs/dbraw/zinc/88/23/01/563882301.db2.gz IRBZENLNTJBHRE-UHFFFAOYSA-N 0 0 327.434 4.934 50 0 EJAARN Cc1nc2ccc(Cl)cc2cc1C(=O)N[C@H](C)c1ccccc1F ZINC000025957934 563889573 /nfs/dbraw/zinc/88/95/73/563889573.db2.gz NCSQJWOSABOSLH-LLVKDONJSA-N 0 0 342.801 4.827 50 0 EJAARN COc1ccccc1C(=O)CSc1nc(-c2ccccc2)cs1 ZINC000026040066 563889586 /nfs/dbraw/zinc/88/95/86/563889586.db2.gz PQXAJBZIRNKOSN-UHFFFAOYSA-N 0 0 341.457 4.794 50 0 EJAARN Cc1cccc(NC(=O)c2c3ccccc3nnc2-c2ccccc2)c1 ZINC000032953257 563895060 /nfs/dbraw/zinc/89/50/60/563895060.db2.gz GYFRXJGBWUJFSP-UHFFFAOYSA-N 0 0 339.398 4.858 50 0 EJAARN C[C@@H](Sc1nccn1-c1ccccc1)C(=O)c1c[nH]c2ccccc21 ZINC000027487860 563896190 /nfs/dbraw/zinc/89/61/90/563896190.db2.gz OTTCEJGNFBDJQM-CQSZACIVSA-N 0 0 347.443 4.717 50 0 EJAARN CCOc1ccccc1C(=O)Nc1cc(-c2ccc(Cl)cc2)no1 ZINC000027662967 563898364 /nfs/dbraw/zinc/89/83/64/563898364.db2.gz OXRSOBHOFKMPIV-UHFFFAOYSA-N 0 0 342.782 4.646 50 0 EJAARN CCCCCOc1ccc(C(=O)Nc2onc3c2C[C@@H](C)CC3)cc1 ZINC000027794543 563899776 /nfs/dbraw/zinc/89/97/76/563899776.db2.gz FOAWSMINMCTBSR-AWEZNQCLSA-N 0 0 342.439 4.621 50 0 EJAARN Cc1cc(C)cc(-n2ccnc2S[C@@H](C)c2nc(C(C)C)no2)c1 ZINC000027810954 563899875 /nfs/dbraw/zinc/89/98/75/563899875.db2.gz DGAWRKJBNGKHAR-AWEZNQCLSA-N 0 0 342.468 4.849 50 0 EJAARN CCCSc1ncc(Cl)c(-c2nnc(-c3ccc(C)cc3)o2)n1 ZINC000027995597 563901115 /nfs/dbraw/zinc/90/11/15/563901115.db2.gz BLFCFKQICAFZLX-UHFFFAOYSA-N 0 0 346.843 4.658 50 0 EJAARN O=C(c1ccc(Cl)cc1)N(Cc1cccc(F)c1)c1ccccn1 ZINC000028292143 563902303 /nfs/dbraw/zinc/90/23/03/563902303.db2.gz ISNYALMGFBJYMQ-UHFFFAOYSA-N 0 0 340.785 4.721 50 0 EJAARN CCOc1ccc2oc(C(=O)N[C@H]3CCCc4ccccc43)c(C)c2c1 ZINC000032958335 563903085 /nfs/dbraw/zinc/90/30/85/563903085.db2.gz LJACCWHVYAENKJ-IBGZPJMESA-N 0 0 349.430 4.947 50 0 EJAARN CC[C@H](NC(=O)c1ccccc1OC(F)F)c1ccc(Cl)cc1 ZINC000028617144 563903514 /nfs/dbraw/zinc/90/35/14/563903514.db2.gz IDJCYMBZBDEGJN-AWEZNQCLSA-N 0 0 339.769 4.823 50 0 EJAARN CS[C@H](C)c1cccc(NC(=O)N[C@H](C)c2c(C)noc2C)c1 ZINC000072283390 563905944 /nfs/dbraw/zinc/90/59/44/563905944.db2.gz OBTXRHLOSAHQOR-ZWNOBZJWSA-N 0 0 333.457 4.598 50 0 EJAARN CC(=O)c1cccc(NC(=O)N[C@@H](c2ccc(C)o2)C(C)(C)C)c1 ZINC000072284980 563906313 /nfs/dbraw/zinc/90/63/13/563906313.db2.gz JSSHCESTAHVUSV-KRWDZBQOSA-N 0 0 328.412 4.700 50 0 EJAARN O=C(NC1CCCC1)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000029568952 563907439 /nfs/dbraw/zinc/90/74/39/563907439.db2.gz SIODCRWUWHGDEI-UHFFFAOYSA-N 0 0 325.374 4.576 50 0 EJAARN CC(C)(C)c1nc(CN2CCC(C(=O)c3ccccc3)CC2)cs1 ZINC000029718207 563908028 /nfs/dbraw/zinc/90/80/28/563908028.db2.gz UNJXKIHKCUGLIL-UHFFFAOYSA-N 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/nfs/dbraw/zinc/91/73/09/563917309.db2.gz YNCYFOSCYNTRPV-UHFFFAOYSA-N 0 0 341.418 4.501 50 0 EJAARN S=C(Nc1ccc2ccccc2c1)Nc1ccc2nccnc2c1 ZINC000000445273 563917437 /nfs/dbraw/zinc/91/74/37/563917437.db2.gz VTEXZMCDILKNFK-UHFFFAOYSA-N 0 0 330.416 4.592 50 0 EJAARN Cc1ccn2cc(-c3cccc(NC(=O)c4ccccc4)c3)nc2c1 ZINC000000443199 563917468 /nfs/dbraw/zinc/91/74/68/563917468.db2.gz JXHUSSOKWKSKKA-UHFFFAOYSA-N 0 0 327.387 4.562 50 0 EJAARN CN(C)c1ccc([C@@H](CC(=O)c2ccccc2)[C@@H]2CCCCC2=O)cc1 ZINC000000458729 563917481 /nfs/dbraw/zinc/91/74/81/563917481.db2.gz QLISHXSSZNUPKS-LEWJYISDSA-N 0 0 349.474 4.869 50 0 EJAARN O=C(Nc1ccnn1C1CCCCC1)c1cc(F)c(F)cc1Cl ZINC000032969277 563920105 /nfs/dbraw/zinc/92/01/05/563920105.db2.gz QSAGKTLPMYFKQJ-UHFFFAOYSA-N 0 0 339.773 4.572 50 0 EJAARN CC(C)c1ccc(N2C(=O)CC(c3ccc(Cl)cc3)CC2=O)cc1 ZINC000032985384 563920699 /nfs/dbraw/zinc/92/06/99/563920699.db2.gz XPOSPMFTNITLMN-UHFFFAOYSA-N 0 0 341.838 4.901 50 0 EJAARN CC(=O)Nc1ccc(OC(=O)c2sccc2-c2ccccc2)cc1 ZINC000032988071 563920874 /nfs/dbraw/zinc/92/08/74/563920874.db2.gz HFXMIVKSNXEDIA-UHFFFAOYSA-N 0 0 337.400 4.593 50 0 EJAARN Cc1csc(-c2ccc(CNC(=O)/C=C/c3cccs3)cc2)n1 ZINC000097938060 563922694 /nfs/dbraw/zinc/92/26/94/563922694.db2.gz LATBBZSFRBXXDF-CMDGGOBGSA-N 0 0 340.473 4.510 50 0 EJAARN CC[C@@H](C)Sc1ccc(NC(=O)[C@H]2CCOC2)c(C(F)(F)F)c1 ZINC000060306419 563924761 /nfs/dbraw/zinc/92/47/61/563924761.db2.gz SXCDAEOTHDUENZ-MNOVXSKESA-N 0 0 347.402 4.571 50 0 EJAARN CCOC(=O)c1sc2ccc(C(F)(F)F)cc2c1-n1cccc1 ZINC000044676333 563926506 /nfs/dbraw/zinc/92/65/06/563926506.db2.gz CZBMKRLZQVXKQG-UHFFFAOYSA-N 0 0 339.338 4.888 50 0 EJAARN Cc1cc(C)n(-c2ccc(S[C@@H](C)c3ccccc3Cl)nn2)n1 ZINC000011140478 563932447 /nfs/dbraw/zinc/93/24/47/563932447.db2.gz KYQCBKAACJFIFO-ZDUSSCGKSA-N 0 0 344.871 4.786 50 0 EJAARN COc1ccccc1CN(Cc1sccc1C)Cc1cccnc1 ZINC000055370212 563934599 /nfs/dbraw/zinc/93/45/99/563934599.db2.gz DTLNTKYWJIHQAM-UHFFFAOYSA-N 0 0 338.476 4.663 50 0 EJAARN COc1cccc(NC(=O)CS[C@H](C)c2ccccc2Cl)c1 ZINC000033047579 563934995 /nfs/dbraw/zinc/93/49/95/563934995.db2.gz HKLPTHHQDASADE-GFCCVEGCSA-N 0 0 335.856 4.782 50 0 EJAARN Cc1csc(-c2ccc(C(=O)N(C)Cc3ccccc3C)cc2)n1 ZINC000058141637 563937718 /nfs/dbraw/zinc/93/77/18/563937718.db2.gz UUMZZTUNLRIWHO-UHFFFAOYSA-N 0 0 336.460 4.699 50 0 EJAARN CCOc1ccccc1CCC(=O)N(C)c1cccc2ccccc21 ZINC000058156694 563937999 /nfs/dbraw/zinc/93/79/99/563937999.db2.gz NMKBIRYNWDDRQN-UHFFFAOYSA-N 0 0 333.431 4.834 50 0 EJAARN CCN(C(=O)Nc1ccc(C)c(NC(=O)N(CC)C(C)C)c1)C(C)C ZINC000058162467 563938512 /nfs/dbraw/zinc/93/85/12/563938512.db2.gz GGKFMOZGQBRDPT-UHFFFAOYSA-N 0 0 348.491 4.519 50 0 EJAARN CC(C)[C@H](C)NC(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000058171966 563938843 /nfs/dbraw/zinc/93/88/43/563938843.db2.gz WEJZORKEUJBNFZ-ZDUSSCGKSA-N 0 0 349.450 4.511 50 0 EJAARN CC(C)C[C@H](C)N(C(=O)CC[C@H]1CCCO1)c1ccc2[nH]ccc2c1 ZINC000058179207 563939171 /nfs/dbraw/zinc/93/91/71/563939171.db2.gz NSUGBXBZVOGISE-QFBILLFUSA-N 0 0 342.483 4.895 50 0 EJAARN C[C@H](NCc1nnc(-c2ccccc2Cl)o1)c1ccccc1Cl ZINC000058342646 563942993 /nfs/dbraw/zinc/94/29/93/563942993.db2.gz GMWUXKTYCOGRER-NSHDSACASA-N 0 0 348.233 4.894 50 0 EJAARN COc1ccccc1OC(=O)c1ccc2noc(-c3ccccc3)c2c1 ZINC000058356581 563943537 /nfs/dbraw/zinc/94/35/37/563943537.db2.gz UTLYYPPQWJIYAJ-UHFFFAOYSA-N 0 0 345.354 4.723 50 0 EJAARN O=C(CCc1cccc(OC2CCCC2)c1)NC1CCCCCC1 ZINC000058406901 563945175 /nfs/dbraw/zinc/94/51/75/563945175.db2.gz PIEDNNIJSRLOGI-UHFFFAOYSA-N 0 0 329.484 4.780 50 0 EJAARN O=C(Nc1ccc(Cl)cc1Cl)N1CCC(n2cccc2)CC1 ZINC000058601474 563946921 /nfs/dbraw/zinc/94/69/21/563946921.db2.gz YCBYPUUANNPHAP-UHFFFAOYSA-N 0 0 338.238 4.664 50 0 EJAARN O=C(CCC1CCCCC1)Nc1cc(N2CCCC2=O)ccc1Cl ZINC000058788108 563947259 /nfs/dbraw/zinc/94/72/59/563947259.db2.gz WTOXLTUSMNOHPI-UHFFFAOYSA-N 0 0 348.874 4.766 50 0 EJAARN CN(Cc1ccccn1)C(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000059923786 563949443 /nfs/dbraw/zinc/94/94/43/563949443.db2.gz NMCMMOIYPRWYJU-OAHLLOKOSA-N 0 0 342.508 4.566 50 0 EJAARN Cc1cc(C)n(-c2ccc(C(=O)N(C)c3cccc(C(C)C)c3)cc2)n1 ZINC000060064167 563949580 /nfs/dbraw/zinc/94/95/80/563949580.db2.gz LYHYCKCMEMPDCS-UHFFFAOYSA-N 0 0 347.462 4.889 50 0 EJAARN CC[C@H]1CN(CC(=O)Nc2cccc(C)c2C)c2ccccc2S1 ZINC000033059308 563951723 /nfs/dbraw/zinc/95/17/23/563951723.db2.gz KCWPYDLMKTUTTP-INIZCTEOSA-N 0 0 340.492 4.633 50 0 EJAARN C[C@H](Sc1ncc[nH]1)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000096465973 563954272 /nfs/dbraw/zinc/95/42/72/563954272.db2.gz JDZFOHWHHRUGKB-ZETCQYMHSA-N 0 0 341.223 4.620 50 0 EJAARN Cc1nnc(CS[C@H](c2ccccc2)c2ccc(F)c(F)c2)o1 ZINC000096467870 563954391 /nfs/dbraw/zinc/95/43/91/563954391.db2.gz BFYUWLNTIBBRFK-QGZVFWFLSA-N 0 0 332.375 4.679 50 0 EJAARN CC(C)n1cc2cc(C(=O)NCCc3ccc(Cl)cc3)sc2c1 ZINC000097944842 563956497 /nfs/dbraw/zinc/95/64/97/563956497.db2.gz HFBAHYAWSDYBLR-UHFFFAOYSA-N 0 0 346.883 4.910 50 0 EJAARN Cc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc(C)cc2)s1 ZINC000064983863 563957255 /nfs/dbraw/zinc/95/72/55/563957255.db2.gz AZBMBCIPSIAWKK-KRWDZBQOSA-N 0 0 349.521 4.671 50 0 EJAARN CCCc1cc([C@@H]2CCCN2C(=O)Nc2cccc(C)c2C)no1 ZINC000064984602 563957640 /nfs/dbraw/zinc/95/76/40/563957640.db2.gz WPEGAJYSNQTNLP-SFHVURJKSA-N 0 0 327.428 4.613 50 0 EJAARN Cc1cccc(NC(=O)N2CCC[C@H]2c2cc(C(C)C)on2)c1C ZINC000064984601 563957652 /nfs/dbraw/zinc/95/76/52/563957652.db2.gz CMZJTVRUIGQBCR-KRWDZBQOSA-N 0 0 327.428 4.784 50 0 EJAARN CC(C)c1cc([C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)on1 ZINC000064985006 563957865 /nfs/dbraw/zinc/95/78/65/563957865.db2.gz IQIYDKKYXBQKKM-OAHLLOKOSA-N 0 0 333.819 4.820 50 0 EJAARN Cc1cc(Br)c(C)c(Br)c1Br ZINC000065337317 563958070 /nfs/dbraw/zinc/95/80/70/563958070.db2.gz RHEOGFMVFVUFRG-UHFFFAOYSA-N 0 0 342.856 4.591 50 0 EJAARN Cc1ccc(Nc2ccc(NC(=O)Nc3cccc(C)c3C)cc2)nn1 ZINC000065362405 563958186 /nfs/dbraw/zinc/95/81/86/563958186.db2.gz XLFRHSBNJIVBLO-UHFFFAOYSA-N 0 0 347.422 4.789 50 0 EJAARN FC(F)(F)c1ccc(Cn2cnc(-c3ccccc3)c2C2CC2)cn1 ZINC000065380326 563958927 /nfs/dbraw/zinc/95/89/27/563958927.db2.gz SLBHKCXRQAUBSF-UHFFFAOYSA-N 0 0 343.352 4.890 50 0 EJAARN FCCn1cnc(-c2ccccc2)c1-c1ccccc1OC(F)F ZINC000065381542 563959039 /nfs/dbraw/zinc/95/90/39/563959039.db2.gz SISOXJKEUNXBLJ-UHFFFAOYSA-N 0 0 332.325 4.788 50 0 EJAARN Cc1cccc(CN(C(=O)C2(c3ccccc3F)CC2)C(C)C)c1 ZINC000065394242 563959557 /nfs/dbraw/zinc/95/95/57/563959557.db2.gz GWHWRCZIQRBABL-UHFFFAOYSA-N 0 0 325.427 4.603 50 0 EJAARN Cc1cc(C)n(C[C@@H](C)n2cnc(-c3ccccc3)c2-c2ccoc2)n1 ZINC000065409309 563960400 /nfs/dbraw/zinc/96/04/00/563960400.db2.gz HGUUFPDEPSKCIQ-QGZVFWFLSA-N 0 0 346.434 4.885 50 0 EJAARN CCc1ccccc1-c1c(-c2ccccc2)ncn1CC[C@@H](C)CO ZINC000065424441 563960634 /nfs/dbraw/zinc/96/06/34/563960634.db2.gz NNXCZQVQJPGTNJ-QGZVFWFLSA-N 0 0 334.463 4.798 50 0 EJAARN CCc1noc([C@@H](C)n2cnc(-c3ccccc3)c2-c2ccc(C)o2)n1 ZINC000065465386 563961281 /nfs/dbraw/zinc/96/12/81/563961281.db2.gz OELDGNMLVWZSAN-CQSZACIVSA-N 0 0 348.406 4.673 50 0 EJAARN C[C@H](c1ccco1)n1cnc(-c2ccccc2)c1-c1ccc(CO)o1 ZINC000065490408 563961533 /nfs/dbraw/zinc/96/15/33/563961533.db2.gz JYRLPMLOOUYKEQ-CQSZACIVSA-N 0 0 334.375 4.505 50 0 EJAARN Cc1oc(-c2ccccc2)nc1C(=O)OCc1cccc2cccnc21 ZINC000011215313 563962321 /nfs/dbraw/zinc/96/23/21/563962321.db2.gz VJCZMZPHDMFUNS-UHFFFAOYSA-N 0 0 344.370 4.555 50 0 EJAARN C[C@H](SC/C=C\c1ccccc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000096809638 563962523 /nfs/dbraw/zinc/96/25/23/563962523.db2.gz IGHWYDBSUYRWIL-UJZCVKTISA-N 0 0 333.403 4.738 50 0 EJAARN CCN(CC)c1cc(C)c2cc(NC(=O)c3ccc(C)cc3)ccc2n1 ZINC000033084681 563963431 /nfs/dbraw/zinc/96/34/31/563963431.db2.gz OUFBJSLQRMCAIP-UHFFFAOYSA-N 0 0 347.462 4.950 50 0 EJAARN COc1cc(C)nc2ccc(NC(=O)Nc3ccc(C)c(C)c3)cc21 ZINC000033129285 563963625 /nfs/dbraw/zinc/96/36/25/563963625.db2.gz BXAIWANAVJKZSZ-UHFFFAOYSA-N 0 0 335.407 4.813 50 0 EJAARN CCc1nn2c(nccc2-c2cccc(OC)c2)c1-c1ccc(F)cc1 ZINC000071384895 563964235 /nfs/dbraw/zinc/96/42/35/563964235.db2.gz MAUGFTVUOJMSMW-UHFFFAOYSA-N 0 0 347.393 4.773 50 0 EJAARN O=C(NCc1ccccc1)c1ccc(-c2csc(C3CC3)n2)cc1 ZINC000033171363 563964446 /nfs/dbraw/zinc/96/44/46/563964446.db2.gz IFRFDJVSDIBXML-UHFFFAOYSA-N 0 0 334.444 4.618 50 0 EJAARN CC(C)c1ccc(C(=O)Nc2nnc(-c3cccs3)s2)cc1 ZINC000004695008 563964558 /nfs/dbraw/zinc/96/45/58/563964558.db2.gz UKVYBQZHOCNNNE-UHFFFAOYSA-N 0 0 329.450 4.642 50 0 EJAARN O=C(Nc1nnc(/C=C/c2ccc(Cl)cc2)s1)C1CCCCC1 ZINC000004695028 563964588 /nfs/dbraw/zinc/96/45/88/563964588.db2.gz GSTZECIRUBVVOA-DHZHZOJOSA-N 0 0 347.871 4.881 50 0 EJAARN Cc1c2cc(C)ccc2oc1-c1nccn1[C@H](C)Cc1cnccn1 ZINC000071746820 563964970 /nfs/dbraw/zinc/96/49/70/563964970.db2.gz KFKBEDOTGXELJN-CQSZACIVSA-N 0 0 332.407 4.507 50 0 EJAARN CC(C)(C)n1ccc(C(=O)N2CCC[C@H](CCc3ccccc3)C2)c1 ZINC000071759481 563965313 /nfs/dbraw/zinc/96/53/13/563965313.db2.gz KHXCJWZSFPNABW-LJQANCHMSA-N 0 0 338.495 4.728 50 0 EJAARN COc1ccc2c(c1)CCC1=C2CC[C@]2(C)[C@H](OC(C)=O)CC[C@H]12 ZINC000071770705 563965644 /nfs/dbraw/zinc/96/56/44/563965644.db2.gz AIKNAHJIAYHCSY-NJYVYQBISA-N 0 0 326.436 4.537 50 0 EJAARN CC1(C)CC[C@@H](NC(=O)N2CCc3sccc3C2)c2ccccc21 ZINC000060574570 563965961 /nfs/dbraw/zinc/96/59/61/563965961.db2.gz WPSQXANJRHMBPI-QGZVFWFLSA-N 0 0 340.492 4.629 50 0 EJAARN CCn1c(CCc2ccc(NC(=O)C3CCC3)cc2)nc2ccccc21 ZINC000033252608 563966086 /nfs/dbraw/zinc/96/60/86/563966086.db2.gz TWAANCKTZHPOOI-UHFFFAOYSA-N 0 0 347.462 4.580 50 0 EJAARN Cc1cc(C)c2nc(C)cc(C(=O)NCc3cccc(Cl)c3)c2c1 ZINC000033252845 563966119 /nfs/dbraw/zinc/96/61/19/563966119.db2.gz BXLLQOQYAPMLLB-UHFFFAOYSA-N 0 0 338.838 4.743 50 0 EJAARN CC(=O)N1N=C(c2ccc(C(C)(C)C)cc2)O[C@@H]1c1ccc(C)cc1 ZINC000004723555 563966123 /nfs/dbraw/zinc/96/61/23/563966123.db2.gz WAWRIQQGGPWMLK-HXUWFJFHSA-N 0 0 336.435 4.532 50 0 EJAARN CCc1nc(-c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)no1 ZINC000033257267 563966181 /nfs/dbraw/zinc/96/61/81/563966181.db2.gz ATMGRMCQOYNUTI-UHFFFAOYSA-N 0 0 342.786 4.596 50 0 EJAARN CCc1nc(-c2ccc(NC(=O)Nc3ccc(C)c(C)c3)cc2)no1 ZINC000033257271 563966188 /nfs/dbraw/zinc/96/61/88/563966188.db2.gz LVNDTEGFSIEVHE-UHFFFAOYSA-N 0 0 336.395 4.560 50 0 EJAARN Cc1nc(-c2cccc(NC(=O)Nc3ccc(C(C)C)cc3)c2)no1 ZINC000033257598 563966209 /nfs/dbraw/zinc/96/62/09/563966209.db2.gz KJQKPFKQQMMBFK-UHFFFAOYSA-N 0 0 336.395 4.812 50 0 EJAARN O=C(/C=C/c1ccccc1)Nc1c(-c2ccccc2)nc2ccccn21 ZINC000000075309 563967610 /nfs/dbraw/zinc/96/76/10/563967610.db2.gz ZCDIHZHVCSHRMQ-CCEZHUSRSA-N 0 0 339.398 4.653 50 0 EJAARN CC(C)c1noc([C@@H]2CCCN2Cc2ccccc2-c2ccco2)n1 ZINC000077288088 563968761 /nfs/dbraw/zinc/96/87/61/563968761.db2.gz WOYYGUBJHSEEBU-KRWDZBQOSA-N 0 0 337.423 4.790 50 0 EJAARN O=C(c1ccc2ncsc2c1)N1CCCC[C@H]1c1cccc(F)c1 ZINC000077287513 563968766 /nfs/dbraw/zinc/96/87/66/563968766.db2.gz NNOYZJKRKXANAV-KRWDZBQOSA-N 0 0 340.423 4.803 50 0 EJAARN CC(C)c1noc([C@H]2CCCN2Cc2ccc(-c3ccccn3)cc2)n1 ZINC000077301795 563968822 /nfs/dbraw/zinc/96/88/22/563968822.db2.gz XGTPYVDYXBAAJI-LJQANCHMSA-N 0 0 348.450 4.592 50 0 EJAARN Cc1c2ccccc2[nH]c1C(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000077377274 563969271 /nfs/dbraw/zinc/96/92/71/563969271.db2.gz WGMAEAVHIGQSQL-LJQANCHMSA-N 0 0 336.410 4.983 50 0 EJAARN CC(C)Nc1cccc(F)c1NCc1csc([C@H]2CCCO2)n1 ZINC000097233471 563970779 /nfs/dbraw/zinc/97/07/79/563970779.db2.gz QKTHILBTDHHCEG-OAHLLOKOSA-N 0 0 335.448 4.566 50 0 EJAARN Cn1c2ccccc2nc1-c1cccc(-c2nc3ccccc3n2C)c1 ZINC000082048465 563971963 /nfs/dbraw/zinc/97/19/63/563971963.db2.gz LEROFEHUZVLDDW-UHFFFAOYSA-N 0 0 338.414 4.794 50 0 EJAARN O[C@@H](Cn1ccnc1-c1ccccc1-c1ccco1)c1ccccc1 ZINC000082138407 563972650 /nfs/dbraw/zinc/97/26/50/563972650.db2.gz LRKSCUUQSGKLBT-IBGZPJMESA-N 0 0 330.387 4.544 50 0 EJAARN Cc1ccc(S(=O)(=O)C=C(c2ccccc2)c2ccccc2)cc1 ZINC000000067868 563972886 /nfs/dbraw/zinc/97/28/86/563972886.db2.gz KFIUDHBFIZJJTQ-UHFFFAOYSA-N 0 0 334.440 4.858 50 0 EJAARN Brc1ccc(Nc2nc(-c3cccs3)cs2)nc1 ZINC000033297001 563973108 /nfs/dbraw/zinc/97/31/08/563973108.db2.gz SVTOOWUGTNSGTM-UHFFFAOYSA-N 0 0 338.255 4.773 50 0 EJAARN CC(C)c1ccc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc1 ZINC000000069495 563973472 /nfs/dbraw/zinc/97/34/72/563973472.db2.gz BRSDOSAJBBRXQZ-BOPFTXTBSA-N 0 0 325.795 4.808 50 0 EJAARN C/C(Cl)=C/COc1cc(C)nc2c(Br)cccc12 ZINC000033309331 563973498 /nfs/dbraw/zinc/97/34/98/563973498.db2.gz HMRIXCDJNBCIKO-TWGQIWQCSA-N 0 0 326.621 4.827 50 0 EJAARN Cc1cc(N)nc(SC(c2ccc(F)cc2)c2ccc(F)cc2)n1 ZINC000060710118 563973535 /nfs/dbraw/zinc/97/35/35/563973535.db2.gz JFISMUVORYQBNO-UHFFFAOYSA-N 0 0 343.402 4.527 50 0 EJAARN CSc1ccccc1C(=O)NC[C@H](c1ccco1)c1cccs1 ZINC000585146671 563973931 /nfs/dbraw/zinc/97/39/31/563973931.db2.gz AXMYXSLQGDDAIB-CQSZACIVSA-N 0 0 343.473 4.625 50 0 EJAARN FC(F)Oc1ccccc1COc1ccc(Br)cc1 ZINC000086033332 563974047 /nfs/dbraw/zinc/97/40/47/563974047.db2.gz UVRLVPSBFLSXKK-UHFFFAOYSA-N 0 0 329.140 4.630 50 0 EJAARN CCCc1nc(-c2cc3ccc(C)cc3nc2NC2CCCC2)no1 ZINC000033331464 563974454 /nfs/dbraw/zinc/97/44/54/563974454.db2.gz WBTUWLFMPAMQAK-UHFFFAOYSA-N 0 0 336.439 4.900 50 0 EJAARN Cc1ccc(-n2nc(-c3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000000078533 563974544 /nfs/dbraw/zinc/97/45/44/563974544.db2.gz YQQCZJLUFSZDCJ-UHFFFAOYSA-N 0 0 336.398 4.944 50 0 EJAARN CCCc1cc(=O)[nH]c(C(=Cc2cnc(C(F)(F)F)s2)CC)n1 ZINC000435340370 563974738 /nfs/dbraw/zinc/97/47/38/563974738.db2.gz HBQHKAOJDNMUGI-TWGQIWQCSA-N 0 0 343.374 4.561 50 0 EJAARN CCc1ccc2nc(-c3ccc(-c4ccc(O)cc4)cc3)[nH]c(=O)c2c1 ZINC000060797569 563974805 /nfs/dbraw/zinc/97/48/05/563974805.db2.gz ZXCNFRFLUDXCRV-UHFFFAOYSA-N 0 0 342.398 4.525 50 0 EJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000000085861 563975406 /nfs/dbraw/zinc/97/54/06/563975406.db2.gz QEBLWFREPQBFBV-UHFFFAOYSA-N 0 0 349.230 4.856 50 0 EJAARN Cc1cc([C@@H]2CCCCN2C(=O)CC23CC4CC(CC(C4)C2)C3)no1 ZINC000091830734 563975772 /nfs/dbraw/zinc/97/57/72/563975772.db2.gz DGVLQQKWSMDMMH-ILCGBQQYSA-N 0 0 342.483 4.643 50 0 EJAARN C[C@H](Cc1ccsc1)NC(=O)N(Cc1ccccc1Cl)C1CC1 ZINC000426411259 563976392 /nfs/dbraw/zinc/97/63/92/563976392.db2.gz HBTCQMMVKQBPBG-CYBMUJFWSA-N 0 0 348.899 4.707 50 0 EJAARN COc1ccc(-c2nc3cc(NC(=O)c4ccccc4)ccc3o2)cc1 ZINC000000088346 563976425 /nfs/dbraw/zinc/97/64/25/563976425.db2.gz BECGLPNUZKTPBB-UHFFFAOYSA-N 0 0 344.370 4.756 50 0 EJAARN S=c1sc2c(ncnc2N2CCCCCC2)n1-c1ccccc1 ZINC000000089065 563976448 /nfs/dbraw/zinc/97/64/48/563976448.db2.gz OGECLICRLKVFFN-UHFFFAOYSA-N 0 0 342.493 4.592 50 0 EJAARN Cc1[nH]c2ccccc2c1CCNC(=O)c1c(Cl)cccc1Cl ZINC000000091620 563976549 /nfs/dbraw/zinc/97/65/49/563976549.db2.gz MGEKSZJPCUJZMV-UHFFFAOYSA-N 0 0 347.245 4.756 50 0 biogenic,in-vitro EJAARN CC(C)(C)OC(=O)n1cc([C@H](O)c2cccs2)c2ccccc21 ZINC000095218077 563976674 /nfs/dbraw/zinc/97/66/74/563976674.db2.gz TURJSXLXTAJRCP-INIZCTEOSA-N 0 0 329.421 4.568 50 0 EJAARN COC(=O)c1ccc(F)c(-c2cccc(OCc3ccccc3)c2)c1 ZINC000095495651 563977003 /nfs/dbraw/zinc/97/70/03/563977003.db2.gz CRDZIVNDFFSPQW-UHFFFAOYSA-N 0 0 336.362 4.858 50 0 EJAARN CCCCn1ccnc1[C@@H]1CCCN(c2ccc3ccccc3n2)C1 ZINC000095518644 563977365 /nfs/dbraw/zinc/97/73/65/563977365.db2.gz JBTMXEPKKUMFFS-GOSISDBHSA-N 0 0 334.467 4.615 50 0 EJAARN COc1cccc(-c2coc3cc4oc(=O)c5c(c4cc32)CCC5)c1 ZINC000000095348 563977886 /nfs/dbraw/zinc/97/78/86/563977886.db2.gz UXAFUQQQFJCPMD-UHFFFAOYSA-N 0 0 332.355 4.704 50 0 biogenic EJAARN COc1ccc2c(c1)nccc2C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000096028546 563977910 /nfs/dbraw/zinc/97/79/10/563977910.db2.gz JSWWTZGCYCKAEP-UHFFFAOYSA-N 0 0 346.308 4.515 50 0 EJAARN O=C(Cc1c(F)cccc1Cl)Nc1ccc(N2CCCCC2)cc1 ZINC000006249156 563981225 /nfs/dbraw/zinc/98/12/25/563981225.db2.gz WESJCANGJHHULC-UHFFFAOYSA-N 0 0 346.833 4.651 50 0 EJAARN Cc1nc2ccc(C(=O)N3CCCCC[C@@H]3c3ccco3)cc2nc1C ZINC000097323969 563981479 /nfs/dbraw/zinc/98/14/79/563981479.db2.gz UPAZMRJROYODOP-LJQANCHMSA-N 0 0 349.434 4.597 50 0 EJAARN CC(=O)c1c(=O)cc(C)oc1Nc1ccc(Oc2ccccc2)cc1 ZINC000000099949 563981736 /nfs/dbraw/zinc/98/17/36/563981736.db2.gz UZRDXQVLNURCFK-UHFFFAOYSA-N 0 0 335.359 4.687 50 0 EJAARN O=C(Nc1cccc2c1CCCC2)c1ccc(F)c(C(F)(F)F)c1 ZINC000098073301 563982211 /nfs/dbraw/zinc/98/22/11/563982211.db2.gz ATGVXPCLVZWUJE-UHFFFAOYSA-N 0 0 337.316 4.976 50 0 EJAARN O=c1c(Sc2ccccc2)c([O-])c2ccccc2n1-c1ccccc1 ZINC000100292802 563982513 /nfs/dbraw/zinc/98/25/13/563982513.db2.gz PSJYETKZVFAKCO-UHFFFAOYSA-N 0 0 345.423 4.848 50 0 EJAARN O=C1O[C@@H](Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc21 ZINC000000100210 563983153 /nfs/dbraw/zinc/98/31/53/563983153.db2.gz DUALRDFUFSFIMI-CYBMUJFWSA-N 0 0 327.689 4.640 50 0 EJAARN CC(=O)Nc1ccc(C(C)=O)cc1OCc1cccc2ccccc21 ZINC000014129427 563983260 /nfs/dbraw/zinc/98/32/60/563983260.db2.gz DPIHELFPQMQFMW-UHFFFAOYSA-N 0 0 333.387 4.580 50 0 EJAARN CN(Cc1cc(-c2ccco2)on1)Cc1cccc(Cl)c1Cl ZINC000095465852 563983429 /nfs/dbraw/zinc/98/34/29/563983429.db2.gz OHRRADUEQUVFKE-UHFFFAOYSA-N 0 0 337.206 4.873 50 0 EJAARN CCCc1nn(-c2ccccc2F)c2c1C(=O)C[C@@H](c1ccccc1)C2 ZINC000000107093 563986484 /nfs/dbraw/zinc/98/64/84/563986484.db2.gz DKEOROCYVVMNAD-INIZCTEOSA-N 0 0 348.421 4.877 50 0 EJAARN CCCc1c2c(nn1-c1cc(Cl)ccc1OC)CC(C)(C)CC2=O ZINC000000107080 563986499 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CCc1ccccc1NC(=O)CCn1c2ccccc2oc1=S ZINC000000224617 563988997 /nfs/dbraw/zinc/98/89/97/563988997.db2.gz NTFVEVWBBAZEQX-UHFFFAOYSA-N 0 0 326.421 4.555 50 0 EJAARN O=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1cccc2ccccc21 ZINC000000245302 563989255 /nfs/dbraw/zinc/98/92/55/563989255.db2.gz VSGJRUNPBFMMHD-UHFFFAOYSA-N 0 0 342.181 4.947 50 0 EJAARN O=C(Nc1ccc(F)cc1)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000000254890 563989563 /nfs/dbraw/zinc/98/95/63/563989563.db2.gz YKPVOLBQNQZZCW-UHFFFAOYSA-N 0 0 347.349 4.524 50 0 EJAARN CC(=O)c1cccc(OC(=O)C2c3ccccc3Oc3ccccc32)c1 ZINC000000259185 563989609 /nfs/dbraw/zinc/98/96/09/563989609.db2.gz PJCITWRFTVKGBW-UHFFFAOYSA-N 0 0 344.366 4.732 50 0 EJAARN Cc1cc(C)c(NC(=O)COc2ccc(Cl)cc2Cl)c(C)c1 ZINC000000258962 563989615 /nfs/dbraw/zinc/98/96/15/563989615.db2.gz HCDSFVBTZWTMPZ-UHFFFAOYSA-N 0 0 338.234 4.936 50 0 EJAARN COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)NC1CCCCC1 ZINC000000261038 563989684 /nfs/dbraw/zinc/98/96/84/563989684.db2.gz ZWJHXOWIJBMOKO-UHFFFAOYSA-N 0 0 328.456 4.739 50 0 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4.519 50 0 EJAARN COc1ccc(NC(=O)c2ccc3c4c(cccc42)CC3)cc1Cl ZINC000000266720 563989976 /nfs/dbraw/zinc/98/99/76/563989976.db2.gz QGQPDVIRNGXKNA-UHFFFAOYSA-N 0 0 337.806 4.853 50 0 EJAARN O=C(Cc1cccc(C(F)(F)F)c1)Nc1cccc(C(F)(F)F)c1 ZINC000000283048 563990229 /nfs/dbraw/zinc/99/02/29/563990229.db2.gz BHAXTTNOGRQGMS-UHFFFAOYSA-N 0 0 347.258 4.905 50 0 EJAARN COc1ccc2c(c1)[C@@H](OC(C)=O)C(C)(C)[C@@H](c1ccc(F)cc1)N2 ZINC000000285451 563990273 /nfs/dbraw/zinc/99/02/73/563990273.db2.gz DSAQHSCMMOOKBN-RTBURBONSA-N 0 0 343.398 4.632 50 0 EJAARN O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1ccco1 ZINC000000293818 563990304 /nfs/dbraw/zinc/99/03/04/563990304.db2.gz CWMMQIHHDLMBAQ-UHFFFAOYSA-N 0 0 336.372 4.514 50 0 EJAARN COc1cc(C)c(CNc2ccc(Br)cc2C)cc1C ZINC000000293178 563990307 /nfs/dbraw/zinc/99/03/07/563990307.db2.gz HXSHIPZCEHJXQU-UHFFFAOYSA-N 0 0 334.257 4.995 50 0 EJAARN Cc1c(NC(=O)c2cccc(F)c2)cccc1-c1nc2ncccc2o1 ZINC000000294850 563990340 /nfs/dbraw/zinc/99/03/40/563990340.db2.gz 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Cc1cccc2c1-c1sc(C(=O)N[C@H]3CCCC[C@H]3C)cc1CO2 ZINC000005049946 563994064 /nfs/dbraw/zinc/99/40/64/563994064.db2.gz ZNKCXCVZSVPUES-DOMZBBRYSA-N 0 0 341.476 4.924 50 0 EJAARN CCc1cccc(C)c1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000044257448 563994912 /nfs/dbraw/zinc/99/49/12/563994912.db2.gz DOBZYOAPLSHTFZ-UHFFFAOYSA-N 0 0 339.826 4.649 50 0 EJAARN O=C(Nc1ccccc1)c1ccc(CSc2nccn2C2CC2)cc1 ZINC000011895116 563995347 /nfs/dbraw/zinc/99/53/47/563995347.db2.gz FACNKGUXOLEUQA-UHFFFAOYSA-N 0 0 349.459 4.763 50 0 EJAARN O=C(Cc1ccccc1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000011914905 563995465 /nfs/dbraw/zinc/99/54/65/563995465.db2.gz MBHNTPXJRHALIT-UHFFFAOYSA-N 0 0 328.371 4.676 50 0 EJAARN Cc1nc(-c2ccccc2C(=O)N(C(C)C)C(C)C)ccc1Cl ZINC000426505729 563996230 /nfs/dbraw/zinc/99/62/30/563996230.db2.gz IGKHZTJSVWNQRL-UHFFFAOYSA-N 0 0 330.859 4.969 50 0 EJAARN Cc1ncc(C(=O)Nc2ccc(Oc3ccc(C)c(C)c3)nc2)s1 ZINC000063475708 563997560 /nfs/dbraw/zinc/99/75/60/563997560.db2.gz ONWXBVSWFAZUJD-UHFFFAOYSA-N 0 0 339.420 4.508 50 0 EJAARN COc1ccc([C@H]2n3c4ccccc4nc3-c3ccccc3N2C)cc1 ZINC000000203615 563997927 /nfs/dbraw/zinc/99/79/27/563997927.db2.gz GGXWQBHCDCLJPB-JOCHJYFZSA-N 0 0 341.414 4.709 50 0 EJAARN COc1cccc(NC(=O)C2[C@@H]3CCC=CCCC=CCC[C@@H]23)c1 ZINC000252630688 563998007 /nfs/dbraw/zinc/99/80/07/563998007.db2.gz VDKNMAMLBHJZFZ-LEAGNCFPSA-N 0 0 325.452 4.963 50 0 EJAARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccccc2C(F)(F)F)cc1 ZINC000000423972 563998391 /nfs/dbraw/zinc/99/83/91/563998391.db2.gz PNEFMBLEPQHNDF-MRXNPFEDSA-N 0 0 337.366 4.792 50 0 EJAARN Cc1c(Cl)cccc1N1C(=O)CS[C@@H]1c1ccc(F)c(F)c1 ZINC000000424010 563998401 /nfs/dbraw/zinc/99/84/01/563998401.db2.gz MXSNACREMDUBFV-MRXNPFEDSA-N 0 0 339.794 4.705 50 0 EJAARN Cc1cccc(N2C(=O)CS[C@@H]2c2ccccc2C(F)(F)F)c1 ZINC000000423980 563998408 /nfs/dbraw/zinc/99/84/08/563998408.db2.gz NPLXIIUPZZDCCS-MRXNPFEDSA-N 0 0 337.366 4.792 50 0 EJAARN COc1cccc2cc(-c3nc(-c4cccs4)cs3)c(=O)oc21 ZINC000000424864 563998455 /nfs/dbraw/zinc/99/84/55/563998455.db2.gz KBDDDYILGDJCJK-UHFFFAOYSA-N 0 0 341.413 4.654 50 0 aggregator EJAARN Cc1cc2ccccc2n1CCNC(=O)c1cc(Cl)ccc1Cl ZINC000000427886 563998818 /nfs/dbraw/zinc/99/88/18/563998818.db2.gz HFIUFXNRUMYOFP-UHFFFAOYSA-N 0 0 347.245 4.687 50 0 EJAARN Cc1ccc2cc3cc(C(=O)N4C[C@H](C)C[C@@H](C)C4)sc3nc2c1 ZINC000000428322 563998893 /nfs/dbraw/zinc/99/88/93/563998893.db2.gz BVJJIVLDDDTAAL-ZIAGYGMSSA-N 0 0 338.476 4.876 50 0 EJAARN Cc1cc(C)cc(NC(=S)N(C)Cc2cn(C)c3ccccc23)c1 ZINC000000429206 563999146 /nfs/dbraw/zinc/99/91/46/563999146.db2.gz NUJTZUVDHILQNU-UHFFFAOYSA-N 0 0 337.492 4.624 50 0 EJAARN CSc1ccc(/C=C2/N=C(c3cccc4ccccc43)OC2=O)cc1 ZINC000000430421 563999383 /nfs/dbraw/zinc/99/93/83/563999383.db2.gz NLZVPOPLEFJQAA-CPNJWEJPSA-N 0 0 345.423 4.906 50 0 EJAARN O=C(Nc1ccc(F)cc1Cl)c1cnc(-c2cccs2)s1 ZINC000066267814 563999427 /nfs/dbraw/zinc/99/94/27/563999427.db2.gz CYCCTKFBSZLUHW-UHFFFAOYSA-N 0 0 338.816 4.916 50 0 EJAARN Cc1ccc(N2C(=O)CS[C@@H]2c2cccc(Br)c2)cc1 ZINC000000431393 563999472 /nfs/dbraw/zinc/99/94/72/563999472.db2.gz SXUUGDQLFHAGOD-MRXNPFEDSA-N 0 0 348.265 4.536 50 0 EJAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000000447525 563999650 /nfs/dbraw/zinc/99/96/50/563999650.db2.gz LHIXZDQORLTRQR-UHFFFAOYSA-N 0 0 344.842 4.591 50 0 EJAARN CC(=O)O[C@@]1(C)CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000005178640 564000035 /nfs/dbraw/zinc/00/00/35/564000035.db2.gz YKEIELWRIARSQU-CJRUCWEJSA-N 0 0 346.511 4.920 50 0 biogenic EJAARN O=C(Oc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000000454042 564000180 /nfs/dbraw/zinc/00/01/80/564000180.db2.gz KFYIQDKDZVNIIE-UHFFFAOYSA-N 0 0 340.382 4.759 50 0 EJAARN CCc1nc2ccccc2c(C(=O)Nc2ccc(C(C)=O)cc2)c1C ZINC000000411486 564000230 /nfs/dbraw/zinc/00/02/30/564000230.db2.gz IJJAEFDKWXFLKC-UHFFFAOYSA-N 0 0 332.403 4.561 50 0 EJAARN Cc1ccc(-c2cc(C(=O)Nc3cccnc3)c3ccccc3n2)s1 ZINC000000461798 564000862 /nfs/dbraw/zinc/00/08/62/564000862.db2.gz MRRQIBLTSQAYMO-UHFFFAOYSA-N 0 0 345.427 4.919 50 0 EJAARN Cc1sc2ncnc(N3CCC[C@H]3c3nc4ccccc4[nH]3)c2c1C ZINC000079097790 564000973 /nfs/dbraw/zinc/00/09/73/564000973.db2.gz IIPOIMWKFNPZGQ-HNNXBMFYSA-N 0 0 349.463 4.526 50 0 EJAARN Cc1sc2ncnc(N3CCC[C@@H]3c3nc4ccccc4[nH]3)c2c1C ZINC000079097785 564000985 /nfs/dbraw/zinc/00/09/85/564000985.db2.gz IIPOIMWKFNPZGQ-OAHLLOKOSA-N 0 0 349.463 4.526 50 0 EJAARN Cc1ccc(-c2nnc(SCC(=O)c3ccc(C)cc3C)o2)cc1 ZINC000005210526 564001055 /nfs/dbraw/zinc/00/10/55/564001055.db2.gz XPVMWFQEOZQQAU-UHFFFAOYSA-N 0 0 338.432 4.637 50 0 EJAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3CC(C)C)cc1 ZINC000005218329 564001159 /nfs/dbraw/zinc/00/11/59/564001159.db2.gz PBZXUXBYDBXDLZ-FPOVZHCZSA-N 0 0 336.435 4.611 50 0 EJAARN CSc1ccc(C(=O)Nc2nc3c(ccc(C)c3C)s2)cc1 ZINC000005222843 564001238 /nfs/dbraw/zinc/00/12/38/564001238.db2.gz GMKAJUZWJYORJO-UHFFFAOYSA-N 0 0 328.462 4.887 50 0 EJAARN CC(C)CC[C@@H](CC(=O)Nc1nccs1)[C@@H]1CCOC(C)(C)C1 ZINC000005246358 564001539 /nfs/dbraw/zinc/00/15/39/564001539.db2.gz KAHPPHZFDIXLCC-LSDHHAIUSA-N 0 0 338.517 4.729 50 0 EJAARN Oc1ccccc1C1=N[C@@H](c2ccccc2)N[C@H](c2ccccc2)C1 ZINC000061868521 564001700 /nfs/dbraw/zinc/00/17/00/564001700.db2.gz UJROPHQMKHBBEJ-UGKGYDQZSA-N 0 0 328.415 4.615 50 0 EJAARN COCCn1cc(NC(=O)Nc2cccc(C)c2C)c2ccccc21 ZINC000005266525 564001728 /nfs/dbraw/zinc/00/17/28/564001728.db2.gz RWAGRMYTFDGEPX-UHFFFAOYSA-N 0 0 337.423 4.549 50 0 EJAARN CSc1ccc2nc(NC(=O)c3ccc(Cl)s3)sc2c1 ZINC000005299117 564002508 /nfs/dbraw/zinc/00/25/08/564002508.db2.gz HUJABIRJYPMUIV-UHFFFAOYSA-N 0 0 340.882 4.985 50 0 EJAARN CSc1ccc2nc(NC(=O)/C=C/c3cccs3)sc2c1 ZINC000005299128 564002515 /nfs/dbraw/zinc/00/25/15/564002515.db2.gz BKNBIYBADCGIEX-FNORWQNLSA-N 0 0 332.475 4.732 50 0 EJAARN Cc1ccc(C)c(C(=O)N(CCc2ccccc2)Cc2ccccn2)c1 ZINC000062017878 564002737 /nfs/dbraw/zinc/00/27/37/564002737.db2.gz ROXHTVIHUPYHCA-UHFFFAOYSA-N 0 0 344.458 4.584 50 0 EJAARN Cc1cccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1 ZINC000001505488 564003596 /nfs/dbraw/zinc/00/35/96/564003596.db2.gz SPERGAVKQITFMF-UHFFFAOYSA-N 0 0 330.359 4.649 50 0 EJAARN Cc1ccc(-c2ccsc2C(=O)NCc2ccccc2F)cc1 ZINC000005405476 564003705 /nfs/dbraw/zinc/00/37/05/564003705.db2.gz UKEMJUXONJNMFF-UHFFFAOYSA-N 0 0 325.408 4.793 50 0 EJAARN Fc1ccc(CSc2nnc(-c3cccs3)o2)c(Cl)c1 ZINC000002622635 564003898 /nfs/dbraw/zinc/00/38/98/564003898.db2.gz ZMFUCOAIRJFPCT-UHFFFAOYSA-N 0 0 326.805 4.883 50 0 EJAARN Cc1ccccc1-c1nnc(SCc2nc3ccccc3s2)o1 ZINC000005434763 564003996 /nfs/dbraw/zinc/00/39/96/564003996.db2.gz YBMHNVHXWCKNHF-UHFFFAOYSA-N 0 0 339.445 4.947 50 0 EJAARN CC(C)(C)NC(=O)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 ZINC000003171041 564004126 /nfs/dbraw/zinc/00/41/26/564004126.db2.gz NILLNGZAXXGFPC-GHRIWEEISA-N 0 0 345.389 4.743 50 0 EJAARN O=C([C@H](Oc1cccc2ccccc21)c1ccccc1)N1CCCC1 ZINC000005459148 564004272 /nfs/dbraw/zinc/00/42/72/564004272.db2.gz BOUOGHPOKAUDJW-OAQYLSRUSA-N 0 0 331.415 4.582 50 0 EJAARN CC(C)(C)c1ccc(OCC(=O)OCc2ccc(Cl)cc2)cc1 ZINC000003254299 564004307 /nfs/dbraw/zinc/00/43/07/564004307.db2.gz QDESHYMKYLWUAE-UHFFFAOYSA-N 0 0 332.827 4.760 50 0 EJAARN COc1ccccc1-c1nc(-c2ccc(NC(C)=O)cc2F)cs1 ZINC000007988136 564004385 /nfs/dbraw/zinc/00/43/85/564004385.db2.gz KDTUNPGXHGXOON-UHFFFAOYSA-N 0 0 342.395 4.583 50 0 EJAARN CC(=O)NCC[C@H]1[C@H](c2c(C)[nH]c3c2ccc2ccccc32)C1(C)C ZINC000005477729 564004539 /nfs/dbraw/zinc/00/45/39/564004539.db2.gz LXJVNXPZQCZABX-AZUAARDMSA-N 0 0 334.463 4.895 50 0 EJAARN CCn1c(SCc2c(F)cccc2F)nnc1-c1cccc(C)c1 ZINC000005478621 564004541 /nfs/dbraw/zinc/00/45/41/564004541.db2.gz PNMRDQOCUBVGOZ-UHFFFAOYSA-N 0 0 345.418 4.844 50 0 EJAARN CC(=O)NCC[C@H]1[C@@H](c2c(C)n(C)c3c2ccc2ccccc32)C1(C)C ZINC000005478421 564004552 /nfs/dbraw/zinc/00/45/52/564004552.db2.gz UPSGZPSERZFAKQ-FPOVZHCZSA-N 0 0 348.490 4.906 50 0 EJAARN Cc1cccc2cc3c(NC(=O)C(C)(C)C)nn(CC(C)C)c3nc12 ZINC000005478590 564004554 /nfs/dbraw/zinc/00/45/54/564004554.db2.gz XWKAOHQJQQMFGD-UHFFFAOYSA-N 0 0 338.455 4.534 50 0 EJAARN Cc1cccc(C)c1NC(=O)COc1ccc2c(c1)[nH]c1ccccc12 ZINC000005498109 564004723 /nfs/dbraw/zinc/00/47/23/564004723.db2.gz FAVZWPSNUHUTCA-UHFFFAOYSA-N 0 0 344.414 4.955 50 0 EJAARN Cc1cccc(NC(=O)COc2ccc3c(c2)[nH]c2ccccc23)c1 ZINC000005498101 564004741 /nfs/dbraw/zinc/00/47/41/564004741.db2.gz MMBHZGSVMUZBTG-UHFFFAOYSA-N 0 0 330.387 4.647 50 0 EJAARN C[C@H](Oc1ccc2c(c1)[nH]c1ccccc12)C(=O)Nc1ccccc1F ZINC000005498298 564004746 /nfs/dbraw/zinc/00/47/46/564004746.db2.gz NKYOZGCIIBHXFE-ZDUSSCGKSA-N 0 0 348.377 4.866 50 0 EJAARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(Br)cc1 ZINC000005528172 564005010 /nfs/dbraw/zinc/00/50/10/564005010.db2.gz GJMWMVPSZHAOPJ-LLVKDONJSA-N 0 0 348.215 4.570 50 0 EJAARN Cc1cccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc32)c1 ZINC000005520656 564005062 /nfs/dbraw/zinc/00/50/62/564005062.db2.gz SIBVXVQLDNWQHR-UHFFFAOYSA-N 0 0 339.398 4.858 50 0 EJAARN O=C1c2ccccc2N[C@H](c2ccc(Cl)cc2)N1Cc1ccco1 ZINC000005595478 564006113 /nfs/dbraw/zinc/00/61/13/564006113.db2.gz YVRGMNRZNNLIFI-SFHVURJKSA-N 0 0 338.794 4.700 50 0 EJAARN CC(C(=O)Nc1cccc2ccccc21)(C(F)(F)F)C(F)(F)F ZINC000003124573 564006787 /nfs/dbraw/zinc/00/67/87/564006787.db2.gz QYTVWIFVHDRENH-UHFFFAOYSA-N 0 0 335.247 4.909 50 0 EJAARN COc1ccc(Nc2ncnc3c4ccccc4oc32)cc1Cl ZINC000017249798 564011450 /nfs/dbraw/zinc/01/14/50/564011450.db2.gz VQUADTIYZFZJIX-UHFFFAOYSA-N 0 0 325.755 4.782 50 0 EJAARN CN(Cc1ccsc1)C(=O)C1c2ccccc2Oc2ccccc21 ZINC000017370966 564011752 /nfs/dbraw/zinc/01/17/52/564011752.db2.gz QBRHSKWTSVGCKR-UHFFFAOYSA-N 0 0 335.428 4.644 50 0 EJAARN CCOc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000000123278 564012117 /nfs/dbraw/zinc/01/21/17/564012117.db2.gz VRTNNBKQJUXLQC-UHFFFAOYSA-N 0 0 345.442 4.928 50 0 EJAARN CCCc1cc(Br)c(-n2cccc2)c(Br)c1 ZINC000000167251 564012141 /nfs/dbraw/zinc/01/21/41/564012141.db2.gz XEAOVTSAXNZMEH-UHFFFAOYSA-N 0 0 343.062 4.955 50 0 EJAARN COc1ccc(Br)cc1C(=O)Nc1ccc(C(C)C)cc1 ZINC000000316876 564012389 /nfs/dbraw/zinc/01/23/89/564012389.db2.gz BRBUCEBEVXFHSI-UHFFFAOYSA-N 0 0 348.240 4.833 50 0 EJAARN CCc1cc(Br)ccc1NC(=O)CCCc1ccccc1 ZINC000000372467 564012438 /nfs/dbraw/zinc/01/24/38/564012438.db2.gz GFYSREZTKOHIEJ-UHFFFAOYSA-N 0 0 346.268 4.973 50 0 EJAARN CCOc1ccc(NC(=O)COc2ccc([C@H](C)CC)cc2)cc1 ZINC000000505792 564012505 /nfs/dbraw/zinc/01/25/05/564012505.db2.gz VLRAVJGMTOGAKM-OAHLLOKOSA-N 0 0 327.424 4.616 50 0 EJAARN O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccccc1 ZINC000000466069 564012688 /nfs/dbraw/zinc/01/26/88/564012688.db2.gz WWQAGFGNWAFEHB-UHFFFAOYSA-N 0 0 344.130 4.720 50 0 EJAARN O=C(Cc1ccc2ccccc2c1)Nc1ccccc1Br ZINC000000471282 564012693 /nfs/dbraw/zinc/01/26/93/564012693.db2.gz FZTWXNXEYZGVFO-UHFFFAOYSA-N 0 0 340.220 4.784 50 0 EJAARN CN(Cc1ccccc1N1CCCC1)C(=O)Nc1cccc(Cl)c1 ZINC000017743699 564012884 /nfs/dbraw/zinc/01/28/84/564012884.db2.gz YSFOQWDUDRDPMY-UHFFFAOYSA-N 0 0 343.858 4.604 50 0 EJAARN Cc1ccc(C)c(/C=C2/N=C(c3cc(F)c(F)cc3Cl)OC2=O)c1 ZINC000000478008 564012961 /nfs/dbraw/zinc/01/29/61/564012961.db2.gz RSNNMOBOVZZNLF-OMCISZLKSA-N 0 0 347.748 4.580 50 0 EJAARN C[C@@H](NC(=O)c1ccc(Br)o1)c1cccc2ccccc21 ZINC000017840859 564013100 /nfs/dbraw/zinc/01/31/00/564013100.db2.gz LHVFYSXTEBUCHR-LLVKDONJSA-N 0 0 344.208 4.686 50 0 EJAARN Cc1[nH]c2ccc(C(=O)N[C@H](C)c3cccc(Cl)c3)cc2c1C ZINC000017908449 564013288 /nfs/dbraw/zinc/01/32/88/564013288.db2.gz OQLZERBUSCSRMX-CYBMUJFWSA-N 0 0 326.827 4.929 50 0 EJAARN CCOC(=O)c1sc(NC(=O)/C=C/c2ccccc2Cl)cc1C ZINC000003286906 564013612 /nfs/dbraw/zinc/01/36/12/564013612.db2.gz JHWITLNJEWWVHL-CMDGGOBGSA-N 0 0 349.839 4.539 50 0 EJAARN O=C(Nc1ccc(Br)cc1)c1ccc2ccccc2c1 ZINC000005558273 564014132 /nfs/dbraw/zinc/01/41/32/564014132.db2.gz NMJFLQCZOKLARL-UHFFFAOYSA-N 0 0 326.193 4.855 50 0 EJAARN Cc1nc([C@H]2CCCN2C(=O)Nc2cc(F)cc(Cl)c2)cs1 ZINC000189158913 564014620 /nfs/dbraw/zinc/01/46/20/564014620.db2.gz PRNLUISMMJTNCH-CQSZACIVSA-N 0 0 339.823 4.613 50 0 EJAARN O=C(Nc1ccsc1Cl)N[C@@H](c1nccs1)c1ccccc1 ZINC000189423417 564015320 /nfs/dbraw/zinc/01/53/20/564015320.db2.gz ZADXEOXPMCJGTJ-GFCCVEGCSA-N 0 0 349.868 4.769 50 0 EJAARN O=C(Oc1ccc(F)cc1)c1cccc(-c2cnc3ccccc3n2)c1 ZINC000000482165 564016517 /nfs/dbraw/zinc/01/65/17/564016517.db2.gz KKIWXMCDVZTTHS-UHFFFAOYSA-N 0 0 344.345 4.655 50 0 EJAARN CC(C)Oc1ccc([C@@H](CC(=O)NCc2ccco2)C(C)C)cc1 ZINC000000488684 564017365 /nfs/dbraw/zinc/01/73/65/564017365.db2.gz KFVAQFSKBCHDAG-IBGZPJMESA-N 0 0 329.440 4.513 50 0 biogenic EJAARN CCC(=O)N(CC[C@@]1(C(C)C)CCOC(C)(C)C1)Cc1ccco1 ZINC000000489048 564017408 /nfs/dbraw/zinc/01/74/08/564017408.db2.gz USRZTGCJRCJWQW-HXUWFJFHSA-N 0 0 335.488 4.640 50 0 EJAARN CCc1c(C)c2ccc(OCc3cccc(OC)c3)c(C)c2oc1=O ZINC000000489178 564017528 /nfs/dbraw/zinc/01/75/28/564017528.db2.gz HGAOBBDXTHPJEH-UHFFFAOYSA-N 0 0 338.403 4.560 50 0 biogenic EJAARN CC(C)Oc1ccc(CNC(=O)C[C@@H](c2ccco2)C(C)C)cc1 ZINC000000489318 564017535 /nfs/dbraw/zinc/01/75/35/564017535.db2.gz OZSKKVJNZIVVQO-GOSISDBHSA-N 0 0 329.440 4.513 50 0 biogenic EJAARN O=C(COc1ccc(Cl)cc1)Nc1ccc(SC(F)F)cc1 ZINC000005674487 564018053 /nfs/dbraw/zinc/01/80/53/564018053.db2.gz QRMQZQNDNLFEPT-UHFFFAOYSA-N 0 0 343.782 4.672 50 0 EJAARN Cc1ccc2oc(C(=O)Nc3ccc(Cl)cc3Cl)cc(=O)c2c1 ZINC000018114723 564018099 /nfs/dbraw/zinc/01/80/99/564018099.db2.gz XTJGLDAKGKKNNK-UHFFFAOYSA-N 0 0 348.185 4.661 50 0 EJAARN COc1ccc2oc(-c3ccccc3)c(C(=O)N3CCC(C)CC3)c2c1 ZINC000000498867 564018269 /nfs/dbraw/zinc/01/82/69/564018269.db2.gz FEYGTZJVPXIBKS-UHFFFAOYSA-N 0 0 349.430 4.981 50 0 EJAARN COc1ccc(NC(=O)Nc2ccc(C(=O)c3ccccc3)cc2)cc1 ZINC000018194253 564018636 /nfs/dbraw/zinc/01/86/36/564018636.db2.gz CNNQDUSHZNZOCX-UHFFFAOYSA-N 0 0 346.386 4.570 50 0 EJAARN O=C(CCCc1c[nH]c2ccccc12)Nc1ccc2ncccc2c1 ZINC000018192252 564018649 /nfs/dbraw/zinc/01/86/49/564018649.db2.gz RKYAKJMUYBXFSR-UHFFFAOYSA-N 0 0 329.403 4.678 50 0 EJAARN O=C1c2ccccc2N[C@H](c2cccc(F)c2)N1c1ccccc1F ZINC000000500666 564018971 /nfs/dbraw/zinc/01/89/71/564018971.db2.gz VXGZLGZQDHXXFX-IBGZPJMESA-N 0 0 336.341 4.736 50 0 EJAARN COc1ccc(-c2nnc(NCc3ccccc3)c3ccccc32)cc1 ZINC000000503611 564019172 /nfs/dbraw/zinc/01/91/72/564019172.db2.gz OVNJFVZVUQCCNK-UHFFFAOYSA-N 0 0 341.414 4.918 50 0 EJAARN COc1cc2c(cc1NC(=O)Cc1ccsc1)oc1ccccc12 ZINC000005700718 564019466 /nfs/dbraw/zinc/01/94/66/564019466.db2.gz LOOFMCGTPOEIHM-UHFFFAOYSA-N 0 0 337.400 4.837 50 0 EJAARN COc1ccc(C)cc1NC(=O)CCCOc1ccc(Cl)c(C)c1 ZINC000005701420 564019474 /nfs/dbraw/zinc/01/94/74/564019474.db2.gz HKRIULIXVYGRIT-UHFFFAOYSA-N 0 0 347.842 4.763 50 0 EJAARN COc1ccc(C=C2c3ccccc3C(=O)c3ccccc32)c(OC)c1 ZINC000000506400 564019535 /nfs/dbraw/zinc/01/95/35/564019535.db2.gz AYGPZQNRASPMIC-UHFFFAOYSA-N 0 0 342.394 4.837 50 0 EJAARN C[C@H](Nc1ccc(-c2ccccc2)cc1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000102348320 564019970 /nfs/dbraw/zinc/01/99/70/564019970.db2.gz BWZZFAIARHLJQN-KSZLIROESA-N 0 0 336.479 4.659 50 0 EJAARN c1ccc(Cn2c(-c3ccccc3)nc3nc4ccccc4nc32)cc1 ZINC000000521387 564021041 /nfs/dbraw/zinc/02/10/41/564021041.db2.gz SVMXFDZDGKRPJJ-UHFFFAOYSA-N 0 0 336.398 4.695 50 0 EJAARN Cc1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccco2)cc1 ZINC000000521705 564021048 /nfs/dbraw/zinc/02/10/48/564021048.db2.gz MDFGBLBCMOXAMG-UHFFFAOYSA-N 0 0 340.386 4.596 50 0 aggregator EJAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccnc2)cc1 ZINC000000522363 564021108 /nfs/dbraw/zinc/02/11/08/564021108.db2.gz AWPUZDKRLYGKLJ-UNMCSNQZSA-N 0 0 341.414 4.632 50 0 EJAARN CCn1c(CNc2nc3ccccc3n2C(C)C)nc2ccccc21 ZINC000000522486 564021111 /nfs/dbraw/zinc/02/11/11/564021111.db2.gz PEPQZDOFWQLLFV-UHFFFAOYSA-N 0 0 333.439 4.599 50 0 EJAARN Clc1ccc(-c2nn3c(nnc3-c3ccccc3Cl)s2)cc1 ZINC000000527054 564021210 /nfs/dbraw/zinc/02/12/10/564021210.db2.gz XRVPJQKHDKGOGY-UHFFFAOYSA-N 0 0 347.230 4.827 50 0 EJAARN O=c1c2ccccc2nc(/C=C\c2ccco2)n1-c1ccccc1Cl ZINC000103219586 564021659 /nfs/dbraw/zinc/02/16/59/564021659.db2.gz IRJSWPXLSLGOAK-QXMHVHEDSA-N 0 0 348.789 4.803 50 0 EJAARN Cc1ccc(N2C[C@H](c3nc4ccccc4n3CC(C)C)CC2=O)cc1 ZINC000000534338 564022034 /nfs/dbraw/zinc/02/20/34/564022034.db2.gz FBOBCBDQECXGCR-QGZVFWFLSA-N 0 0 347.462 4.521 50 0 EJAARN CCOc1ccc(Cc2c(Cl)nc(SC)nc2Cl)cc1C ZINC000000545745 564022711 /nfs/dbraw/zinc/02/27/11/564022711.db2.gz ZCMVYRFMCICRMO-UHFFFAOYSA-N 0 0 343.279 4.803 50 0 EJAARN O=C1[C@@H](Cc2ccc(Cl)c(Cl)c2)Sc2nc3ccccc3n21 ZINC000000548868 564022923 /nfs/dbraw/zinc/02/29/23/564022923.db2.gz KXKKEUBWWMZANG-CQSZACIVSA-N 0 0 349.242 4.700 50 0 EJAARN O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1ccc(Cl)s1 ZINC000000567914 564023439 /nfs/dbraw/zinc/02/34/39/564023439.db2.gz DGGIZUIMIPKZLY-UHFFFAOYSA-N 0 0 346.864 4.876 50 0 EJAARN CCc1ccc(-c2csc(NC(=O)c3ccc(OC)cc3)n2)cc1 ZINC000000567894 564023454 /nfs/dbraw/zinc/02/34/54/564023454.db2.gz GANICKTYAUEHMS-UHFFFAOYSA-N 0 0 338.432 4.633 50 0 EJAARN COc1ccccc1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000000567870 564023462 /nfs/dbraw/zinc/02/34/62/564023462.db2.gz OJVJBAJMPAJBLE-UHFFFAOYSA-N 0 0 344.823 4.724 50 0 EJAARN COc1ccc(-c2noc([C@H](C)Oc3cccc(Cl)c3)n2)cc1 ZINC000000579631 564024312 /nfs/dbraw/zinc/02/43/12/564024312.db2.gz DZTKMQCHZJNUAP-NSHDSACASA-N 0 0 330.771 4.539 50 0 EJAARN O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1cccs1 ZINC000016180523 564024545 /nfs/dbraw/zinc/02/45/45/564024545.db2.gz STDBPRXNUJOZNV-UHFFFAOYSA-N 0 0 327.380 4.610 50 0 EJAARN O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000105657836 564025291 /nfs/dbraw/zinc/02/52/91/564025291.db2.gz BHVLVJYKEAOAQT-IIAWOOMASA-N 0 0 325.374 4.549 50 0 EJAARN C[C@@H]1CCC[C@H](NC(=O)CSCc2cccc(Cl)c2)[C@H]1C ZINC000105926232 564025376 /nfs/dbraw/zinc/02/53/76/564025376.db2.gz DAUGJXSEMDJQKK-WWGRRREGSA-N 0 0 325.905 4.514 50 0 EJAARN O=C(c1cnc(-c2ccccc2)s1)N1CCC[C@H]1Cc1ccccc1 ZINC000047074477 564025683 /nfs/dbraw/zinc/02/56/83/564025683.db2.gz PXEJLTRGVYSBEP-SFHVURJKSA-N 0 0 348.471 4.657 50 0 EJAARN Cc1ccc(-c2ccc(OCC(=O)N3CCc4ccccc43)cc2)cc1 ZINC000005750795 564025833 /nfs/dbraw/zinc/02/58/33/564025833.db2.gz DNSUAKQJJGHRBW-UHFFFAOYSA-N 0 0 343.426 4.630 50 0 EJAARN Oc1ccccc1-c1cc(C(F)(F)C(F)F)nc(-c2ccccc2)n1 ZINC000013129919 564025917 /nfs/dbraw/zinc/02/59/17/564025917.db2.gz QRDUPZWKIMRACK-UHFFFAOYSA-N 0 0 348.299 4.873 50 0 aggregator EJAARN O=C(/C=C/c1ccccn1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000047520519 564026408 /nfs/dbraw/zinc/02/64/08/564026408.db2.gz MYXNMGASYTWRMT-OUKQBFOZSA-N 0 0 341.370 4.542 50 0 EJAARN Cc1nn(C)c(NC(=O)c2ccc(-c3cccc(Cl)c3)s2)c1C ZINC000106718921 564026610 /nfs/dbraw/zinc/02/66/10/564026610.db2.gz RGXAMHXFSMUFMA-UHFFFAOYSA-N 0 0 345.855 4.671 50 0 EJAARN C[C@H](c1ncc(-c2ccccc2)o1)[S@](=O)[C@@H](C)c1cccs1 ZINC000107520613 564026976 /nfs/dbraw/zinc/02/69/76/564026976.db2.gz AUXMYXXGRAOIBV-SASJJMKUSA-N 0 0 331.462 4.974 50 0 EJAARN C[C@H](c1cccs1)[S@](=O)[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000107520604 564026987 /nfs/dbraw/zinc/02/69/87/564026987.db2.gz AUXMYXXGRAOIBV-GIYNXVAASA-N 0 0 331.462 4.974 50 0 EJAARN C[C@@H]1CCCN(C(=O)/C(=C\c2ccc(F)cc2)c2cccs2)C1 ZINC000044650067 564027081 /nfs/dbraw/zinc/02/70/81/564027081.db2.gz JKNHLYVHKVILGP-MTOJCTJASA-N 0 0 329.440 4.686 50 0 EJAARN CN(Cc1ccccc1)C(=O)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000044838670 564027351 /nfs/dbraw/zinc/02/73/51/564027351.db2.gz DGKYHHOOFIYWFB-UHFFFAOYSA-N 0 0 341.414 4.502 50 0 EJAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)n[nH]2)cc1 ZINC000044837806 564027358 /nfs/dbraw/zinc/02/73/58/564027358.db2.gz XBJGGANHLFAPFB-UHFFFAOYSA-N 0 0 325.799 4.599 50 0 EJAARN COc1ccc(-c2csc(Nc3ccc(N(C)C)cc3)n2)cc1C ZINC000044928824 564027774 /nfs/dbraw/zinc/02/77/74/564027774.db2.gz RGJQWAZFQRTWAL-UHFFFAOYSA-N 0 0 339.464 4.937 50 0 EJAARN CN(Cc1cccc2ccccc21)C(=O)Cc1cccc2cccnc21 ZINC000045388470 564028408 /nfs/dbraw/zinc/02/84/08/564028408.db2.gz QLJAOFORAQTTDZ-UHFFFAOYSA-N 0 0 340.426 4.589 50 0 EJAARN C[C@@H]1CCC[C@H](NC(=O)c2cccc(OCc3ccccc3)c2)[C@H]1C ZINC000108926296 564028545 /nfs/dbraw/zinc/02/85/45/564028545.db2.gz DJXJETVHGPUZGE-WWMYMODYSA-N 0 0 337.463 4.820 50 0 EJAARN CCCOC(=O)c1nc2ccccc2nc1Nc1cccc(CC)c1 ZINC000045901185 564028801 /nfs/dbraw/zinc/02/88/01/564028801.db2.gz LXOZYEPLWROOJO-UHFFFAOYSA-N 0 0 335.407 4.503 50 0 EJAARN CCc1ccc(Nc2nc3ccccc3nc2C(=O)OC(C)C)cc1 ZINC000045901464 564028805 /nfs/dbraw/zinc/02/88/05/564028805.db2.gz LVRIHXBCTNPDGN-UHFFFAOYSA-N 0 0 335.407 4.501 50 0 EJAARN O=C(Cc1c(F)cccc1Cl)N1CCC[C@H]1c1ccc(F)cc1 ZINC000046018081 564029221 /nfs/dbraw/zinc/02/92/21/564029221.db2.gz NQFPDHVWZMWZSX-KRWDZBQOSA-N 0 0 335.781 4.524 50 0 EJAARN Cc1cccc(-c2noc(-c3ccc(NC(=O)C(C)(C)C)cc3)n2)c1 ZINC000046018709 564029300 /nfs/dbraw/zinc/02/93/00/564029300.db2.gz PAZXRPRUKVXXDK-UHFFFAOYSA-N 0 0 335.407 4.697 50 0 EJAARN CCCCC(=O)Nc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000046018733 564029314 /nfs/dbraw/zinc/02/93/14/564029314.db2.gz RLZGAKXPPLDCEB-UHFFFAOYSA-N 0 0 335.407 4.841 50 0 EJAARN Cc1ccc(-c2noc(-c3ccc(NC(=O)c4ccco4)cc3)n2)cc1 ZINC000046018727 564029317 /nfs/dbraw/zinc/02/93/17/564029317.db2.gz VVBNEBVFVMGMLE-UHFFFAOYSA-N 0 0 345.358 4.557 50 0 EJAARN C[C@@]12CC[C@H]3[C@@H](CC[C@H]4CC5(CC[C@@]43C)OCCO5)[C@H]1CC[C@]2(C)O ZINC000004369616 564029832 /nfs/dbraw/zinc/02/98/32/564029832.db2.gz OCPDFDRDDCQKEV-LQDXZBFHSA-N 0 0 348.527 4.523 50 0 EJAARN CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC(=O)[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004369639 564029853 /nfs/dbraw/zinc/02/98/53/564029853.db2.gz VRKZRMXFPPHWKJ-YRFCBLNGSA-N 0 0 332.484 4.530 50 0 EJAARN COCc1ccccc1NC(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000048078660 564029980 /nfs/dbraw/zinc/02/99/80/564029980.db2.gz ULGPTOZHSHBTNA-GOSISDBHSA-N 0 0 344.842 4.855 50 0 EJAARN O=C(Nc1ccc(Oc2ncccn2)cc1)c1cc2ccccc2s1 ZINC000048202463 564030030 /nfs/dbraw/zinc/03/00/30/564030030.db2.gz RWQODHFTOHJZLL-UHFFFAOYSA-N 0 0 347.399 4.736 50 0 EJAARN Cc1cc2cc(NC(=O)CCC(=O)c3ccc4c(c3)CCC4)ccc2[nH]1 ZINC000048231550 564030245 /nfs/dbraw/zinc/03/02/45/564030245.db2.gz ROFGLRSHJPXTKG-UHFFFAOYSA-N 0 0 346.430 4.567 50 0 EJAARN O=C(Nc1ccc(SCc2cccnc2)cc1)c1cc(Cl)c[nH]1 ZINC000048279854 564030662 /nfs/dbraw/zinc/03/06/62/564030662.db2.gz CBGLCDWKPHYZFK-UHFFFAOYSA-N 0 0 343.839 4.608 50 0 EJAARN CCN(C(=O)c1cccnc1)[C@H](Cc1ccccc1)c1ccccc1 ZINC000019898387 564030772 /nfs/dbraw/zinc/03/07/72/564030772.db2.gz HKBHNTHRPSZIIT-OAQYLSRUSA-N 0 0 330.431 4.528 50 0 EJAARN Cc1nc(SCc2noc(C(C)(C)C)n2)n(C2CCCCC2)c1C ZINC000048323984 564030924 /nfs/dbraw/zinc/03/09/24/564030924.db2.gz RJVVVNJRRJKVHM-UHFFFAOYSA-N 0 0 348.516 4.978 50 0 EJAARN C[C@H](Sc1nc(-c2ccc(F)cc2)c[nH]1)c1nc(C(C)(C)C)no1 ZINC000048325630 564030975 /nfs/dbraw/zinc/03/09/75/564030975.db2.gz VYMLFNDMZQXPTA-JTQLQIEISA-N 0 0 346.431 4.750 50 0 EJAARN COc1cc([C@H](C)NC(=O)C[C@H]2C=CCC2)ccc1OC1CCCC1 ZINC000048331638 564031161 /nfs/dbraw/zinc/03/11/61/564031161.db2.gz MSGVGHHAMNDYGS-HOTGVXAUSA-N 0 0 343.467 4.550 50 0 EJAARN O=C(c1cccc(-n2nccc2-c2ccccc2)c1)N1CCCCCC1 ZINC000048356519 564031390 /nfs/dbraw/zinc/03/13/90/564031390.db2.gz VBEJLCAWPUDWHM-UHFFFAOYSA-N 0 0 345.446 4.556 50 0 EJAARN O=C(N[C@@H]1CCc2ccccc21)c1ccccc1SC(F)(F)F ZINC000048355583 564031429 /nfs/dbraw/zinc/03/14/29/564031429.db2.gz VYIHATPQFMIIJD-CQSZACIVSA-N 0 0 337.366 4.716 50 0 EJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H](c1ccccc1)n1cccc1 ZINC000049030942 564032451 /nfs/dbraw/zinc/03/24/51/564032451.db2.gz XXRUTJQAWASLFJ-KRWDZBQOSA-N 0 0 344.336 4.735 50 0 EJAARN CCn1cc(CCCC(=O)NCCC2=CCCCC2)c2ccccc21 ZINC000006782785 564033490 /nfs/dbraw/zinc/03/34/90/564033490.db2.gz OJZMUNYRKDYSFW-UHFFFAOYSA-N 0 0 338.495 4.991 50 0 EJAARN CCOc1ccc(-c2nc(NC(=O)c3ccoc3C)sc2C)cc1 ZINC000024762483 564033662 /nfs/dbraw/zinc/03/36/62/564033662.db2.gz LHILZKWJRVHDEN-UHFFFAOYSA-N 0 0 342.420 4.671 50 0 EJAARN O=C(c1c[nH]c2ccccc12)[C@H](Sc1ncccn1)c1ccccc1 ZINC000006911134 564033790 /nfs/dbraw/zinc/03/37/90/564033790.db2.gz UBSBKQIQUGINAW-LJQANCHMSA-N 0 0 345.427 4.674 50 0 EJAARN O=C(/C=C/c1ccccc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000003188327 564034344 /nfs/dbraw/zinc/03/43/44/564034344.db2.gz YKMBJRLRBSEQNX-XNTDXEJSSA-N 0 0 339.398 4.882 50 0 EJAARN Cc1cc(C(=O)OCc2csc(-c3ccc(F)cc3)n2)c(C)o1 ZINC000007746959 564034456 /nfs/dbraw/zinc/03/44/56/564034456.db2.gz GZOJVVMCYYFLKT-UHFFFAOYSA-N 0 0 331.368 4.516 50 0 EJAARN CSc1cccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)c1 ZINC000008071392 564034668 /nfs/dbraw/zinc/03/46/68/564034668.db2.gz XYDJUZUOALFWOY-UHFFFAOYSA-N 0 0 349.459 4.724 50 0 EJAARN O=C(/C=C/c1ccco1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000008115133 564034797 /nfs/dbraw/zinc/03/47/97/564034797.db2.gz JTEQOSAIISXHGU-IBDYFIJFSA-N 0 0 335.428 4.529 50 0 EJAARN Cc1cc2n(n1)[C@H](c1ccccc1C(F)(F)F)Nc1ccccc1-2 ZINC000000817691 564035012 /nfs/dbraw/zinc/03/50/12/564035012.db2.gz PSRGKHDIYHLUEE-QGZVFWFLSA-N 0 0 329.325 4.850 50 0 EJAARN O=C(NCc1nc(C2CCCCC2)cs1)c1ccc(Cl)s1 ZINC000390831729 564035089 /nfs/dbraw/zinc/03/50/89/564035089.db2.gz UKESCVCRYVTXMP-UHFFFAOYSA-N 0 0 340.901 4.836 50 0 EJAARN CCN(C[C@@H]1CCCCO1)C(=O)c1cccc(Oc2ccccc2)c1 ZINC000220330965 564035864 /nfs/dbraw/zinc/03/58/64/564035864.db2.gz PJOATLLHKBYRMW-FQEVSTJZSA-N 0 0 339.435 4.510 50 0 EJAARN CCC(CC)C(=O)Nc1ccc2nc(N3CCCCC3)cc(C)c2c1 ZINC000033084545 564036436 /nfs/dbraw/zinc/03/64/36/564036436.db2.gz ZTNKIHHJSPRHBU-UHFFFAOYSA-N 0 0 339.483 4.908 50 0 EJAARN CC(=O)c1cccc(NC(=O)C2(c3cccc(Cl)c3)CCC2)c1 ZINC000024590042 564036583 /nfs/dbraw/zinc/03/65/83/564036583.db2.gz CYYDPAZERQWDSP-UHFFFAOYSA-N 0 0 327.811 4.603 50 0 EJAARN Cc1[nH]c(-c2ccc(C)c(C)c2)cc1C(=O)N1CCc2ccccc2C1 ZINC000033281917 564036655 /nfs/dbraw/zinc/03/66/55/564036655.db2.gz UKPODVOUCGFIHE-UHFFFAOYSA-N 0 0 344.458 4.805 50 0 EJAARN COc1ccc(NC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)c(OC)c1 ZINC000040098616 564045114 /nfs/dbraw/zinc/04/51/14/564045114.db2.gz USTNCPRSPVRGKV-LBPRGKRZSA-N 0 0 348.830 4.582 50 0 EJAARN Cc1nsc(Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)n1 ZINC000225462074 564047017 /nfs/dbraw/zinc/04/70/17/564047017.db2.gz PRCYXVXWLBDWQK-UHFFFAOYSA-N 0 0 342.371 4.732 50 0 EJAARN Cc1cccc([C@@H]2CC(c3ccco3)=NN2C(=O)c2cccc(F)c2)c1 ZINC000225517279 564047466 /nfs/dbraw/zinc/04/74/66/564047466.db2.gz KVTYPZPZNUAASV-IBGZPJMESA-N 0 0 348.377 4.719 50 0 EJAARN Clc1ccccc1[C@H]1CCCN1c1nnc(-c2ccccn2)s1 ZINC000225585238 564048029 /nfs/dbraw/zinc/04/80/29/564048029.db2.gz DYXIDZCUKZCZKO-OAHLLOKOSA-N 0 0 342.855 4.595 50 0 EJAARN Cn1cc([C@@H](CC(=O)N2CCCC2)C2CCCCC2)c2ccccc21 ZINC000096277051 564049720 /nfs/dbraw/zinc/04/97/20/564049720.db2.gz ZZKPOWDPDRMOMJ-IBGZPJMESA-N 0 0 338.495 4.855 50 0 EJAARN C[C@@H](NC(=O)c1cc2ccccc2[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000030477667 564049828 /nfs/dbraw/zinc/04/98/28/564049828.db2.gz ODLRLIUPBXUZOO-LLVKDONJSA-N 0 0 332.325 4.678 50 0 EJAARN O=S(=O)(Nc1ccccc1SC1CCCC1)c1ccccc1 ZINC000032094431 564049981 /nfs/dbraw/zinc/04/99/81/564049981.db2.gz ZTMYNONEOGSGBB-UHFFFAOYSA-N 0 0 333.478 4.522 50 0 EJAARN Clc1cc(I)c(Cl)c(Cl)c1Cl ZINC000059593704 564050767 /nfs/dbraw/zinc/05/07/67/564050767.db2.gz CSBMIAKSTBBXEN-UHFFFAOYSA-N 0 0 341.790 4.905 50 0 EJAARN CCOc1ccccc1-c1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000239637007 564051631 /nfs/dbraw/zinc/05/16/31/564051631.db2.gz BIFHAIHOOPCHOL-UHFFFAOYSA-N 0 0 325.389 4.605 50 0 EJAARN C[C@]1(c2ccccc2)Nc2ccccc2-c2nc(-c3ccccc3)nn21 ZINC000240244238 564051734 /nfs/dbraw/zinc/05/17/34/564051734.db2.gz DLDCBSFVQPITLF-QFIPXVFZSA-N 0 0 338.414 4.759 50 0 EJAARN COc1ccc(F)c(NC(=O)N2CCc3c(cccc3C(C)C)C2)c1 ZINC000240757080 564051819 /nfs/dbraw/zinc/05/18/19/564051819.db2.gz HWDYGHAGCJBGIR-UHFFFAOYSA-N 0 0 342.414 4.548 50 0 EJAARN O=C(Nc1ccccc1SCC(F)(F)F)c1ccc(Cl)o1 ZINC000025089522 564053253 /nfs/dbraw/zinc/05/32/53/564053253.db2.gz MLQJKBJOHNMBPZ-UHFFFAOYSA-N 0 0 335.734 4.840 50 0 EJAARN CCSc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1 ZINC000000997462 564053918 /nfs/dbraw/zinc/05/39/18/564053918.db2.gz PLACSFJKADGKPX-UHFFFAOYSA-N 0 0 344.871 4.645 50 0 EJAARN Cc1ccsc1/C=C1/SC(=O)N(c2cccc(Cl)c2)C1=O ZINC000001006188 564053990 /nfs/dbraw/zinc/05/39/90/564053990.db2.gz FXYYDGAVRCVAFB-MDWZMJQESA-N 0 0 335.837 4.951 50 0 EJAARN O=c1c2ccccc2c(-c2ccccc2)nn1Cc1ccc(Cl)cc1 ZINC000001008918 564053997 /nfs/dbraw/zinc/05/39/97/564053997.db2.gz JESWQTSJOGWRKD-UHFFFAOYSA-N 0 0 346.817 4.765 50 0 EJAARN CC(C)N1C(=O)S/C(=C\c2ccc(-c3ccc(F)cc3)o2)C1=O ZINC000001018439 564054056 /nfs/dbraw/zinc/05/40/56/564054056.db2.gz YAFMRHGEFGVLPT-DHDCSXOGSA-N 0 0 331.368 4.530 50 0 EJAARN CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC(=O)[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257345971 564055868 /nfs/dbraw/zinc/05/58/68/564055868.db2.gz NTPXXNCDCQTPIF-XJUMGLGQSA-N 0 0 332.484 4.530 50 0 EJAARN CCOC(=O)c1sc2ncnc(Oc3ccc(Cl)cc3)c2c1C ZINC000015175015 564056041 /nfs/dbraw/zinc/05/60/41/564056041.db2.gz PZFMQJCQSPQTTG-UHFFFAOYSA-N 0 0 348.811 4.622 50 0 EJAARN Cc1ccc(-n2c(=O)c3c([nH]c2=S)sc2c3[C@@H](C)CCC2)cc1 ZINC000005818346 564056086 /nfs/dbraw/zinc/05/60/86/564056086.db2.gz CNBBWDBUXZAIAN-NSHDSACASA-N 0 0 342.489 4.858 50 0 EJAARN COC(=O)[C@H](C)n1c(Cc2cccc3ccccc32)nc2ccccc21 ZINC000082087018 564056210 /nfs/dbraw/zinc/05/62/10/564056210.db2.gz HUHIFCHXTGZHLI-HNNXBMFYSA-N 0 0 344.414 4.514 50 0 EJAARN O=C(c1ccc2ccccc2c1)N1CCC(Cc2ccccc2)CC1 ZINC000001179173 564056280 /nfs/dbraw/zinc/05/62/80/564056280.db2.gz KDGNDTLMHGFDSL-UHFFFAOYSA-N 0 0 329.443 4.935 50 0 EJAARN Cc1ccsc1[C@@H]1CC(=O)Nc2n[nH]c(-c3ccc(Cl)cc3)c21 ZINC000005885796 564056835 /nfs/dbraw/zinc/05/68/35/564056835.db2.gz FCWWWWJAGQEPFF-GFCCVEGCSA-N 0 0 343.839 4.574 50 0 EJAARN CSc1ccccc1C(=O)Nc1ccc(SC(F)F)cc1 ZINC000005937017 564057070 /nfs/dbraw/zinc/05/70/70/564057070.db2.gz AGVOPZQZAFGPOV-UHFFFAOYSA-N 0 0 325.405 4.976 50 0 EJAARN O=C(Cc1ccc(-c2ccccc2)cc1)NCCc1ccc(Cl)cc1 ZINC000005938262 564057179 /nfs/dbraw/zinc/05/71/79/564057179.db2.gz NFWIBQQKYCXZEB-UHFFFAOYSA-N 0 0 349.861 4.908 50 0 EJAARN COc1ccc2[nH]c(SCc3cc(F)cc4cccnc43)nc2c1 ZINC000031606480 564057837 /nfs/dbraw/zinc/05/78/37/564057837.db2.gz XTJANJALDRRWJP-UHFFFAOYSA-N 0 0 339.395 4.551 50 0 EJAARN Cc1nc(-c2ccsc2)sc1C(=O)NCc1ccc(C)c(F)c1 ZINC000012488824 564058020 /nfs/dbraw/zinc/05/80/20/564058020.db2.gz CRWCBMGXVFXRFP-UHFFFAOYSA-N 0 0 346.452 4.558 50 0 EJAARN Cc1sc2nc(CN(C)c3ccc4ccccc4c3)nc(N)c2c1C ZINC000012543606 564058749 /nfs/dbraw/zinc/05/87/49/564058749.db2.gz KHHNVFUJLKAUSG-UHFFFAOYSA-N 0 0 348.475 4.680 50 0 EJAARN CCOC(=O)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)n2CC ZINC000012546430 564058900 /nfs/dbraw/zinc/05/89/00/564058900.db2.gz DVQYWQJRDQMSHD-UHFFFAOYSA-N 0 0 328.799 4.553 50 0 EJAARN Cc1cc(C)c(NC(=O)c2cc3c(nc4ccccn43)s2)c(C)c1 ZINC000012546432 564058912 /nfs/dbraw/zinc/05/89/12/564058912.db2.gz CVXCRTQAZQYMJL-UHFFFAOYSA-N 0 0 335.432 4.727 50 0 EJAARN COc1ccc(CCC(=O)Nc2c(C)cc(C)cc2Cl)cc1OC ZINC000012552939 564059172 /nfs/dbraw/zinc/05/91/72/564059172.db2.gz QIPGGTQYXOQUJP-UHFFFAOYSA-N 0 0 347.842 4.545 50 0 EJAARN O=C(c1ccc(-c2nc3ccccc3s2)s1)N1CCCCC1 ZINC000003361282 564059471 /nfs/dbraw/zinc/05/94/71/564059471.db2.gz ZVACWHREJAIXQV-UHFFFAOYSA-N 0 0 328.462 4.651 50 0 EJAARN Cc1ccc(CCCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 ZINC000044383157 564060020 /nfs/dbraw/zinc/06/00/20/564060020.db2.gz WHDADWZHJIUTEB-FQEVSTJZSA-N 0 0 347.462 4.558 50 0 EJAARN CSc1ccccc1C(=O)N(Cc1ccsc1)CC(F)(F)F ZINC000044447515 564060146 /nfs/dbraw/zinc/06/01/46/564060146.db2.gz CGYUDOWNWLKLPK-UHFFFAOYSA-N 0 0 345.411 4.675 50 0 EJAARN Clc1cccc(CN2COc3c(cc(Cl)c4cccnc43)C2)c1 ZINC000012589378 564060205 /nfs/dbraw/zinc/06/02/05/564060205.db2.gz KDKWXOJMQIWBFJ-UHFFFAOYSA-N 0 0 345.229 4.894 50 0 EJAARN O=C(c1ccc(F)cc1Cl)N(c1ccccn1)C1CCCCC1 ZINC000012600704 564060403 /nfs/dbraw/zinc/06/04/03/564060403.db2.gz HTYUOCVHNPNKPH-UHFFFAOYSA-N 0 0 332.806 4.854 50 0 EJAARN Cc1ccc(-n2cnnc2SCc2ccc(F)cc2)cc1Cl ZINC000012609171 564060549 /nfs/dbraw/zinc/06/05/49/564060549.db2.gz WIJPUNVQMVXCSA-UHFFFAOYSA-N 0 0 333.819 4.661 50 0 EJAARN Cc1nc(-c2ccc(CNC(=O)c3ccc(C)cc3C)cc2)cs1 ZINC000012614476 564060640 /nfs/dbraw/zinc/06/06/40/564060640.db2.gz HHTPAMIYZGYIQB-UHFFFAOYSA-N 0 0 336.460 4.665 50 0 EJAARN CC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004024149 564061063 /nfs/dbraw/zinc/06/10/63/564061063.db2.gz JYYRDDFNMDZIIP-GRFWAMACSA-N 0 0 328.496 4.970 50 0 biogenic EJAARN CC(C)c1ncc(-c2cccc(C(=O)N(C)Cc3ccoc3)c2)s1 ZINC000534590947 564061224 /nfs/dbraw/zinc/06/12/24/564061224.db2.gz ZDKUMVSMYUDFPM-UHFFFAOYSA-N 0 0 340.448 4.799 50 0 EJAARN C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004026902 564061255 /nfs/dbraw/zinc/06/12/55/564061255.db2.gz SOMOGWLYTLQJGT-AZHACOMFSA-N 0 0 336.903 4.836 50 0 biogenic EJAARN O=C(CCSc1ccccc1)Nc1nc(-c2cccs2)cs1 ZINC000004078572 564061810 /nfs/dbraw/zinc/06/18/10/564061810.db2.gz UWFUECJPAOXUOJ-UHFFFAOYSA-N 0 0 346.502 4.993 50 0 EJAARN CCCCc1nc2ccccc2n1CC(=O)Nc1c(C)cccc1C ZINC000012657673 564062496 /nfs/dbraw/zinc/06/24/96/564062496.db2.gz WYMKYDGXAWYDQF-UHFFFAOYSA-N 0 0 335.451 4.634 50 0 EJAARN Cc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000001358613 564063376 /nfs/dbraw/zinc/06/33/76/564063376.db2.gz ICCCFRVOFPOVHQ-UHFFFAOYSA-N 0 0 336.460 4.625 50 0 EJAARN Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccccc1N1CCCC1 ZINC000045936424 564063904 /nfs/dbraw/zinc/06/39/04/564063904.db2.gz GXSDRSUEWCIAEH-UHFFFAOYSA-N 0 0 347.418 4.503 50 0 EJAARN Cc1nc2cc(N[C@@H](C)C(=O)Nc3cc(Cl)ccc3C)ccc2o1 ZINC000012730441 564064207 /nfs/dbraw/zinc/06/42/07/564064207.db2.gz LBGXJWYKPKRWEK-NSHDSACASA-N 0 0 343.814 4.537 50 0 EJAARN Cc1ccc(-c2nc3sc4c(ncnc4N)c3c3c2CCCC3)cc1 ZINC000001384164 564064219 /nfs/dbraw/zinc/06/42/19/564064219.db2.gz MSEDWRXIACSXOL-UHFFFAOYSA-N 0 0 346.459 4.676 50 0 EJAARN COc1cnc(SCc2ccc(Cl)c(Cl)c2)nc1SC ZINC000001388686 564064339 /nfs/dbraw/zinc/06/43/39/564064339.db2.gz GKKFQRLYQSKTLH-UHFFFAOYSA-N 0 0 347.292 4.806 50 0 EJAARN Cn1nc(-c2ccccc2)c(C(=O)Nc2ccc(Cl)cc2)c1Cl ZINC000001389107 564064356 /nfs/dbraw/zinc/06/43/56/564064356.db2.gz SIDDBZBJXDCUBA-UHFFFAOYSA-N 0 0 346.217 4.646 50 0 aggregator EJAARN Brc1ccc(CSc2nccn2-c2ccccc2)cc1 ZINC000001389977 564064374 /nfs/dbraw/zinc/06/43/74/564064374.db2.gz FWQUGMKGRHUQAN-UHFFFAOYSA-N 0 0 345.265 4.927 50 0 EJAARN CCCCCNC(=O)c1ccccc1SCc1c(C)noc1C ZINC000012734885 564064388 /nfs/dbraw/zinc/06/43/88/564064388.db2.gz ATLYBELCMPPJEF-UHFFFAOYSA-N 0 0 332.469 4.504 50 0 EJAARN FC(F)(F)c1nnc(-c2ccccc2)nc1Sc1ccccc1 ZINC000001390225 564064448 /nfs/dbraw/zinc/06/44/48/564064448.db2.gz ISEANBIBPVJLEN-UHFFFAOYSA-N 0 0 333.338 4.709 50 0 EJAARN COc1cnc(SC)nc1Sc1ccc(Cl)c(Cl)c1 ZINC000001391929 564064532 /nfs/dbraw/zinc/06/45/32/564064532.db2.gz UXGRKFNCVHUPGE-UHFFFAOYSA-N 0 0 333.265 4.665 50 0 EJAARN O=C(Nc1ccc(Cl)c(Cl)c1)OCc1cnc(Cl)s1 ZINC000001392585 564064573 /nfs/dbraw/zinc/06/45/73/564064573.db2.gz QRXZLGZTRRMYIQ-UHFFFAOYSA-N 0 0 337.615 4.852 50 0 EJAARN Cc1cc(C)cc(OC(F)(F)C(=O)Nc2ccc(Cl)cc2)c1 ZINC000001393225 564064618 /nfs/dbraw/zinc/06/46/18/564064618.db2.gz ISKPIBGEBXZCSU-UHFFFAOYSA-N 0 0 325.742 4.567 50 0 EJAARN Clc1ncc(CSc2nccc(-c3cccs3)n2)s1 ZINC000001393545 564064620 /nfs/dbraw/zinc/06/46/20/564064620.db2.gz OEQJVDFTXNWKPZ-UHFFFAOYSA-N 0 0 325.871 4.607 50 0 EJAARN CSc1ccccc1-c1nnc(SCc2ccc(F)cc2)o1 ZINC000001397959 564064767 /nfs/dbraw/zinc/06/47/67/564064767.db2.gz WXHJBAYWPDBMCY-UHFFFAOYSA-N 0 0 332.425 4.890 50 0 EJAARN COc1ccc2ccccc2c1[S@](=O)Nc1ccc(Cl)cc1 ZINC000001394217 564064710 /nfs/dbraw/zinc/06/47/10/564064710.db2.gz RVJXJMDMACIIHU-JOCHJYFZSA-N 0 0 331.824 4.637 50 0 EJAARN CSc1nnc(COc2cccc3ccccc32)n1-c1ccccc1 ZINC000001396273 564064885 /nfs/dbraw/zinc/06/48/85/564064885.db2.gz ZGZGDIFVFRKLTC-UHFFFAOYSA-N 0 0 347.443 4.721 50 0 EJAARN COc1ccc(NC(=O)CSc2ccc(Cl)c(Cl)c2)cc1 ZINC000001400517 564064966 /nfs/dbraw/zinc/06/49/66/564064966.db2.gz VIGAJYRUEWYVSV-UHFFFAOYSA-N 0 0 342.247 4.733 50 0 EJAARN CCOC(=O)c1c(C)n(C)c2cc(-c3ccc(C)c(C)c3)c(O)cc21 ZINC000001405241 564065138 /nfs/dbraw/zinc/06/51/38/564065138.db2.gz FBBRXXQQSWFVMI-UHFFFAOYSA-N 0 0 337.419 4.653 50 0 EJAARN FC(F)(F)c1cccc(CNc2ncnc3cc(Cl)ccc32)c1 ZINC000001405672 564065175 /nfs/dbraw/zinc/06/51/75/564065175.db2.gz MJDQSXPVMHGUFD-UHFFFAOYSA-N 0 0 337.732 4.914 50 0 EJAARN Cc1cc2c(cc1C(=O)Nc1cccc3ccccc31)OCCCO2 ZINC000046077753 564065266 /nfs/dbraw/zinc/06/52/66/564065266.db2.gz RUBRJNIDRZTKDB-UHFFFAOYSA-N 0 0 333.387 4.562 50 0 EJAARN CCN(C(=O)c1ccc(Cl)cc1F)c1nc2ccccc2s1 ZINC000012745674 564065628 /nfs/dbraw/zinc/06/56/28/564065628.db2.gz KENVPMLYIBLOGE-UHFFFAOYSA-N 0 0 334.803 4.756 50 0 EJAARN c1ccc(Cn2nc(-c3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000001414089 564065882 /nfs/dbraw/zinc/06/58/82/564065882.db2.gz WUBHSRBLGOEMSX-UHFFFAOYSA-N 0 0 336.398 4.695 50 0 EJAARN Cc1c(C(=O)OC2CCCC2)sc2nc(-c3ccco3)nc(C)c12 ZINC000084066899 564066056 /nfs/dbraw/zinc/06/60/56/564066056.db2.gz SYQLTPLZCFQDDG-UHFFFAOYSA-N 0 0 342.420 4.668 50 0 EJAARN Cc1cc2nc(C34CC5CC(CC(C5)C3)C4)cc(C(F)(F)F)n2n1 ZINC000005793385 564066197 /nfs/dbraw/zinc/06/61/97/564066197.db2.gz RSGXBOJCRSUMRP-UHFFFAOYSA-N 0 0 335.373 4.524 50 0 EJAARN C[C@H](SC/C=C/c1ccccc1)C(=O)Nc1ccc(F)cc1F ZINC000015493865 564066478 /nfs/dbraw/zinc/06/64/78/564066478.db2.gz QCVRLDGZJNYWHS-LJLILKBBSA-N 0 0 333.403 4.738 50 0 EJAARN Cc1[nH]c2ccccc2c1CCNc1ncnc2sc(C)c(C)c21 ZINC000001425897 564066759 /nfs/dbraw/zinc/06/67/59/564066759.db2.gz JPNOHNUKWHZDNK-UHFFFAOYSA-N 0 0 336.464 4.752 50 0 EJAARN Cc1ccc(Oc2ccc(NC(=O)c3cccc(N(C)C)c3)cn2)cc1 ZINC000084157313 564067067 /nfs/dbraw/zinc/06/70/67/564067067.db2.gz AVQSVAUXFCDMPO-UHFFFAOYSA-N 0 0 347.418 4.501 50 0 EJAARN Cc1cccc(NC(=O)N(Cc2c(F)cccc2Cl)C2CC2)c1 ZINC000012758577 564067254 /nfs/dbraw/zinc/06/72/54/564067254.db2.gz XFBIDJSJPXCQIZ-UHFFFAOYSA-N 0 0 332.806 4.984 50 0 EJAARN Cc1cccc([C@H]2CCCN2C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)c1 ZINC000084210699 564067403 /nfs/dbraw/zinc/06/74/03/564067403.db2.gz RALDVZPZHZDPSD-HXUWFJFHSA-N 0 0 349.409 4.502 50 0 EJAARN FC(F)(F)c1nc2ccccc2c(N[C@@H]2C[C@@H]2c2ccccc2)n1 ZINC000084525477 564068454 /nfs/dbraw/zinc/06/84/54/564068454.db2.gz BUWRPUDKFVOJAV-UKRRQHHQSA-N 0 0 329.325 4.617 50 0 EJAARN O=C(Nc1ccccc1-c1ccccc1)N[C@@H]1CCOc2ccccc21 ZINC000084562827 564068725 /nfs/dbraw/zinc/06/87/25/564068725.db2.gz NGDGFOFXGHQJQP-HXUWFJFHSA-N 0 0 344.414 4.999 50 0 EJAARN O=C(Nc1ccc(OC2CCCC2)cc1)[C@H]1Cc2ccccc2S1 ZINC000084581782 564068793 /nfs/dbraw/zinc/06/87/93/564068793.db2.gz UWZPDXAAXFYROT-LJQANCHMSA-N 0 0 339.460 4.664 50 0 EJAARN C[C@@H](NC(=O)c1csc(-c2ccc(F)cc2)n1)c1ccc(F)cc1 ZINC000012771192 564068886 /nfs/dbraw/zinc/06/88/86/564068886.db2.gz CMEXYJODFYMACR-LLVKDONJSA-N 0 0 344.386 4.579 50 0 EJAARN CSc1ccccc1NC(=O)Cc1coc2cc(C)c(C)cc12 ZINC000012771456 564068954 /nfs/dbraw/zinc/06/89/54/564068954.db2.gz AASCSILARVOCSI-UHFFFAOYSA-N 0 0 325.433 4.953 50 0 EJAARN O=C(Nc1cccc(CNc2nc3ccccc3o2)c1)C1CCCCC1 ZINC000084600446 564069022 /nfs/dbraw/zinc/06/90/22/564069022.db2.gz VBWBNLMRPOJMNT-UHFFFAOYSA-N 0 0 349.434 4.959 50 0 EJAARN O=C(Nc1nc2ccccc2s1)N[C@H]1CCc2c1cccc2Cl ZINC000084603696 564069023 /nfs/dbraw/zinc/06/90/23/564069023.db2.gz HNSNJERSMJVKON-ZDUSSCGKSA-N 0 0 343.839 4.759 50 0 EJAARN O=C(Nc1ccccn1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000084613266 564069082 /nfs/dbraw/zinc/06/90/82/564069082.db2.gz MFXPMJRMZDCQGU-UHFFFAOYSA-N 0 0 336.222 4.585 50 0 EJAARN C[C@H](Cc1ccccc1F)NC(=O)c1cc(C2CC2)nc2ccccc21 ZINC000084640790 564069319 /nfs/dbraw/zinc/06/93/19/564069319.db2.gz YPJPQKRAMHBNJO-CQSZACIVSA-N 0 0 348.421 4.612 50 0 EJAARN C[C@H](NC(=S)N1CCCCC[C@@H]1c1ccncc1)c1ccccc1 ZINC000084656609 564069389 /nfs/dbraw/zinc/06/93/89/564069389.db2.gz CZZPYZOVVLHTPW-QFBILLFUSA-N 0 0 339.508 4.634 50 0 EJAARN C[C@@H]1C[C@@H]1c1ccc(CN(C)Cc2coc(-c3cccc(F)c3)n2)o1 ZINC000084688943 564069593 /nfs/dbraw/zinc/06/95/93/564069593.db2.gz LCNSCOUFSKTQAA-ACJLOTCBSA-N 0 0 340.398 4.829 50 0 EJAARN C[C@@H]1CCCN(C(=O)N[C@@H](c2cc3ccccc3o2)c2ccccc2)C1 ZINC000084697470 564069655 /nfs/dbraw/zinc/06/96/55/564069655.db2.gz JDKXIXWXHOYWSX-IIBYNOLFSA-N 0 0 348.446 4.964 50 0 EJAARN CC[C@H]1c2ccsc2CCN1C(=O)Cn1cc(C)c2ccccc21 ZINC000084736546 564069915 /nfs/dbraw/zinc/06/99/15/564069915.db2.gz CPZKBXFGIAAZIG-KRWDZBQOSA-N 0 0 338.476 4.547 50 0 EJAARN CCN(Cc1cccs1)C(=O)c1ccc(-c2cccs2)nc1C ZINC000084777587 564070143 /nfs/dbraw/zinc/07/01/43/564070143.db2.gz LDYPUVZSNUHHBK-UHFFFAOYSA-N 0 0 342.489 4.842 50 0 EJAARN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(F)c1 ZINC000012784809 564070236 /nfs/dbraw/zinc/07/02/36/564070236.db2.gz 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Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O ZINC000006090519 564073810 /nfs/dbraw/zinc/07/38/10/564073810.db2.gz ALCBDBHPDXPZIO-MHWRWJLKSA-N 0 0 343.835 4.885 50 0 EJAARN CCc1ccc(NC(=O)NCc2nc(-c3ccccc3C)oc2C)cc1 ZINC000015774668 564073835 /nfs/dbraw/zinc/07/38/35/564073835.db2.gz FBGAQLKYQCSAFN-UHFFFAOYSA-N 0 0 349.434 4.843 50 0 EJAARN Cc1oc(-c2ccc(C)cc2)nc1CNC(=O)Nc1cc(C)ccc1C ZINC000015774617 564073841 /nfs/dbraw/zinc/07/38/41/564073841.db2.gz BLKMAGUNMXAJFR-UHFFFAOYSA-N 0 0 349.434 4.897 50 0 EJAARN CCc1ccccc1Nc1nnc(-n2nc(C)cc2C)c2ccccc21 ZINC000015777662 564074090 /nfs/dbraw/zinc/07/40/90/564074090.db2.gz RNQUSUYAYHUARA-UHFFFAOYSA-N 0 0 343.434 4.738 50 0 EJAARN Cc1ccc(CSc2nncn2-c2ccc(C)c(Cl)c2)cc1 ZINC000006103701 564074103 /nfs/dbraw/zinc/07/41/03/564074103.db2.gz JAHNXGKMGJIKKC-UHFFFAOYSA-N 0 0 329.856 4.830 50 0 EJAARN O=C1/C(=C\c2ccco2)SC(=Nc2ccccc2)N1C1CCCC1 ZINC000006111317 564074306 /nfs/dbraw/zinc/07/43/06/564074306.db2.gz QSTYTUXCWQUINK-WSRIWQLKSA-N 0 0 338.432 4.826 50 0 EJAARN C[C@@H]1CCc2nc3ccccc3c(C(=O)NC3CCCCCC3)c2C1 ZINC000006112602 564074356 /nfs/dbraw/zinc/07/43/56/564074356.db2.gz VFQZKTBXWXBIMF-OAHLLOKOSA-N 0 0 336.479 4.812 50 0 EJAARN C[C@H](Sc1ncnc2sccc21)C(=O)c1ccc2c(c1)CCC2 ZINC000006115342 564074413 /nfs/dbraw/zinc/07/44/13/564074413.db2.gz LWGYAVYTSAZNIU-NSHDSACASA-N 0 0 340.473 4.544 50 0 EJAARN CC[C@@H]1CCc2c(sc(N)c2C(=O)Nc2ccccc2Cl)C1 ZINC000006119497 564074424 /nfs/dbraw/zinc/07/44/24/564074424.db2.gz OZJGXGCEDOTXRY-SNVBAGLBSA-N 0 0 334.872 4.751 50 0 EJAARN C[C@H](NC(=O)[C@H]1Cc2ccccc2O1)c1ccc(-c2ccccc2)cc1 ZINC000012848037 564075245 /nfs/dbraw/zinc/07/52/45/564075245.db2.gz JXZGSIXBZBIRSQ-KSFYIVLOSA-N 0 0 343.426 4.535 50 0 EJAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1F ZINC000012856234 564075478 /nfs/dbraw/zinc/07/54/78/564075478.db2.gz JGAXBMBPOJHNNM-UHFFFAOYSA-N 0 0 326.293 4.508 50 0 EJAARN CC[C@H](C)C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000012860960 564075697 /nfs/dbraw/zinc/07/56/97/564075697.db2.gz 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O=C(Cc1c(Cl)cccc1Cl)N[C@@H](c1cccs1)C1CC1 ZINC000012912297 564077946 /nfs/dbraw/zinc/07/79/46/564077946.db2.gz QVOKBQOMJDSFCW-MRXNPFEDSA-N 0 0 340.275 4.865 50 0 EJAARN CCCc1cc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)sc1C ZINC000012912168 564077953 /nfs/dbraw/zinc/07/79/53/564077953.db2.gz LBMRIXWCSRJGKM-UHFFFAOYSA-N 0 0 342.468 4.587 50 0 EJAARN O=C(N[C@@H](c1nccs1)C1CC1)N1CCCCC[C@@H]1c1ccco1 ZINC000074708537 564079028 /nfs/dbraw/zinc/07/90/28/564079028.db2.gz QKUSZDOTIAEREZ-GDBMZVCRSA-N 0 0 345.468 4.514 50 0 EJAARN CC(C)Nc1nnc(S[C@@H](C)c2nc3ccccc3s2)s1 ZINC000012940236 564079464 /nfs/dbraw/zinc/07/94/64/564079464.db2.gz COPVQNBNISOYGD-VIFPVBQESA-N 0 0 336.511 4.821 50 0 EJAARN Cc1ccc(N(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)C(C)C)cc1 ZINC000075094280 564079913 /nfs/dbraw/zinc/07/99/13/564079913.db2.gz OYGHVHSBDMBNNF-UHFFFAOYSA-N 0 0 346.430 4.609 50 0 EJAARN COc1ccc(C)cc1[C@H](C)NC(=O)Nc1scnc1C(C)(C)C ZINC000075094147 564079929 /nfs/dbraw/zinc/07/99/29/564079929.db2.gz NZLQIDCOCWEYNG-LBPRGKRZSA-N 0 0 347.484 4.640 50 0 EJAARN CCN(C(=O)Nc1ccc(OCC(F)(F)F)c(C)c1)C1CCCC1 ZINC000075105248 564080189 /nfs/dbraw/zinc/08/01/89/564080189.db2.gz AYZOEJIOWDDZAX-UHFFFAOYSA-N 0 0 344.377 4.733 50 0 EJAARN O=C(Nc1cccs1)N(CCc1cccs1)Cc1ccco1 ZINC000075154768 564080812 /nfs/dbraw/zinc/08/08/12/564080812.db2.gz RPNITGOXPDMJQB-UHFFFAOYSA-N 0 0 332.450 4.679 50 0 EJAARN O=C(CCSc1ccccc1)N1CCC(c2ccsc2)CC1 ZINC000075157132 564080891 /nfs/dbraw/zinc/08/08/91/564080891.db2.gz CNMFNWRWMVVCHZ-UHFFFAOYSA-N 0 0 331.506 4.637 50 0 EJAARN O=C1c2ccccc2[C@H]2C[C@H](SCc3ccccc3)c3cccn3N12 ZINC000075278993 564081401 /nfs/dbraw/zinc/08/14/01/564081401.db2.gz ZZHRXUVMOKNSDH-UXHICEINSA-N 0 0 346.455 4.699 50 0 EJAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(F)cc2)o1 ZINC000000385956 564081602 /nfs/dbraw/zinc/08/16/02/564081602.db2.gz FKLZLVMZAXCPPU-NQIIRXRSSA-N 0 0 348.377 4.969 50 0 EJAARN CCc1ccc(NC(=O)c2cc3ccc4ccc(C)nc4c3[nH]2)cc1 ZINC000075346743 564081930 /nfs/dbraw/zinc/08/19/30/564081930.db2.gz PWRMMCXHKQVTNM-UHFFFAOYSA-N 0 0 329.403 4.839 50 0 EJAARN CC[C@H](C)NC(=O)Nc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000075343522 564081955 /nfs/dbraw/zinc/08/19/55/564081955.db2.gz QNPRNOLRWGUHSK-LBPRGKRZSA-N 0 0 325.387 4.894 50 0 EJAARN O=C(NCc1ccc(-c2ccoc2)o1)NCc1cccc2ccccc21 ZINC000575609314 564082519 /nfs/dbraw/zinc/08/25/19/564082519.db2.gz ATIJFYRICLTWMQ-UHFFFAOYSA-N 0 0 346.386 4.692 50 0 EJAARN Brc1cccc2c1-c1c(Br)cccc1CC2 ZINC000000402494 564082632 /nfs/dbraw/zinc/08/26/32/564082632.db2.gz CTMGPGNKFGKDGE-UHFFFAOYSA-N 0 0 338.042 4.977 50 0 EJAARN O=C(CCc1ccccc1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000006219545 564083003 /nfs/dbraw/zinc/08/30/03/564083003.db2.gz ZWIJKOBAJNSAJN-UHFFFAOYSA-N 0 0 344.386 4.660 50 0 EJAARN FC(F)(F)c1ccc2c(cnn2[C@@H]2CCCCO2)c1Br ZINC000575631081 564083087 /nfs/dbraw/zinc/08/30/87/564083087.db2.gz RYXRJVPOPIYYCM-NSHDSACASA-N 0 0 349.150 4.517 50 0 EJAARN CCc1nc2c3ccccc3oc2c(Nc2ccc(N(C)C)cc2)n1 ZINC000006243777 564083177 /nfs/dbraw/zinc/08/31/77/564083177.db2.gz PEYFYXPWUQLXKO-UHFFFAOYSA-N 0 0 332.407 4.748 50 0 EJAARN C[C@H](OC(=O)c1sc2ccccc2c1Cl)C(=O)c1ccccc1 ZINC000006260227 564083303 /nfs/dbraw/zinc/08/33/03/564083303.db2.gz ZPKPSGZMLZWQJC-NSHDSACASA-N 0 0 344.819 4.983 50 0 EJAARN Cc1cc(C)cc(C(=O)Nc2ccc(Br)cc2Cl)c1 ZINC000006260113 564083318 /nfs/dbraw/zinc/08/33/18/564083318.db2.gz ZCDIMXZFTIGQKS-UHFFFAOYSA-N 0 0 338.632 4.972 50 0 EJAARN CCc1sc(C(=O)NCc2ccc(Cl)cc2Cl)cc1C ZINC000006284490 564083545 /nfs/dbraw/zinc/08/35/45/564083545.db2.gz PUVDIRNAYDWSLU-UHFFFAOYSA-N 0 0 328.264 4.856 50 0 EJAARN Cc1cc(OCC(=O)Nc2cccc3cccnc32)cc(C)c1Cl ZINC000006281040 564083546 /nfs/dbraw/zinc/08/35/46/564083546.db2.gz GPMYSGJAPYTJGC-UHFFFAOYSA-N 0 0 340.810 4.523 50 0 EJAARN Cc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c(C)c1 ZINC000006281755 564083557 /nfs/dbraw/zinc/08/35/57/564083557.db2.gz DXLDPWKBKVHQKY-UHFFFAOYSA-N 0 0 326.396 4.818 50 0 EJAARN C[C@H](CC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000006286355 564083579 /nfs/dbraw/zinc/08/35/79/564083579.db2.gz AOXRSKUULCGCFZ-YLRAVNRJSA-N 0 0 325.496 4.901 50 0 EJAARN O=C(/C=C\c1ccccc1)Nc1ccc(Br)cc1Cl ZINC000096601711 564084086 /nfs/dbraw/zinc/08/40/86/564084086.db2.gz IYUYUJZWVQHSGC-TWGQIWQCSA-N 0 0 336.616 4.754 50 0 EJAARN Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000090400074 564084385 /nfs/dbraw/zinc/08/43/85/564084385.db2.gz DWYUDIRFZOHXDD-UHFFFAOYSA-N 0 0 345.324 4.656 50 0 EJAARN Oc1ccc(-n2c(-c3ccccc3)cn3c4ccccc4nc32)cc1 ZINC000006315816 564084538 /nfs/dbraw/zinc/08/45/38/564084538.db2.gz WQMWKVZRBZXYAU-UHFFFAOYSA-N 0 0 325.371 4.651 50 0 EJAARN CCc1ccc2c(c1)N=C(c1ccc(F)cc1)NC(c1ccncc1)=N2 ZINC000006743723 564084828 /nfs/dbraw/zinc/08/48/28/564084828.db2.gz IUPIUXTZBPHDBI-UHFFFAOYSA-N 0 0 344.393 4.734 50 0 EJAARN Cc1ccc(-c2csc(NC(=O)[C@@H](C)Oc3ccccc3)n2)cc1 ZINC000006341854 564085129 /nfs/dbraw/zinc/08/51/29/564085129.db2.gz OWRWYFDHVXFHBU-CQSZACIVSA-N 0 0 338.432 4.525 50 0 EJAARN CCCn1c(C)nnc1SCc1csc(-c2ccc(C)cc2)n1 ZINC000006400332 564085564 /nfs/dbraw/zinc/08/55/64/564085564.db2.gz DOWCZORXJJMHBQ-UHFFFAOYSA-N 0 0 344.509 4.721 50 0 EJAARN Cc1ccc(NC(=O)CCc2ccc3[nH]c(C(C)C)nc3c2)cc1F ZINC000075465765 564086071 /nfs/dbraw/zinc/08/60/71/564086071.db2.gz WZLPBVNYPFBQQY-UHFFFAOYSA-N 0 0 339.414 4.705 50 0 EJAARN Cc1ccc(NC(=O)CCc2ccc3[nH]c(C(C)C)nc3c2)c(C)c1 ZINC000075478738 564086639 /nfs/dbraw/zinc/08/66/39/564086639.db2.gz CZYGMJBDHKOTDC-UHFFFAOYSA-N 0 0 335.451 4.874 50 0 EJAARN CC(=O)c1ccc(C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)s1 ZINC000013011417 564086725 /nfs/dbraw/zinc/08/67/25/564086725.db2.gz NNDFUVPZGVLJNW-NSHDSACASA-N 0 0 327.405 4.530 50 0 EJAARN CCn1c(-c2ccc(OC)c(F)c2)csc1=Nc1ccccc1 ZINC000252669141 564086966 /nfs/dbraw/zinc/08/69/66/564086966.db2.gz GOYJPZQMECJLBY-UHFFFAOYSA-N 0 0 328.412 4.617 50 0 EJAARN CCCCOc1ccccc1NC(=O)/C=C/c1ccccc1OC ZINC000001782308 564087569 /nfs/dbraw/zinc/08/75/69/564087569.db2.gz PXSMSKCYSQNRNQ-BUHFOSPRSA-N 0 0 325.408 4.526 50 0 EJAARN Cc1nc(-c2cccc(NC(=O)c3ccc(Cl)c(Cl)c3)c2)no1 ZINC000064330412 564087734 /nfs/dbraw/zinc/08/77/34/564087734.db2.gz CIMGRSMLKHKADO-UHFFFAOYSA-N 0 0 348.189 4.604 50 0 EJAARN Cc1cccc(NC(=O)[C@H]2[C@@H]3CC[C@@H]4[C@H](CC[C@@H]32)C4(Cl)Cl)c1 ZINC000239310474 564088083 /nfs/dbraw/zinc/08/80/83/564088083.db2.gz ILZRVBWTTJKFOR-HUSMAVQQSA-N 0 0 338.278 4.790 50 0 aggregator EJAARN O=C(Nc1ccc(F)cc1)[C@H]1[C@@H]2CC[C@@H]3[C@H](CC[C@H]21)C3(Cl)Cl ZINC000245240208 564088643 /nfs/dbraw/zinc/08/86/43/564088643.db2.gz NLTXPOMUPHQBKJ-ZSAUSMIDSA-N 0 0 342.241 4.620 50 0 EJAARN Cc1ccccc1Nc1ncnc2c1cnn2-c1ccc(Cl)cc1 ZINC000001818254 564088729 /nfs/dbraw/zinc/08/87/29/564088729.db2.gz DWWVWFRNYBWMKL-UHFFFAOYSA-N 0 0 335.798 4.521 50 0 EJAARN Cc1[nH]nc(NC(=O)c2cccc(C)c2)c1-c1cccc(Cl)c1 ZINC000075559060 564089524 /nfs/dbraw/zinc/08/95/24/564089524.db2.gz XVURUOBJZXFHIC-UHFFFAOYSA-N 0 0 325.799 4.599 50 0 EJAARN COC(=O)N(C)c1ccc(NCc2cccc(-c3ccncc3)c2)cc1 ZINC000089365238 564089844 /nfs/dbraw/zinc/08/98/44/564089844.db2.gz FCYTUOXPTDMZJY-UHFFFAOYSA-N 0 0 347.418 4.563 50 0 EJAARN CCOCCCNc1nc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000001912240 564089964 /nfs/dbraw/zinc/08/99/64/564089964.db2.gz NZCFORJCTQFYBT-UHFFFAOYSA-N 0 0 341.842 4.789 50 0 EJAARN O=c1c2c3c(sc2nc2scc(-c4ccccc4)n21)CCCC3 ZINC000001929754 564090276 /nfs/dbraw/zinc/09/02/76/564090276.db2.gz SNXFUBCLHZWDII-UHFFFAOYSA-N 0 0 338.457 4.517 50 0 EJAARN CCc1cc(=O)oc2cc(OCc3ccccc3OC)c(Cl)cc12 ZINC000000315056 564090486 /nfs/dbraw/zinc/09/04/86/564090486.db2.gz NFFCSAXSUZQQSU-UHFFFAOYSA-N 0 0 344.794 4.596 50 0 biogenic EJAARN CC(=O)N(CC[C@H](Cc1ccccc1)c1ccco1)Cc1ccco1 ZINC000000490635 564090559 /nfs/dbraw/zinc/09/05/59/564090559.db2.gz FEFIQTAHTILAMN-LJQANCHMSA-N 0 0 337.419 4.638 50 0 biogenic EJAARN c1csc(CN=Nc2nc3ccccc3nc2-c2ccccc2)c1 ZINC000252613891 564090743 /nfs/dbraw/zinc/09/07/43/564090743.db2.gz JEFAWIIYFVGOHJ-UHFFFAOYSA-N 0 0 330.416 4.804 50 0 EJAARN Cc1ccc(NC(=O)c2nc3cc(C)c(C)cc3nc2OC(C)C)cc1 ZINC000064439035 564091365 /nfs/dbraw/zinc/09/13/65/564091365.db2.gz UBVZTRZMESWSLF-UHFFFAOYSA-N 0 0 349.434 4.595 50 0 EJAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000006510876 564091366 /nfs/dbraw/zinc/09/13/66/564091366.db2.gz GDJJHDHFCZYBJP-UHFFFAOYSA-N 0 0 346.160 4.776 50 0 EJAARN CC(C)c1ccccc1NC(=S)NCCc1c[nH]c2ccccc12 ZINC000006541237 564091832 /nfs/dbraw/zinc/09/18/32/564091832.db2.gz JUXVHUTYHSXSTR-UHFFFAOYSA-N 0 0 337.492 4.820 50 0 EJAARN CN(C(=O)COc1cccc(Oc2ccccc2)c1)C1CCCCC1 ZINC000006544370 564091911 /nfs/dbraw/zinc/09/19/11/564091911.db2.gz VIKAUXYHSSGHJX-UHFFFAOYSA-N 0 0 339.435 4.649 50 0 EJAARN Cc1ccc(Nc2ccccc2NS(=O)(=O)c2ccccc2)cc1 ZINC000006551246 564091986 /nfs/dbraw/zinc/09/19/86/564091986.db2.gz COOQQVRFGRWDAK-UHFFFAOYSA-N 0 0 338.432 4.539 50 0 EJAARN Cc1ccc2[nH]c3nc(SCc4ccc(Cl)cc4)nnc3c2c1 ZINC000006556944 564092059 /nfs/dbraw/zinc/09/20/59/564092059.db2.gz QXPQGZCLGZBZET-UHFFFAOYSA-N 0 0 340.839 4.760 50 0 EJAARN O=C(Nc1nc2ccc(F)cc2s1)c1csc2c1CCCC2 ZINC000006560662 564092122 /nfs/dbraw/zinc/09/21/22/564092122.db2.gz PHHAWIITAUMRRX-UHFFFAOYSA-N 0 0 332.425 4.628 50 0 EJAARN COc1cc(Cl)ccc1NC(=O)c1c(C)nc2ccccc2c1C ZINC000006601752 564092690 /nfs/dbraw/zinc/09/26/90/564092690.db2.gz SLMGBAJYARRFSX-UHFFFAOYSA-N 0 0 340.810 4.766 50 0 EJAARN c1c(-c2ccccc2)sc2ncnc(SC[C@H]3CCCO3)c12 ZINC000006602312 564092700 /nfs/dbraw/zinc/09/27/00/564092700.db2.gz YHCHTSMYBVKGPR-CYBMUJFWSA-N 0 0 328.462 4.629 50 0 EJAARN CC[C@@H](C(=O)NCCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000006606748 564093139 /nfs/dbraw/zinc/09/31/39/564093139.db2.gz KUDDLMLNVQLMGY-MRXNPFEDSA-N 0 0 336.262 4.846 50 0 EJAARN CCC(=O)c1cccc(-c2ccc(C(=O)N3CCC[C@@H]3CC)cc2)c1 ZINC000426387153 564093562 /nfs/dbraw/zinc/09/35/62/564093562.db2.gz VVHVSHBJEZTWNW-FQEVSTJZSA-N 0 0 335.447 4.961 50 0 EJAARN CCCCOc1cc(F)ccc1-c1c[nH]c(C(=O)N2CCCCC2)c1 ZINC000426434850 564093754 /nfs/dbraw/zinc/09/37/54/564093754.db2.gz NKLWQQDWXRVFNM-UHFFFAOYSA-N 0 0 344.430 4.626 50 0 EJAARN CC1=CCN(C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)CC1 ZINC000426511756 564093936 /nfs/dbraw/zinc/09/39/36/564093936.db2.gz SBCOBYSOHWBDNH-UHFFFAOYSA-N 0 0 346.405 4.833 50 0 EJAARN COc1ccc(Cl)cc1-c1ccc(C(=O)N2CCCCC2)cc1 ZINC000426618370 564094247 /nfs/dbraw/zinc/09/42/47/564094247.db2.gz PMXDTWGGGVVRLL-UHFFFAOYSA-N 0 0 329.827 4.642 50 0 EJAARN CCCCC1CCC(C2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC000002063841 564094337 /nfs/dbraw/zinc/09/43/37/564094337.db2.gz PDNKYVJUVFPRRA-UHFFFAOYSA-N 0 0 335.532 4.648 50 0 EJAARN CC(C)C[C@@H](C)NC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000002065848 564094392 /nfs/dbraw/zinc/09/43/92/564094392.db2.gz OPIYFNCNOUJGON-SJORKVTESA-N 0 0 337.463 4.572 50 0 EJAARN COCCC[C@H]1CCCN(C(=O)c2ccc(-c3ccsc3)cc2)C1 ZINC000426728229 564094443 /nfs/dbraw/zinc/09/44/43/564094443.db2.gz HMTHJSPVNFKROR-MRXNPFEDSA-N 0 0 343.492 4.694 50 0 EJAARN O=C(COc1ccc(Cl)c2cccnc12)Nc1ccc(Cl)cc1 ZINC000006633517 564094662 /nfs/dbraw/zinc/09/46/62/564094662.db2.gz KSKNRBMGCRSQAC-UHFFFAOYSA-N 0 0 347.201 4.559 50 0 EJAARN O=C(Cn1c(-c2cccs2)cc2ccccc21)N1CCCCCC1 ZINC000064657458 564094758 /nfs/dbraw/zinc/09/47/58/564094758.db2.gz USMLFBKOCORDPA-UHFFFAOYSA-N 0 0 338.476 4.772 50 0 EJAARN CC(C)CCn1cnc2c(-c3ccc(Cl)cc3)csc2c1=O ZINC000064667759 564095018 /nfs/dbraw/zinc/09/50/18/564095018.db2.gz FQDLTMKLSBXGQL-UHFFFAOYSA-N 0 0 332.856 4.825 50 0 EJAARN Cc1nc(-c2ccc(-c3noc(COc4ccccc4)n3)cc2)cs1 ZINC000064669097 564095038 /nfs/dbraw/zinc/09/50/38/564095038.db2.gz PXTIRTAACWHKNT-UHFFFAOYSA-N 0 0 349.415 4.748 50 0 EJAARN c1coc(-c2nc(-c3ccc(-c4csc(C5CC5)n4)cc3)no2)c1 ZINC000064669200 564095040 /nfs/dbraw/zinc/09/50/40/564095040.db2.gz HOHJQDRZAYBJGE-UHFFFAOYSA-N 0 0 335.388 4.998 50 0 EJAARN Cc1ccc(-c2cn3ccn(-c4ccc(C(C)C)cc4)c(=O)c3n2)cc1 ZINC000064675417 564095138 /nfs/dbraw/zinc/09/51/38/564095138.db2.gz FGSWSZONMBKAJN-UHFFFAOYSA-N 0 0 343.430 4.584 50 0 EJAARN Cc1ccc(CNc2ccc(-c3nc(-c4cccc(C)c4)no3)cn2)o1 ZINC000064676851 564095231 /nfs/dbraw/zinc/09/52/31/564095231.db2.gz WBYBGVGOINDFAR-UHFFFAOYSA-N 0 0 346.390 4.621 50 0 EJAARN Cc1nc(-c2cccc(-c3noc(-c4ccccc4F)n3)c2)cs1 ZINC000064677010 564095242 /nfs/dbraw/zinc/09/52/42/564095242.db2.gz CSVJAOAIIIOUSR-UHFFFAOYSA-N 0 0 337.379 4.975 50 0 EJAARN Cc1csc(-c2cc(NC(=O)c3cccc(F)c3)c(C)s2)n1 ZINC000064677953 564095320 /nfs/dbraw/zinc/09/53/20/564095320.db2.gz HZEYBAMZTJLJIG-UHFFFAOYSA-N 0 0 332.425 4.880 50 0 EJAARN CCc1nc(-c2ccc(C(=O)N3CCc4ccccc43)cc2)cs1 ZINC000064677424 564095359 /nfs/dbraw/zinc/09/53/59/564095359.db2.gz FCAZZDMIWUMNSR-UHFFFAOYSA-N 0 0 334.444 4.575 50 0 EJAARN Cc1cc(OCC(=O)N[C@H](C)c2cccc(Cl)c2)ccc1Cl ZINC000006654241 564095513 /nfs/dbraw/zinc/09/55/13/564095513.db2.gz WQYWEMDGNBDHAP-GFCCVEGCSA-N 0 0 338.234 4.558 50 0 EJAARN O=C(Cc1c[nH]c2ccccc12)N(Cc1ccco1)Cc1ccccc1 ZINC000006670693 564095770 /nfs/dbraw/zinc/09/57/70/564095770.db2.gz MBHNXNGVILIOMI-UHFFFAOYSA-N 0 0 344.414 4.532 50 0 EJAARN COc1c2cc(Cl)ccc2sc1C(=O)NCc1cccc(C)c1 ZINC000064756711 564095935 /nfs/dbraw/zinc/09/59/35/564095935.db2.gz UCWMAVZKUXLAOB-UHFFFAOYSA-N 0 0 345.851 4.802 50 0 EJAARN CCCNC(=O)C[C@H](c1cn(C)c2ccccc12)c1ccc(C)cc1 ZINC000006705535 564096260 /nfs/dbraw/zinc/09/62/60/564096260.db2.gz FZWBLGWSTRYGMF-IBGZPJMESA-N 0 0 334.463 4.535 50 0 EJAARN CC[C@@H](C)NC(=O)C[C@H](c1cn(C)c2ccccc12)c1ccc(C)cc1 ZINC000006724408 564096414 /nfs/dbraw/zinc/09/64/14/564096414.db2.gz KSERCXYTYDHOSG-XLIONFOSSA-N 0 0 348.490 4.923 50 0 EJAARN Cc1ccc(-c2noc3c2ncnc3Nc2cccc(C)c2C)cc1 ZINC000064820888 564096614 /nfs/dbraw/zinc/09/66/14/564096614.db2.gz LXEHMJJSFPSKMF-UHFFFAOYSA-N 0 0 330.391 4.954 50 0 EJAARN Cc1ccc(-c2noc3c2nc(C)nc3NCc2ccccc2C)cc1 ZINC000064835236 564096704 /nfs/dbraw/zinc/09/67/04/564096704.db2.gz PZLVZVVEWQOVAF-UHFFFAOYSA-N 0 0 344.418 4.822 50 0 EJAARN Cc1ccc(-c2nnn3c2nc(NC2CCCC2)c2ccccc23)cc1 ZINC000006738894 564096730 /nfs/dbraw/zinc/09/67/30/564096730.db2.gz KFVIQRUXMCJNAL-UHFFFAOYSA-N 0 0 343.434 4.607 50 0 EJAARN CCCCCNc1nc2c(-c3ccc(C)cc3)nnn2c2ccccc21 ZINC000006738877 564096733 /nfs/dbraw/zinc/09/67/33/564096733.db2.gz UKTMNDYKABSECW-UHFFFAOYSA-N 0 0 345.450 4.855 50 0 EJAARN CCc1ccc(CN(Cc2ccco2)C(=O)c2ccc(C)cc2)cc1 ZINC000006747413 564096940 /nfs/dbraw/zinc/09/69/40/564096940.db2.gz ODHZDKDRKKAWAT-UHFFFAOYSA-N 0 0 333.431 4.993 50 0 EJAARN CC[C@H](Nc1c(=O)c(=O)c1-c1ccc(C(C)C)cc1)c1cccs1 ZINC000006749343 564097122 /nfs/dbraw/zinc/09/71/22/564097122.db2.gz UOBUPDORSCOZGJ-HNNXBMFYSA-N 0 0 339.460 4.698 50 0 EJAARN Cc1ccccc1N1C(=O)c2ccccc2[C@@H]1Nc1ccccc1F ZINC000006769874 564097471 /nfs/dbraw/zinc/09/74/71/564097471.db2.gz OULUHXQUULDPNX-HXUWFJFHSA-N 0 0 332.378 4.905 50 0 EJAARN Cc1c(NC(=O)CC(C)C)cccc1-c1nc2cccnc2s1 ZINC000006781404 564097633 /nfs/dbraw/zinc/09/76/33/564097633.db2.gz YUSKFSYXJJACMC-UHFFFAOYSA-N 0 0 325.437 4.651 50 0 EJAARN Cc1ccc(Cl)cc1Nc1nc2ccc(Cl)cc2n2cnnc12 ZINC000006786377 564097684 /nfs/dbraw/zinc/09/76/84/564097684.db2.gz XPENWPSGGRACME-UHFFFAOYSA-N 0 0 344.205 4.636 50 0 EJAARN Cc1nnc2c(Nc3ccc(Cl)c(Cl)c3)nc3ccccc3n12 ZINC000006786194 564097705 /nfs/dbraw/zinc/09/77/05/564097705.db2.gz ZRLADPJGWVIOFV-UHFFFAOYSA-N 0 0 344.205 4.636 50 0 EJAARN COc1cccc(NCc2cc(=O)oc3cc(C)c(C(C)C)cc23)c1 ZINC000006785783 564097712 /nfs/dbraw/zinc/09/77/12/564097712.db2.gz VPNXCTFBSLHGNP-UHFFFAOYSA-N 0 0 337.419 4.846 50 0 EJAARN COc1ccc(C(C)(C)C)cc1NC(=O)CSc1ccccc1F ZINC000006786948 564097743 /nfs/dbraw/zinc/09/77/43/564097743.db2.gz IUAYQGZJNAUZIW-UHFFFAOYSA-N 0 0 347.455 4.863 50 0 EJAARN COc1ccc(C)cc1NC(=O)c1sc(-c2cccs2)nc1C ZINC000006789182 564097878 /nfs/dbraw/zinc/09/78/78/564097878.db2.gz WWYJJOVEEWJPEE-UHFFFAOYSA-N 0 0 344.461 4.749 50 0 EJAARN Cc1ccc(-c2cc(C(=O)n3cccn3)c3cccc(C)c3n2)cc1C ZINC000006789538 564097905 /nfs/dbraw/zinc/09/79/05/564097905.db2.gz QWPFTRGKDPJTMU-UHFFFAOYSA-N 0 0 341.414 4.712 50 0 EJAARN CCCN(Cc1cccs1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000006791039 564097945 /nfs/dbraw/zinc/09/79/45/564097945.db2.gz FPMWCYHQVIRCFE-UHFFFAOYSA-N 0 0 326.824 4.985 50 0 aggregator EJAARN COc1ccc(Sc2cc(Nc3ccc(C)c(C)c3)ncn2)cc1 ZINC000006794430 564098084 /nfs/dbraw/zinc/09/80/84/564098084.db2.gz ZSNYVCQXAQBDAK-UHFFFAOYSA-N 0 0 337.448 4.997 50 0 EJAARN Cc1cc(C)n(Cc2cccc(F)c2)c1C(=O)Nc1ccc(F)cc1 ZINC000006800907 564098232 /nfs/dbraw/zinc/09/82/32/564098232.db2.gz ATMHUMUUZXPOKT-UHFFFAOYSA-N 0 0 340.373 4.684 50 0 EJAARN CC[C@@H](C)NC(=O)c1c(C)c2c(n1Cc1ccccc1C)CCCC2 ZINC000006800880 564098239 /nfs/dbraw/zinc/09/82/39/564098239.db2.gz BBINHTKRKHUZLY-MRXNPFEDSA-N 0 0 338.495 4.560 50 0 EJAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000006804831 564098350 /nfs/dbraw/zinc/09/83/50/564098350.db2.gz YZCOZSTXPJCADL-BETUJISGSA-N 0 0 327.449 4.711 50 0 EJAARN C[C@@H](CCc1ccccc1)NC(=O)c1cc2oc3ccccc3c2n1C ZINC000006807649 564098404 /nfs/dbraw/zinc/09/84/04/564098404.db2.gz FKRKWIVSFRAOPJ-HNNXBMFYSA-N 0 0 346.430 4.676 50 0 EJAARN COc1ccc(Cl)cc1NC(=O)Cc1coc2cc(C)cc(C)c12 ZINC000006809785 564098458 /nfs/dbraw/zinc/09/84/58/564098458.db2.gz 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/nfs/dbraw/zinc/09/87/33/564098733.db2.gz QBXPFAPSOFGSDT-HNNXBMFYSA-N 0 0 336.435 4.702 50 0 EJAARN Cc1[nH]c(-c2ccc(F)cc2)cc1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000006818478 564098790 /nfs/dbraw/zinc/09/87/90/564098790.db2.gz KJVUQHQCEMQVQE-FHSNZYRGSA-N 0 0 328.431 4.684 50 0 EJAARN CCCC[C@@H](CC)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000006834446 564099251 /nfs/dbraw/zinc/09/92/51/564099251.db2.gz HACOLRUFDRXNEB-CQSZACIVSA-N 0 0 349.525 4.985 50 0 EJAARN CSc1ccc(Cl)c(C(=O)NCCc2ccc(Cl)cc2)c1 ZINC000006840734 564099346 /nfs/dbraw/zinc/09/93/46/564099346.db2.gz KXGKVSDSPJJKHP-UHFFFAOYSA-N 0 0 340.275 4.688 50 0 EJAARN CC[C@@H]1CN(C(=O)NCc2ccc(C)cc2)c2cc(Cl)ccc2O1 ZINC000006843067 564099499 /nfs/dbraw/zinc/09/94/99/564099499.db2.gz OBCBSCHWFPPOTP-MRXNPFEDSA-N 0 0 344.842 4.536 50 0 EJAARN CCC(C)(C)c1ccc2c(C(=O)N[C@H](C)[C@H]3CCCO3)csc2c1 ZINC000006850629 564099586 /nfs/dbraw/zinc/09/95/86/564099586.db2.gz AOLXFPVSSXENRY-CXAGYDPISA-N 0 0 345.508 4.886 50 0 EJAARN Cc1ccc([C@@H](C)NC(=O)c2ccc(-c3cccc(F)c3)nc2)cc1 ZINC000065030142 564099703 /nfs/dbraw/zinc/09/97/03/564099703.db2.gz NMADABWJCOZMHG-OAHLLOKOSA-N 0 0 334.394 4.687 50 0 EJAARN COC(=O)c1cc(OCc2ccccc2C)c2cc(Cl)ccc2n1 ZINC000065033420 564099853 /nfs/dbraw/zinc/09/98/53/564099853.db2.gz MRWIKQCBGSTTMG-UHFFFAOYSA-N 0 0 341.794 4.562 50 0 EJAARN COC(=O)c1cc(Nc2ccc(Cl)cc2)c2cccc(C)c2n1 ZINC000065033659 564099909 /nfs/dbraw/zinc/09/99/09/564099909.db2.gz SZDSKRKGONFSMZ-UHFFFAOYSA-N 0 0 326.783 4.727 50 0 EJAARN CCc1ccc(Nc2cc(C(=O)OC)nc3c(Cl)cccc23)cc1 ZINC000065033722 564099914 /nfs/dbraw/zinc/09/99/14/564099914.db2.gz UGUNSTRCEMYDFA-UHFFFAOYSA-N 0 0 340.810 4.981 50 0 EJAARN COC(=O)c1cc(Nc2cccc(C)c2)c2cccc(Cl)c2n1 ZINC000065033715 564099923 /nfs/dbraw/zinc/09/99/23/564099923.db2.gz LVWIAJZLBOYJNZ-UHFFFAOYSA-N 0 0 326.783 4.727 50 0 EJAARN CCc1ccc2nc(C(=O)OC)cc(Nc3cc(C)cc(C)c3)c2c1 ZINC000065033760 564099974 /nfs/dbraw/zinc/09/99/74/564099974.db2.gz JKFZRUWQPXCRJQ-UHFFFAOYSA-N 0 0 334.419 4.944 50 0 EJAARN O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccc2ccccc2c1 ZINC000006865051 564100041 /nfs/dbraw/zinc/10/00/41/564100041.db2.gz LOLOVGXXPCNSRL-UHFFFAOYSA-N 0 0 349.777 4.796 50 0 EJAARN O=C(Nc1nccs1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000006861905 564100046 /nfs/dbraw/zinc/10/00/46/564100046.db2.gz BHNRHWYZONDKSE-UHFFFAOYSA-N 0 0 339.203 4.962 50 0 EJAARN CC[C@@H](C)c1ccc(NC(=O)[C@H](C)N(C)Cc2ccccc2F)cc1 ZINC000006872979 564100243 /nfs/dbraw/zinc/10/02/43/564100243.db2.gz BZMUUPYJEWJFRW-CVEARBPZSA-N 0 0 342.458 4.798 50 0 EJAARN CC[C@H]1CN(C(=O)Nc2cc(C)ccc2OC)c2ccccc2S1 ZINC000006877054 564100328 /nfs/dbraw/zinc/10/03/28/564100328.db2.gz AHMZXDKAUXPOQL-AWEZNQCLSA-N 0 0 342.464 4.926 50 0 EJAARN CC[C@@H](C(=O)N[C@@H](C)c1cccc(Br)c1)c1ccccc1 ZINC000036395558 564100675 /nfs/dbraw/zinc/10/06/75/564100675.db2.gz HYCZMFDGGFBQJZ-SUMWQHHRSA-N 0 0 346.268 4.820 50 0 EJAARN Clc1ccc(CSc2nncn3c4ccsc4cc23)cc1 ZINC000006893796 564100888 /nfs/dbraw/zinc/10/08/88/564100888.db2.gz 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/nfs/dbraw/zinc/10/20/97/564102097.db2.gz NPTVOIPVCDXQEW-UHFFFAOYSA-N 0 0 342.192 4.961 50 0 EJAARN Cc1cnc(NC(=O)c2cc3c(s2)-c2ccccc2CC3)s1 ZINC000006969172 564102424 /nfs/dbraw/zinc/10/24/24/564102424.db2.gz ASXDQUKMHVRCDE-UHFFFAOYSA-N 0 0 326.446 4.531 50 0 EJAARN CCSc1ccc(-c2cccc(NC(=O)c3ccccc3)c2)nn1 ZINC000065185934 564102568 /nfs/dbraw/zinc/10/25/68/564102568.db2.gz CYIQOFNKJDOLCS-UHFFFAOYSA-N 0 0 335.432 4.508 50 0 EJAARN CCc1ccc(C(=O)Nc2ccsc2-c2nnc(C(C)C)o2)cc1 ZINC000065218750 564102782 /nfs/dbraw/zinc/10/27/82/564102782.db2.gz LQOBXVKGAOQBGW-UHFFFAOYSA-N 0 0 341.436 4.736 50 0 EJAARN CCCn1cnc2ccc(-c3noc([C@H](C)Oc4ccccc4)n3)cc21 ZINC000065240669 564103303 /nfs/dbraw/zinc/10/33/03/564103303.db2.gz MKXRLZMDCSBYDC-AWEZNQCLSA-N 0 0 348.406 4.636 50 0 EJAARN CCc1noc(-c2cnc3nc(C)ccc3c2Nc2ccccc2C)n1 ZINC000065250600 564103450 /nfs/dbraw/zinc/10/34/50/564103450.db2.gz BHADRZBHQADJGR-UHFFFAOYSA-N 0 0 345.406 4.603 50 0 EJAARN CC(C)(C)c1cc(CCC(=O)N2CCCC2)cc(C(C)(C)C)c1O ZINC000007038832 564103497 /nfs/dbraw/zinc/10/34/97/564103497.db2.gz VQHODOHBOIIDQO-UHFFFAOYSA-N 0 0 331.500 4.542 50 0 EJAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1cc(F)ccc1C ZINC000007062492 564104512 /nfs/dbraw/zinc/10/45/12/564104512.db2.gz FVKBOPQAENHYJZ-UHFFFAOYSA-N 0 0 344.386 4.957 50 0 EJAARN CC[C@@H](C)c1ccccc1OCC(=O)N[C@H]1CCCc2ccccc21 ZINC000007063519 564104557 /nfs/dbraw/zinc/10/45/57/564104557.db2.gz WOFKUXJXCQXTEH-UZLBHIALSA-N 0 0 337.463 4.773 50 0 EJAARN C[C@@H](OC(=O)c1c2c(nc3ccccc31)CCC2)c1ccc(F)cc1 ZINC000007063634 564104568 /nfs/dbraw/zinc/10/45/68/564104568.db2.gz JKUMKHSXRYOMLV-CYBMUJFWSA-N 0 0 335.378 4.781 50 0 EJAARN Cc1sc2nc(C)nc(SC[C@H]3CC3(Cl)Cl)c2c1C ZINC000007090066 564104670 /nfs/dbraw/zinc/10/46/70/564104670.db2.gz SVOWENVICNOPES-SECBINFHSA-N 0 0 333.309 4.902 50 0 EJAARN CNc1nnc(SCc2ccccc2Oc2ccccc2)s1 ZINC000007102962 564104888 /nfs/dbraw/zinc/10/48/88/564104888.db2.gz BVKPIVUJYPILHV-UHFFFAOYSA-N 0 0 329.450 4.664 50 0 EJAARN O=C(OCc1ncc(-c2ccc(Cl)cc2)o1)c1c(F)cccc1F 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C[C@@H]1CCCN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000065476027 564106304 /nfs/dbraw/zinc/10/63/04/564106304.db2.gz ZGFQDSSLNXVENZ-CYBMUJFWSA-N 0 0 340.448 4.819 50 0 EJAARN O=C(N[C@@H](c1ccccc1)c1ccc(OC(F)F)cc1)C1CCCC1 ZINC000007281228 564106391 /nfs/dbraw/zinc/10/63/91/564106391.db2.gz XHPBKUUXJJJLDD-SFHVURJKSA-N 0 0 345.389 4.684 50 0 EJAARN O=C(CCc1ccc(F)cc1)Nc1nc2ccc(Cl)cc2s1 ZINC000007278874 564106461 /nfs/dbraw/zinc/10/64/61/564106461.db2.gz KWEAUSIKYPDOCP-UHFFFAOYSA-N 0 0 334.803 4.660 50 0 EJAARN O=C(Cc1csc(Cc2ccc(F)cc2)n1)OC1CCCCCC1 ZINC000065492588 564106501 /nfs/dbraw/zinc/10/65/01/564106501.db2.gz VRIJXOAUNNEXSU-UHFFFAOYSA-N 0 0 347.455 4.682 50 0 EJAARN COc1ccc(-c2nc(Nc3ccc(Cl)nc3)sc2C)cc1 ZINC000065567474 564107694 /nfs/dbraw/zinc/10/76/94/564107694.db2.gz KMAXCSQVMUEDOJ-UHFFFAOYSA-N 0 0 331.828 4.919 50 0 EJAARN CCN(C(=O)/C=C(/C)C1CC1)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000065586321 564107771 /nfs/dbraw/zinc/10/77/71/564107771.db2.gz RMWAVGQKBKQYRK-ROOORRATSA-N 0 0 338.426 4.515 50 0 EJAARN Cc1ccccc1NC(=O)N(C)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000065607113 564108204 /nfs/dbraw/zinc/10/82/04/564108204.db2.gz UCKXUMIWNZYNCK-FQEVSTJZSA-N 0 0 349.409 4.782 50 0 EJAARN Cc1occc1-c1nnc(S[C@H](C)C(=O)c2ccc(Cl)cc2)o1 ZINC000007426905 564108356 /nfs/dbraw/zinc/10/83/56/564108356.db2.gz YXZVFAYEUCYNOE-SNVBAGLBSA-N 0 0 348.811 4.655 50 0 EJAARN Fc1ccc(-c2cc(-c3nc(-c4ccc(Cl)cc4)no3)n[nH]2)cc1 ZINC000007424958 564108375 /nfs/dbraw/zinc/10/83/75/564108375.db2.gz IYPXLSGLPKYOGZ-UHFFFAOYSA-N 0 0 340.745 4.586 50 0 EJAARN CC[C@@H](CC(F)(F)F)NC(=O)c1sc(-c2cccs2)nc1C ZINC000170595304 564109025 /nfs/dbraw/zinc/10/90/25/564109025.db2.gz FKEMMYGSGJGICK-VIFPVBQESA-N 0 0 348.415 4.641 50 0 EJAARN Fc1ccc2oc(CN3CCC[C@H]3c3nc4ccccc4[nH]3)cc2c1 ZINC000170606898 564109582 /nfs/dbraw/zinc/10/95/82/564109582.db2.gz IKWFCBKBLYVBDN-SFHVURJKSA-N 0 0 335.382 4.785 50 0 EJAARN Fc1ccc2oc(CN3CCC[C@@H]3c3nc4ccccc4[nH]3)cc2c1 ZINC000170606899 564109625 /nfs/dbraw/zinc/10/96/25/564109625.db2.gz IKWFCBKBLYVBDN-GOSISDBHSA-N 0 0 335.382 4.785 50 0 EJAARN CCc1cccc(Cl)c1CNc1nnc(Cc2ccsc2)o1 ZINC000170608160 564109738 /nfs/dbraw/zinc/10/97/38/564109738.db2.gz DTFUAMKYFDWQNG-UHFFFAOYSA-N 0 0 333.844 4.550 50 0 EJAARN C[C@H]1C[C@H](CC(=O)N2CCC(OC3CCCC3)CC2)CC(C)(C)C1 ZINC000170620588 564110261 /nfs/dbraw/zinc/11/02/61/564110261.db2.gz KXRCRNJZKXINSK-DLBZAZTESA-N 0 0 335.532 4.789 50 0 EJAARN CC[C@H](O)c1nc2ccccc2n1CCCOc1cccc(C)c1C ZINC000007548846 564110338 /nfs/dbraw/zinc/11/03/38/564110338.db2.gz RGMWNJXJOKPUSZ-IBGZPJMESA-N 0 0 338.451 4.566 50 0 EJAARN COc1ccc(NC(=S)N(Cc2ccccc2)[C@@H](C)C2CC2)cc1 ZINC000007561134 564110483 /nfs/dbraw/zinc/11/04/83/564110483.db2.gz BDOGBRSDRKWMSN-HNNXBMFYSA-N 0 0 340.492 4.693 50 0 EJAARN Cc1nn(C(C)C)c(C)c1NC(=O)N1CC[C@H](C)CC[C@H]1C(C)C ZINC000170630094 564110590 /nfs/dbraw/zinc/11/05/90/564110590.db2.gz WTUOMKNZIGCFKE-PBHICJAKSA-N 0 0 334.508 4.759 50 0 EJAARN Cc1oc(-c2ccccc2)nc1CCNC(=O)Nc1c(C)cccc1C ZINC000071855121 564111381 /nfs/dbraw/zinc/11/13/81/564111381.db2.gz KSUSLXUFBGEMSP-UHFFFAOYSA-N 0 0 349.434 4.631 50 0 EJAARN O=C(Nc1ccccc1Br)N[C@H]1CCCc2ccccc21 ZINC000013746072 564111984 /nfs/dbraw/zinc/11/19/84/564111984.db2.gz YWKVPHBDWYTFED-HNNXBMFYSA-N 0 0 345.240 4.648 50 0 EJAARN Cc1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1 ZINC000014426922 564112460 /nfs/dbraw/zinc/11/24/60/564112460.db2.gz QRKVBCGHJXYECM-UHFFFAOYSA-N 0 0 325.339 4.558 50 0 EJAARN COc1cc(C(=O)Nc2c(C)cc(C)cc2C)cc(Cl)c1OC ZINC000014426220 564112475 /nfs/dbraw/zinc/11/24/75/564112475.db2.gz DFISPGPPDUGWQG-UHFFFAOYSA-N 0 0 333.815 4.535 50 0 EJAARN Cc1sc(NC(=O)C[C@@H]2C=CCC2)nc1-c1ccc(F)c(F)c1 ZINC000014633598 564112668 /nfs/dbraw/zinc/11/26/68/564112668.db2.gz KCTGMRMLLHBKOQ-LLVKDONJSA-N 0 0 334.391 4.692 50 0 EJAARN Cc1ccc(-c2ncco2)cc1NC(=O)c1ccc(Cl)cc1F ZINC000089618873 564112694 /nfs/dbraw/zinc/11/26/94/564112694.db2.gz DNEFUMIVFSHTSW-UHFFFAOYSA-N 0 0 330.746 4.695 50 0 EJAARN Cc1cc2cc(NC(=O)c3ccc(Cl)c4cccnc34)ccc2[nH]1 ZINC000089610720 564112701 /nfs/dbraw/zinc/11/27/01/564112701.db2.gz UGYIYRGRSQGYNF-UHFFFAOYSA-N 0 0 335.794 4.930 50 0 EJAARN Cc1nc(S[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)oc1C ZINC000089643330 564112858 /nfs/dbraw/zinc/11/28/58/564112858.db2.gz PCBBXNBKTQXMCC-ZDUSSCGKSA-N 0 0 329.425 4.812 50 0 EJAARN Cc1cnc(NC(=O)c2ccccc2OCc2cccc(C)c2)s1 ZINC000014662287 564113015 /nfs/dbraw/zinc/11/30/15/564113015.db2.gz FCHJMPCBNWKPIV-UHFFFAOYSA-N 0 0 338.432 4.591 50 0 EJAARN CC(C)Cn1ncc(C(=O)Nc2cc(F)ccc2Cl)c1C(F)F ZINC000089763755 564113613 /nfs/dbraw/zinc/11/36/13/564113613.db2.gz ZOXYAKPFJJCDTQ-UHFFFAOYSA-N 0 0 345.752 4.522 50 0 EJAARN Cc1ccc(/N=c2\scc(-c3cccs3)n2CCCO)c(C)c1 ZINC000007573458 564113802 /nfs/dbraw/zinc/11/38/02/564113802.db2.gz CURDOGHJEUBMBG-HNENSFHCSA-N 0 0 344.505 4.510 50 0 EJAARN O=C(N[C@H]1C[C@@H]1c1ccccc1)C1(c2cccc(F)c2)CCCCC1 ZINC000089828042 564114091 /nfs/dbraw/zinc/11/40/91/564114091.db2.gz NSOCRLVIKLHWEK-UXHICEINSA-N 0 0 337.438 4.700 50 0 EJAARN O=C(CCc1ccco1)N1CCCC[C@H]1CCCc1ccccc1 ZINC000089830483 564114160 /nfs/dbraw/zinc/11/41/60/564114160.db2.gz JFJBLBNPDGQYPN-IBGZPJMESA-N 0 0 325.452 4.616 50 0 EJAARN CC(C)CSCCSc1nnc(-c2ccccc2Cl)n1C ZINC000089856448 564114388 /nfs/dbraw/zinc/11/43/88/564114388.db2.gz VYDUAWXZLIJURY-UHFFFAOYSA-N 0 0 341.933 4.617 50 0 EJAARN Clc1ccc(Br)c(CNc2cccc3n[nH]cc32)c1 ZINC000090250971 564116539 /nfs/dbraw/zinc/11/65/39/564116539.db2.gz JLWBJOQFPQIMQB-UHFFFAOYSA-N 0 0 336.620 4.591 50 0 EJAARN Cc1noc(C)c1C(=O)Nc1cc(C)ccc1SCC(F)(F)F ZINC000076448144 564116640 /nfs/dbraw/zinc/11/66/40/564116640.db2.gz MCJXCKRNJPIAQM-UHFFFAOYSA-N 0 0 344.358 4.507 50 0 EJAARN CCC(=O)N(CC[C@@H](C(C)C)[C@@H]1CCOC(C)(C)C1)Cc1ccco1 ZINC000002106209 564117931 /nfs/dbraw/zinc/11/79/31/564117931.db2.gz LSPWQLQHZZKYDW-MJGOQNOKSA-N 0 0 349.515 4.886 50 0 biogenic EJAARN COc1ccc(C)cc1[C@H](C)NC(=O)/C=C\c1ccc([C@@H]2C[C@H]2C)o1 ZINC000252458437 564118606 /nfs/dbraw/zinc/11/86/06/564118606.db2.gz HYCPIHNPNGVLPJ-STVPKCHCSA-N 0 0 339.435 4.611 50 0 EJAARN CCOC(=O)c1cc(C(=O)c2cccs2)n2c1ccc1ccccc12 ZINC000000388874 564118848 /nfs/dbraw/zinc/11/88/48/564118848.db2.gz CPDYZNPGVDQQNF-UHFFFAOYSA-N 0 0 349.411 4.562 50 0 EJAARN CCc1cc(-c2n[nH]c(C(F)(F)F)c2-c2ccccc2)c(O)cc1O ZINC000000458764 564118922 /nfs/dbraw/zinc/11/89/22/564118922.db2.gz UMWWRGOCFBZBMK-UHFFFAOYSA-N 0 0 348.324 4.736 50 0 EJAARN O=C(Nc1ccc(COCc2ccccc2)cc1)c1cc[nH]c1C1CC1 ZINC000252488086 564119420 /nfs/dbraw/zinc/11/94/20/564119420.db2.gz IJAFMKPVUVANFP-UHFFFAOYSA-N 0 0 346.430 4.861 50 0 EJAARN Cc1ccccc1CNc1ccccc1NC(=O)[C@@H](C)c1ccccn1 ZINC000252489711 564119423 /nfs/dbraw/zinc/11/94/23/564119423.db2.gz JYAOVEFNAWDSRX-KRWDZBQOSA-N 0 0 345.446 4.744 50 0 EJAARN CCCCCC(=O)Nc1c(-c2ccccc2)c(=O)c2ccccc2n1C ZINC000002201275 564120932 /nfs/dbraw/zinc/12/09/32/564120932.db2.gz JXDSJLLFEIVEDB-UHFFFAOYSA-N 0 0 348.446 4.724 50 0 EJAARN Cc1cccc(NC(=O)COc2ccc(Cl)c3cccnc23)c1C ZINC000007612324 564120958 /nfs/dbraw/zinc/12/09/58/564120958.db2.gz ZTPWWRMNPYKKRB-UHFFFAOYSA-N 0 0 340.810 4.523 50 0 EJAARN Cc1nnc(SCC(=O)c2ccc(-c3ccccc3)cc2)n1C1CC1 ZINC000007617326 564121045 /nfs/dbraw/zinc/12/10/45/564121045.db2.gz ZMKNQRBKQZHKDU-UHFFFAOYSA-N 0 0 349.459 4.563 50 0 EJAARN C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1C[C@H]2CCC[C@@H]21 ZINC000170665576 564121282 /nfs/dbraw/zinc/12/12/82/564121282.db2.gz LIFQUFSHGXTAMR-RULNRJAQSA-N 0 0 338.238 4.589 50 0 EJAARN O=C(Cc1cccs1)Nc1nc(-c2ccccc2Cl)cs1 ZINC000007640725 564121411 /nfs/dbraw/zinc/12/14/11/564121411.db2.gz GAVKFVIYNNIFHT-UHFFFAOYSA-N 0 0 334.853 4.706 50 0 EJAARN CCc1cccc(C)c1NC(=O)Cc1csc(-c2ccccc2)n1 ZINC000007652901 564121559 /nfs/dbraw/zinc/12/15/59/564121559.db2.gz UWOLFVWTZSEYMG-UHFFFAOYSA-N 0 0 336.460 4.862 50 0 EJAARN O=C(OCc1csc(-c2ccccc2)n1)c1ccc(F)cc1Cl ZINC000007656313 564121619 /nfs/dbraw/zinc/12/16/19/564121619.db2.gz SFWJULVZAXSBDT-UHFFFAOYSA-N 0 0 347.798 4.960 50 0 EJAARN Cc1cccc(OCC(=O)Nc2nc(-c3cccs3)cs2)c1C ZINC000007670490 564121750 /nfs/dbraw/zinc/12/17/50/564121750.db2.gz GJVUTXIRUCOTGY-UHFFFAOYSA-N 0 0 344.461 4.506 50 0 EJAARN O=C(Nc1nccs1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000007699244 564121981 /nfs/dbraw/zinc/12/19/81/564121981.db2.gz JKBIBXMBWSVHIK-UHFFFAOYSA-N 0 0 344.823 4.628 50 0 EJAARN Cc1ccc(C)c(-c2csc(NC(=O)Cc3cccs3)n2)c1 ZINC000007723605 564122245 /nfs/dbraw/zinc/12/22/45/564122245.db2.gz BULKQMFGYXTUSD-UHFFFAOYSA-N 0 0 328.462 4.670 50 0 EJAARN c1csc(-c2cc(CSc3ncnc4sccc43)no2)c1 ZINC000007729538 564122347 /nfs/dbraw/zinc/12/23/47/564122347.db2.gz BGMTXPWTKAIVHM-UHFFFAOYSA-N 0 0 331.447 4.700 50 0 EJAARN Cc1c2cccc(F)c2oc1C(=O)N(CC(F)(F)F)[C@@H](C)C1CC1 ZINC000007737645 564122420 /nfs/dbraw/zinc/12/24/20/564122420.db2.gz OONWWFSTMNGFHA-JTQLQIEISA-N 0 0 343.320 4.683 50 0 EJAARN C[C@H](NC(=O)c1ccccc1C(F)(F)F)c1ccccc1Cl ZINC000007780022 564123138 /nfs/dbraw/zinc/12/31/38/564123138.db2.gz HYDYSPUXGLSIMN-JTQLQIEISA-N 0 0 327.733 4.850 50 0 EJAARN C[C@H](C(=O)c1c[nH]c2ccccc12)N(Cc1ccc(F)cc1)C1CC1 ZINC000007789340 564123296 /nfs/dbraw/zinc/12/32/96/564123296.db2.gz ZRRICFKWJMVWTR-CQSZACIVSA-N 0 0 336.410 4.543 50 0 EJAARN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1cc2ccccc2o1 ZINC000007794103 564123406 /nfs/dbraw/zinc/12/34/06/564123406.db2.gz LDKZIVNDRFQLHZ-UHFFFAOYSA-N 0 0 348.324 4.770 50 0 EJAARN COc1cccc(NC(=O)[C@H]2[C@@H]3CCC=CCCC=CCC[C@@H]32)c1 ZINC000252630689 564123574 /nfs/dbraw/zinc/12/35/74/564123574.db2.gz VDKNMAMLBHJZFZ-PMOLBWCYSA-N 0 0 325.452 4.963 50 0 EJAARN Cc1nc(-c2ccc(CNC(=O)c3ccc(C)c(F)c3)s2)cs1 ZINC000007821684 564124036 /nfs/dbraw/zinc/12/40/36/564124036.db2.gz LODIPKWOYHACFI-UHFFFAOYSA-N 0 0 346.452 4.558 50 0 EJAARN O=C(NCc1ccccc1Cl)c1cc(-c2cccc(Cl)c2)no1 ZINC000066089090 564124207 /nfs/dbraw/zinc/12/42/07/564124207.db2.gz LFSMBURZCMEMAE-UHFFFAOYSA-N 0 0 347.201 4.578 50 0 EJAARN Cc1ccc(N=C2NN=C(c3cc(F)ccc3F)CS2)c(C)c1 ZINC000007849241 564124231 /nfs/dbraw/zinc/12/42/31/564124231.db2.gz VULNQESQMHTQHW-UHFFFAOYSA-N 0 0 331.391 4.501 50 0 EJAARN COc1ccccc1N1C(=O)c2ccccc2N[C@H]1c1ccsc1 ZINC000007884851 564124370 /nfs/dbraw/zinc/12/43/70/564124370.db2.gz FEYXYDXCSVFGIR-GOSISDBHSA-N 0 0 336.416 4.528 50 0 EJAARN CCCCNC(=O)OC[C@@]12CO[C@H](CCC)[C@@H](C(C)=C[C@H]1C)[C@H]2C ZINC000252693611 564124968 /nfs/dbraw/zinc/12/49/68/564124968.db2.gz FGCOUMUUNRBVMZ-KLBVCGFUSA-N 0 0 337.504 4.546 50 0 biogenic EJAARN Cc1nc2scc(-c3ccccc3)c2c(NCc2cccnc2)n1 ZINC000015206207 564124979 /nfs/dbraw/zinc/12/49/79/564124979.db2.gz LWNMUMVPPIWLEV-UHFFFAOYSA-N 0 0 332.432 4.674 50 0 EJAARN Cc1nc(COc2ccc(C(=O)Nc3ccccc3C)cc2)cs1 ZINC000007918119 564125155 /nfs/dbraw/zinc/12/51/55/564125155.db2.gz QUORGHWBYKKUIF-UHFFFAOYSA-N 0 0 338.432 4.591 50 0 EJAARN CSc1ccc(CN(C)C(=O)c2occc2-c2ccccc2)cc1 ZINC000027494090 564125342 /nfs/dbraw/zinc/12/53/42/564125342.db2.gz LVNLJWMKAMQZLL-UHFFFAOYSA-N 0 0 337.444 4.941 50 0 EJAARN CC(C)[C@H](NC(=O)c1ccc(Br)cc1)c1cccs1 ZINC000007924972 564125508 /nfs/dbraw/zinc/12/55/08/564125508.db2.gz LWAVHCACZDRBDO-AWEZNQCLSA-N 0 0 338.270 4.638 50 0 EJAARN CCC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000003814426 564128934 /nfs/dbraw/zinc/12/89/34/564128934.db2.gz PDMMFKSKQVNJMI-NVLJRBADSA-N 0 0 344.495 4.840 50 0 biogenic EJAARN C[C@@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]43C)[C@@H]1CC[C@@]21CCC(=O)O1 ZINC000006251003 564128977 /nfs/dbraw/zinc/12/89/77/564128977.db2.gz UWBICEKKOYXZRG-IQHZCEOMSA-N 0 0 342.479 4.594 50 0 EJAARN Cc1ccc(-n2cnc3c2ncnc3Nc2ccc(Cl)cc2)c(C)c1 ZINC000019926042 564129116 /nfs/dbraw/zinc/12/91/16/564129116.db2.gz NFTYVEGIQSGHRL-UHFFFAOYSA-N 0 0 349.825 4.829 50 0 EJAARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@H]3CC[C@H]2C1 ZINC000096023525 564129476 /nfs/dbraw/zinc/12/94/76/564129476.db2.gz FDCINQSOYQUNKB-VHRKQUMOSA-N 0 0 332.484 4.530 50 0 biogenic EJAARN CCc1cc(C(=O)Cc2nc3ccccc3s2)c(OC)cc1OC ZINC000106132414 564129528 /nfs/dbraw/zinc/12/95/28/564129528.db2.gz LGUUVISFUQJCSH-GDNBJRDFSA-N 0 0 341.432 4.932 50 0 EJAARN CCCOc1cc2occ(-c3nc(C)cs3)c(=O)c2cc1CC ZINC000002281187 564130200 /nfs/dbraw/zinc/13/02/00/564130200.db2.gz IEOZEEATSKBLQD-UHFFFAOYSA-N 0 0 329.421 4.576 50 0 EJAARN O=C(Nc1ccccc1-c1ccccc1)c1ccnc(OCC2CC2)c1 ZINC000253406323 564130657 /nfs/dbraw/zinc/13/06/57/564130657.db2.gz UKHKABLUWIFQDZ-UHFFFAOYSA-N 0 0 344.414 4.790 50 0 EJAARN Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)[C@@H]1CC=CC[C@H]1C ZINC000253416145 564130739 /nfs/dbraw/zinc/13/07/39/564130739.db2.gz AKBOSLKMOGYXMV-UKRRQHHQSA-N 0 0 339.439 4.709 50 0 EJAARN CC(=O)C1=NN(c2ccc(C)cc2)[C@@H](c2cccs2)N1C(C)(C)C ZINC000002298874 564131756 /nfs/dbraw/zinc/13/17/56/564131756.db2.gz NPPSJUDUDJNUJJ-SFHVURJKSA-N 0 0 341.480 4.578 50 0 EJAARN CSc1ccc(COC(=O)CCc2c[nH]c3ccccc23)s1 ZINC000253431755 564131837 /nfs/dbraw/zinc/13/18/37/564131837.db2.gz IBXRJTIHWLTYBY-UHFFFAOYSA-N 0 0 331.462 4.627 50 0 EJAARN CCC[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NC(C)C ZINC000002326524 564132348 /nfs/dbraw/zinc/13/23/48/564132348.db2.gz RIPALYDKMCHMGD-SAZYNNDCSA-N 0 0 333.475 4.835 50 0 EJAARN CSc1ccccc1C(=O)N[C@H](C)Cc1cc2ccccc2o1 ZINC000253472708 564132660 /nfs/dbraw/zinc/13/26/60/564132660.db2.gz OONORHSINXBDJC-CYBMUJFWSA-N 0 0 325.433 4.516 50 0 EJAARN CC(C)(C)c1ccc(-c2noc(CCC(=O)Nc3ccccc3)n2)cc1 ZINC000002395477 564134483 /nfs/dbraw/zinc/13/44/83/564134483.db2.gz LQGNLOBMLRZUOM-UHFFFAOYSA-N 0 0 349.434 4.605 50 0 EJAARN COc1ccc(-n2c3ccccc3nc2SCc2cccnc2)cc1 ZINC000027776753 564134493 /nfs/dbraw/zinc/13/44/93/564134493.db2.gz IYQINFKCFIIOMK-UHFFFAOYSA-N 0 0 347.443 4.721 50 0 EJAARN CCCCCn1c(-c2ccc(OC)cc2)nc2nc3ccccc3nc21 ZINC000002411651 564134715 /nfs/dbraw/zinc/13/47/15/564134715.db2.gz XKQDFZOPQMCPEH-UHFFFAOYSA-N 0 0 346.434 4.845 50 0 EJAARN O=C(c1ccsc1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000007948178 564135514 /nfs/dbraw/zinc/13/55/14/564135514.db2.gz GHHGSEFHIDUQRG-OAHLLOKOSA-N 0 0 331.487 4.659 50 0 EJAARN CSc1ccc(CSCCC(=O)Nc2ccccc2F)cc1 ZINC000012978431 564135749 /nfs/dbraw/zinc/13/57/49/564135749.db2.gz GRVVHYLLKFWHMV-UHFFFAOYSA-N 0 0 335.469 4.810 50 0 EJAARN Cc1[nH]c2ccccc2c1CCNC(=S)Nc1cccc(C)c1C ZINC000002451553 564135765 /nfs/dbraw/zinc/13/57/65/564135765.db2.gz FRVCIAZWBGKCLI-UHFFFAOYSA-N 0 0 337.492 4.622 50 0 EJAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(C(C)C)cc1 ZINC000013004724 564135824 /nfs/dbraw/zinc/13/58/24/564135824.db2.gz FOUYRQFUVQRKCP-UHFFFAOYSA-N 0 0 333.435 4.865 50 0 EJAARN Cc1cc(Cl)c2ccccc2c1NC(=O)N1CCC[C@@](C)(O)CC1 ZINC000328594260 564136794 /nfs/dbraw/zinc/13/67/94/564136794.db2.gz KLPDTHHREZKTHI-LJQANCHMSA-N 0 0 346.858 4.570 50 0 EJAARN O=C(CCc1cccc(F)c1)N1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC000079103430 564137908 /nfs/dbraw/zinc/13/79/08/564137908.db2.gz IDKSESRUUSBINI-DENIHFKCSA-N 0 0 337.438 4.686 50 0 EJAARN CC(=O)Nc1ccccc1C[N@@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000093821648 564137999 /nfs/dbraw/zinc/13/79/99/564137999.db2.gz POSHHECVKPFIQJ-AWEZNQCLSA-N 0 0 345.512 4.726 50 0 EJAARN CC(C)[C@@H]1SCC(=O)Nc2c1c(=O)[nH]n2C1CCCCCCC1 ZINC000079482424 564138196 /nfs/dbraw/zinc/13/81/96/564138196.db2.gz KEUBYDAFEYDBCY-HNNXBMFYSA-N 0 0 337.489 4.906 50 0 EJAARN O=C(N[C@@H](c1ccsc1)c1cccs1)c1cccc(Cl)c1 ZINC000390826372 564138480 /nfs/dbraw/zinc/13/84/80/564138480.db2.gz JIXDHCFQHNZUMI-HNNXBMFYSA-N 0 0 333.865 4.982 50 0 EJAARN COc1cccc2cc(C(=O)NC3(c4cccs4)CCCC3)oc21 ZINC000390828107 564138516 /nfs/dbraw/zinc/13/85/16/564138516.db2.gz OTRFJPMDCRATJL-UHFFFAOYSA-N 0 0 341.432 4.702 50 0 EJAARN O=C(NC1(c2cccs2)CCCC1)c1cc(-c2ccccc2)on1 ZINC000390827668 564138546 /nfs/dbraw/zinc/13/85/46/564138546.db2.gz IUGKETUTXPTUJH-UHFFFAOYSA-N 0 0 338.432 4.602 50 0 EJAARN O=C(NCc1nc(C2CCCCC2)cs1)OCc1ccccc1 ZINC000390828253 564138557 /nfs/dbraw/zinc/13/85/57/564138557.db2.gz APCOFVCLNVLWRE-UHFFFAOYSA-N 0 0 330.453 4.617 50 0 EJAARN CCOc1ccc(CC(=O)N2CCCC[C@@H]2CSC(C)(C)C)cc1 ZINC000390830002 564138627 /nfs/dbraw/zinc/13/86/27/564138627.db2.gz IAZDTRHZCANIML-QGZVFWFLSA-N 0 0 349.540 4.541 50 0 EJAARN CCOc1ccc(NC(=O)N[C@@H](C)Cc2cc3ccccc3o2)cc1 ZINC000390830908 564138635 /nfs/dbraw/zinc/13/86/35/564138635.db2.gz OGVHVXCOFYQPOF-AWEZNQCLSA-N 0 0 338.407 4.584 50 0 EJAARN Cc1noc(C)c1NC(=O)c1cc(-c2ccccc2)ccc1Cl ZINC000095394701 564139378 /nfs/dbraw/zinc/13/93/78/564139378.db2.gz MAWVYBLFHUTINL-UHFFFAOYSA-N 0 0 326.783 4.864 50 0 EJAARN Cc1nnc([C@@H](C)S[C@@H](C)c2ccccc2Br)o1 ZINC000095412899 564139715 /nfs/dbraw/zinc/13/97/15/564139715.db2.gz VMTLCEWCDNUSDX-DTWKUNHWSA-N 0 0 327.247 4.696 50 0 EJAARN Cc1cc(C)c2c(n1)sc1c2NCN(c2ccc(Cl)cc2)C1=O ZINC000020446443 564140313 /nfs/dbraw/zinc/14/03/13/564140313.db2.gz PNFPYDVXGISNRW-UHFFFAOYSA-N 0 0 343.839 4.596 50 0 EJAARN CC(C)c1sc(Cl)nc1C(=O)Nc1nc2ccccc2s1 ZINC000095476343 564141454 /nfs/dbraw/zinc/14/14/54/564141454.db2.gz BZLVTBFBAGQTGP-UHFFFAOYSA-N 0 0 337.857 4.782 50 0 EJAARN CC(C)n1ncc2c1NC(=O)CS[C@@H]2c1ccc(F)cc1Cl ZINC000095476303 564141461 /nfs/dbraw/zinc/14/14/61/564141461.db2.gz QFXWHZKWNPQFKU-CQSZACIVSA-N 0 0 339.823 4.681 50 0 EJAARN CCCCCc1ccc([C@@H](CC)N[C@H](C)c2nnc3n2CCC3)cc1 ZINC000095940745 564141988 /nfs/dbraw/zinc/14/19/88/564141988.db2.gz GNKRTYNTCIBSJZ-VQIMIIECSA-N 0 0 340.515 4.759 50 0 EJAARN Cc1cc2ncnc(NCc3coc(-c4ccccc4)n3)c2cc1C ZINC000095945044 564142194 /nfs/dbraw/zinc/14/21/94/564142194.db2.gz VOAFTDKKAIWFIM-UHFFFAOYSA-N 0 0 330.391 4.514 50 0 EJAARN Cc1nsc2ncc(C(=O)N(c3ccccc3)C3CCCC3)cc12 ZINC000095953759 564142450 /nfs/dbraw/zinc/14/24/50/564142450.db2.gz RGBQEMXISOYFTA-UHFFFAOYSA-N 0 0 337.448 4.589 50 0 EJAARN CC(C)Cc1nnc([C@H](C)Sc2cccc(Br)c2)o1 ZINC000095956628 564142526 /nfs/dbraw/zinc/14/25/26/564142526.db2.gz YTFYMRZRWZYAKG-JTQLQIEISA-N 0 0 341.274 4.884 50 0 EJAARN Clc1cccc2c1CC[C@@H]2NCc1csc(-c2ccccn2)n1 ZINC000095956252 564142545 /nfs/dbraw/zinc/14/25/45/564142545.db2.gz ILHVBHZLUTUPPP-INIZCTEOSA-N 0 0 341.867 4.636 50 0 EJAARN CC(C)c1cnc(CN2CC=C(c3c[nH]c4cc(F)ccc43)CC2)o1 ZINC000095959202 564142610 /nfs/dbraw/zinc/14/26/10/564142610.db2.gz DBJVQXVRKGZCOP-UHFFFAOYSA-N 0 0 339.414 4.708 50 0 EJAARN C[C@@H](Nc1cccc(NC(=O)c2ccoc2)c1)c1ccc(F)c(F)c1 ZINC000095958791 564142632 /nfs/dbraw/zinc/14/26/32/564142632.db2.gz VBUCHYYKJBNLIO-GFCCVEGCSA-N 0 0 342.345 4.983 50 0 EJAARN Cc1cccc([C@@H](C)SCc2csc(-c3ncccn3)n2)c1 ZINC000095962201 564142803 /nfs/dbraw/zinc/14/28/03/564142803.db2.gz MOALKWDYIOMPIO-CYBMUJFWSA-N 0 0 327.478 4.903 50 0 EJAARN O=C(/C=C\c1ccsc1)NCCc1nc(C2CCCCC2)cs1 ZINC000096034934 564145100 /nfs/dbraw/zinc/14/51/00/564145100.db2.gz FTITUHXICKVADG-SREVYHEPSA-N 0 0 346.521 4.624 50 0 EJAARN CCCC[C@@]1(CCN(Cc2ccco2)C(C)=O)CCOC(C)(C)C1 ZINC000096115750 564145421 /nfs/dbraw/zinc/14/54/21/564145421.db2.gz STCTTYITVSZJQX-HXUWFJFHSA-N 0 0 335.488 4.784 50 0 biogenic EJAARN O=C(CCc1ccccc1F)N(Cc1ccsc1)Cc1ccco1 ZINC000096120261 564145552 /nfs/dbraw/zinc/14/55/52/564145552.db2.gz JAUCTJYWCXHDMW-UHFFFAOYSA-N 0 0 343.423 4.642 50 0 EJAARN O=C(Nc1ccc(F)c(Cl)c1)c1cccc(Oc2ccccn2)c1 ZINC000096122646 564145605 /nfs/dbraw/zinc/14/56/05/564145605.db2.gz YBVLZABKSBEFKQ-UHFFFAOYSA-N 0 0 342.757 4.919 50 0 EJAARN O=C(NCc1ccccc1-c1ccsc1)c1ccc2[nH]ccc2c1 ZINC000096122926 564145653 /nfs/dbraw/zinc/14/56/53/564145653.db2.gz FAHNGJXAPZUBGN-UHFFFAOYSA-N 0 0 332.428 4.826 50 0 EJAARN C[C@H](SC/C=C\c1ccccc1)C(=O)Nc1ccc(F)cc1F ZINC000096126927 564145702 /nfs/dbraw/zinc/14/57/02/564145702.db2.gz QCVRLDGZJNYWHS-UJZCVKTISA-N 0 0 333.403 4.738 50 0 EJAARN CCOc1ccc(-c2cc(-c3cc4ccccc4o3)nc(N)n2)cc1 ZINC000096136977 564145791 /nfs/dbraw/zinc/14/57/91/564145791.db2.gz QGGTWSNXVZYRDH-UHFFFAOYSA-N 0 0 331.375 4.538 50 0 EJAARN C[C@H](NC(=O)c1ccc(Oc2ccccc2Cl)o1)c1ccncc1 ZINC000096183821 564145888 /nfs/dbraw/zinc/14/58/88/564145888.db2.gz OHMGGFNKCZIPLB-LBPRGKRZSA-N 0 0 342.782 4.611 50 0 EJAARN C/C(=C\C(=O)Nc1c(C)nn(C(C)C)c1C)CCc1ccccc1 ZINC000096291732 564146444 /nfs/dbraw/zinc/14/64/44/564146444.db2.gz UPHCTQUGKHZXPQ-FYWRMAATSA-N 0 0 325.456 4.598 50 0 EJAARN CC[C@H](C)[C@H](NC(=O)CC(C)(C)C)c1nc(-c2cccc(C)c2)no1 ZINC000096294209 564146515 /nfs/dbraw/zinc/14/65/15/564146515.db2.gz MGLSFBCXBRPPIO-YOEHRIQHSA-N 0 0 343.471 4.685 50 0 EJAARN CCOCc1ccccc1NC(=O)N(CC)[C@@H](CC)c1ccncc1 ZINC000096418003 564147857 /nfs/dbraw/zinc/14/78/57/564147857.db2.gz XHHCMKOTLOCWRO-IBGZPJMESA-N 0 0 341.455 4.623 50 0 EJAARN CCCCC(=O)Nc1sc(Cc2ccccc2)cc1C(=O)OCC ZINC000022353349 564149203 /nfs/dbraw/zinc/14/92/03/564149203.db2.gz ZLBXNIUXPLAYCU-UHFFFAOYSA-N 0 0 345.464 4.644 50 0 EJAARN Cc1ccc([C@@H]2C[C@H](c3ccc(C(C)C)cc3)n3ncnc3N2)cc1 ZINC000002472009 564149709 /nfs/dbraw/zinc/14/97/09/564149709.db2.gz DVVKEDUMNKHGCG-VQTJNVASSA-N 0 0 332.451 4.856 50 0 EJAARN Cc1cc(N2C(C)=CC(C)(C)NC2=S)ccc1Br ZINC000002490422 564149927 /nfs/dbraw/zinc/14/99/27/564149927.db2.gz BAPUCPKIBXRSPP-UHFFFAOYSA-N 0 0 325.275 4.546 50 0 EJAARN O=C(NC[C@@H](O)c1cccc2ccccc21)c1cc2ccccc2s1 ZINC000225617943 564149996 /nfs/dbraw/zinc/14/99/96/564149996.db2.gz INRDQJGSZKFHAB-GOSISDBHSA-N 0 0 347.439 4.518 50 0 EJAARN Cc1ccc([C@@H]2C[C@@H](c3ccc(C(C)C)cc3)Nc3ncnn32)cc1 ZINC000002500086 564149999 /nfs/dbraw/zinc/14/99/99/564149999.db2.gz VURWMRDUQVGSOW-PMACEKPBSA-N 0 0 332.451 4.856 50 0 EJAARN O=C(c1ccccc1OCc1ccccc1)[C@H]1O[C@@H]1c1ccccc1 ZINC000002597609 564151108 /nfs/dbraw/zinc/15/11/08/564151108.db2.gz ZZINOVZILZHGHN-FGZHOGPDSA-N 0 0 330.383 4.588 50 0 EJAARN Cc1nc2ccc(NC(=O)Cc3coc4cc(C)ccc34)cc2s1 ZINC000002617989 564151148 /nfs/dbraw/zinc/15/11/48/564151148.db2.gz YCUTVGLTXHFKCE-UHFFFAOYSA-N 0 0 336.416 4.841 50 0 EJAARN O=C(CCCSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 ZINC000002619466 564151192 /nfs/dbraw/zinc/15/11/92/564151192.db2.gz AMXVWMDKWGMVLE-UHFFFAOYSA-N 0 0 349.839 4.580 50 0 EJAARN COc1ccc(CSc2ncnc3sc(C)c(C)c32)cc1F ZINC000002620061 564151203 /nfs/dbraw/zinc/15/12/03/564151203.db2.gz MNYBMRURLRJGKC-UHFFFAOYSA-N 0 0 334.441 4.748 50 0 EJAARN C[C@@H](c1ccco1)N(C(=O)c1csc(-c2ccccc2)n1)C1CC1 ZINC000056183201 564151569 /nfs/dbraw/zinc/15/15/69/564151569.db2.gz ISNPQCQXGUWGRE-ZDUSSCGKSA-N 0 0 338.432 4.769 50 0 EJAARN O=C(CCC(=O)c1cccs1)NC(c1ccccc1)c1ccccc1 ZINC000002646954 564151842 /nfs/dbraw/zinc/15/18/42/564151842.db2.gz AQAZFSDZDNVNBF-UHFFFAOYSA-N 0 0 349.455 4.617 50 0 EJAARN CN(C)c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000002648691 564151876 /nfs/dbraw/zinc/15/18/76/564151876.db2.gz NZNLLGXHBYEBBY-UHFFFAOYSA-N 0 0 332.403 4.797 50 0 EJAARN Cc1nc2ccc(NC(=O)c3c(C)onc3-c3ccccc3)cc2s1 ZINC000002652540 564151911 /nfs/dbraw/zinc/15/19/11/564151911.db2.gz FJXOZUDFMOOGEE-UHFFFAOYSA-N 0 0 349.415 4.820 50 0 EJAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2)n1 ZINC000002654547 564151965 /nfs/dbraw/zinc/15/19/65/564151965.db2.gz XTFRBEJDFCJPHJ-UHFFFAOYSA-N 0 0 333.435 4.667 50 0 EJAARN Cc1ccc(C)c(SCC(=O)Nc2ncc(Cl)cc2Cl)c1 ZINC000002658074 564152009 /nfs/dbraw/zinc/15/20/09/564152009.db2.gz YJWORWJVSQIWLC-UHFFFAOYSA-N 0 0 341.263 4.736 50 0 EJAARN CCOc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(CC)c3n2)cc1 ZINC000002733197 564152328 /nfs/dbraw/zinc/15/23/28/564152328.db2.gz FHVUPTGNAIMTPZ-UHFFFAOYSA-N 0 0 349.356 4.844 50 0 EJAARN Clc1ccc(-c2nc(CSc3nc4ccccc4[nH]3)no2)cc1 ZINC000029296097 564153272 /nfs/dbraw/zinc/15/32/72/564153272.db2.gz HIALNIYEPRCMAF-UHFFFAOYSA-N 0 0 342.811 4.559 50 0 EJAARN C[C@@H]1CCCC[C@H]1NC(=O)CCSCc1cccc(Cl)c1 ZINC000002953833 564153777 /nfs/dbraw/zinc/15/37/77/564153777.db2.gz DSJJDQLEEJURQD-CZUORRHYSA-N 0 0 325.905 4.658 50 0 EJAARN O=C(Nc1cccc(-c2nc3cccnc3s2)c1)C1CCCCC1 ZINC000002961469 564153814 /nfs/dbraw/zinc/15/38/14/564153814.db2.gz QEJMZUDNDZNECK-UHFFFAOYSA-N 0 0 337.448 4.877 50 0 EJAARN Cc1cc(Cl)ccc1NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000057412133 564154034 /nfs/dbraw/zinc/15/40/34/564154034.db2.gz WPCVEQQAISTHKU-UHFFFAOYSA-N 0 0 346.217 4.944 50 0 EJAARN C[C@H](Nc1ccc(NC(=O)c2ccncc2F)cc1)c1ccccc1 ZINC000132468975 564154255 /nfs/dbraw/zinc/15/42/55/564154255.db2.gz WJILTJNIBVGXQW-AWEZNQCLSA-N 0 0 335.382 4.646 50 0 EJAARN COc1ccc(Cc2nnc(S[C@@H](C)c3cccc(F)c3)o2)cc1 ZINC000057467565 564154366 /nfs/dbraw/zinc/15/43/66/564154366.db2.gz GJPQIJYWOAMYAE-LBPRGKRZSA-N 0 0 344.411 4.661 50 0 EJAARN Cc1ccc(-c2cc(C(=O)Nc3c(C)cccc3Cl)n[nH]2)cc1 ZINC000057477056 564154424 /nfs/dbraw/zinc/15/44/24/564154424.db2.gz JQAFYPSJQFZCCD-UHFFFAOYSA-N 0 0 325.799 4.599 50 0 EJAARN COCCCN(C(=S)Nc1cc(C)cc(C)c1)[C@H](C)c1ccco1 ZINC000003046559 564154640 /nfs/dbraw/zinc/15/46/40/564154640.db2.gz ORNXLVSJIGXQAP-MRXNPFEDSA-N 0 0 346.496 4.693 50 0 EJAARN Clc1ccccc1-c1nc2ccccc2n1OCc1ccccc1 ZINC000003052843 564154749 /nfs/dbraw/zinc/15/47/49/564154749.db2.gz ANBYRJGWUKTVQO-UHFFFAOYSA-N 0 0 334.806 4.986 50 0 EJAARN Clc1ccc(-c2nc3ccccc3n2OCc2ccccc2)cc1 ZINC000003052854 564154758 /nfs/dbraw/zinc/15/47/58/564154758.db2.gz NTCWGIMHVJNCIO-UHFFFAOYSA-N 0 0 334.806 4.986 50 0 EJAARN Cc1nnc([C@H](C)Nc2cccc(CO[C@@H]3CCC[C@@H](C)C3)c2)o1 ZINC000230141424 564154838 /nfs/dbraw/zinc/15/48/38/564154838.db2.gz WJNPRXMYDZXCND-QWQRMKEZSA-N 0 0 329.444 4.646 50 0 EJAARN CCCCCC[C@@H](C)NC(=O)COc1ccc(Cl)cc1Cl ZINC000003083732 564155059 /nfs/dbraw/zinc/15/50/59/564155059.db2.gz IDMBZPHEVJMMNT-GFCCVEGCSA-N 0 0 332.271 4.847 50 0 EJAARN O=C(Nc1nc(Cl)cc(Cl)n1)Oc1ccc2ccccc2c1 ZINC000003102040 564155171 /nfs/dbraw/zinc/15/51/71/564155171.db2.gz GOKRKRYOXPAEEW-UHFFFAOYSA-N 0 0 334.162 4.548 50 0 EJAARN Cc1ccc(NC(=O)C(F)(F)Oc2cccc(C(F)(F)F)c2)cc1 ZINC000003117003 564155250 /nfs/dbraw/zinc/15/52/50/564155250.db2.gz DXIJENYEKYEOEK-UHFFFAOYSA-N 0 0 345.267 4.624 50 0 EJAARN Nc1c(-c2cccc(Cl)c2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000003133764 564155393 /nfs/dbraw/zinc/15/53/93/564155393.db2.gz SSEDHWCSGXSQLK-UHFFFAOYSA-N 0 0 337.732 4.794 50 0 EJAARN C[C@H](C(=O)c1c[nH]c2ccccc12)N(C)Cc1ccc(Cl)s1 ZINC000057676544 564155409 /nfs/dbraw/zinc/15/54/09/564155409.db2.gz HBAQECIFBSZKHB-LLVKDONJSA-N 0 0 332.856 4.586 50 0 EJAARN C[C@H](NC(=S)NCc1cccs1)c1cccc2ccccc21 ZINC000057767253 564155723 /nfs/dbraw/zinc/15/57/23/564155723.db2.gz BXMSPGAIHINKME-ZDUSSCGKSA-N 0 0 326.490 4.627 50 0 EJAARN Cc1cccc(NC(=O)COc2ccc(Oc3ccccc3)cc2)c1 ZINC000003189426 564155780 /nfs/dbraw/zinc/15/57/80/564155780.db2.gz KDAQBBMCVPRPHQ-UHFFFAOYSA-N 0 0 333.387 4.805 50 0 EJAARN Cc1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)c1C ZINC000003195072 564155857 /nfs/dbraw/zinc/15/58/57/564155857.db2.gz RGBRAXNEJKIDSB-UHFFFAOYSA-N 0 0 329.399 4.787 50 0 EJAARN CCOC(=O)N[C@H](c1ccc(C(C)C)cc1)C(Cl)(Cl)Cl ZINC000003220801 564156139 /nfs/dbraw/zinc/15/61/39/564156139.db2.gz SAKQJXCZZBGWHS-GFCCVEGCSA-N 0 0 338.662 4.967 50 0 EJAARN O=C(CSc1ccc(Cl)cc1)N[C@@H]1CCCc2ccccc21 ZINC000003221387 564156190 /nfs/dbraw/zinc/15/61/90/564156190.db2.gz MUMSXEXPJNHOAJ-QGZVFWFLSA-N 0 0 331.868 4.626 50 0 EJAARN O=C(c1cccc(Oc2ccccc2)c1)N1CCc2ccccc2C1 ZINC000003234332 564156368 /nfs/dbraw/zinc/15/63/68/564156368.db2.gz VHHKOXGPDYCAKA-UHFFFAOYSA-N 0 0 329.399 4.677 50 0 EJAARN O=C(c1cccnc1Cl)N1c2ccccc2CCc2ccccc21 ZINC000003236431 564156427 /nfs/dbraw/zinc/15/64/27/564156427.db2.gz UVOLDSYDOCMUPL-UHFFFAOYSA-N 0 0 334.806 4.812 50 0 EJAARN O=C(CSc1nc2cc(Cl)ccc2o1)c1c[nH]c2ccccc21 ZINC000003244451 564156506 /nfs/dbraw/zinc/15/65/06/564156506.db2.gz NZZPTNROEAKULF-UHFFFAOYSA-N 0 0 342.807 4.938 50 0 EJAARN CC(C)(C)NC(=O)CCN1c2ccccc2Sc2ccccc21 ZINC000003278477 564156899 /nfs/dbraw/zinc/15/68/99/564156899.db2.gz VGDTZRJFOVSDGJ-UHFFFAOYSA-N 0 0 326.465 4.594 50 0 EJAARN COc1ccc(C(=O)Oc2ccc(Cl)c3ccccc23)c(OC)c1 ZINC000003281714 564156905 /nfs/dbraw/zinc/15/69/05/564156905.db2.gz YRNCEYCZROUUPN-UHFFFAOYSA-N 0 0 342.778 4.730 50 0 EJAARN CCCCN1COc2ccc3c(-c4ccc(C)cc4)cc(=O)oc3c2C1 ZINC000057996632 564157064 /nfs/dbraw/zinc/15/70/64/564157064.db2.gz IRKPJXZLWMJXRV-UHFFFAOYSA-N 0 0 349.430 4.720 50 0 EJAARN CCN(C(=S)NC(=O)C1CCCCC1)c1cccc2ccccc21 ZINC000003293259 564157118 /nfs/dbraw/zinc/15/71/18/564157118.db2.gz VMBUKIILLPQLFB-UHFFFAOYSA-N 0 0 340.492 4.648 50 0 EJAARN CC1CCN([C@@H](C(=O)NC2CCCCC2)c2ccc(Cl)cc2)CC1 ZINC000058012684 564157176 /nfs/dbraw/zinc/15/71/76/564157176.db2.gz JSSDUTBKRSCJAU-LJQANCHMSA-N 0 0 348.918 4.562 50 0 EJAARN O=C(Nc1nc2cc(F)c(F)cc2s1)c1ccc(Cl)cc1F ZINC000058113210 564157690 /nfs/dbraw/zinc/15/76/90/564157690.db2.gz PMBDYAIMHOSURG-UHFFFAOYSA-N 0 0 342.729 4.619 50 0 EJAARN CC(=O)c1ccc(-c2ccc(C(=O)N3CCCc4ccccc43)o2)cc1 ZINC000003455704 564158220 /nfs/dbraw/zinc/15/82/20/564158220.db2.gz FLBWCVRFQAHLMT-UHFFFAOYSA-N 0 0 345.398 4.742 50 0 EJAARN COc1cc(C(=O)Nc2ccccc2C)cc(Cl)c1OCC(C)C ZINC000003481403 564158390 /nfs/dbraw/zinc/15/83/90/564158390.db2.gz PXGXJDVDIFRODR-UHFFFAOYSA-N 0 0 347.842 4.944 50 0 EJAARN COc1ccccc1[C@@H](C)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000003486873 564158401 /nfs/dbraw/zinc/15/84/01/564158401.db2.gz UIBAGOQDCZGSRF-QGZVFWFLSA-N 0 0 345.442 4.705 50 0 EJAARN CNc1ccc(Nc2ncnc3sc(-c4ccccc4)cc32)cn1 ZINC000058394156 564158994 /nfs/dbraw/zinc/15/89/94/564158994.db2.gz GKDJHJWPIZOVQO-UHFFFAOYSA-N 0 0 333.420 4.539 50 0 EJAARN COc1ccc([C@H](NC(=O)c2ccc3[nH]c(C)c(C)c3c2)C2CC2)cc1 ZINC000031257611 564159259 /nfs/dbraw/zinc/15/92/59/564159259.db2.gz CWHLULTWLBYYFU-OAQYLSRUSA-N 0 0 348.446 4.674 50 0 EJAARN Cc1nc2ncccn2c1-c1csc(Nc2ccc(C)cc2C)n1 ZINC000003671126 564159321 /nfs/dbraw/zinc/15/93/21/564159321.db2.gz IUAUTUDAHRRCPT-UHFFFAOYSA-N 0 0 335.436 4.522 50 0 EJAARN CCc1sc(N)c(C(=O)OC)c1-c1ccc(Cl)cc1Cl ZINC000031861794 564160071 /nfs/dbraw/zinc/16/00/71/564160071.db2.gz HZRUZLKBXOTOAR-UHFFFAOYSA-N 0 0 330.236 4.653 50 0 EJAARN CCC[C@H](O)c1nc2ccccc2n1CCOc1ccc(C)c(C)c1 ZINC000031903297 564160152 /nfs/dbraw/zinc/16/01/52/564160152.db2.gz GZWVIOZVKCMVSL-FQEVSTJZSA-N 0 0 338.451 4.566 50 0 EJAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3C(C)C)CC2=O)cc1C ZINC000004033291 564160157 /nfs/dbraw/zinc/16/01/57/564160157.db2.gz VHDFDYBTIOFGCL-KRWDZBQOSA-N 0 0 347.462 4.755 50 0 EJAARN CCN(CC)c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000004045633 564160233 /nfs/dbraw/zinc/16/02/33/564160233.db2.gz AUINLLQIWSLITA-UHFFFAOYSA-N 0 0 347.256 4.548 50 0 EJAARN CC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004073874 564160354 /nfs/dbraw/zinc/16/03/54/564160354.db2.gz XXSFRYVGIQYVIQ-XESNHILKSA-N 0 0 330.512 4.761 50 0 biogenic EJAARN CC(=O)O[C@@]1(C)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004074042 564160368 /nfs/dbraw/zinc/16/03/68/564160368.db2.gz YKEIELWRIARSQU-WJONBXBPSA-N 0 0 346.511 4.920 50 0 biogenic EJAARN CC[C@H](C(=O)Nc1c2c(nn1C(C)(C)C)CSC2)c1ccccc1 ZINC000004088671 564160472 /nfs/dbraw/zinc/16/04/72/564160472.db2.gz VMKUFZNIUXKXIC-AWEZNQCLSA-N 0 0 343.496 4.517 50 0 EJAARN CC[C@@](C)(CCN(C(C)=O)[C@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000032069931 564160590 /nfs/dbraw/zinc/16/05/90/564160590.db2.gz ZSQRPKOQHBLCNT-FPOVZHCZSA-N 0 0 331.500 4.551 50 0 EJAARN C[C@H](Oc1cccc2ccccc21)c1nc2c3ccccc3ncn2n1 ZINC000032117731 564160837 /nfs/dbraw/zinc/16/08/37/564160837.db2.gz VTGVDELXKDPIMF-AWEZNQCLSA-N 0 0 340.386 4.571 50 0 EJAARN CCOc1ccc2nc(NC(=O)c3cc(C)cc(C)c3)sc2c1 ZINC000004159340 564160950 /nfs/dbraw/zinc/16/09/50/564160950.db2.gz LXCUVTZSKBTFBP-UHFFFAOYSA-N 0 0 326.421 4.564 50 0 EJAARN Cc1c2ccccc2oc1[C@@H]([NH2+]C1CCC(C(=O)[O-])CC1)C(C)C ZINC000263376788 564161267 /nfs/dbraw/zinc/16/12/67/564161267.db2.gz ASEPKAMMJONXGY-JMLCCBQJSA-N 0 0 329.440 4.671 50 0 EJAARN CCc1cc2c(ncnc2SCc2cn3cccc(C)c3n2)s1 ZINC000007985377 564161842 /nfs/dbraw/zinc/16/18/42/564161842.db2.gz PQJQDNDEVVRAHR-UHFFFAOYSA-N 0 0 340.477 4.502 50 0 EJAARN CC(C)c1ccc(-c2nnc(NC(=O)[C@H]3CC=CCC3)s2)cc1 ZINC000007987318 564161865 /nfs/dbraw/zinc/16/18/65/564161865.db2.gz QCAUXEWNLYMUJE-AWEZNQCLSA-N 0 0 327.453 4.623 50 0 EJAARN Cc1[nH]c2ccc(C(=O)OCC(=O)c3cc4ccccc4o3)cc2c1C ZINC000007987270 564161872 /nfs/dbraw/zinc/16/18/72/564161872.db2.gz WOGXGWCOJYCFFI-UHFFFAOYSA-N 0 0 347.370 4.571 50 0 EJAARN Cc1cccn2c(NC(=O)[C@@H]3CC=CCC3)c(-c3ccccc3)nc12 ZINC000007987813 564161886 /nfs/dbraw/zinc/16/18/86/564161886.db2.gz YUNGRSTVLLAWFV-QGZVFWFLSA-N 0 0 331.419 4.605 50 0 EJAARN Cc1cc(C(=O)Nc2c(-c3ccccc3)nc3ccc(C)cn32)c(C)o1 ZINC000007988357 564161888 /nfs/dbraw/zinc/16/18/88/564161888.db2.gz CJSATKNECYJLHR-UHFFFAOYSA-N 0 0 345.402 4.772 50 0 EJAARN COc1ccc(-c2csc(-c3cccc(OC)c3OC)n2)cc1F ZINC000007987600 564161896 /nfs/dbraw/zinc/16/18/96/564161896.db2.gz PPMAWKVRJBDICT-UHFFFAOYSA-N 0 0 345.395 4.642 50 0 EJAARN CSc1ncccc1C(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000007987551 564161900 /nfs/dbraw/zinc/16/19/00/564161900.db2.gz PFJFZSHWNBDOBF-IBGZPJMESA-N 0 0 348.471 4.517 50 0 EJAARN C[C@@H](NC(=O)c1cc(Cl)nc2ccccc21)c1ccccc1F ZINC000007989147 564161920 /nfs/dbraw/zinc/16/19/20/564161920.db2.gz LQJCXTYDLQHWLU-LLVKDONJSA-N 0 0 328.774 4.518 50 0 EJAARN CC(=O)Nc1ccccc1OCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000008006585 564162078 /nfs/dbraw/zinc/16/20/78/564162078.db2.gz XKPKEWKYQTVIIH-UHFFFAOYSA-N 0 0 342.782 4.532 50 0 EJAARN O=C(Cc1noc2ccccc12)Nc1ccc(-c2ccccc2)cc1 ZINC000008007898 564162088 /nfs/dbraw/zinc/16/20/88/564162088.db2.gz YPQUDNSLKIAJNJ-UHFFFAOYSA-N 0 0 328.371 4.676 50 0 EJAARN Cc1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)cc1C ZINC000008007326 564162103 /nfs/dbraw/zinc/16/21/03/564162103.db2.gz RVFAQGMZIHJCGP-UHFFFAOYSA-N 0 0 328.462 4.670 50 0 EJAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(Cl)cc1C ZINC000008007879 564162110 /nfs/dbraw/zinc/16/21/10/564162110.db2.gz RHJPKWLWVWKKRJ-UHFFFAOYSA-N 0 0 343.839 4.728 50 0 EJAARN CCn1c2ccccc2nc1SCC(=O)c1c(C)[nH]c2ccccc21 ZINC000008013673 564162152 /nfs/dbraw/zinc/16/21/52/564162152.db2.gz KAVZQAUEGKPMGH-UHFFFAOYSA-N 0 0 349.459 4.821 50 0 EJAARN CC[C@H](C)c1ccccc1NC(=O)COc1cccc2cccnc21 ZINC000008037134 564162294 /nfs/dbraw/zinc/16/22/94/564162294.db2.gz CLZMMAQVKGTXIZ-HNNXBMFYSA-N 0 0 334.419 4.766 50 0 EJAARN CC[C@@H](Oc1ccccc1F)C(=O)Nc1cc(Cl)ccc1Cl ZINC000008040957 564162365 /nfs/dbraw/zinc/16/23/65/564162365.db2.gz MDLABZDIUWAIEK-CQSZACIVSA-N 0 0 342.197 4.929 50 0 EJAARN CC(=O)Nc1ccc(-c2nc(COc3ccccc3)sc2C)cc1 ZINC000008042368 564162396 /nfs/dbraw/zinc/16/23/96/564162396.db2.gz ASTXMWXMZMOBBF-UHFFFAOYSA-N 0 0 338.432 4.656 50 0 EJAARN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cc(-c2ccccc2)cs1 ZINC000263508323 564162481 /nfs/dbraw/zinc/16/24/81/564162481.db2.gz MQUGAWWECAKHFH-LZQZEXGQSA-N 0 0 341.476 4.633 50 0 EJAARN COc1cccc(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)c1 ZINC000008115151 564162785 /nfs/dbraw/zinc/16/27/85/564162785.db2.gz QCQOGHWFTAPIHR-HXUWFJFHSA-N 0 0 349.455 4.545 50 0 EJAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(C)cc1Cl ZINC000008122441 564162803 /nfs/dbraw/zinc/16/28/03/564162803.db2.gz ZBPKJGXCDWRRPM-UHFFFAOYSA-N 0 0 343.839 4.728 50 0 EJAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cc2ccccc2o1 ZINC000008131055 564162993 /nfs/dbraw/zinc/16/29/93/564162993.db2.gz ALRTZCIDBAFBBY-GFCCVEGCSA-N 0 0 336.416 4.876 50 0 EJAARN Cc1cc2oc(=O)cc(CSc3ncnc4ccccc43)c2cc1C ZINC000008189560 564163430 /nfs/dbraw/zinc/16/34/30/564163430.db2.gz ITGICLWLKUPBIK-UHFFFAOYSA-N 0 0 348.427 4.645 50 0 EJAARN CCOc1ccc(C(=O)N[C@H](C)c2ccc3ccccc3c2)cc1OC ZINC000008189782 564163450 /nfs/dbraw/zinc/16/34/50/564163450.db2.gz RVRJCVNZQMCZEF-OAHLLOKOSA-N 0 0 349.430 4.738 50 0 EJAARN C[C@@H](NCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1 ZINC000008199515 564163532 /nfs/dbraw/zinc/16/35/32/564163532.db2.gz ZEPGDZYZTQYQKC-LLVKDONJSA-N 0 0 348.233 4.894 50 0 EJAARN Cc1ccc2c(CC(=O)Nc3ccc(OC(F)F)cc3)coc2c1C ZINC000008277511 564163985 /nfs/dbraw/zinc/16/39/85/564163985.db2.gz WGLJZVDBIYPBEB-UHFFFAOYSA-N 0 0 345.345 4.832 50 0 EJAARN CCCSc1nc2ccccc2c(=O)n1-c1ccccc1Cl ZINC000008282609 564164009 /nfs/dbraw/zinc/16/40/09/564164009.db2.gz RRCRZJWKTUENJC-UHFFFAOYSA-N 0 0 330.840 4.541 50 0 EJAARN O=C1CCCN1c1cccc(-c2csc(-c3cccs3)n2)c1 ZINC000008297152 564164066 /nfs/dbraw/zinc/16/40/66/564164066.db2.gz QNAGEIFCRRRDOK-UHFFFAOYSA-N 0 0 326.446 4.665 50 0 EJAARN O=C(c1ccc(-c2ccccc2F)o1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000008306005 564164173 /nfs/dbraw/zinc/16/41/73/564164173.db2.gz CLWDBNQVMZEEMR-HUUCEWRRSA-N 0 0 327.399 4.738 50 0 EJAARN C[C@H](NC(=O)c1ccc(-c2ccccc2F)o1)c1ccc(F)cc1 ZINC000008305378 564164183 /nfs/dbraw/zinc/16/41/83/564164183.db2.gz AGGRIHMJQCLSOK-LBPRGKRZSA-N 0 0 327.330 4.716 50 0 EJAARN O=C(c1ccc(-c2ccccc2F)o1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000008306004 564164190 /nfs/dbraw/zinc/16/41/90/564164190.db2.gz CLWDBNQVMZEEMR-LSDHHAIUSA-N 0 0 327.399 4.738 50 0 EJAARN COc1ccc2cc(CN(C)C(=O)c3ccc4c(c3)CCC4)ccc2c1 ZINC000008360857 564164755 /nfs/dbraw/zinc/16/47/55/564164755.db2.gz RUHVBSWSRFPUMJ-UHFFFAOYSA-N 0 0 345.442 4.609 50 0 EJAARN CCN(C)c1ccc(C(=O)Nc2ccc(-c3nc(C)c(C)o3)cc2)cc1 ZINC000066921388 564164758 /nfs/dbraw/zinc/16/47/58/564164758.db2.gz WEYSRZMQXOMJPI-UHFFFAOYSA-N 0 0 349.434 4.667 50 0 EJAARN Cc1ccc2oc(C(=O)Nc3scnc3-c3ccccc3)cc2n1 ZINC000171556513 564164930 /nfs/dbraw/zinc/16/49/30/564164930.db2.gz JQJFWEMSCZRQRC-UHFFFAOYSA-N 0 0 335.388 4.512 50 0 EJAARN Cc1ccsc1CN(C)C(=O)C1c2ccccc2Oc2ccccc21 ZINC000008391279 564164999 /nfs/dbraw/zinc/16/49/99/564164999.db2.gz RLPTUAOKXGLNMK-UHFFFAOYSA-N 0 0 349.455 4.953 50 0 EJAARN Clc1ccc(-c2nnc(SCc3nc4ccccc4o3)o2)cc1 ZINC000008395670 564165099 /nfs/dbraw/zinc/16/50/99/564165099.db2.gz KEXBGAFMURZQLE-UHFFFAOYSA-N 0 0 343.795 4.824 50 0 EJAARN Cc1nnc(S[C@@H](C)c2ccc(F)cc2)n1-c1cccc(C)c1 ZINC000008427792 564165231 /nfs/dbraw/zinc/16/52/31/564165231.db2.gz VNZAMDUUMABYJJ-ZDUSSCGKSA-N 0 0 327.428 4.877 50 0 EJAARN O=C(OCc1nc2ccccc2o1)C(c1ccccc1)c1ccccc1 ZINC000008500485 564165486 /nfs/dbraw/zinc/16/54/86/564165486.db2.gz LACXRXQHQRXIER-UHFFFAOYSA-N 0 0 343.382 4.703 50 0 EJAARN O=C(/C=C/c1cc2cc(Br)ccc2o1)Nc1ccccc1 ZINC000067339394 564165705 /nfs/dbraw/zinc/16/57/05/564165705.db2.gz DYVYEWKKKGHCEI-VQHVLOKHSA-N 0 0 342.192 4.847 50 0 EJAARN Cc1ccc(NC(=O)CSc2nccn2C2CCCC2)cc1Cl ZINC000008606958 564166008 /nfs/dbraw/zinc/16/60/08/564166008.db2.gz ODHYLJUBFHMQIG-UHFFFAOYSA-N 0 0 349.887 4.691 50 0 EJAARN O=C(Nc1nc2c(s1)CCCCCC2)Nc1ccc(F)cc1F ZINC000008609755 564166046 /nfs/dbraw/zinc/16/60/46/564166046.db2.gz FMHWPZSXWLJDAQ-UHFFFAOYSA-N 0 0 337.395 4.724 50 0 EJAARN CCCCNc1ncnc2c3c4c(c(CCC)nc3sc21)CCC4 ZINC000008625722 564166138 /nfs/dbraw/zinc/16/61/38/564166138.db2.gz AUVNWUYAVYYBEZ-UHFFFAOYSA-N 0 0 340.496 4.893 50 0 EJAARN O=C1/C(=C/c2ccco2)SC(=Nc2ccccc2)N1C1CCCC1 ZINC000008654965 564166219 /nfs/dbraw/zinc/16/62/19/564166219.db2.gz QSTYTUXCWQUINK-KLAKZEAMSA-N 0 0 338.432 4.826 50 0 EJAARN Cc1ccc(NC(=S)N(CCc2ccncc2)C(C)C)c(Cl)c1 ZINC000008673061 564166254 /nfs/dbraw/zinc/16/62/54/564166254.db2.gz DTIUICBGQCZVAU-UHFFFAOYSA-N 0 0 347.915 4.693 50 0 EJAARN COc1ccccc1-c1nc(-c2ccc(NC(C)=O)cc2)c(C)s1 ZINC000008718508 564166859 /nfs/dbraw/zinc/16/68/59/564166859.db2.gz ORXWIYVURBDPAI-UHFFFAOYSA-N 0 0 338.432 4.753 50 0 EJAARN O=C(Nc1nc2c(s1)CCCC2)c1cc(C2CC2)nc2ccccc21 ZINC000008724307 564166938 /nfs/dbraw/zinc/16/69/38/564166938.db2.gz WPKRMGBLKVVQIG-UHFFFAOYSA-N 0 0 349.459 4.700 50 0 EJAARN COc1ccc(CNC(=O)C2(Cc3ccccc3)CCCCC2)cc1 ZINC000008727992 564167012 /nfs/dbraw/zinc/16/70/12/564167012.db2.gz ZRJPPKHZMAGLQC-UHFFFAOYSA-N 0 0 337.463 4.505 50 0 EJAARN CC[C@@H](NC(=O)Cc1c(C)nc2ccccc2c1C)c1ccc(C)cc1 ZINC000008727021 564167029 /nfs/dbraw/zinc/16/70/29/564167029.db2.gz ZLROJZGDLGPNKE-OAQYLSRUSA-N 0 0 346.474 4.970 50 0 EJAARN Cc1c2cc(Cl)c(C)cc2oc1C(=O)N(C)Cc1ccccc1 ZINC000008867567 564167511 /nfs/dbraw/zinc/16/75/11/564167511.db2.gz XRYJVBNSSBVTBS-UHFFFAOYSA-N 0 0 327.811 4.975 50 0 EJAARN Cc1ccc(Nc2nnc(SC[C@@H]3CCCO3)s2)cc1Cl ZINC000040009970 564167826 /nfs/dbraw/zinc/16/78/26/564167826.db2.gz YZAHOHRUJJVKEC-NSHDSACASA-N 0 0 341.889 4.515 50 0 EJAARN COCc1cccc(NC(=O)N[C@@H](c2cccs2)C2CCCC2)c1 ZINC000040104950 564168090 /nfs/dbraw/zinc/16/80/90/564168090.db2.gz LLUKEBFHTSTJID-GOSISDBHSA-N 0 0 344.480 4.948 50 0 EJAARN CC(C)CC[C@@]1(CC(=O)Nc2cncs2)CCO[C@H](C(C)C)C1 ZINC000008992118 564168503 /nfs/dbraw/zinc/16/85/03/564168503.db2.gz VVVCWIBWABJZOL-MAUKXSAKSA-N 0 0 338.517 4.729 50 0 EJAARN CC(=O)c1cn(CCC(=O)N[C@@H](C)CCCC(C)C)c2ccccc12 ZINC000040309528 564168686 /nfs/dbraw/zinc/16/86/86/564168686.db2.gz RDYAAEDQCOASAG-INIZCTEOSA-N 0 0 342.483 4.565 50 0 biogenic EJAARN CCC(=O)N([C@H](c1ccc(OC)cc1)C(C)C)[C@H]1CCOC(C)(C)C1 ZINC000009049213 564168688 /nfs/dbraw/zinc/16/86/88/564168688.db2.gz KHZRESOVCBXIDW-PXNSSMCTSA-N 0 0 347.499 4.589 50 0 EJAARN CC(C)c1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1 ZINC000009172163 564170875 /nfs/dbraw/zinc/17/08/75/564170875.db2.gz YBENXQCICQFTHN-UHFFFAOYSA-N 0 0 331.228 4.612 50 0 EJAARN Cc1cc(SC(C)(C)C)ccc1NC(=O)N(C)Cc1ccncc1 ZINC000069628873 564171045 /nfs/dbraw/zinc/17/10/45/564171045.db2.gz FCISHPRSYFPLIH-UHFFFAOYSA-N 0 0 343.496 4.945 50 0 EJAARN COc1ccc(C2=NN(c3nc(C)cs3)[C@H](c3ccccc3)C2)cc1 ZINC000009305382 564172415 /nfs/dbraw/zinc/17/24/15/564172415.db2.gz LWXQFBXIVMABHI-IBGZPJMESA-N 0 0 349.459 4.816 50 0 EJAARN C[C@H](CNC(=O)c1cc(C2CC2)nc2ccccc21)c1ccccc1 ZINC000009377242 564173171 /nfs/dbraw/zinc/17/31/71/564173171.db2.gz BNUUYMLZLWHFNP-OAHLLOKOSA-N 0 0 330.431 4.646 50 0 EJAARN Clc1ccc(C2=N[C@@H]3N=C(c4ccccc4)S[C@H]3S2)cc1 ZINC000041097523 564173182 /nfs/dbraw/zinc/17/31/82/564173182.db2.gz APJAYBKWRXQIPW-BBRMVZONSA-N 0 0 330.865 4.679 50 0 EJAARN COc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2C[C@@H]2c2ccco2)cc1 ZINC000070004171 564173220 /nfs/dbraw/zinc/17/32/20/564173220.db2.gz VRTWGQRWALVIPP-OTWHNJEPSA-N 0 0 339.435 4.536 50 0 EJAARN CC[C@@H](C)c1noc([C@H]2CCCCN2C(=O)CCC2CCCC2)n1 ZINC000041123383 564173396 /nfs/dbraw/zinc/17/33/96/564173396.db2.gz ZAJQCHGHJDKMRI-GDBMZVCRSA-N 0 0 333.476 4.607 50 0 EJAARN CC[C@H](C)c1noc([C@H]2CCCCN2C(=O)CCC2CCCC2)n1 ZINC000041123385 564173397 /nfs/dbraw/zinc/17/33/97/564173397.db2.gz ZAJQCHGHJDKMRI-GOEBONIOSA-N 0 0 333.476 4.607 50 0 EJAARN Cc1ccc(Sc2oc(-c3ccccc3)nc2C(=O)N(C)C)cc1 ZINC000041154810 564173566 /nfs/dbraw/zinc/17/35/66/564173566.db2.gz UNICXPLINPAURA-UHFFFAOYSA-N 0 0 338.432 4.503 50 0 EJAARN CCCCOc1ccccc1C(=O)Nc1ccc(C)c2ncccc12 ZINC000041156673 564173576 /nfs/dbraw/zinc/17/35/76/564173576.db2.gz QUPPJCYBTXPFPY-UHFFFAOYSA-N 0 0 334.419 4.974 50 0 EJAARN CCCCOc1ccc(C(=O)Nc2ccc(C)c3ncccc23)cc1 ZINC000041156782 564173602 /nfs/dbraw/zinc/17/36/02/564173602.db2.gz QENVXPIBKXOURO-UHFFFAOYSA-N 0 0 334.419 4.974 50 0 EJAARN Cc1c2cc(NC(=O)c3ccco3)ccc2oc1C(=O)c1ccccc1 ZINC000009419609 564173650 /nfs/dbraw/zinc/17/36/50/564173650.db2.gz KZSNBDWQUWBAIC-UHFFFAOYSA-N 0 0 345.354 4.818 50 0 EJAARN COc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc(F)cc2)cc1 ZINC000009871363 564174719 /nfs/dbraw/zinc/17/47/19/564174719.db2.gz WJXDGEZIAUOFRV-LJQANCHMSA-N 0 0 342.414 4.984 50 0 EJAARN Cc1[nH]c2ccc(C(=O)N[C@H]3CCSc4ccccc43)cc2c1C ZINC000009866013 564174724 /nfs/dbraw/zinc/17/47/24/564174724.db2.gz MSGADYBAEWEVRA-SFHVURJKSA-N 0 0 336.460 4.752 50 0 EJAARN COc1ccc2cc(CNC(=O)c3c(C)[nH]c4ccccc43)ccc2c1 ZINC000009942278 564174885 /nfs/dbraw/zinc/17/48/85/564174885.db2.gz ZCUOTJIZPIIJEV-UHFFFAOYSA-N 0 0 344.414 4.568 50 0 EJAARN C[C@@H](Sc1nnc(C(C)(C)C)o1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000042570037 564175028 /nfs/dbraw/zinc/17/50/28/564175028.db2.gz JLOKYDZZFOOTQO-UZNLNLPZSA-N 0 0 348.512 4.633 50 0 EJAARN Cc1nc(SCc2cn3ccccc3n2)n(C2CCCCC2)c1C ZINC000071798084 564175392 /nfs/dbraw/zinc/17/53/92/564175392.db2.gz HENBZPQOYSGUKL-UHFFFAOYSA-N 0 0 340.496 4.945 50 0 EJAARN Cc1nc(Cc2ccccc2)sc1C(=O)N(C)C1CCCCCC1 ZINC000078355161 564176947 /nfs/dbraw/zinc/17/69/47/564176947.db2.gz RXYICQWKPBDINM-UHFFFAOYSA-N 0 0 342.508 4.837 50 0 EJAARN O=C(/C=C1/Sc2ccccc2N1Cc1ccccc1)c1ccncc1 ZINC000033281590 564177498 /nfs/dbraw/zinc/17/74/98/564177498.db2.gz NZDFEKMXAMFBCG-KGENOOAVSA-N 0 0 344.439 4.918 50 0 EJAARN CCCC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(SC)cc1 ZINC000035317922 564177516 /nfs/dbraw/zinc/17/75/16/564177516.db2.gz NMEOYUMQVSXLOI-JXAWBTAJSA-N 0 0 336.460 4.995 50 0 EJAARN C=C[C@](C)(C[C@@H](OC)[C@@]1(C)C2=C(CCC2=O)CC[C@H]1C)C(=O)CC ZINC000043762387 564177678 /nfs/dbraw/zinc/17/76/78/564177678.db2.gz ANCHGALOVXDQRM-STCFGPAYSA-N 0 0 332.484 4.659 50 0 EJAARN CCc1c(C)scc1C1N=NC(=S)N1c1cc(C)ccc1C ZINC000006519535 568414813 /nfs/dbraw/zinc/41/48/13/568414813.db2.gz PKLVGBWYNSHZAX-UHFFFAOYSA-N 0 0 329.494 4.772 50 0 EJAARN Clc1ccc(C2=Nc3ncnn3[C@@H](c3ccccc3Cl)C2)cc1 ZINC000100687838 568416101 /nfs/dbraw/zinc/41/61/01/568416101.db2.gz QWTXUURPCZUESE-MRXNPFEDSA-N 0 0 343.217 4.641 50 0 EJAARN CCc1nc2c3ccccc3oc2c(Nc2ccc(NC(C)=O)cc2)n1 ZINC000005164778 568416505 /nfs/dbraw/zinc/41/65/05/568416505.db2.gz KXHOTUACVSVKPS-UHFFFAOYSA-N 0 0 346.390 4.640 50 0 EJAARN O=C(c1ccccc1OCc1ccc(F)cc1)N1CCc2ccccc21 ZINC000014909364 568418101 /nfs/dbraw/zinc/41/81/01/568418101.db2.gz ZBRMUJYZTSRNIH-UHFFFAOYSA-N 0 0 347.389 4.608 50 0 EJAARN CCCCN(Cc1ccc(C)s1)C(=O)NCc1ccc(F)cc1 ZINC000426632909 568418834 /nfs/dbraw/zinc/41/88/34/568418834.db2.gz ROXLHJLPSROKBH-UHFFFAOYSA-N 0 0 334.460 4.708 50 0 EJAARN Cc1cc(C(=O)Nc2nc3ccc4nc(C)sc4c3s2)c(C)o1 ZINC000036688999 568421431 /nfs/dbraw/zinc/42/14/31/568421431.db2.gz CQIPBRFKKPNCBH-UHFFFAOYSA-N 0 0 343.433 4.677 50 0 EJAARN C/C=C\c1ccc(OCCSc2nc3ccccc3[nH]2)c(OC)c1 ZINC000050574824 214059425 /nfs/dbraw/zinc/05/94/25/214059425.db2.gz VIQKMWCRLUGFTL-UTCJRWHESA-N 0 0 340.448 4.776 50 0 EJAARN c1ccc(COc2ccc(CNc3nc4ccccc4[nH]3)cc2)cc1 ZINC000004741725 210266276 /nfs/dbraw/zinc/26/62/76/210266276.db2.gz NJPXZBKSMYTHRA-UHFFFAOYSA-N 0 0 329.403 4.754 50 0 EJAARN Cc1ccc(C)c(C(=O)CSc2nnc(-c3ccccc3C)o2)c1 ZINC000004740816 210265331 /nfs/dbraw/zinc/26/53/31/210265331.db2.gz YWOVWIBEQVKGIR-UHFFFAOYSA-N 0 0 338.432 4.637 50 0 EJAARN Cc1cc(Br)ccc1NC(=O)Nc1cccc(F)c1C ZINC000051354554 214089884 /nfs/dbraw/zinc/08/98/84/214089884.db2.gz QNFSGRMVGPSLKF-UHFFFAOYSA-N 0 0 337.192 4.849 50 0 EJAARN O=C(Nc1cccc(Br)c1)Nc1ccc(F)cc1Cl ZINC000051354353 214090191 /nfs/dbraw/zinc/09/01/91/214090191.db2.gz IEKJCHVTLFUYSA-UHFFFAOYSA-N 0 0 343.583 4.886 50 0 EJAARN O=C(c1ccccc1)N(Cc1ccco1)Cc1cccc(Cl)c1 ZINC000006810639 201700044 /nfs/dbraw/zinc/70/00/44/201700044.db2.gz RYWKRYZQBUTMRG-UHFFFAOYSA-N 0 0 325.795 4.776 50 0 EJAARN CC1CCN(C(=S)c2ccc(OCc3ccccc3F)cc2)CC1 ZINC000004723311 210260254 /nfs/dbraw/zinc/26/02/54/210260254.db2.gz WHWOYUNJKHHOAL-UHFFFAOYSA-N 0 0 343.467 4.812 50 0 EJAARN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccccc1OC(F)F ZINC000004718036 210257787 /nfs/dbraw/zinc/25/77/87/210257787.db2.gz FWDYCYCFWRLWKN-UHFFFAOYSA-N 0 0 335.394 4.833 50 0 EJAARN CCSc1ncnc2c1sc1nc(C)c3c(c12)CC(C)(C)OC3 ZINC000004707942 210254384 /nfs/dbraw/zinc/25/43/84/210254384.db2.gz WWBKQCVTPWPPSQ-UHFFFAOYSA-N 0 0 345.493 4.511 50 0 EJAARN CC[C@@H](C)N1C(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2C1=O ZINC000004704029 210253848 /nfs/dbraw/zinc/25/38/48/210253848.db2.gz PWDYQCQLJMPVRY-ZHHULCEESA-N 0 0 337.463 4.549 50 0 EJAARN COc1cc(C=O)ccc1OCCCCOc1cc(C)cc(C)c1C ZINC000004701998 210253302 /nfs/dbraw/zinc/25/33/02/210253302.db2.gz UDNAIERXTDUNDO-UHFFFAOYSA-N 0 0 342.435 4.671 50 0 EJAARN Cc1ccn(-c2ccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)n1 ZINC000004697950 210252502 /nfs/dbraw/zinc/25/25/02/210252502.db2.gz NCVPBYQUMHKMKS-UHFFFAOYSA-N 0 0 349.478 4.726 50 0 EJAARN CC(=O)c1cccc(NC(=O)c2c[nH]cc2-c2ccc(Cl)s2)c1 ZINC000054675299 214250098 /nfs/dbraw/zinc/25/00/98/214250098.db2.gz OHJOVWPBXZQOFH-UHFFFAOYSA-N 0 0 344.823 4.852 50 0 EJAARN O=C(c1cccnc1/C=C/c1ccc(C(F)(F)F)cc1)N1CCCC1 ZINC000097743388 219053948 /nfs/dbraw/zinc/05/39/48/219053948.db2.gz PJOLMRSXNQDKMZ-JXMROGBWSA-N 0 0 346.352 4.507 50 0 EJAARN CC(C)c1csc(CN(Cc2ccsc2)Cc2cccnc2)n1 ZINC000055153558 214280555 /nfs/dbraw/zinc/28/05/55/214280555.db2.gz QMNJFGIYMUVZEW-UHFFFAOYSA-N 0 0 343.521 4.925 50 0 EJAARN CCOc1cc(CN(C)[C@@H](C)c2ccccn2)cc(Cl)c1OCC ZINC000055393386 214316915 /nfs/dbraw/zinc/31/69/15/214316915.db2.gz WGLOZRXPLGZCCD-AWEZNQCLSA-N 0 0 348.874 4.725 50 0 EJAARN CCc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccc(C)o2)cc1 ZINC000055393464 214318533 /nfs/dbraw/zinc/31/85/33/214318533.db2.gz BECJBDBUZZICEA-UHFFFAOYSA-N 0 0 348.402 4.655 50 0 EJAARN CCOc1ccc(CN(Cc2csc(C(C)=O)c2)C2CC2)cc1 ZINC000055575907 214332319 /nfs/dbraw/zinc/33/23/19/214332319.db2.gz CGGNWRIDSRZDTJ-UHFFFAOYSA-N 0 0 329.465 4.514 50 0 EJAARN CC(=O)Nc1ccc(C)c(NCc2c(C)cc(C)c(C(C)=O)c2C)c1 ZINC000055841454 214343868 /nfs/dbraw/zinc/34/38/68/214343868.db2.gz WODMIIVVUDHJGN-UHFFFAOYSA-N 0 0 338.451 4.693 50 0 EJAARN O=C(Nc1cc(Cl)ccc1Cl)N1CCC[C@@H]1c1ccccn1 ZINC000056520387 214378197 /nfs/dbraw/zinc/37/81/97/214378197.db2.gz NUCVZKABGPBEMR-OAHLLOKOSA-N 0 0 336.222 4.757 50 0 EJAARN C[C@@H](NC(=O)Nc1ccccc1COc1ccccc1)c1ccncc1 ZINC000056748339 214386796 /nfs/dbraw/zinc/38/67/96/214386796.db2.gz XLYBAYZRDYVCOW-MRXNPFEDSA-N 0 0 347.418 4.543 50 0 EJAARN Cn1c(-c2cccc(Cl)c2)cn2cc(-c3ccc(F)cc3)nc12 ZINC000004678281 210244568 /nfs/dbraw/zinc/24/45/68/210244568.db2.gz IJJGVKQLNYMSPB-UHFFFAOYSA-N 0 0 325.774 4.799 50 0 EJAARN CC[C@H]1c2ccsc2CCN1C(=O)N[C@@H](C)c1sc(C)nc1C ZINC000057283389 214416152 /nfs/dbraw/zinc/41/61/52/214416152.db2.gz AJVODLBMPZSRSZ-FZMZJTMJSA-N 0 0 349.525 4.601 50 0 EJAARN COc1cccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 ZINC000004672224 210242421 /nfs/dbraw/zinc/24/24/21/210242421.db2.gz DNAYWGBXBZCHGC-UHFFFAOYSA-N 0 0 333.387 4.527 50 0 EJAARN Cc1ccc(NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc1 ZINC000004672456 210242378 /nfs/dbraw/zinc/24/23/78/210242378.db2.gz NNBFWPPRHCNGGU-NRFANRHFSA-N 0 0 327.427 4.940 50 0 EJAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000004673533 210242316 /nfs/dbraw/zinc/24/23/16/210242316.db2.gz VFOHHJUJVGOCTD-HNNXBMFYSA-N 0 0 337.394 4.837 50 0 EJAARN C[C@@H]1CCC[C@@H](NC(=O)CCSCc2ccccc2Cl)[C@@H]1C ZINC000004671574 210242335 /nfs/dbraw/zinc/24/23/35/210242335.db2.gz IFZFMGNQCVHAHD-CKEIUWERSA-N 0 0 339.932 4.904 50 0 EJAARN CC(=O)Nc1cccc(Nc2nnc(SC3CCCCC3)s2)c1 ZINC000057992213 214468648 /nfs/dbraw/zinc/46/86/48/214468648.db2.gz OZFXKUXKABOMJB-UHFFFAOYSA-N 0 0 348.497 4.665 50 0 EJAARN Cc1cccc(Nc2nnc(SCCc3ccncc3)s2)c1C ZINC000007032653 201710147 /nfs/dbraw/zinc/71/01/47/201710147.db2.gz FGWJWXYJOWVREP-UHFFFAOYSA-N 0 0 342.493 4.628 50 0 EJAARN Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)/C=C\c1ccco1 ZINC000098009162 219067934 /nfs/dbraw/zinc/06/79/34/219067934.db2.gz SYCJTBQVOCEHOH-BSYHEUMXSA-N 0 0 338.432 4.602 50 0 EJAARN Cc1cc(C(=O)NC2(c3ccccc3)CCC2)c(C)n1Cc1ccco1 ZINC000058377738 214566344 /nfs/dbraw/zinc/56/63/44/214566344.db2.gz NFQWQPSPZCGRFW-UHFFFAOYSA-N 0 0 348.446 4.555 50 0 EJAARN 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/nfs/dbraw/zinc/54/89/74/209548974.db2.gz BQOHVRNUHJXBFC-UHFFFAOYSA-N 0 0 329.179 4.731 50 0 EJAARN CCC(=O)c1ccc(OC(=O)c2ccc(C)c(Br)c2)cc1 ZINC000000357382 209548428 /nfs/dbraw/zinc/54/84/28/209548428.db2.gz SCVMFQVWNVOZMT-UHFFFAOYSA-N 0 0 347.208 4.569 50 0 EJAARN O=C(Nc1nc2ccccc2n1C1CCCCC1)c1ccsc1 ZINC000040145759 202427540 /nfs/dbraw/zinc/42/75/40/202427540.db2.gz OOISQAUCCAAAIX-UHFFFAOYSA-N 0 0 325.437 4.855 50 0 EJAARN O=C(Nc1ccc(C(=O)c2ccccc2)cc1)c1cccc(Cl)c1 ZINC000000364783 209553560 /nfs/dbraw/zinc/55/35/60/209553560.db2.gz NYPQZQMIJGYTGR-UHFFFAOYSA-N 0 0 335.790 4.823 50 0 EJAARN O=C(Oc1ccc2ccc(O)cc2c1)c1ccc(Br)cc1 ZINC000000365152 209553644 /nfs/dbraw/zinc/55/36/44/209553644.db2.gz JKZOZBPSMMSVDV-UHFFFAOYSA-N 0 0 343.176 4.527 50 0 EJAARN Cc1nc2sc3c(c2c(Oc2cccc4cccnc42)n1)CCC3 ZINC000000350875 209545549 /nfs/dbraw/zinc/54/55/49/209545549.db2.gz LLNFKLXIJZPQQJ-UHFFFAOYSA-N 0 0 333.416 4.829 50 0 EJAARN C[C@@H](S[C@H]1Cc2cc(Cl)ccc2Sc2ccccc21)C(N)=O ZINC000000346651 209542941 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212690801 /nfs/dbraw/zinc/69/08/01/212690801.db2.gz KMGPWROYYNTSML-LBPRGKRZSA-N 0 0 344.336 4.745 50 0 EJAARN COc1ccccc1NCc1nc2ccccc2n1Cc1ccccc1 ZINC000000237801 209499097 /nfs/dbraw/zinc/49/90/97/209499097.db2.gz JEOTXIHHYCQVKU-UHFFFAOYSA-N 0 0 343.430 4.705 50 0 EJAARN Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000000218823 209491460 /nfs/dbraw/zinc/49/14/60/209491460.db2.gz SMDFLYZYLDQAPS-UHFFFAOYSA-N 0 0 345.229 4.823 50 0 EJAARN CCc1ccc(/C=C2/C(=O)Nc3ccc(Br)cc32)cc1 ZINC000000213414 209488250 /nfs/dbraw/zinc/48/82/50/209488250.db2.gz YZPWIGJYQUJUES-OQLLNIDSSA-N 0 0 328.209 4.504 50 0 EJAARN Cc1ccc(NC(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)cc1 ZINC000000192834 209475583 /nfs/dbraw/zinc/47/55/83/209475583.db2.gz NVTHFQCBDXOCQK-UHFFFAOYSA-N 0 0 348.185 4.661 50 0 EJAARN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Nc1ccc(C)cc1C ZINC000028744465 212634115 /nfs/dbraw/zinc/63/41/15/212634115.db2.gz RBHCWZMXKZVYGI-AWEZNQCLSA-N 0 0 346.858 4.713 50 0 EJAARN Cc1nc2c(ccc3nc(NC(=O)c4cccs4)sc32)s1 ZINC000000190220 209473890 /nfs/dbraw/zinc/47/38/90/209473890.db2.gz BPNKQVOVLARHPR-UHFFFAOYSA-N 0 0 331.447 4.528 50 0 EJAARN CN(C)c1ccc(C(=O)Nc2nc3c(ccc4ccccc34)s2)cc1 ZINC000000189359 209473239 /nfs/dbraw/zinc/47/32/39/209473239.db2.gz WXXISWHNBLEABD-UHFFFAOYSA-N 0 0 347.443 4.768 50 0 EJAARN Cc1ccc(C2=N/C(=C\c3ccc(Cl)c(Cl)c3)C(=O)O2)cc1C ZINC000000177156 209466321 /nfs/dbraw/zinc/46/63/21/209466321.db2.gz QJBUFEMBRPHMQA-SXGWCWSVSA-N 0 0 346.213 4.955 50 0 EJAARN COc1ccc(-c2csc(-c3cc4ccccc4oc3=O)n2)cc1 ZINC000000178155 209466352 /nfs/dbraw/zinc/46/63/52/209466352.db2.gz MNJNKIGNPJCTCY-UHFFFAOYSA-N 0 0 335.384 4.592 50 0 EJAARN CCN(C)C(=O)c1cc2sc(C)cc2n1Cc1ccccc1Cl ZINC000037587862 213159592 /nfs/dbraw/zinc/15/95/92/213159592.db2.gz KIRABASMNUBPII-UHFFFAOYSA-N 0 0 346.883 4.805 50 0 EJAARN COc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1OC ZINC000000180288 209468266 /nfs/dbraw/zinc/46/82/66/209468266.db2.gz WYZCLHSUCWYLIC-UHFFFAOYSA-N 0 0 344.414 4.769 50 0 EJAARN Nc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1 ZINC000000155627 209455932 /nfs/dbraw/zinc/45/59/32/209455932.db2.gz XWSBTBHNERIRTD-UHFFFAOYSA-N 0 0 339.192 4.993 50 0 EJAARN CC(C)c1ccccc1OCC(=O)Nc1ccccc1Br ZINC000000148554 209452417 /nfs/dbraw/zinc/45/24/17/209452417.db2.gz SHTJURZGTTUZAC-UHFFFAOYSA-N 0 0 348.240 4.590 50 0 EJAARN O=C(CNC(=O)c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 ZINC000000146818 209450579 /nfs/dbraw/zinc/45/05/79/209450579.db2.gz HKLSQOGOFOPFCR-UHFFFAOYSA-N 0 0 349.817 4.620 50 0 EJAARN O=C1N=C(Nc2ccc(F)c(Cl)c2)C(=Cc2cccnc2)S1 ZINC000072400789 216194210 /nfs/dbraw/zinc/19/42/10/216194210.db2.gz WIQJULFPQOMGNE-MLPAPPSSSA-N 0 0 333.775 4.592 50 0 EJAARN O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccc(Cl)cc1 ZINC000000134150 209442160 /nfs/dbraw/zinc/44/21/60/209442160.db2.gz GYIATIVHZCVDOL-UHFFFAOYSA-N 0 0 346.814 4.779 50 0 EJAARN COc1ccc(NC(=O)c2c(C)c(-c3ccccc3)sc2N)cc1 ZINC000000127318 209438262 /nfs/dbraw/zinc/43/82/62/209438262.db2.gz XZQQJTYZNVAWRS-UHFFFAOYSA-N 0 0 338.432 4.567 50 0 EJAARN Cc1ccc(-c2ccc(OCC(=O)Nc3ccccc3F)cc2)cc1 ZINC000000121399 209434912 /nfs/dbraw/zinc/43/49/12/209434912.db2.gz DNLBSVAWSXNPOB-UHFFFAOYSA-N 0 0 335.378 4.819 50 0 EJAARN O=C(c1ccc(F)cc1)n1nccc1-c1csc(-c2ccccc2)n1 ZINC000000122588 209434868 /nfs/dbraw/zinc/43/48/68/209434868.db2.gz RYDAWLGILLADSQ-UHFFFAOYSA-N 0 0 349.390 4.501 50 0 EJAARN Cc1ccc2nsnc2c1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000000097703 209418753 /nfs/dbraw/zinc/41/87/53/209418753.db2.gz XYOULMFXTYXCIA-UHFFFAOYSA-N 0 0 338.219 4.559 50 0 EJAARN Cc1ccc(C(=O)COc2ccc(NC(=O)c3ccccc3)cc2)cc1 ZINC000000107882 209424913 /nfs/dbraw/zinc/42/49/13/209424913.db2.gz WNYOCFPPSLLUAN-UHFFFAOYSA-N 0 0 345.398 4.509 50 0 EJAARN Cc1ccc2c(c1)c1c3n2CCN(C(=O)C2CCCCC2)[C@@H]3CCC1 ZINC000000105636 209423855 /nfs/dbraw/zinc/42/38/55/209423855.db2.gz PRRGPTQZLUPJRQ-HXUWFJFHSA-N 0 0 336.479 4.750 50 0 EJAARN O=C(NC1CCCC1)c1ccc(COc2ccc3ccccc3c2)o1 ZINC000000115621 209430844 /nfs/dbraw/zinc/43/08/44/209430844.db2.gz FFOVSWOISDIPKK-UHFFFAOYSA-N 0 0 335.403 4.684 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4.712 50 0 EJAARN CCc1ccc(-c2nn(-c3ccccc3)c(=O)c3ccccc32)cc1 ZINC000000062035 209395368 /nfs/dbraw/zinc/39/53/68/209395368.db2.gz CIZXUDMJRCMFHC-UHFFFAOYSA-N 0 0 326.399 4.615 50 0 EJAARN Cc1cc(OCC(=O)Nc2cccc(Cl)c2C)cc(C)c1Cl ZINC000000063620 209395411 /nfs/dbraw/zinc/39/54/11/209395411.db2.gz SGKWYXNGEMJEEX-UHFFFAOYSA-N 0 0 338.234 4.936 50 0 EJAARN Cc1ccccc1C(=O)Oc1ccc(OC(=O)c2ccccc2C)cc1 ZINC000000058944 209394846 /nfs/dbraw/zinc/39/48/46/209394846.db2.gz JVVAIJILMZXYSN-UHFFFAOYSA-N 0 0 346.382 4.742 50 0 EJAARN O=c1cc(-c2ccc(Br)cc2)oc2ccc(Cl)cc12 ZINC000000057788 209393650 /nfs/dbraw/zinc/39/36/50/209393650.db2.gz OKFJOQWIJPOHNX-UHFFFAOYSA-N 0 0 335.584 4.876 50 0 biogenic,in-vitro EJAARN COc1cccc(C(=O)N2c3ccccc3CCc3ccccc32)c1 ZINC000000055125 209393366 /nfs/dbraw/zinc/39/33/66/209393366.db2.gz FIRWZFWFRCJCKB-UHFFFAOYSA-N 0 0 329.399 4.772 50 0 EJAARN Cc1c2cc(Cl)ccc2oc1C(=O)Nc1onc2c1C[C@H](C)CC2 ZINC000027794715 212578952 /nfs/dbraw/zinc/57/89/52/212578952.db2.gz 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201534367 /nfs/dbraw/zinc/53/43/67/201534367.db2.gz WCLFIAUKIXMXEE-UHFFFAOYSA-N 0 0 335.266 4.987 50 0 EJAARN Cc1cc(NC(=O)c2cc(-c3ccccc3C)nc3ccccc32)no1 ZINC000002748977 201543160 /nfs/dbraw/zinc/54/31/60/201543160.db2.gz XASUPINESJILNY-UHFFFAOYSA-N 0 0 343.386 4.759 50 0 EJAARN Cc1ccc(N(Cc2ccco2)C(=O)[C@H]2Cc3ccccc3S2)cc1 ZINC000021445322 212224288 /nfs/dbraw/zinc/22/42/88/212224288.db2.gz LKPKZQNYAAZPTE-HXUWFJFHSA-N 0 0 349.455 4.838 50 0 EJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1cccc2cccnc21 ZINC000002820976 201547936 /nfs/dbraw/zinc/54/79/36/201547936.db2.gz HGMJDSNZURGQRY-UHFFFAOYSA-N 0 0 347.201 4.559 50 0 EJAARN CSCc1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1 ZINC000021247702 212218059 /nfs/dbraw/zinc/21/80/59/212218059.db2.gz BNPXPNLUKHBODS-UHFFFAOYSA-N 0 0 346.502 4.987 50 0 EJAARN CC(C)N(C(=O)Nc1ccc(Cl)c(Cl)c1)C1=NC[C@@H](C)S1 ZINC000003024806 201554453 /nfs/dbraw/zinc/55/44/53/201554453.db2.gz OCJGVXPTHHSHEA-SECBINFHSA-N 0 0 346.283 4.727 50 0 EJAARN CC1(C)CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)C1 ZINC000076067132 216700598 /nfs/dbraw/zinc/70/05/98/216700598.db2.gz RJARPSZIFMRWRR-UHFFFAOYSA-N 0 0 346.430 4.881 50 0 EJAARN Cc1ccc2nc(C(=O)Nc3ccccc3C(F)(F)F)sc2c1 ZINC000021157913 212212871 /nfs/dbraw/zinc/21/28/71/212212871.db2.gz HTXYFRDJMMZQFL-UHFFFAOYSA-N 0 0 336.338 4.876 50 0 EJAARN O=C(c1cccc(COc2ccccc2Cl)c1)N1CCCCCC1 ZINC000003638800 201580266 /nfs/dbraw/zinc/58/02/66/201580266.db2.gz FMRNIECFCKFNFP-UHFFFAOYSA-N 0 0 343.854 4.935 50 0 EJAARN O=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000003898820 201584513 /nfs/dbraw/zinc/58/45/13/201584513.db2.gz SQIBVJCFMCUNGG-JOCHJYFZSA-N 0 0 326.399 4.855 50 0 EJAARN O=C(OCc1c(F)cccc1Cl)c1cnc(Cl)c(Cl)c1 ZINC000003341503 201567161 /nfs/dbraw/zinc/56/71/61/201567161.db2.gz KONZSHGHNPCRQT-UHFFFAOYSA-N 0 0 334.561 4.538 50 0 EJAARN O=C(CCC(=O)c1ccc(Cl)s1)Nc1cnc2ccccc2c1 ZINC000021136303 212211028 /nfs/dbraw/zinc/21/10/28/212211028.db2.gz YYUVCZIDEHLRIV-UHFFFAOYSA-N 0 0 344.823 4.551 50 0 EJAARN CC1(C)[C@H](NC(=O)c2c(Cl)cccc2Cl)[C@]2(C)CC[C@H]1C2 ZINC000004343342 201598597 /nfs/dbraw/zinc/59/85/97/201598597.db2.gz UJEZDQXZFCYVMC-GLZQIGESSA-N 0 0 326.267 4.938 50 0 EJAARN CC[C@@H](C)c1ccc(NC(=O)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000004506983 201603601 /nfs/dbraw/zinc/60/36/01/201603601.db2.gz RKDJDRWCAQZHQX-CQSZACIVSA-N 0 0 331.437 4.514 50 0 EJAARN Cc1cccc(NC(=O)NCCc2csc3c2CCCC3)c1C ZINC000021088112 212204145 /nfs/dbraw/zinc/20/41/45/212204145.db2.gz SQIYOSLIRBEPRK-UHFFFAOYSA-N 0 0 328.481 4.608 50 0 EJAARN Cc1c(C[NH2+]C2CCCCC2)c(C(=O)[O-])c(C)n1-c1ccc(C)cc1 ZINC000021025296 212201233 /nfs/dbraw/zinc/20/12/33/212201233.db2.gz HMJFLXTXARGUIA-UHFFFAOYSA-N 0 0 340.467 4.523 50 0 EJAARN COc1ccc(C(=O)Nc2nc3c(ccc(Cl)c3C)s2)cc1 ZINC000004292202 201596567 /nfs/dbraw/zinc/59/65/67/201596567.db2.gz DJKXOGBZZDCMSU-UHFFFAOYSA-N 0 0 332.812 4.519 50 0 EJAARN Cn1c(-c2ccc(Cl)c(Cl)c2)cnc1NC(=O)c1ccccc1 ZINC000004678213 201610836 /nfs/dbraw/zinc/61/08/36/201610836.db2.gz ZWWOTPFETFQEPD-UHFFFAOYSA-N 0 0 346.217 4.646 50 0 EJAARN Cc1ccnc(NC(=O)CSCc2ccc(Cl)cc2Cl)c1 ZINC000021001348 212198987 /nfs/dbraw/zinc/19/89/87/212198987.db2.gz MBTKYTZCAUXMRY-UHFFFAOYSA-N 0 0 341.263 4.569 50 0 EJAARN CO[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000004701923 201613667 /nfs/dbraw/zinc/61/36/67/201613667.db2.gz ILCAMHRLCDDSRN-NRFANRHFSA-N 0 0 347.414 4.592 50 0 EJAARN Cc1oc(C23CC4CC(CC(C4)C2)C3)cc1C(=O)N1CCCCC1 ZINC000004718043 201614059 /nfs/dbraw/zinc/61/40/59/201614059.db2.gz GQUYKOLUMLMIOR-UHFFFAOYSA-N 0 0 327.468 4.682 50 0 EJAARN CCc1ccc(NC(=O)C[C@H](c2ccccc2C)n2cccc2)cc1 ZINC000020998629 212198029 /nfs/dbraw/zinc/19/80/29/212198029.db2.gz XVFAKQPEIYWWCS-OAQYLSRUSA-N 0 0 332.447 4.977 50 0 EJAARN O=C(C[C@H](c1cccc(F)c1)n1cccc1)Nc1ccc(F)cc1F ZINC000020998051 212198038 /nfs/dbraw/zinc/19/80/38/212198038.db2.gz POPCVAJRQGEGJL-GOSISDBHSA-N 0 0 344.336 4.524 50 0 EJAARN CCc1ccccc1NC(=O)C[C@H](c1cccc(C)c1)n1cccc1 ZINC000020998945 212198120 /nfs/dbraw/zinc/19/81/20/212198120.db2.gz IGALHJCYCTYUCR-OAQYLSRUSA-N 0 0 332.447 4.977 50 0 EJAARN Cc1ccc(NC(=O)C[C@@H](c2cccc(F)c2)n2cccc2)cc1F ZINC000020998185 212197694 /nfs/dbraw/zinc/19/76/94/212197694.db2.gz UBMLEGBAJFLAFW-IBGZPJMESA-N 0 0 340.373 4.693 50 0 EJAARN CCc1ccccc1NC(=O)C[C@@H](c1cccc(F)c1)n1cccc1 ZINC000020998062 212197756 /nfs/dbraw/zinc/19/77/56/212197756.db2.gz ABYISOVMBGUODT-FQEVSTJZSA-N 0 0 336.410 4.808 50 0 EJAARN CCc1ccccc1NC(=O)C[C@H](c1cccc(F)c1)n1cccc1 ZINC000020998064 212197599 /nfs/dbraw/zinc/19/75/99/212197599.db2.gz ABYISOVMBGUODT-HXUWFJFHSA-N 0 0 336.410 4.808 50 0 EJAARN CC(=O)NC[C@]1(C)CCC[C@@]2(C)c3ccc(C(C)C)cc3CC[C@H]12 ZINC000004776363 201617544 /nfs/dbraw/zinc/61/75/44/201617544.db2.gz FODXIORRSBDQQV-FSSWDIPSSA-N 0 0 327.512 4.956 50 0 EJAARN CCc1ccc(NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)cc1 ZINC000020995729 212196614 /nfs/dbraw/zinc/19/66/14/212196614.db2.gz BHSJBPQPPCCMAM-UHFFFAOYSA-N 0 0 325.799 4.545 50 0 EJAARN O=C(C[C@@H](c1cccs1)n1cccc1)Nc1ccccc1Cl ZINC000020997205 212196542 /nfs/dbraw/zinc/19/65/42/212196542.db2.gz QNVXDLKAOKFFDE-HNNXBMFYSA-N 0 0 330.840 4.821 50 0 EJAARN COc1ccc([C@@H](CC(=O)Nc2ccc(C)cc2C)n2cccc2)cc1 ZINC000020997528 212196151 /nfs/dbraw/zinc/19/61/51/212196151.db2.gz KFDTXMOMJQQHIP-OAQYLSRUSA-N 0 0 348.446 4.732 50 0 EJAARN Cc1ccc(NC(=O)C[C@@H](c2ccco2)n2cccc2)c(Cl)c1 ZINC000020997360 212195778 /nfs/dbraw/zinc/19/57/78/212195778.db2.gz ITXXNIPROIICKO-INIZCTEOSA-N 0 0 328.799 4.661 50 0 EJAARN C[C@@H]1Cc2ccccc2N1c1ccc(C(=O)NC2CCCCC2)s1 ZINC000020985978 212195058 /nfs/dbraw/zinc/19/50/58/212195058.db2.gz KUKGQKJUMDACFQ-CQSZACIVSA-N 0 0 340.492 4.893 50 0 EJAARN O=C(NCC12CC3CC(CC(C3)C1)C2)c1csc2ccccc12 ZINC000004893634 201625550 /nfs/dbraw/zinc/62/55/50/201625550.db2.gz SBGBEWUZSRRNDK-UHFFFAOYSA-N 0 0 325.477 4.848 50 0 EJAARN Cc1cc2cc(CNC(=S)Nc3cccc(Cl)c3)ccc2n1C ZINC000004925099 201626391 /nfs/dbraw/zinc/62/63/91/201626391.db2.gz GWMNBIZMOAGXSK-UHFFFAOYSA-N 0 0 343.883 4.627 50 0 EJAARN Cc1ccsc1[C@H](Cc1ccccc1)N[C@@H](C)c1nnc(C)s1 ZINC000242273595 243014199 /nfs/dbraw/zinc/01/41/99/243014199.db2.gz YEGCRZSMWKBBTC-BBRMVZONSA-N 0 0 343.521 4.851 50 0 EJAARN CCc1cc(=O)oc2cc(OCc3cccc(C)c3)c(Cl)cc12 ZINC000005548216 201654791 /nfs/dbraw/zinc/65/47/91/201654791.db2.gz NALDTHRBESTEAZ-UHFFFAOYSA-N 0 0 328.795 4.896 50 0 EJAARN Nc1nnc(S[C@@H](c2ccccc2)c2ccc(Cl)cc2)s1 ZINC000005636600 201658133 /nfs/dbraw/zinc/65/81/33/201658133.db2.gz OORWCVAUGNKOEZ-ZDUSSCGKSA-N 0 0 333.869 4.655 50 0 EJAARN O=C(Nc1ccc(-c2nc(-c3ccccc3)no2)cc1)c1ccccc1 ZINC000020900062 212185043 /nfs/dbraw/zinc/18/50/43/212185043.db2.gz CJDTVJMRHGBVJM-UHFFFAOYSA-N 0 0 341.370 4.656 50 0 EJAARN CCC[C@H]1c2ccc(C)n2CCN1C(=O)Nc1ccccc1CC ZINC000020900389 212184827 /nfs/dbraw/zinc/18/48/27/212184827.db2.gz TYIDLDDZSROKBL-SFHVURJKSA-N 0 0 325.456 4.748 50 0 EJAARN CCC[C@@H]1c2ccc(C)n2CCN1C(=O)Nc1cc(C)ccc1C ZINC000020900187 212184225 /nfs/dbraw/zinc/18/42/25/212184225.db2.gz UFXMRKXMKLSNOI-GOSISDBHSA-N 0 0 325.456 4.802 50 0 EJAARN CCCCOc1cccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)c1 ZINC000020897339 212183700 /nfs/dbraw/zinc/18/37/00/212183700.db2.gz KFOAWOZHMKAARX-ZDUSSCGKSA-N 0 0 344.480 4.699 50 0 EJAARN O=C(CCn1ccc2ccccc21)Nc1cccc(C(F)(F)F)c1 ZINC000020894755 212183327 /nfs/dbraw/zinc/18/33/27/212183327.db2.gz ZDDFKXSZZLJRSQ-UHFFFAOYSA-N 0 0 332.325 4.689 50 0 EJAARN CCc1ccc(NC(=S)Nc2sc(C)c(C)c2C(=O)OC)cc1 ZINC000006283935 201677709 /nfs/dbraw/zinc/67/77/09/201677709.db2.gz RBDWCAIJFNHYLP-UHFFFAOYSA-N 0 0 348.493 4.523 50 0 EJAARN Fc1ccc(NC(=S)NN(c2ccccc2)c2ccccc2)cc1 ZINC000006475480 201682728 /nfs/dbraw/zinc/68/27/28/201682728.db2.gz VCXUVGIFNPLVRM-UHFFFAOYSA-N 0 0 337.423 4.865 50 0 EJAARN CCOc1ccc(-c2nc(-c3ccccc3OC)cs2)cc1OC ZINC000006542325 201684465 /nfs/dbraw/zinc/68/44/65/201684465.db2.gz GGNNMIMULATTIN-UHFFFAOYSA-N 0 0 341.432 4.893 50 0 EJAARN Cc1cc2occ(CC(=O)Nc3nc4ccccc4[nH]3)c2cc1C(C)C ZINC000006567112 201686231 /nfs/dbraw/zinc/68/62/31/201686231.db2.gz JPWWMIYVAPJDGH-UHFFFAOYSA-N 0 0 347.418 4.922 50 0 EJAARN C[C@]12CC[C@@H]3c4ccc(O)c(Br)c4CC[C@@H]3[C@H]1CCC2=O ZINC000245296657 243104409 /nfs/dbraw/zinc/10/44/09/243104409.db2.gz NQFVJAYQCZUYON-YVVSIOMPSA-N 0 0 349.268 4.580 50 0 biogenic EJAARN C[C@]12CC[C@@H]3c4ccc(O)c(Br)c4CC[C@H]3[C@H]1CCC2=O ZINC000245296656 243104520 /nfs/dbraw/zinc/10/45/20/243104520.db2.gz NQFVJAYQCZUYON-JCTQEILZSA-N 0 0 349.268 4.580 50 0 biogenic EJAARN C[C@@H](c1ccccc1)N(C)C(=O)CSc1nc2ccccc2s1 ZINC000020822639 212174244 /nfs/dbraw/zinc/17/42/44/212174244.db2.gz LIFCSPSAGCOVAY-ZDUSSCGKSA-N 0 0 342.489 4.608 50 0 EJAARN COc1ccc2c(ccn2CC(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000020724425 212166011 /nfs/dbraw/zinc/16/60/11/212166011.db2.gz XOMCRNDLMGYLNU-UHFFFAOYSA-N 0 0 349.217 4.595 50 0 EJAARN CCc1cc([C@@H]2CCCN2C(=O)Nc2cccc(Cl)c2C)on1 ZINC000064985099 202821534 /nfs/dbraw/zinc/82/15/34/202821534.db2.gz DWMYERYVHKFBEO-HNNXBMFYSA-N 0 0 333.819 4.568 50 0 EJAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2cc(C(C)C)on2)cc1C ZINC000064984628 202821564 /nfs/dbraw/zinc/82/15/64/202821564.db2.gz AGCGVIDERZASLB-QGZVFWFLSA-N 0 0 327.428 4.784 50 0 EJAARN Cc1c(C)n(-c2cccnc2)c2nc(-c3ccccc3)c(C)c(N)c12 ZINC000020714181 212162648 /nfs/dbraw/zinc/16/26/48/212162648.db2.gz PEQPXFSFQVDKHB-UHFFFAOYSA-N 0 0 328.419 4.595 50 0 EJAARN Brc1ccc(-c2ccc(NCc3ccccc3)nn2)cc1 ZINC000020725657 212164483 /nfs/dbraw/zinc/16/44/83/212164483.db2.gz NZSUWZOQUQXMAX-UHFFFAOYSA-N 0 0 340.224 4.518 50 0 EJAARN Cc1ccc(F)c(-c2c(-c3ccccc3)ncn2CCCO)c1Cl ZINC000065383335 202840080 /nfs/dbraw/zinc/84/00/80/202840080.db2.gz IVCWKVBJNWETIX-UHFFFAOYSA-N 0 0 344.817 4.700 50 0 EJAARN Cc1c(C)c(=O)oc2c(C)c3c(cc12)CN([C@H](C)c1ccccc1)CO3 ZINC000020609870 212155244 /nfs/dbraw/zinc/15/52/44/212155244.db2.gz NOWIEVGAHHVHMC-MRXNPFEDSA-N 0 0 349.430 4.631 50 0 biogenic EJAARN CCc1cc(=O)oc2c(C)c3c(cc12)CN([C@@H](C)c1ccccc1)CO3 ZINC000020609842 212154574 /nfs/dbraw/zinc/15/45/74/212154574.db2.gz WWJFFTLQBPNILR-HNNXBMFYSA-N 0 0 349.430 4.577 50 0 biogenic EJAARN COc1cc(Cl)cc2cc(/C=C/C(=O)Nc3ccc(F)cc3)oc21 ZINC000067339924 202911685 /nfs/dbraw/zinc/91/16/85/202911685.db2.gz NRRMMSQPXZNITQ-VOTSOKGWSA-N 0 0 345.757 4.886 50 0 EJAARN Cc1ccc(Nc2ncnc3onc(-c4ccc(F)cc4)c32)c(C)c1 ZINC000020574527 212148582 /nfs/dbraw/zinc/14/85/82/212148582.db2.gz ZIWBJJIWJLNGBM-UHFFFAOYSA-N 0 0 334.354 4.784 50 0 EJAARN COc1ccc([C@@H](C)NC(=O)c2cc(SC)ccc2Cl)cc1 ZINC000020551169 212147073 /nfs/dbraw/zinc/14/70/73/212147073.db2.gz MTHNCEUDUFJLKV-LLVKDONJSA-N 0 0 335.856 4.562 50 0 EJAARN O=[S@](Cc1coc(-c2ccc(F)cc2)n1)Cc1ccccc1Cl ZINC000069350716 202989539 /nfs/dbraw/zinc/98/95/39/202989539.db2.gz IECFKMIRIZBEJL-HSZRJFAPSA-N 0 0 349.814 4.583 50 0 EJAARN Cc1cccc(-c2cccc(CNC(=O)c3ccc[nH]c3=S)c2)c1 ZINC000069490490 203009357 /nfs/dbraw/zinc/00/93/57/203009357.db2.gz GDQXUMHYAUARLU-UHFFFAOYSA-N 0 0 334.444 4.650 50 0 EJAARN Cc1csc(Nc2ccc(NC(=O)c3ccc[nH]c3=S)cc2)n1 ZINC000069815059 203053601 /nfs/dbraw/zinc/05/36/01/203053601.db2.gz SMHYJCWXFZOHIB-UHFFFAOYSA-N 0 0 342.449 4.505 50 0 EJAARN Cc1ccccc1N(C(=O)c1csc(C(F)(F)F)n1)C(C)C ZINC000253416175 243935133 /nfs/dbraw/zinc/93/51/33/243935133.db2.gz LZUBUDKJTJETAG-UHFFFAOYSA-N 0 0 328.359 4.526 50 0 EJAARN C[C@@H](Cc1cc2ccccc2o1)NC(=O)Cc1c(F)cccc1Cl ZINC000253471450 243991389 /nfs/dbraw/zinc/99/13/89/243991389.db2.gz CQICSIGQDZPQDI-LBPRGKRZSA-N 0 0 345.801 4.515 50 0 EJAARN Cc1nnc(-c2ccc(NCc3ncc(-c4ccccc4)s3)cc2)o1 ZINC000092414106 203082469 /nfs/dbraw/zinc/08/24/69/203082469.db2.gz PEKZLNOQCGGMGN-UHFFFAOYSA-N 0 0 348.431 4.781 50 0 EJAARN CC1=Nc2c(c(=O)[nH]n2C2CCCCCC2)[C@H](c2cccnc2)S1 ZINC000071284667 203089666 /nfs/dbraw/zinc/08/96/66/203089666.db2.gz SHVVHVHXHLTRLO-INIZCTEOSA-N 0 0 342.468 4.765 50 0 EJAARN CC(C)c1cc(C(=O)Nc2c(F)cccc2F)n(-c2ccccc2)n1 ZINC000071283313 203090010 /nfs/dbraw/zinc/09/00/10/203090010.db2.gz PDQRNJHUHKGFLV-UHFFFAOYSA-N 0 0 341.361 4.526 50 0 EJAARN O=C1CS[C@@H](c2cccc(OC(F)F)c2)c2sccc2N1 ZINC000071283129 203090116 /nfs/dbraw/zinc/09/01/16/203090116.db2.gz KUTJLPLGPPMQCT-LBPRGKRZSA-N 0 0 327.377 4.774 50 0 EJAARN CC1=Nc2c(c(=O)[nH]n2C2CCCCCC2)[C@H](C(F)(F)F)S1 ZINC000071288789 203091265 /nfs/dbraw/zinc/09/12/65/203091265.db2.gz AMGQDDSTMWPADL-LLVKDONJSA-N 0 0 333.379 4.884 50 0 EJAARN O=C1N=C(Nc2ccccc2)C(=Cc2ccc3ncccc3c2)S1 ZINC000071289083 203091808 /nfs/dbraw/zinc/09/18/08/203091808.db2.gz YAGYDNVFFPTMNX-ATVHPVEESA-N 0 0 331.400 4.953 50 0 EJAARN COc1cccc(-c2ccnc3c(-c4ccc(Cl)cc4)cnn32)c1 ZINC000071375370 203093774 /nfs/dbraw/zinc/09/37/74/203093774.db2.gz WHWRLHPKPSRKPH-UHFFFAOYSA-N 0 0 335.794 4.725 50 0 EJAARN CSc1ccc([C@](C)(O)[C@H](c2ccccc2)c2ccccn2)cc1 ZINC000071767167 203112296 /nfs/dbraw/zinc/11/22/96/203112296.db2.gz BZMSVJSCYVEWBD-RTWAWAEBSA-N 0 0 335.472 4.843 50 0 EJAARN CO[C@H](Cn1ccnc1-c1ccnc2ccccc21)c1cccs1 ZINC000071405619 203095433 /nfs/dbraw/zinc/09/54/33/203095433.db2.gz HWUKCRCCVZMAQC-QGZVFWFLSA-N 0 0 335.432 4.548 50 0 EJAARN O=C(NCCCn1c2ccccc2c2ccccc21)c1ccccc1 ZINC000020436085 212129032 /nfs/dbraw/zinc/12/90/32/212129032.db2.gz XAXJUFPXCAULGW-UHFFFAOYSA-N 0 0 328.415 4.615 50 0 EJAARN CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000071822973 203120010 /nfs/dbraw/zinc/12/00/10/203120010.db2.gz JVLIZKWNJLZCSK-OAHLLOKOSA-N 0 0 331.843 4.545 50 0 EJAARN CCCC[C@@H](CC)C(=O)Nc1ccc2c(c1)c(OC(C)C)nn2C ZINC000257173661 244066739 /nfs/dbraw/zinc/06/67/39/244066739.db2.gz UMHHEEROCGMRPI-CQSZACIVSA-N 0 0 331.460 4.515 50 0 EJAARN O=C(Nc1ccccc1-n1ccnc1)c1ccc(-c2ccc(F)cc2)o1 ZINC000071874322 203134989 /nfs/dbraw/zinc/13/49/89/203134989.db2.gz DOEVXAMEXZDILH-UHFFFAOYSA-N 0 0 347.349 4.524 50 0 EJAARN CCOc1ccc(C(=O)c2cc3cc(Br)ccc3o2)cc1 ZINC000020362311 212122513 /nfs/dbraw/zinc/12/25/13/212122513.db2.gz FDWITTLVIJBHSS-UHFFFAOYSA-N 0 0 345.192 4.825 50 0 EJAARN C[C@H]1CCCC[C@H]1OCc1nc2ccc(-c3ccccc3)cc2c(=O)[nH]1 ZINC000072051953 203159748 /nfs/dbraw/zinc/15/97/48/203159748.db2.gz JGVIGPQZUQUVSB-MGPUTAFESA-N 0 0 348.446 4.685 50 0 EJAARN COCc1nn2c(nccc2-c2ccccc2)c1-c1cccc(Cl)c1 ZINC000072119220 203163398 /nfs/dbraw/zinc/16/33/98/203163398.db2.gz QWLGMGYCYCHHTE-UHFFFAOYSA-N 0 0 349.821 4.863 50 0 EJAARN Fc1ccccc1Nc1ncnc2onc(-c3ccc(Cl)cc3)c21 ZINC000020329817 212119482 /nfs/dbraw/zinc/11/94/82/212119482.db2.gz KACNDARDTYPJSL-UHFFFAOYSA-N 0 0 340.745 4.821 50 0 EJAARN O=C1c2ccccc2[C@H](Nc2ccc(Cl)cn2)N1Cc1ccccc1 ZINC000020319138 212118970 /nfs/dbraw/zinc/11/89/70/212118970.db2.gz WQMOQUADXZKYHF-LJQANCHMSA-N 0 0 349.821 4.502 50 0 EJAARN O=C(Nc1cccc2ccccc21)N1CCCC[C@@H]1CCn1ccnc1 ZINC000072155899 203174121 /nfs/dbraw/zinc/17/41/21/203174121.db2.gz OTGGQDLEVMTVPU-GOSISDBHSA-N 0 0 348.450 4.513 50 0 EJAARN CC(=O)c1sccc1-c1cc(NCc2ccccn2)nc2[nH]ccc21 ZINC000072169496 203181124 /nfs/dbraw/zinc/18/11/24/203181124.db2.gz XATJFDAOMJOSAR-UHFFFAOYSA-N 0 0 348.431 4.501 50 0 EJAARN O=C1Nc2ccc(Br)cc2/C1=C/c1ccc(Cl)cc1 ZINC000020114015 212103109 /nfs/dbraw/zinc/10/31/09/212103109.db2.gz XURITLBBXWDNPY-QPEQYQDCSA-N 0 0 334.600 4.595 50 0 EJAARN Cc1cc(C)c(NC(=O)c2cnc(-c3ccccc3)nc2C)c(C)c1 ZINC000075437321 203314570 /nfs/dbraw/zinc/31/45/70/203314570.db2.gz JKDIKLCTHXDQGZ-UHFFFAOYSA-N 0 0 331.419 4.630 50 0 EJAARN COc1ccc2cc([C@@H]3SCC(=O)N3c3ccccc3)ccc2c1 ZINC000019927274 212084918 /nfs/dbraw/zinc/08/49/18/212084918.db2.gz DNKCISOKTVGYDL-FQEVSTJZSA-N 0 0 335.428 4.627 50 0 EJAARN COc1ccc2cc([C@H]3SCC(=O)N3c3ccccc3)ccc2c1 ZINC000019927278 212084712 /nfs/dbraw/zinc/08/47/12/212084712.db2.gz DNKCISOKTVGYDL-HXUWFJFHSA-N 0 0 335.428 4.627 50 0 EJAARN CCOC(=O)c1sc2ncnc(Nc3ccccc3Cl)c2c1C ZINC000019926683 212084468 /nfs/dbraw/zinc/08/44/68/212084468.db2.gz PGOZBVYRKLUZNE-UHFFFAOYSA-N 0 0 347.827 4.573 50 0 EJAARN CCc1cccc(NC(=O)CCc2ccc3[nH]c(C(C)C)nc3c2)c1 ZINC000075465762 203315090 /nfs/dbraw/zinc/31/50/90/203315090.db2.gz ICRPQMKWXABQHO-UHFFFAOYSA-N 0 0 335.451 4.820 50 0 EJAARN COc1ccc(Cl)cc1COc1cccc(Oc2ncccn2)c1 ZINC000075582067 203320127 /nfs/dbraw/zinc/32/01/27/203320127.db2.gz FITLEPLDUJHZSE-UHFFFAOYSA-N 0 0 342.782 4.510 50 0 EJAARN C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C(C)(C)C(=O)CC[C@@]4(C)[C@H]3CC[C@@]21C ZINC000257358835 244584358 /nfs/dbraw/zinc/58/43/58/244584358.db2.gz WSGNVOUHNLZNHQ-JTBILLDWSA-N 0 0 330.512 4.905 50 0 EJAARN CC(C)(COCc1ccccc1)Nc1ccc(Br)cc1 ZINC000257355170 244584575 /nfs/dbraw/zinc/58/45/75/244584575.db2.gz OFLZYXXGVJYDNJ-UHFFFAOYSA-N 0 0 334.257 4.856 50 0 EJAARN O=C(c1ccc2scnc2c1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000077470932 203390614 /nfs/dbraw/zinc/39/06/14/203390614.db2.gz PENCWHPACRMAMQ-KRWDZBQOSA-N 0 0 340.423 4.803 50 0 EJAARN CC(C)[C@@H]1SCC(=O)Nc2c1cnn2Cc1ccccc1Cl ZINC000079484196 203445114 /nfs/dbraw/zinc/44/51/14/203445114.db2.gz OSSQVVSYVIJIMW-HNNXBMFYSA-N 0 0 335.860 4.617 50 0 EJAARN CCOCCOc1ccc(NCc2ccccc2OC(C)C)cc1 ZINC000019738432 212059554 /nfs/dbraw/zinc/05/95/54/212059554.db2.gz JHHONKPPZLLVQV-UHFFFAOYSA-N 0 0 329.440 4.501 50 0 EJAARN COCCOc1cccc(NCc2ccc(Cl)cc2Cl)c1 ZINC000019737570 212059225 /nfs/dbraw/zinc/05/92/25/212059225.db2.gz ICEDTDKOWWWNEA-UHFFFAOYSA-N 0 0 326.223 4.631 50 0 EJAARN CC[C@H](C)c1ccccc1O[C@@H](CC)C(=O)Nc1ccc(N)cc1C ZINC000019736779 212059357 /nfs/dbraw/zinc/05/93/57/212059357.db2.gz PBVZXKRMTXAWOD-LIRRHRJNSA-N 0 0 340.467 4.887 50 0 EJAARN CC[C@H](C)c1ccccc1O[C@@H](CC)C(=O)Nc1cc(N)ccc1F ZINC000019736796 212059111 /nfs/dbraw/zinc/05/91/11/212059111.db2.gz QOMYZJZKWZAJTE-UGSOOPFHSA-N 0 0 344.430 4.718 50 0 EJAARN CC[C@H](C)c1ccccc1OCCNc1cccc(OCCOC)c1 ZINC000019737569 212059205 /nfs/dbraw/zinc/05/92/05/212059205.db2.gz QVHQDCBILKMBNK-KRWDZBQOSA-N 0 0 343.467 4.716 50 0 EJAARN O=C(NCc1ccc(OC(F)F)cc1)c1ccc(Cl)c(Cl)c1 ZINC000019601356 212051145 /nfs/dbraw/zinc/05/11/45/212051145.db2.gz WVOSSNJLLYQREG-UHFFFAOYSA-N 0 0 346.160 4.525 50 0 EJAARN Cc1cc(C)c(NC(=O)c2cc(Br)ccc2F)c(C)c1 ZINC000019477415 212030871 /nfs/dbraw/zinc/03/08/71/212030871.db2.gz IZCKMJUJFGHBOA-UHFFFAOYSA-N 0 0 336.204 4.766 50 0 EJAARN O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc2nccnc2c1 ZINC000095469669 203748036 /nfs/dbraw/zinc/74/80/36/203748036.db2.gz LZBHUYSASZXJOS-UHFFFAOYSA-N 0 0 340.386 4.626 50 0 EJAARN CCc1ccc(C2=Nc3ncnn3[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000100968143 204000255 /nfs/dbraw/zinc/00/02/55/204000255.db2.gz KQJDXNNAZOPPQF-GOSISDBHSA-N 0 0 336.826 4.550 50 0 EJAARN O=C1CC(c2cccs2)=Nc2ccccc2N1Cc1ccccc1 ZINC000102300880 204035602 /nfs/dbraw/zinc/03/56/02/204035602.db2.gz PZRGORYWJANJGC-UHFFFAOYSA-N 0 0 332.428 4.806 50 0 EJAARN C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCc2ccccc21 ZINC000102679525 204046278 /nfs/dbraw/zinc/04/62/78/204046278.db2.gz RYACLYYUNQHKCI-GFCCVEGCSA-N 0 0 325.799 4.514 50 0 EJAARN Cc1noc2c1[C@@H](C(C)C)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 ZINC000102744152 204048253 /nfs/dbraw/zinc/04/82/53/204048253.db2.gz ZSELBJCXALPKGL-SUMWQHHRSA-N 0 0 338.407 4.904 50 0 EJAARN Cc1noc2c1[C@H](C(C)C)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 ZINC000102744157 204049175 /nfs/dbraw/zinc/04/91/75/204049175.db2.gz ZSELBJCXALPKGL-GUYCJALGSA-N 0 0 338.407 4.904 50 0 EJAARN Cc1ncsc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000105972641 204181630 /nfs/dbraw/zinc/18/16/30/204181630.db2.gz DTWUYRHBYJFWGS-XLIONFOSSA-N 0 0 347.443 4.694 50 0 EJAARN O=C(Nc1cccc(CNCc2cccc(Cl)c2Cl)c1)C1CC1 ZINC000048332672 204346559 /nfs/dbraw/zinc/34/65/59/204346559.db2.gz XIJYUMHKZZNNNZ-UHFFFAOYSA-N 0 0 349.261 4.632 50 0 EJAARN Cc1cccc(OCCSCC(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000048373842 204351027 /nfs/dbraw/zinc/35/10/27/204351027.db2.gz WUYMFJJMMYZHIZ-UHFFFAOYSA-N 0 0 349.883 4.708 50 0 EJAARN CC(C)[C@H](NC(=O)C1CCOCC1)c1ccc(C2CCCCC2)cc1 ZINC000019311676 212014418 /nfs/dbraw/zinc/01/44/18/212014418.db2.gz SXMXQLFYFARHJK-NRFANRHFSA-N 0 0 343.511 4.974 50 0 EJAARN CC(C)c1ccc([C@@H](C)NC(=O)c2ccc(C(F)(F)F)nc2)cc1 ZINC000048287611 213912373 /nfs/dbraw/zinc/91/23/73/213912373.db2.gz KHHOMHPVPUDJOO-GFCCVEGCSA-N 0 0 336.357 4.715 50 0 EJAARN CSc1ccc([C@H]2CC(=O)Nc3c2cnn3Cc2ccccc2)cc1 ZINC000049550667 214018359 /nfs/dbraw/zinc/01/83/59/214018359.db2.gz XQRYUNOVPWEQKD-QGZVFWFLSA-N 0 0 349.459 4.777 50 0 EJAARN O=C(Cc1cccc2ccccc21)N(Cc1ccccc1F)C1CC1 ZINC000019296108 212013490 /nfs/dbraw/zinc/01/34/90/212013490.db2.gz ZNUVVHGERNLTTM-UHFFFAOYSA-N 0 0 333.406 4.713 50 0 EJAARN Cc1c(Cl)cccc1NC(=O)c1cc(F)ccc1Br ZINC000019197949 212003365 /nfs/dbraw/zinc/00/33/65/212003365.db2.gz QLAAZKQBFJXHDU-UHFFFAOYSA-N 0 0 342.595 4.802 50 0 EJAARN C[C@@H]1CC[C@@H](c2cccn2C)N(C(=S)Nc2ccccc2)CC1 ZINC000018943507 211997035 /nfs/dbraw/zinc/99/70/35/211997035.db2.gz DTCACUGAERELGV-QAPCUYQASA-N 0 0 327.497 4.585 50 0 EJAARN Cc1cc(C)c2c(N)c(-c3nc4cccc(Cl)c4o3)sc2n1 ZINC000078546462 217070976 /nfs/dbraw/zinc/07/09/76/217070976.db2.gz DOJFFOLALQSEII-UHFFFAOYSA-N 0 0 329.812 4.957 50 0 EJAARN CN(Cc1ccccc1N1CCCC1)C(=O)Nc1ccc(Cl)cc1 ZINC000017743697 211972198 /nfs/dbraw/zinc/97/21/98/211972198.db2.gz HKGKPWWYKFRERF-UHFFFAOYSA-N 0 0 343.858 4.604 50 0 EJAARN Cc1ccc(-n2ncc3c2ncnc3Nc2ccccc2C)cc1Cl ZINC000017136040 211956597 /nfs/dbraw/zinc/95/65/97/211956597.db2.gz OOGIECCGRBMINK-UHFFFAOYSA-N 0 0 349.825 4.829 50 0 EJAARN C[C@@H](c1ccccc1)N1C(=S)N=NC1CSCc1ccccc1 ZINC000017071477 211952733 /nfs/dbraw/zinc/95/27/33/211952733.db2.gz YVSVSHCBILHZFQ-AWEZNQCLSA-N 0 0 341.505 4.610 50 0 EJAARN Cc1ccc(C)c([C@@H](C)NC(=S)NCc2ccc(Cl)cc2)c1 ZINC000017068486 211949192 /nfs/dbraw/zinc/94/91/92/211949192.db2.gz OQLPHKPQDZWNCX-CQSZACIVSA-N 0 0 332.900 4.682 50 0 EJAARN Cc1cc(C)n(C(=O)c2scc(-c3ccccc3)c2-n2cccc2)n1 ZINC000017011501 211945688 /nfs/dbraw/zinc/94/56/88/211945688.db2.gz CHEBGFQWPIQSJD-UHFFFAOYSA-N 0 0 347.443 4.708 50 0 EJAARN CCN(Cc1ccncc1)C(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000016215720 211889701 /nfs/dbraw/zinc/88/97/01/211889701.db2.gz RKXZBJSBLHNRHU-UHFFFAOYSA-N 0 0 340.279 4.607 50 0 EJAARN Cc1csc(NC(=O)c2ccc(Oc3ccc(F)cc3)cc2)n1 ZINC000016182315 211888131 /nfs/dbraw/zinc/88/81/31/211888131.db2.gz JZAPKFZSRSXLHT-UHFFFAOYSA-N 0 0 328.368 4.635 50 0 EJAARN Cc1nc2ccccc2nc1SCC(=O)c1ccc(Cl)s1 ZINC000016265534 211892218 /nfs/dbraw/zinc/89/22/18/211892218.db2.gz ICDLHGLIPOHOFW-UHFFFAOYSA-N 0 0 334.853 4.628 50 0 EJAARN CCOC(=O)Nc1cccc(NC(=O)C(C)(C)c2cccs2)c1C ZINC000079357405 217214671 /nfs/dbraw/zinc/21/46/71/217214671.db2.gz YIAJYHCVYAVEAR-UHFFFAOYSA-N 0 0 346.452 4.541 50 0 EJAARN O=c1[nH]n(C2CCCCC2)c2c1[C@H](c1ccsc1)SCC(=O)N2 ZINC000079464440 217228690 /nfs/dbraw/zinc/22/86/90/217228690.db2.gz XRZVLBACNFAHSW-AWEZNQCLSA-N 0 0 349.481 4.580 50 0 EJAARN O=C(NCCc1ccccc1)N1CCCCC[C@@H]1c1cccs1 ZINC000015867125 211866342 /nfs/dbraw/zinc/86/63/42/211866342.db2.gz DLRKUUDNJOSLCQ-QGZVFWFLSA-N 0 0 328.481 4.618 50 0 EJAARN Cc1ccc2cccc(NC(=O)c3ccccc3Br)c2n1 ZINC000015835219 211857188 /nfs/dbraw/zinc/85/71/88/211857188.db2.gz HXGVDHSKVHAVGT-UHFFFAOYSA-N 0 0 341.208 4.558 50 0 EJAARN CCc1ccccc1NC(=O)C1=Cc2cc(Cl)ccc2OC=C1 ZINC000015838542 211858779 /nfs/dbraw/zinc/85/87/79/211858779.db2.gz YSBGTHHHIQJAIQ-UHFFFAOYSA-N 0 0 325.795 4.831 50 0 EJAARN CCOc1ccccc1NC(=O)Nc1nc2c(s1)CCCCCC2 ZINC000015784683 211852736 /nfs/dbraw/zinc/85/27/36/211852736.db2.gz XIUIKJAUCVVDPZ-UHFFFAOYSA-N 0 0 345.468 4.845 50 0 EJAARN C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4ccc(F)cc4F)cc3c2C1 ZINC000015564144 211829961 /nfs/dbraw/zinc/82/99/61/211829961.db2.gz BWRSCSXMOFIMKD-LLVKDONJSA-N 0 0 340.373 4.823 50 0 EJAARN O=C(/C=C/c1ccccc1)Nc1cc(Cl)ccc1Br ZINC000132383297 205323789 /nfs/dbraw/zinc/32/37/89/205323789.db2.gz RUIJPFQMMFRZMP-RMKNXTFCSA-N 0 0 336.616 4.754 50 0 EJAARN Cc1ccc(-c2csc3ncnc(NCc4ccncc4)c23)cc1 ZINC000080345525 217298833 /nfs/dbraw/zinc/29/88/33/217298833.db2.gz MJNZVUWTNBCDHA-UHFFFAOYSA-N 0 0 332.432 4.674 50 0 EJAARN Cc1cccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c1C ZINC000015318660 211814671 /nfs/dbraw/zinc/81/46/71/211814671.db2.gz ZQQWSKVZZFDXET-UHFFFAOYSA-N 0 0 339.366 4.867 50 0 EJAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(Cl)cc3F)cc2)n1 ZINC000015077631 211800482 /nfs/dbraw/zinc/80/04/82/211800482.db2.gz PDTQEMCCWZFKQR-UHFFFAOYSA-N 0 0 343.789 4.534 50 0 EJAARN Cc1c(Cl)cccc1NC(=O)COc1ccc2ccccc2c1 ZINC000000493251 205468610 /nfs/dbraw/zinc/46/86/10/205468610.db2.gz SLUGVCXNGDATJA-UHFFFAOYSA-N 0 0 325.795 4.819 50 0 EJAARN Cc1nc(/C=C/C(=O)Nc2ccccc2-c2cccs2)cs1 ZINC000014801077 211765734 /nfs/dbraw/zinc/76/57/34/211765734.db2.gz UICAFKHQIMOARY-CMDGGOBGSA-N 0 0 326.446 4.832 50 0 EJAARN CC(=O)c1ccc(C(=O)Nc2nc3c(cc(Cl)cc3C)s2)cc1 ZINC000004330992 205704264 /nfs/dbraw/zinc/70/42/64/205704264.db2.gz UXUCWANXYCSELY-UHFFFAOYSA-N 0 0 344.823 4.713 50 0 EJAARN CCc1cccc(CC)c1Nc1nnc(SC[C@@H]2CCCO2)s1 ZINC000014676404 211751909 /nfs/dbraw/zinc/75/19/09/211751909.db2.gz HRRODCJOWHVOOV-AWEZNQCLSA-N 0 0 349.525 4.678 50 0 EJAARN Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2SC(F)F)cc1 ZINC000014603160 211746454 /nfs/dbraw/zinc/74/64/54/211746454.db2.gz RKQIFZMCRDMGFZ-GFCCVEGCSA-N 0 0 337.391 4.716 50 0 EJAARN O=C(N[C@H]1CCSc2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000005176810 205756565 /nfs/dbraw/zinc/75/65/65/205756565.db2.gz PYONYXGRJGFXON-AWEZNQCLSA-N 0 0 337.366 4.672 50 0 EJAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000014576017 211745564 /nfs/dbraw/zinc/74/55/64/211745564.db2.gz OZNCAXJIURFOSQ-QGZVFWFLSA-N 0 0 338.432 4.606 50 0 EJAARN Cc1ccc(CC(=O)Nc2nc(-c3cccs3)cs2)c(C)c1 ZINC000005267972 205765048 /nfs/dbraw/zinc/76/50/48/205765048.db2.gz MJGRCRUYJKNUFA-UHFFFAOYSA-N 0 0 328.462 4.670 50 0 EJAARN O=C(CSCc1ccc(Cl)cc1)NC12CC3CC(CC(C3)C1)C2 ZINC000005412945 205775741 /nfs/dbraw/zinc/77/57/41/205775741.db2.gz UGDGZPJGULUZLN-UHFFFAOYSA-N 0 0 349.927 4.658 50 0 EJAARN CC(C)(C)SCCCC(=O)Nc1nnc(-c2ccsc2)s1 ZINC000156484410 206080487 /nfs/dbraw/zinc/08/04/87/206080487.db2.gz NEXZBAXRIYWKEF-UHFFFAOYSA-N 0 0 341.527 4.517 50 0 EJAARN Cc1c2cc(Cl)ccc2oc1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000014160393 211697206 /nfs/dbraw/zinc/69/72/06/211697206.db2.gz CZWDHOSPPTUFQM-OAHLLOKOSA-N 0 0 341.794 4.648 50 0 EJAARN Cc1cc(C(=O)Nc2ccc(-c3nccs3)cc2)c2ccccc2n1 ZINC000014109879 211684654 /nfs/dbraw/zinc/68/46/54/211684654.db2.gz KWEJIRCCRHODJT-UHFFFAOYSA-N 0 0 345.427 4.919 50 0 EJAARN c1csc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)c1 ZINC000000191653 206209356 /nfs/dbraw/zinc/20/93/56/206209356.db2.gz GOWACXPZKVVISS-XLIONFOSSA-N 0 0 332.428 4.990 50 0 EJAARN CC(C)c1ccc(CNC(=O)c2ccc(Br)cc2)cc1 ZINC000000036038 206211062 /nfs/dbraw/zinc/21/10/62/206211062.db2.gz XXTAQMUCAYJDSK-UHFFFAOYSA-N 0 0 332.241 4.503 50 0 EJAARN O=C(Nc1ccccc1-c1ccccc1)N[C@H]1CCOc2ccccc21 ZINC000084562829 217616082 /nfs/dbraw/zinc/61/60/82/217616082.db2.gz NGDGFOFXGHQJQP-FQEVSTJZSA-N 0 0 344.414 4.999 50 0 EJAARN CCSc1ccc(C(=O)Nc2cc(C)nn2-c2ccccc2)cc1 ZINC000013701208 211615250 /nfs/dbraw/zinc/61/52/50/211615250.db2.gz VRPLVYHGOXBGRB-UHFFFAOYSA-N 0 0 337.448 4.545 50 0 EJAARN Cc1ccccc1NC(=S)NCCSc1ccc(Cl)cc1 ZINC000013543858 211575990 /nfs/dbraw/zinc/57/59/90/211575990.db2.gz JDWJAJQDBOFSCS-UHFFFAOYSA-N 0 0 336.913 4.727 50 0 EJAARN Brc1ccc(-c2csc(Nc3ccccn3)n2)cc1 ZINC000013284473 211541611 /nfs/dbraw/zinc/54/16/11/211541611.db2.gz JNJFYDMHQUSEAD-UHFFFAOYSA-N 0 0 332.226 4.711 50 0 EJAARN O=C1Nc2cc(Cl)ccc2C1=CNc1ccc(Br)cc1 ZINC000013150301 211530346 /nfs/dbraw/zinc/53/03/46/211530346.db2.gz WSTGLOBAEKRUBQ-MDWZMJQESA-N 0 0 349.615 4.508 50 0 EJAARN CCOc1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1 ZINC000013002192 211507492 /nfs/dbraw/zinc/50/74/92/211507492.db2.gz JQSKEFNKHMTAGM-UHFFFAOYSA-N 0 0 330.434 4.523 50 0 EJAARN C[C@H](NC(=O)c1cc2ccccc2o1)c1ccc(OC(F)F)cc1 ZINC000012998936 211506238 /nfs/dbraw/zinc/50/62/38/211506238.db2.gz KRTCBKVIFCEMSH-NSHDSACASA-N 0 0 331.318 4.525 50 0 EJAARN Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(C)cc3C)c12 ZINC000012998884 211504863 /nfs/dbraw/zinc/50/48/63/211504863.db2.gz CXHGXYZTSZPKCY-UHFFFAOYSA-N 0 0 347.374 4.660 50 0 EJAARN CC[C@H]1c2ccsc2CCN1C(=O)/C=C/c1cc(C)ccc1OC ZINC000012988066 211501919 /nfs/dbraw/zinc/50/19/19/211501919.db2.gz VUFAODVXAHLLHA-JKNJVXJCSA-N 0 0 341.476 4.614 50 0 EJAARN Cc1nc(-c2ccsc2)sc1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000012974220 211495769 /nfs/dbraw/zinc/49/57/69/211495769.db2.gz KYEQIYGXGBYEKD-SNVBAGLBSA-N 0 0 346.452 4.810 50 0 EJAARN C[C@H](CC(=O)N1CCCC[C@H](C)C1)c1ccccc1C(F)(F)F ZINC000170598798 206583157 /nfs/dbraw/zinc/58/31/57/206583157.db2.gz YUEYDLABPLJROX-UONOGXRCSA-N 0 0 327.390 4.848 50 0 EJAARN O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cc(Cl)ccc1F ZINC000012947476 211491908 /nfs/dbraw/zinc/49/19/08/211491908.db2.gz XGHWKTIFWOTFSF-CQSZACIVSA-N 0 0 339.794 4.585 50 0 EJAARN Cc1cc(Cl)ccc1NC(=O)CCC(=O)c1ccc2c(c1)CCC2 ZINC000012890724 211475999 /nfs/dbraw/zinc/47/59/99/211475999.db2.gz DNLAYVGRVSYPTO-UHFFFAOYSA-N 0 0 341.838 4.739 50 0 EJAARN Cc1nc(COc2cccc(C(=O)Nc3cccc(C)c3)c2)cs1 ZINC000012853234 211470149 /nfs/dbraw/zinc/47/01/49/211470149.db2.gz KYEVYEIAFBXWBI-UHFFFAOYSA-N 0 0 338.432 4.591 50 0 EJAARN Cc1ccc(OCc2nc(C(=O)Nc3ccccc3C)cs2)cc1 ZINC000012808838 211463132 /nfs/dbraw/zinc/46/31/32/211463132.db2.gz IYDXPZGPNAZPJR-UHFFFAOYSA-N 0 0 338.432 4.591 50 0 EJAARN CCOc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc1 ZINC000012806998 211461825 /nfs/dbraw/zinc/46/18/25/211461825.db2.gz RJRCSUFUCPCXKC-AWEZNQCLSA-N 0 0 348.446 4.944 50 0 EJAARN Cc1cccc(OCC(=O)Nc2ccccc2SC(F)F)c1C ZINC000012747622 211444158 /nfs/dbraw/zinc/44/41/58/211444158.db2.gz VHTWIIDXBAGATE-UHFFFAOYSA-N 0 0 337.391 4.636 50 0 EJAARN COc1ccc(-c2c/c(=N\c3ccccc3N)c3ccccc3o2)cc1 ZINC000012661624 211430883 /nfs/dbraw/zinc/43/08/83/211430883.db2.gz DHZNERRNMJNDLT-HIXSDJFHSA-N 0 0 342.398 4.923 50 0 biogenic EJAARN Cc1c2cc(C)ccc2oc1C(=O)N(C)Cc1cccc2cnccc21 ZINC000012588739 211417282 /nfs/dbraw/zinc/41/72/82/211417282.db2.gz VCSKJSYTSLFCDS-UHFFFAOYSA-N 0 0 344.414 4.870 50 0 EJAARN O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccc(F)cc1Cl ZINC000012606944 211422539 /nfs/dbraw/zinc/42/25/39/211422539.db2.gz FYDWTHHJSIMLNR-UHFFFAOYSA-N 0 0 331.696 4.679 50 0 EJAARN C[C@@H](c1ccco1)N(C(=O)/C=C/c1cccc(F)c1)c1ccccn1 ZINC000012526728 211399292 /nfs/dbraw/zinc/39/92/92/211399292.db2.gz JICPCPSIZNONQN-NKSUMMKUSA-N 0 0 336.366 4.621 50 0 EJAARN CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc2ncccc2c1 ZINC000012528160 211398977 /nfs/dbraw/zinc/39/89/77/211398977.db2.gz TWZFHYSLPMQESF-FQEVSTJZSA-N 0 0 349.821 4.586 50 0 EJAARN Cc1c(CCc2ccccn2)n2ccccc2c1C(=O)c1ccccc1 ZINC000012511466 211394520 /nfs/dbraw/zinc/39/45/20/211394520.db2.gz RICWGIYHIOZHHB-UHFFFAOYSA-N 0 0 340.426 4.659 50 0 EJAARN Cc1ccc(NC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc1 ZINC000012511461 211394396 /nfs/dbraw/zinc/39/43/96/211394396.db2.gz BVSFQFCVWGWGHH-UHFFFAOYSA-N 0 0 340.467 4.943 50 0 EJAARN CC(C)(C)NC(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 ZINC000012381472 211361524 /nfs/dbraw/zinc/36/15/24/211361524.db2.gz BFAIRRDFLNUVKU-UHFFFAOYSA-N 0 0 345.830 4.512 50 0 EJAARN O=C1C[C@H](c2cccc(OCc3ccccc3)c2)c2sccc2N1 ZINC000012376559 211360735 /nfs/dbraw/zinc/36/07/35/211360735.db2.gz XJQZOYYOGIKBEM-QGZVFWFLSA-N 0 0 335.428 4.801 50 0 EJAARN O=C1C[C@H](c2ccccc2OCCc2ccccc2)c2sccc2N1 ZINC000012376339 211360478 /nfs/dbraw/zinc/36/04/78/211360478.db2.gz BFOBRGMBDZIJQT-QGZVFWFLSA-N 0 0 349.455 4.844 50 0 EJAARN O=C1C[C@@H](c2ccccc2OCCc2ccccc2)c2sccc2N1 ZINC000012376338 211360363 /nfs/dbraw/zinc/36/03/63/211360363.db2.gz BFOBRGMBDZIJQT-KRWDZBQOSA-N 0 0 349.455 4.844 50 0 EJAARN CN(C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1ccccc1 ZINC000012404239 211369781 /nfs/dbraw/zinc/36/97/81/211369781.db2.gz NONGMZSCMZDCRP-UHFFFAOYSA-N 0 0 345.402 4.607 50 0 EJAARN COc1ccccc1[C@H]1CCCN1Cc1nc(-c2ccoc2)oc1C ZINC000012385987 211364381 /nfs/dbraw/zinc/36/43/81/211364381.db2.gz RUKWJBOGWZUHSC-GOSISDBHSA-N 0 0 338.407 4.589 50 0 EJAARN COc1ccc(/C=C2\C(=O)Nc3ccccc32)cc1OC1CCCC1 ZINC000012340468 211352991 /nfs/dbraw/zinc/35/29/91/211352991.db2.gz NDKLKNVQHMLSPP-ATVHPVEESA-N 0 0 335.403 4.509 50 0 EJAARN COc1ccc([C@H]2CC(=O)Nc3ccsc32)cc1OC1CCCC1 ZINC000012371386 211357417 /nfs/dbraw/zinc/35/74/17/211357417.db2.gz MZSMVINWTKTLRB-CQSZACIVSA-N 0 0 343.448 4.552 50 0 EJAARN Cc1nc(NCc2ccco2)sc1-c1ccn(-c2ccccc2)n1 ZINC000012244745 211330157 /nfs/dbraw/zinc/33/01/57/211330157.db2.gz GSUUTKNCJNBONA-UHFFFAOYSA-N 0 0 336.420 4.509 50 0 EJAARN CC[C@H](C)C(=O)NC[C@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1 ZINC000012167253 211310690 /nfs/dbraw/zinc/31/06/90/211310690.db2.gz AORAYQMWUXTWIH-XHDPSFHLSA-N 0 0 349.883 4.534 50 0 EJAARN Cc1ccc(-c2nc(CN3CCC[C@H]3c3nccs3)c(C)o2)s1 ZINC000012209612 211321798 /nfs/dbraw/zinc/32/17/98/211321798.db2.gz NSRLQNJAIVHQKW-AWEZNQCLSA-N 0 0 345.493 4.814 50 0 EJAARN C[C@@H](Cc1cc(C(=O)NCCC2=CCCCC2)on1)c1ccccc1 ZINC000012149630 211307563 /nfs/dbraw/zinc/30/75/63/211307563.db2.gz KWOSSZNQAJFDMA-INIZCTEOSA-N 0 0 338.451 4.641 50 0 EJAARN O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Cl)cc1F ZINC000012059087 211284900 /nfs/dbraw/zinc/28/49/00/211284900.db2.gz FLRIAKQAMXAMJY-UHFFFAOYSA-N 0 0 340.785 4.717 50 0 EJAARN CC(C)c1nc2cc(C(=O)N3CCC[C@@H](c4ccccc4)C3)ccc2o1 ZINC000012051632 211282392 /nfs/dbraw/zinc/28/23/92/211282392.db2.gz VIAISCBCSBZGMP-GOSISDBHSA-N 0 0 348.446 4.971 50 0 EJAARN CC[C@@H]1c2cccn2CCN1Cc1nc(-c2cccc(C)c2)oc1C ZINC000012004500 211278992 /nfs/dbraw/zinc/27/89/92/211278992.db2.gz MHMMDCQSDWQJCB-LJQANCHMSA-N 0 0 335.451 4.727 50 0 EJAARN Cc1cccc(C)c1NC(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000011915700 211268660 /nfs/dbraw/zinc/26/86/60/211268660.db2.gz LXIKEKVQCJQGNQ-UHFFFAOYSA-N 0 0 326.783 4.864 50 0 EJAARN CCOc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)no2)cc1 ZINC000011915171 211268427 /nfs/dbraw/zinc/26/84/27/211268427.db2.gz DHHGDVYUVQJLJL-UHFFFAOYSA-N 0 0 342.782 4.646 50 0 EJAARN Cc1ccc(OC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1C ZINC000011914865 211268366 /nfs/dbraw/zinc/26/83/66/211268366.db2.gz PXZRLPULCYZVLM-UHFFFAOYSA-N 0 0 327.767 4.831 50 0 EJAARN O=C(Nc1ccccc1)c1csc(Oc2cccc(Cl)c2)n1 ZINC000091695804 218050099 /nfs/dbraw/zinc/05/00/99/218050099.db2.gz MIJXHMXPMYVYKZ-UHFFFAOYSA-N 0 0 330.796 4.841 50 0 EJAARN O=C(Nc1nc2ncccc2cc1-c1ccccc1)c1ccccc1 ZINC000011695919 211238794 /nfs/dbraw/zinc/23/87/94/211238794.db2.gz IQIAMTBGACTCEM-UHFFFAOYSA-N 0 0 325.371 4.549 50 0 EJAARN Cc1c(Cl)cccc1NC(=O)Cc1cc(-c2ccc(F)cc2)on1 ZINC000011693151 211236865 /nfs/dbraw/zinc/23/68/65/211236865.db2.gz GJZSWLFESJAPRI-UHFFFAOYSA-N 0 0 344.773 4.624 50 0 EJAARN COc1cccc(NC(=O)N[C@H](c2cccs2)c2ccccc2)c1 ZINC000011553553 211222281 /nfs/dbraw/zinc/22/22/81/211222281.db2.gz AJJLACRZMCHJAQ-SFHVURJKSA-N 0 0 338.432 4.668 50 0 EJAARN CCC[C@@H](O)c1nc2ccccc2n1CCOc1ccc(Cl)cc1 ZINC000011692486 211235763 /nfs/dbraw/zinc/23/57/63/211235763.db2.gz DYWUHNDQYUOFJV-GOSISDBHSA-N 0 0 344.842 4.602 50 0 EJAARN O=C(Nc1ccccc1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000011692882 211234935 /nfs/dbraw/zinc/23/49/35/211234935.db2.gz UPGHIKIDTQLIQZ-UHFFFAOYSA-N 0 0 325.371 4.549 50 0 EJAARN COc1ccc(NC(=O)CCc2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000011689987 211233878 /nfs/dbraw/zinc/23/38/78/211233878.db2.gz MCOPZKZCQWNHRE-UHFFFAOYSA-N 0 0 339.366 4.666 50 0 EJAARN CCOc1ccccc1NC(=O)CCc1ccc(-c2ccccc2)o1 ZINC000011689907 211233204 /nfs/dbraw/zinc/23/32/04/211233204.db2.gz FURKZTVPHLEKQQ-UHFFFAOYSA-N 0 0 335.403 4.917 50 0 EJAARN Cc1[nH]c2c(cccc2C(=O)N2CCC[C@H](Nc3ccccc3)C2)c1C ZINC000011666526 211231422 /nfs/dbraw/zinc/23/14/22/211231422.db2.gz ACOYPMDQNLHHSR-SFHVURJKSA-N 0 0 347.462 4.501 50 0 EJAARN Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1CC[C@@H]1c1ccc(F)cc1 ZINC000091779464 218064966 /nfs/dbraw/zinc/06/49/66/218064966.db2.gz XCDXDCYZIAVOIN-GOSISDBHSA-N 0 0 336.410 4.819 50 0 EJAARN Cc1ccc([C@@H](NC(=O)c2ccccc2Br)C2CC2)cc1 ZINC000011233890 211209202 /nfs/dbraw/zinc/20/92/02/211209202.db2.gz GDZQKDLYZDNCPB-QGZVFWFLSA-N 0 0 344.252 4.639 50 0 EJAARN Cc1c2ccc(C)cc2oc1C(=O)N1CCCC[C@H]1c1cccnc1 ZINC000091973714 218097439 /nfs/dbraw/zinc/09/74/39/218097439.db2.gz OWGIKWQEKUPYCW-SFHVURJKSA-N 0 0 334.419 4.812 50 0 EJAARN COc1cc(Cl)c(NC(=O)c2cc3ccccc3s2)cc1OC ZINC000011066627 211202293 /nfs/dbraw/zinc/20/22/93/211202293.db2.gz IBHKEJNCOYAECE-UHFFFAOYSA-N 0 0 347.823 4.824 50 0 EJAARN CCCc1nc(C(=O)N2CCCC[C@H]2c2cccc(F)c2)cs1 ZINC000092002586 218101938 /nfs/dbraw/zinc/10/19/38/218101938.db2.gz NGDANPBULYGXSR-INIZCTEOSA-N 0 0 332.444 4.602 50 0 EJAARN O=C(/C=C/c1cc(Cl)cc(Cl)c1)N1CCc2sccc2C1 ZINC000010924585 211196538 /nfs/dbraw/zinc/19/65/38/211196538.db2.gz LZSPITVPSFSDFI-OWOJBTEDSA-N 0 0 338.259 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CC(C)(O)c1ccc(OCc2cc(-c3ccc(Cl)cc3)no2)cc1 ZINC000095454287 218398550 /nfs/dbraw/zinc/39/85/50/218398550.db2.gz MZDHFQQCZNHJIL-UHFFFAOYSA-N 0 0 343.810 4.801 50 0 EJAARN COc1ccc(C)cc1NC(=O)c1cc(C(C)C)nc2ccccc21 ZINC000008193669 210911766 /nfs/dbraw/zinc/91/17/66/210911766.db2.gz ALOWEVHWSXGNCD-UHFFFAOYSA-N 0 0 334.419 4.928 50 0 EJAARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC)cc2)N3)C1 ZINC000008197240 210911816 /nfs/dbraw/zinc/91/18/16/210911816.db2.gz NWAOKCROQCMFIR-DIFFPNOSSA-N 0 0 342.464 4.701 50 0 EJAARN Cc1ccc([C@H]2Nc3ccccc3C(=O)N2[C@H](C)c2ccccc2)o1 ZINC000008160188 210905345 /nfs/dbraw/zinc/90/53/45/210905345.db2.gz NPBZZUSYPKCCOE-QRWLVFNGSA-N 0 0 332.403 4.916 50 0 EJAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cc2ccccc2o1 ZINC000008131054 210898561 /nfs/dbraw/zinc/89/85/61/210898561.db2.gz ALRTZCIDBAFBBY-LBPRGKRZSA-N 0 0 336.416 4.876 50 0 EJAARN Cc1ccc(Cn2nccc2NC(=O)c2ccc3ccccc3c2)cc1 ZINC000008116269 210895889 /nfs/dbraw/zinc/89/58/89/210895889.db2.gz MROSBQBDOBJNTB-UHFFFAOYSA-N 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CCC[C@H]1Oc2ccc(OCC)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000006045656 210581149 /nfs/dbraw/zinc/58/11/49/210581149.db2.gz XMSMRPZYNCKPPS-PZJWPPBQSA-N 0 0 336.435 4.755 50 0 EJAARN C[C@H](NC(=O)c1cc(Cl)ccc1F)c1cccc(C(F)(F)F)c1 ZINC000012698477 207185659 /nfs/dbraw/zinc/18/56/59/207185659.db2.gz XOSKWJMVRSKZCR-VIFPVBQESA-N 0 0 345.723 4.989 50 0 EJAARN C[C@@H]1CN(C(=O)c2cnc(-c3ccco3)s2)c2ccccc2S1 ZINC000176136155 207194253 /nfs/dbraw/zinc/19/42/53/207194253.db2.gz NVAOKDUFYUJRNW-LLVKDONJSA-N 0 0 342.445 4.544 50 0 EJAARN CN(Cc1ccc(F)cc1)C(=O)c1ccc(COc2ccccc2)cc1 ZINC000012768171 207245618 /nfs/dbraw/zinc/24/56/18/207245618.db2.gz SLVVMWNOJBGSRK-UHFFFAOYSA-N 0 0 349.405 4.677 50 0 EJAARN COc1ccc(C(=O)Nc2cccc(Oc3ccccc3)c2)c(OC)c1 ZINC000012764615 207245718 /nfs/dbraw/zinc/24/57/18/207245718.db2.gz HEAXLKHYYMTDJU-UHFFFAOYSA-N 0 0 349.386 4.748 50 0 EJAARN CCn1c(S[C@@H]2CCCCCC2=O)nnc1-c1ccc(Cl)cc1 ZINC000012867297 207253331 /nfs/dbraw/zinc/25/33/31/207253331.db2.gz KUTNOZVXXCYWFH-OAHLLOKOSA-N 0 0 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COc1ccc(Nc2cc(C)nc3c(-c4ccccc4)c(C)nn32)cc1 ZINC000005516297 563536171 /nfs/dbraw/zinc/53/61/71/563536171.db2.gz CQXXITRXJQLHHA-UHFFFAOYSA-N 0 0 344.418 4.765 50 0 EJAARN Cc1nn2c(nc(C(C)(C)C)cc2N2CCCCC2)c1-c1ccccc1 ZINC000005518212 563536506 /nfs/dbraw/zinc/53/65/06/563536506.db2.gz PIYWFFYOTSWIGL-UHFFFAOYSA-N 0 0 348.494 4.993 50 0 EJAARN Cc1nn2c(nc(C)cc2NCCc2ccccc2)c1-c1ccccc1 ZINC000005557485 563539639 /nfs/dbraw/zinc/53/96/39/563539639.db2.gz OKEPNTVSCUCOGW-UHFFFAOYSA-N 0 0 342.446 4.668 50 0 EJAARN COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)cc1 ZINC000005670632 563544855 /nfs/dbraw/zinc/54/48/55/563544855.db2.gz LLWSLPLDHNDQAO-RXVVDRJESA-N 0 0 346.386 4.531 50 0 EJAARN CCC(C)(C)[C@@H]1CCc2c(sc(N)c2C(=O)NC2CCCC2)C1 ZINC000005916755 563554368 /nfs/dbraw/zinc/55/43/68/563554368.db2.gz UDSQYMLQUNFHMV-GFCCVEGCSA-N 0 0 334.529 4.544 50 0 EJAARN CC[C@H]([NH2+]Cc1cccc(COC2CCOCC2)c1)c1ccccc1 ZINC000071902731 563555850 /nfs/dbraw/zinc/55/58/50/563555850.db2.gz 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563654211 /nfs/dbraw/zinc/65/42/11/563654211.db2.gz OEKFGJXOOUDYJY-UHFFFAOYSA-N 0 0 338.451 4.544 50 0 EJAARN COc1ccccc1-c1nnc(SCc2cccc(Cl)c2)o1 ZINC000012177391 563654997 /nfs/dbraw/zinc/65/49/97/563654997.db2.gz IKWLCJJZOMHNQQ-UHFFFAOYSA-N 0 0 332.812 4.691 50 0 EJAARN Cc1ccc2cccc(OC(=O)c3ccccc3Br)c2n1 ZINC000012542435 563662212 /nfs/dbraw/zinc/66/22/12/563662212.db2.gz XMEXRWRAWPLEKA-UHFFFAOYSA-N 0 0 342.192 4.525 50 0 EJAARN Cc1cc(C)cc(NC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)c1 ZINC000012636119 563666527 /nfs/dbraw/zinc/66/65/27/563666527.db2.gz KGFGYZLLSJCSTM-UHFFFAOYSA-N 0 0 341.411 4.543 50 0 EJAARN Cc1ccc(-c2noc(-c3ccc(NC(=O)CC(C)C)cc3)n2)cc1 ZINC000032623031 563669830 /nfs/dbraw/zinc/66/98/30/563669830.db2.gz SOZGQHAEKMUSLV-UHFFFAOYSA-N 0 0 335.407 4.697 50 0 EJAARN O=C(Cc1coc2cc3c(cc12)CCC3)Nc1cccc2cnccc21 ZINC000012790924 563671589 /nfs/dbraw/zinc/67/15/89/563671589.db2.gz PXKKDOFUABRVST-UHFFFAOYSA-N 0 0 342.398 4.651 50 0 EJAARN Cc1ccc(F)c(NC(=O)Cc2csc(-c3ccsc3)n2)c1 ZINC000012794362 563672262 /nfs/dbraw/zinc/67/22/62/563672262.db2.gz ZUWOEWJLNLIJIQ-UHFFFAOYSA-N 0 0 332.425 4.500 50 0 EJAARN COc1ccc2oc(-c3ccc(NC(=O)c4ccccc4)cc3)nc2c1 ZINC000012843638 563675610 /nfs/dbraw/zinc/67/56/10/563675610.db2.gz MFYZSPCKLJFUIP-UHFFFAOYSA-N 0 0 344.370 4.756 50 0 EJAARN Cc1c2cc(Br)ccc2oc1C(=O)N(C)c1ccccc1 ZINC000012940485 563677862 /nfs/dbraw/zinc/67/78/62/563677862.db2.gz LIBBJLCIBYIFPY-UHFFFAOYSA-N 0 0 344.208 4.780 50 0 EJAARN COc1ccc(C)cc1NC(=O)c1ccc(-c2ccccc2)nc1C ZINC000012971751 563679195 /nfs/dbraw/zinc/67/91/95/563679195.db2.gz YUJDPDBZKJYZAC-UHFFFAOYSA-N 0 0 332.403 4.626 50 0 EJAARN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)N[C@@H](C)c1cccc(F)c1 ZINC000012973212 563679813 /nfs/dbraw/zinc/67/98/13/563679813.db2.gz DVHNTYIJZIKEOK-QWHCGFSZSA-N 0 0 334.822 4.943 50 0 EJAARN CC(C)[C@H](NC(=O)N(C)Cc1ccsc1)c1ccc(Cl)cc1 ZINC000012973249 563679848 /nfs/dbraw/zinc/67/98/48/563679848.db2.gz CASYORICQKFMGC-INIZCTEOSA-N 0 0 336.888 4.940 50 0 EJAARN CC(=O)NCc1ccc(-c2nc(NC3CCCCC3)sc2C)s1 ZINC000012973650 563679859 /nfs/dbraw/zinc/67/98/59/563679859.db2.gz IAAWOGJSJKADCF-UHFFFAOYSA-N 0 0 349.525 4.561 50 0 EJAARN O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccc(F)c(Cl)c1 ZINC000012975345 563680133 /nfs/dbraw/zinc/68/01/33/563680133.db2.gz NROZKEHMTXRODY-UHFFFAOYSA-N 0 0 345.801 4.569 50 0 EJAARN CCOc1ccccc1NC(=O)c1csc(-c2ccsc2)n1 ZINC000012975329 563680176 /nfs/dbraw/zinc/68/01/76/563680176.db2.gz JIBSIRPRAYARHM-UHFFFAOYSA-N 0 0 330.434 4.523 50 0 EJAARN CSC1=NC(C)(C)C=C(C=Cc2ccc(Cl)cc2Cl)N1 ZINC000013125368 563689140 /nfs/dbraw/zinc/68/91/40/563689140.db2.gz UKETVPRKGSRQLQ-FNORWQNLSA-N 0 0 327.280 4.991 50 0 EJAARN Cc1noc(C)c1CSc1nn(-c2cccc(C)c2)c(=S)s1 ZINC000013135348 563690523 /nfs/dbraw/zinc/69/05/23/563690523.db2.gz OCXRVEKPDIMSSN-UHFFFAOYSA-N 0 0 349.506 4.869 50 0 EJAARN CC(C)OCCCNC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000004419119 563694579 /nfs/dbraw/zinc/69/45/79/563694579.db2.gz FITJCVMTCKYURV-UHFFFAOYSA-N 0 0 343.492 4.524 50 0 EJAARN FC(F)(F)c1cccc(NC(=S)NCc2ccc(Cl)cc2)c1 ZINC000013543703 563700805 /nfs/dbraw/zinc/70/08/05/563700805.db2.gz VFAPKOPKAUCZMX-UHFFFAOYSA-N 0 0 344.789 4.845 50 0 EJAARN Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000013710430 563714931 /nfs/dbraw/zinc/71/49/31/563714931.db2.gz OXOULKXTYGDWIR-ZDUSSCGKSA-N 0 0 337.341 4.728 50 0 EJAARN O=C([O-])c1cccc(-c2ccc(C[NH2+]CCC3=CCCCC3)o2)c1 ZINC000013724054 563717611 /nfs/dbraw/zinc/71/76/11/563717611.db2.gz ZACVTDOHMJIUOI-UHFFFAOYSA-N 0 0 325.408 4.625 50 0 EJAARN CCN(Cc1ccncc1)C(=O)c1sc2cccc(F)c2c1Cl ZINC000013737003 563719909 /nfs/dbraw/zinc/71/99/09/563719909.db2.gz RDIZNBNBUSHMEX-UHFFFAOYSA-N 0 0 348.830 4.751 50 0 EJAARN COc1ccc(CN(C(=O)c2cc3ccccc3s2)C2CC2)cc1 ZINC000032740916 563721857 /nfs/dbraw/zinc/72/18/57/563721857.db2.gz FYEFJHAHARZSPW-UHFFFAOYSA-N 0 0 337.444 4.715 50 0 EJAARN COCCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccccc1 ZINC000013774645 563722567 /nfs/dbraw/zinc/72/25/67/563722567.db2.gz YIIXNFPPVSHCNJ-ZZEZOPTASA-N 0 0 344.867 4.749 50 0 EJAARN CN(Cc1coc(-c2cccs2)n1)Cc1c(F)cccc1Cl ZINC000032751418 563724348 /nfs/dbraw/zinc/72/43/48/563724348.db2.gz PABNABGOYSLKEX-UHFFFAOYSA-N 0 0 336.819 4.828 50 0 EJAARN Cc1cccc(Oc2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)c1C ZINC000013857888 563726869 /nfs/dbraw/zinc/72/68/69/563726869.db2.gz FFLMDJMTUUZMJA-RTBURBONSA-N 0 0 347.414 4.551 50 0 EJAARN O=C(c1cc2ccsc2[nH]1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000032754637 563727935 /nfs/dbraw/zinc/72/79/35/563727935.db2.gz SYOYHHLGUHGFAP-UHFFFAOYSA-N 0 0 347.443 4.640 50 0 EJAARN Cc1nnc2sc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nn12 ZINC000013945082 563732469 /nfs/dbraw/zinc/73/24/69/563732469.db2.gz UBIIAFPXFNZZSQ-UHFFFAOYSA-N 0 0 328.485 4.756 50 0 EJAARN Cc1nc2cc(NC(=O)c3cc(C4CC4)nc4ccccc43)ccc2o1 ZINC000014074919 563737707 /nfs/dbraw/zinc/73/77/07/563737707.db2.gz NLTCKBGRRQVPBC-UHFFFAOYSA-N 0 0 343.386 4.814 50 0 EJAARN O=C(Nc1ccc(SC(F)F)cc1)c1cc(=O)[nH]c2ccccc21 ZINC000014122927 563742818 /nfs/dbraw/zinc/74/28/18/563742818.db2.gz UVZOCNZDNDCBGP-UHFFFAOYSA-N 0 0 346.358 4.507 50 0 EJAARN S=C(Nc1ccccc1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000000096756 563743567 /nfs/dbraw/zinc/74/35/67/563743567.db2.gz UCIYYZVCWTXJKJ-FQEVSTJZSA-N 0 0 332.472 4.957 50 0 EJAARN C[C@@H](NCc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1Cl ZINC000032800290 563744114 /nfs/dbraw/zinc/74/41/14/563744114.db2.gz WTYXWFRPEVGRCP-LLVKDONJSA-N 0 0 348.233 4.894 50 0 EJAARN COc1ccc2cc([C@@H](C)C(=O)N[C@@H](C)c3ccccc3)ccc2c1 ZINC000014171739 563747151 /nfs/dbraw/zinc/74/71/51/563747151.db2.gz KAGMPABCTWFXKG-CVEARBPZSA-N 0 0 333.431 4.829 50 0 EJAARN Cc1noc2nc(C3CC3)cc(C(=O)Nc3cccc4ccccc43)c12 ZINC000014179920 563747325 /nfs/dbraw/zinc/74/73/25/563747325.db2.gz YNISSJNFQGZOSU-UHFFFAOYSA-N 0 0 343.386 4.814 50 0 EJAARN O=C(COC(=O)c1cc2cc(F)ccc2s1)c1ccc(Cl)cc1 ZINC000014184241 563748152 /nfs/dbraw/zinc/74/81/52/563748152.db2.gz BJZTXVULWSCGJH-UHFFFAOYSA-N 0 0 348.782 4.734 50 0 EJAARN Cc1cccc(C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)c1 ZINC000014197776 563749664 /nfs/dbraw/zinc/74/96/64/563749664.db2.gz SUTQOEQTCYDDAZ-KRWDZBQOSA-N 0 0 336.460 4.972 50 0 EJAARN Cc1cccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000014197775 563749715 /nfs/dbraw/zinc/74/97/15/563749715.db2.gz SUTQOEQTCYDDAZ-QGZVFWFLSA-N 0 0 336.460 4.972 50 0 EJAARN CN(Cc1ncc(C(C)(C)C)o1)Cc1ccc(Cl)c(Cl)c1 ZINC000032809767 563751941 /nfs/dbraw/zinc/75/19/41/563751941.db2.gz NCCLNCLZDSSNHC-UHFFFAOYSA-N 0 0 327.255 4.911 50 0 EJAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCCSc2ccccc21 ZINC000014229746 563752853 /nfs/dbraw/zinc/75/28/53/563752853.db2.gz IEHXZVNZBJNVFG-CYBMUJFWSA-N 0 0 347.867 4.636 50 0 EJAARN O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccccc1O ZINC000032814962 563753496 /nfs/dbraw/zinc/75/34/96/563753496.db2.gz KWOONRINVVPFIS-UHFFFAOYSA-N 0 0 345.398 4.661 50 0 EJAARN O=C(NC1CC1)c1oc2ccccc2c1CSC1CCCCC1 ZINC000014241100 563754032 /nfs/dbraw/zinc/75/40/32/563754032.db2.gz BNYLTLDSYZSYTO-UHFFFAOYSA-N 0 0 329.465 4.891 50 0 EJAARN O=C(Cc1ccccc1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000014242164 563754364 /nfs/dbraw/zinc/75/43/64/563754364.db2.gz ZROMNJWMGYIBFX-OAQYLSRUSA-N 0 0 335.834 4.788 50 0 EJAARN CCCc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000014256995 563756500 /nfs/dbraw/zinc/75/65/00/563756500.db2.gz NBXSOBWXHYDQJC-UHFFFAOYSA-N 0 0 325.433 4.593 50 0 EJAARN O=C(Nc1ccc(Oc2ccccc2)cc1)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000014493339 563760106 /nfs/dbraw/zinc/76/01/06/563760106.db2.gz RGLVOHYAYQEEIO-SJPCQFCGSA-N 0 0 349.430 4.813 50 0 EJAARN Cc1ccc(SCCNC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1 ZINC000032862338 563765207 /nfs/dbraw/zinc/76/52/07/563765207.db2.gz IOBXOVYRDPSIBJ-HNNXBMFYSA-N 0 0 346.471 4.629 50 0 EJAARN C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000032863180 563765265 /nfs/dbraw/zinc/76/52/65/563765265.db2.gz KINRCRIESHKJAH-SLEUVZQESA-N 0 0 328.378 4.644 50 0 EJAARN Cc1noc(C(C)C)c1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000014934113 563767230 /nfs/dbraw/zinc/76/72/30/563767230.db2.gz JXKSIEFDUWIUDR-UHFFFAOYSA-N 0 0 332.403 4.930 50 0 EJAARN CC1(c2ccccc2NC(=O)c2ccc(Br)cc2)CC1 ZINC000004550717 563767531 /nfs/dbraw/zinc/76/75/31/563767531.db2.gz BCELIFGNQPVMHG-UHFFFAOYSA-N 0 0 330.225 4.753 50 0 EJAARN Oc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1 ZINC000015016867 563772680 /nfs/dbraw/zinc/77/26/80/563772680.db2.gz BOURZNRLAYPTDH-YLJYHZDGSA-N 0 0 348.427 4.696 50 0 EJAARN Cc1nn(-c2ccc(F)cc2)c2c1[C@H](c1cccnc1)SC(C)=N2 ZINC000015085604 563777582 /nfs/dbraw/zinc/77/75/82/563777582.db2.gz HKICSGCWTYQILE-KRWDZBQOSA-N 0 0 338.411 4.601 50 0 EJAARN CCC(=O)N1c2ccc(Cl)cc2[C@@H]2OCC[C@H]2[C@@H]1c1ccco1 ZINC000004555188 563777923 /nfs/dbraw/zinc/77/79/23/563777923.db2.gz DKDKVIPKAZQOEX-JBBXEZCESA-N 0 0 331.799 4.509 50 0 EJAARN CC(C)(C)[C@H]1CCc2c(sc3c2[C@H](c2ccncc2)CC(=O)N3)C1 ZINC000015106913 563778039 /nfs/dbraw/zinc/77/80/39/563778039.db2.gz IGHQMEYQTKCAJX-ZFWWWQNUSA-N 0 0 340.492 4.768 50 0 EJAARN CN(Cc1c(F)cccc1Cl)C(=O)c1sccc1-n1cccc1 ZINC000032895965 563781163 /nfs/dbraw/zinc/78/11/63/563781163.db2.gz 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ZINC000015867146 563798942 /nfs/dbraw/zinc/79/89/42/563798942.db2.gz YTXDUEANWMMRJX-INIZCTEOSA-N 0 0 332.444 4.714 50 0 EJAARN C[C@@H](OC(=O)c1occc1-c1ccccc1)C(=O)c1ccc(F)cc1 ZINC000016537763 563814540 /nfs/dbraw/zinc/81/45/40/563814540.db2.gz MEQYNOVYILMGLY-CYBMUJFWSA-N 0 0 338.334 4.514 50 0 EJAARN COc1ccc2cc([C@H](C)C(=O)Nc3ccc(N(C)C)cc3)ccc2c1 ZINC000016597210 563815321 /nfs/dbraw/zinc/81/53/21/563815321.db2.gz KJMHWLRYIKMZHX-HNNXBMFYSA-N 0 0 348.446 4.657 50 0 EJAARN CCCCC(=O)Nc1nn(CCCC)c2nc3c(C)cccc3cc12 ZINC000016956258 563826801 /nfs/dbraw/zinc/82/68/01/563826801.db2.gz BUCKSDVGYGGDIF-UHFFFAOYSA-N 0 0 338.455 4.822 50 0 EJAARN CC(=O)Nc1ccc(Nc2nc(C)cc(Nc3ccc(C)cc3)n2)cc1 ZINC000017042733 563829735 /nfs/dbraw/zinc/82/97/35/563829735.db2.gz COMUCOMSKHOKCP-UHFFFAOYSA-N 0 0 347.422 4.539 50 0 EJAARN Cc1ccc(CN2C(=S)N=NC2c2csc(C(C)C)c2)cc1 ZINC000017067600 563831665 /nfs/dbraw/zinc/83/16/65/563831665.db2.gz CKPIFXUSKVIUFE-UHFFFAOYSA-N 0 0 329.494 4.775 50 0 EJAARN COc1ccc(Cl)cc1NC(=O)N[C@H]1CCCc2ccccc21 ZINC000017067915 563832073 /nfs/dbraw/zinc/83/20/73/563832073.db2.gz KKRDVLGBILXQHB-HNNXBMFYSA-N 0 0 330.815 4.548 50 0 EJAARN S=C1N=NC(CSCc2ccccc2)N1c1ccccc1Cl ZINC000017072334 563835693 /nfs/dbraw/zinc/83/56/93/563835693.db2.gz ZHLMMSFAXYPAPF-UHFFFAOYSA-N 0 0 347.896 4.643 50 0 EJAARN Cc1ccc(NC(=O)Nc2nnc(-c3ccccc3C)s2)cc1C ZINC000017112968 563836904 /nfs/dbraw/zinc/83/69/04/563836904.db2.gz PFVQOVHKRFBSSF-UHFFFAOYSA-N 0 0 338.436 4.774 50 0 EJAARN CC(=CC(=O)Nc1cccc(C(F)(F)F)c1)NNc1ccccc1 ZINC000000270894 563837607 /nfs/dbraw/zinc/83/76/07/563837607.db2.gz NFDALGFEOASEIH-UUYOSTAYSA-N 0 0 335.329 4.522 50 0 EJAARN COc1ccccc1NC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000032935974 563845018 /nfs/dbraw/zinc/84/50/18/563845018.db2.gz GTPLFDFTNCREEX-LJQANCHMSA-N 0 0 342.414 4.887 50 0 EJAARN Cc1ccc(-c2nnc(NC(=O)Nc3ccc(C)c(C)c3)s2)cc1 ZINC000018105668 563848691 /nfs/dbraw/zinc/84/86/91/563848691.db2.gz SLWFWUODGLTSSD-UHFFFAOYSA-N 0 0 338.436 4.774 50 0 EJAARN COc1ccc([C@H]2CCCN2C(=O)Nc2cccc3cnccc32)cc1 ZINC000043162301 563856592 /nfs/dbraw/zinc/85/65/92/563856592.db2.gz ALQKGPZJVHVPEQ-HXUWFJFHSA-N 0 0 347.418 4.612 50 0 EJAARN O=C(/C=C\c1ccc(Cl)cc1)Nc1ccccc1N1CCCC1 ZINC000005804491 563862950 /nfs/dbraw/zinc/86/29/50/563862950.db2.gz HDZFFDXCKQKAAE-XFXZXTDPSA-N 0 0 326.827 4.592 50 0 EJAARN Cc1ccc(C(=O)c2sc(Nc3cccc(C)c3C)nc2N)cc1 ZINC000032947831 563864754 /nfs/dbraw/zinc/86/47/54/563864754.db2.gz YLRQOYIELNPMIQ-UHFFFAOYSA-N 0 0 337.448 4.625 50 0 EJAARN CC[C@@H](C)c1ccc(NC(=O)c2ccc(Br)o2)c(O)c1 ZINC000005953915 563866481 /nfs/dbraw/zinc/86/64/81/563866481.db2.gz PSFYQHWDFXWPKJ-SECBINFHSA-N 0 0 338.201 4.514 50 0 EJAARN O=S(=O)(Nc1cccc2ccccc21)C1=Cc2ccccc2CC1 ZINC000024067431 563869054 /nfs/dbraw/zinc/86/90/54/563869054.db2.gz GTVFCUFVFLJUDG-UHFFFAOYSA-N 0 0 335.428 4.569 50 0 EJAARN O=C(Nc1cccc(Cl)c1F)NC1CCC(C(F)(F)F)CC1 ZINC000043450246 563872837 /nfs/dbraw/zinc/87/28/37/563872837.db2.gz ZRMWYZYBMAMFIT-UHFFFAOYSA-N 0 0 338.732 4.722 50 0 EJAARN O=C(c1ccc(Cl)cc1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024695156 563874172 /nfs/dbraw/zinc/87/41/72/563874172.db2.gz FQILKIPCERSDDJ-CQSZACIVSA-N 0 0 340.810 4.501 50 0 EJAARN Cc1cc(OCC(=O)N(C)c2ccc(O)cc2)c(C(C)C)cc1Cl ZINC000024752499 563875121 /nfs/dbraw/zinc/87/51/21/563875121.db2.gz MZCUMYMLHWXPPW-UHFFFAOYSA-N 0 0 347.842 4.519 50 0 EJAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)Nc1ccc(C)cc1 ZINC000024975623 563878483 /nfs/dbraw/zinc/87/84/83/563878483.db2.gz VIIHGQLYRICGKK-UHFFFAOYSA-N 0 0 334.423 4.750 50 0 EJAARN O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)c1cc(Cl)ccc1Cl ZINC000025047739 563880284 /nfs/dbraw/zinc/88/02/84/563880284.db2.gz FHHKPKHQHZSQQJ-CMPLNLGQSA-N 0 0 340.172 4.844 50 0 EJAARN Cc1nc(CC(=O)Nc2ccccc2SC2CCCC2)cs1 ZINC000025265323 563882553 /nfs/dbraw/zinc/88/25/53/563882553.db2.gz BBICRROLUCJCSC-UHFFFAOYSA-N 0 0 332.494 4.667 50 0 EJAARN O=C(Nc1nc2ccccc2s1)N1CCC[C@@H]1Cc1ccccc1 ZINC000025314294 563883187 /nfs/dbraw/zinc/88/31/87/563883187.db2.gz NNJWJFBREVGBFB-OAHLLOKOSA-N 0 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/nfs/dbraw/zinc/89/73/76/563897376.db2.gz LUMOIARGDVWZJV-UHFFFAOYSA-N 0 0 337.444 4.912 50 0 EJAARN COc1cccc(N(Cc2cccs2)C(=O)c2cccc(C)c2)c1 ZINC000028287149 563902045 /nfs/dbraw/zinc/90/20/45/563902045.db2.gz ZGNMPUJHGMDPPP-UHFFFAOYSA-N 0 0 337.444 4.912 50 0 EJAARN CC(=O)Nc1sc2nc(-c3ccccc3)cn2c1-c1ccccc1 ZINC000028405727 563902827 /nfs/dbraw/zinc/90/28/27/563902827.db2.gz NROPNICFUNUQRB-UHFFFAOYSA-N 0 0 333.416 4.688 50 0 EJAARN C[C@@]1(C(=O)Nc2ccc(OC3CCCC3)cc2)CC1(Cl)Cl ZINC000029025982 563904827 /nfs/dbraw/zinc/90/48/27/563904827.db2.gz GRGVQIMKYSPIRD-HNNXBMFYSA-N 0 0 328.239 4.530 50 0 EJAARN CN(Cc1nc2ccccc2[nH]1)C(=O)c1sccc1-c1ccccc1 ZINC000028985104 563904931 /nfs/dbraw/zinc/90/49/31/563904931.db2.gz FXTYHQPWKFFQLR-UHFFFAOYSA-N 0 0 347.443 4.564 50 0 EJAARN FC(F)(F)c1ccnc(Nc2ccc(Nc3ccccc3)cc2)n1 ZINC000029361032 563905830 /nfs/dbraw/zinc/90/58/30/563905830.db2.gz DEVXCSSPYDXUJA-UHFFFAOYSA-N 0 0 330.313 4.983 50 0 EJAARN Cc1nc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)sc1C ZINC000029582186 563907473 /nfs/dbraw/zinc/90/74/73/563907473.db2.gz DKGNOCXCABELQK-UHFFFAOYSA-N 0 0 349.868 4.789 50 0 EJAARN O=C(N[C@H](c1ccccc1)c1ccccn1)NC1CCCCCCC1 ZINC000029722792 563908243 /nfs/dbraw/zinc/90/82/43/563908243.db2.gz PVQMYHADQVMWPA-HXUWFJFHSA-N 0 0 337.467 4.583 50 0 EJAARN CC(C)(C)c1ccc(O)c(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)c1 ZINC000029769626 563908508 /nfs/dbraw/zinc/90/85/08/563908508.db2.gz ASCKWMPNEOVZJB-HZPDHXFCSA-N 0 0 327.399 4.571 50 0 EJAARN C[C@H](c1cc2ccccc2o1)N(C)Cc1nnc(-c2ccccc2)o1 ZINC000030005526 563909195 /nfs/dbraw/zinc/90/91/95/563909195.db2.gz PUDNZQAUXMRESW-CQSZACIVSA-N 0 0 333.391 4.676 50 0 EJAARN O=C(c1ccc2ncsc2c1)N(Cc1ccco1)Cc1ccccc1 ZINC000030223818 563909607 /nfs/dbraw/zinc/90/96/07/563909607.db2.gz RDLAEEHQTNIZHZ-UHFFFAOYSA-N 0 0 348.427 4.732 50 0 EJAARN CCn1ccc2ccc(NC(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)cc21 ZINC000072292968 563910394 /nfs/dbraw/zinc/91/03/94/563910394.db2.gz IKGJNXAEGAJXCU-ZIAGYGMSSA-N 0 0 338.373 4.968 50 0 EJAARN CN(C(=O)c1cc(F)c(F)cc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000030836231 563910806 /nfs/dbraw/zinc/91/08/06/563910806.db2.gz WINKZQMTVZPYJD-UHFFFAOYSA-N 0 0 339.813 4.659 50 0 EJAARN O=C(/C=C/c1cccnc1)Nc1cccc(C2SCCCS2)c1 ZINC000030932453 563911748 /nfs/dbraw/zinc/91/17/48/563911748.db2.gz JYMGZSKRZURDSU-BQYQJAHWSA-N 0 0 342.489 4.602 50 0 EJAARN CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(Cc3ccncc3)cc2)C1(C)C ZINC000030955024 563911863 /nfs/dbraw/zinc/91/18/63/563911863.db2.gz DXDKRPIKKVMJBU-WOJBJXKFSA-N 0 0 334.463 4.849 50 0 EJAARN CC(C)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000003093863 563912236 /nfs/dbraw/zinc/91/22/36/563912236.db2.gz ORXBNMIKTYQHFM-UHFFFAOYSA-N 0 0 325.433 4.764 50 0 EJAARN CCC[C@@]1(C)CCCN(C(=O)c2csc(-c3ccccc3F)n2)C1 ZINC000072303834 563914289 /nfs/dbraw/zinc/91/42/89/563914289.db2.gz QCALUJCHFGFQCO-IBGZPJMESA-N 0 0 346.471 4.992 50 0 EJAARN CCc1onc(C)c1[C@H]1CCCN1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000033270606 563915650 /nfs/dbraw/zinc/91/56/50/563915650.db2.gz NNTZELNVDSZFEO-OAHLLOKOSA-N 0 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BVTYZVCHHXAVCR-UHFFFAOYSA-N 0 0 341.838 4.883 50 0 EJAARN COc1ccc(CCNc2cc(C)c3ccc(Cl)cc3n2)cc1 ZINC000023634856 563919429 /nfs/dbraw/zinc/91/94/29/563919429.db2.gz XZBRKUDPDVIFFX-UHFFFAOYSA-N 0 0 326.827 4.860 50 0 EJAARN C(=C/c1nc(-c2ccc(N3CCCCC3)cc2)no1)\c1cccs1 ZINC000032975260 563920429 /nfs/dbraw/zinc/92/04/29/563920429.db2.gz PEAQXPLSJLCRRB-ZHACJKMWSA-N 0 0 337.448 4.959 50 0 EJAARN CC(C)c1ccc(CCNC(=O)Cc2c(F)cccc2Cl)cc1 ZINC000032983080 563920585 /nfs/dbraw/zinc/92/05/85/563920585.db2.gz AJJWBBUYBFDQGG-UHFFFAOYSA-N 0 0 333.834 4.504 50 0 EJAARN CCCCc1ccc(N2C(=O)CC(c3ccc(C)cc3)CC2=O)cc1 ZINC000032985386 563920697 /nfs/dbraw/zinc/92/06/97/563920697.db2.gz PBXCFCHETVLJPX-UHFFFAOYSA-N 0 0 335.447 4.775 50 0 EJAARN CCCCNC(=O)c1ccc2nc(-c3ccc(C)cc3)cc(OC)c2c1 ZINC000032986777 563920709 /nfs/dbraw/zinc/92/07/09/563920709.db2.gz QDIWIHUHGLPOIS-UHFFFAOYSA-N 0 0 348.446 4.749 50 0 EJAARN CC[C@H](C)NC(=O)c1ccc2nc(-c3ccc(C)cc3)cc(OC)c2c1 ZINC000032986787 563920766 /nfs/dbraw/zinc/92/07/66/563920766.db2.gz YRLKGQOGXZDUEO-HNNXBMFYSA-N 0 0 348.446 4.747 50 0 EJAARN O=C(Cc1c(F)cccc1Cl)NCCC12CC3CC(CC(C3)C1)C2 ZINC000032994579 563920925 /nfs/dbraw/zinc/92/09/25/563920925.db2.gz RPOXLCDLYFWODL-UHFFFAOYSA-N 0 0 349.877 4.744 50 0 EJAARN Cc1csc(-c2ccc(CNC(=O)c3ccc(Cl)s3)cc2)n1 ZINC000097938074 563922710 /nfs/dbraw/zinc/92/27/10/563922710.db2.gz QCQFQUJYYGYYNS-UHFFFAOYSA-N 0 0 348.880 4.763 50 0 EJAARN CCCCc1ccc(NC(=O)Cc2coc3cc(OC)ccc23)cc1 ZINC000032999779 563924520 /nfs/dbraw/zinc/92/45/20/563924520.db2.gz RWBUKKODIYVRTP-UHFFFAOYSA-N 0 0 337.419 4.965 50 0 EJAARN CCN(CC)c1c(=O)[nH]c2ccccc2c1-c1ccc(Cl)cc1 ZINC000072314730 563930856 /nfs/dbraw/zinc/93/08/56/563930856.db2.gz VKZHCRPDMBRUDU-UHFFFAOYSA-N 0 0 326.827 4.695 50 0 EJAARN Cc1cccc(NC(=S)N2CCCC[C@@H]2c2cccnc2)c1C ZINC000013635174 563930958 /nfs/dbraw/zinc/93/09/58/563930958.db2.gz VIFIBVRSQMUVCC-GOSISDBHSA-N 0 0 325.481 4.622 50 0 biogenic EJAARN Cc1cccc(NC(=S)N2CCCC[C@H]2c2cccnc2)c1C ZINC000013635177 563930970 /nfs/dbraw/zinc/93/09/70/563930970.db2.gz VIFIBVRSQMUVCC-SFHVURJKSA-N 0 0 325.481 4.622 50 0 biogenic EJAARN C[C@@H]1CCC[C@H](NC(=O)c2cccc(OCc3ccccc3)c2)[C@@H]1C ZINC000033028638 563931597 /nfs/dbraw/zinc/93/15/97/563931597.db2.gz DJXJETVHGPUZGE-LZJOCLMNSA-N 0 0 337.463 4.820 50 0 EJAARN CCCCNC(=O)c1cc(C)nc2c(-c3ccc(F)cc3)cccc12 ZINC000033036817 563932435 /nfs/dbraw/zinc/93/24/35/563932435.db2.gz LUBOIQCTTXCHSS-UHFFFAOYSA-N 0 0 336.410 4.879 50 0 EJAARN CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1 ZINC000053943989 563932796 /nfs/dbraw/zinc/93/27/96/563932796.db2.gz RVDQLGSRYSABBE-UHFFFAOYSA-N 0 0 334.419 4.777 50 0 EJAARN O=C(CCNc1cccc(Br)c1)c1cc2ccccc2o1 ZINC000004622466 563934988 /nfs/dbraw/zinc/93/49/88/563934988.db2.gz LPTVYKBATYMWCO-UHFFFAOYSA-N 0 0 344.208 4.880 50 0 EJAARN CCOC(=O)c1cc2c(cccc2OCc2cccc(Cl)c2)[nH]1 ZINC000072332478 563936163 /nfs/dbraw/zinc/93/61/63/563936163.db2.gz ICJWTMOVMXQEAW-UHFFFAOYSA-N 0 0 329.783 4.577 50 0 EJAARN CCc1nc2sc(C(=O)N([C@@H](C)C(C)C)C3CC3)c(C)c2c(C)n1 ZINC000058262690 563940961 /nfs/dbraw/zinc/94/09/61/563940961.db2.gz YOACSGCXIDRRCA-ZDUSSCGKSA-N 0 0 345.512 4.520 50 0 EJAARN CCN(Cc1ccco1)C(=O)c1ccc2noc(-c3ccccc3)c2c1 ZINC000058368538 563944015 /nfs/dbraw/zinc/94/40/15/563944015.db2.gz IXMDBTSZZBPZGP-UHFFFAOYSA-N 0 0 346.386 4.750 50 0 EJAARN O=C(Nc1nc2ccccc2s1)N[C@H](c1ccco1)c1ccccc1 ZINC000058377715 563944156 /nfs/dbraw/zinc/94/41/56/563944156.db2.gz YJFMACCQDOWFHY-KRWDZBQOSA-N 0 0 349.415 4.800 50 0 EJAARN COc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1F ZINC000058377784 563944212 /nfs/dbraw/zinc/94/42/12/563944212.db2.gz LNZHUXUKRPRNRQ-UHFFFAOYSA-N 0 0 349.361 4.711 50 0 EJAARN COc1ccc(CCC(=O)Nc2ccc3c4c(cccc42)CC3)cc1F ZINC000058378139 563944225 /nfs/dbraw/zinc/94/42/25/563944225.db2.gz NWRJKDXOAOEYBU-UHFFFAOYSA-N 0 0 349.405 4.657 50 0 EJAARN CC(C)[C@H]1CCCN1C(=O)c1ccc2noc(-c3ccccc3)c2c1 ZINC000058406860 563945166 /nfs/dbraw/zinc/94/51/66/563945166.db2.gz HFZQETCTAGYNFG-LJQANCHMSA-N 0 0 334.419 4.755 50 0 EJAARN C[C@H]1CCCN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)CC1 ZINC000058424870 563946050 /nfs/dbraw/zinc/94/60/50/563946050.db2.gz ULQFRRIPZVNFCT-AWEZNQCLSA-N 0 0 346.858 4.576 50 0 EJAARN CCCn1c(SCc2cc(C)ccc2C)nc2ccccc2c1=O ZINC000059094199 563947628 /nfs/dbraw/zinc/94/76/28/563947628.db2.gz VFDNMHGKKQJYJL-UHFFFAOYSA-N 0 0 338.476 4.716 50 0 EJAARN CCCn1c(=O)c2ccccc2nc1SCc1ccc(Cl)cc1 ZINC000059094192 563947629 /nfs/dbraw/zinc/94/76/29/563947629.db2.gz AXPUAFACPNLZFB-UHFFFAOYSA-N 0 0 344.867 4.752 50 0 EJAARN O=C(NCc1nc(-c2ccccc2)cs1)NC1CCCCCCC1 ZINC000059851312 563949449 /nfs/dbraw/zinc/94/94/49/563949449.db2.gz KPIQXEPQUWECHT-UHFFFAOYSA-N 0 0 343.496 4.722 50 0 EJAARN CCc1ccc(NC(=O)CN2C[C@@H](CC)Sc3ccccc32)cc1 ZINC000033059309 563951743 /nfs/dbraw/zinc/95/17/43/563951743.db2.gz BQMRHASNAIHJEX-QGZVFWFLSA-N 0 0 340.492 4.578 50 0 EJAARN CC(C)n1cc2cc(C(=O)NCCc3ccccc3Cl)sc2c1 ZINC000097944843 563956516 /nfs/dbraw/zinc/95/65/16/563956516.db2.gz YEOUKOSRPAAQEC-UHFFFAOYSA-N 0 0 346.883 4.910 50 0 EJAARN CCc1ccc(S(=O)(=O)N2CCCCC[C@@H]2c2cccs2)cc1 ZINC000064984211 563957395 /nfs/dbraw/zinc/95/73/95/563957395.db2.gz ACIODOGIHRDJNY-QGZVFWFLSA-N 0 0 349.521 4.617 50 0 EJAARN Cc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccccc2C)cc1 ZINC000064984228 563957405 /nfs/dbraw/zinc/95/74/05/563957405.db2.gz DRDAETDVRUTLKU-IBGZPJMESA-N 0 0 343.492 4.609 50 0 EJAARN CC(C)c1cc([C@@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)no1 ZINC000064984584 563957676 /nfs/dbraw/zinc/95/76/76/563957676.db2.gz RYWATHAWTIZJDW-HNNXBMFYSA-N 0 0 333.819 4.820 50 0 EJAARN CCCc1cc([C@@H]2CCCN2C(=O)Nc2ccc(CC)cc2)no1 ZINC000064984572 563957678 /nfs/dbraw/zinc/95/76/78/563957678.db2.gz WIAZVRRUFWBDJC-SFHVURJKSA-N 0 0 327.428 4.559 50 0 EJAARN CCCc1cc([C@@H]2CCCN2C(=O)Nc2ccc(C)cc2Cl)no1 ZINC000064984666 563957724 /nfs/dbraw/zinc/95/77/24/563957724.db2.gz GULFKXYZDVFSMW-KRWDZBQOSA-N 0 0 347.846 4.958 50 0 EJAARN CC(C)c1cc([C@H]2CCCN2C(=O)Nc2ccccc2Cl)on1 ZINC000064985121 563957868 /nfs/dbraw/zinc/95/78/68/563957868.db2.gz LDMQFTOMMYKCDS-OAHLLOKOSA-N 0 0 333.819 4.820 50 0 EJAARN CCc1cc([C@@H]2CCCN2C(=O)Nc2ccc(C)cc2Cl)on1 ZINC000064985032 563957884 /nfs/dbraw/zinc/95/78/84/563957884.db2.gz XIGIETCHIDYFCP-HNNXBMFYSA-N 0 0 333.819 4.568 50 0 EJAARN CSCCc1c(-c2ccccc2)ncn1[C@@H](C)c1csc(C)n1 ZINC000065373140 563958685 /nfs/dbraw/zinc/95/86/85/563958685.db2.gz ANPMBJVQVHMJTM-ZDUSSCGKSA-N 0 0 343.521 4.830 50 0 EJAARN Cc1cc(F)ccc1-c1c(-c2ccccc2)ncn1C[C@@H]1CCCO1 ZINC000065383430 563959171 /nfs/dbraw/zinc/95/91/71/563959171.db2.gz FIPHLWXFHXDRBO-SFHVURJKSA-N 0 0 336.410 4.844 50 0 EJAARN CC[C@H](c1ccnn1C)n1cnc(-c2ccccc2)c1-c1ccco1 ZINC000065386116 563959256 /nfs/dbraw/zinc/95/92/56/563959256.db2.gz YVPKOQLIJRTPRF-MRXNPFEDSA-N 0 0 332.407 4.543 50 0 EJAARN CC(=O)N[C@@H]1C[C@H](C(C)C)O[C@H](c2ccccc2-c2ccccc2)C1 ZINC000065396296 563959773 /nfs/dbraw/zinc/95/97/73/563959773.db2.gz XHFPKMCJMQBFGB-QIJUGHKUSA-N 0 0 337.463 4.734 50 0 EJAARN CC[C@H]1C[C@@H](NC(C)=O)C[C@@H](c2ccc(-c3ccccc3C)cc2)O1 ZINC000065452161 563961028 /nfs/dbraw/zinc/96/10/28/563961028.db2.gz KAIQRAKMOZRVGK-URVUXULASA-N 0 0 337.463 4.797 50 0 EJAARN Cc1ccsc1CCn1cnc(-c2ccccc2)c1-c1nccn1C ZINC000065533944 563961975 /nfs/dbraw/zinc/96/19/75/563961975.db2.gz DNMUDCIXWMOXKD-UHFFFAOYSA-N 0 0 348.475 4.563 50 0 EJAARN COc1cccc(-c2cn3cc(-c4ccc(Cl)cc4)n(C)c3n2)c1 ZINC000004678582 563963871 /nfs/dbraw/zinc/96/38/71/563963871.db2.gz BJUHUOAJEOYFJF-UHFFFAOYSA-N 0 0 337.810 4.669 50 0 EJAARN CSc1ccc([C@@H]2CC(=O)Nc3c2cnn3C2CCCC2)cc1 ZINC000071283288 563964136 /nfs/dbraw/zinc/96/41/36/563964136.db2.gz CWZLMCLMWHCXDX-HNNXBMFYSA-N 0 0 327.453 4.844 50 0 EJAARN COc1ccc2c(c1)[C@@H](OC(C)=O)C(C)(C)[C@H](c1cccs1)N2 ZINC000000035079 563964179 /nfs/dbraw/zinc/96/41/79/563964179.db2.gz RXFUIFJLKCASDT-DLBZAZTESA-N 0 0 331.437 4.554 50 0 EJAARN C[C@@H]1CCC[C@H](NC(=O)CCSCc2ccc(Cl)cc2)[C@@H]1C ZINC000004687749 563964390 /nfs/dbraw/zinc/96/43/90/563964390.db2.gz REVIGAMHFTYXHP-CPUCHLNUSA-N 0 0 339.932 4.904 50 0 EJAARN Cc1ccc(CNC(=O)c2ccc(-c3csc(C4CC4)n3)cc2)cc1 ZINC000033171343 563964433 /nfs/dbraw/zinc/96/44/33/563964433.db2.gz SDXZBLZPQHESLP-UHFFFAOYSA-N 0 0 348.471 4.926 50 0 EJAARN CCc1[nH]c2c(cc(C)cc2CNc2nccc(NC(C)C)n2)c1C ZINC000071757178 563965306 /nfs/dbraw/zinc/96/53/06/563965306.db2.gz PUAFWCVULNMZIL-UHFFFAOYSA-N 0 0 337.471 4.570 50 0 EJAARN CCN(Cc1ccccc1)N1c2ccccc2[C@@H](c2ccccc2)C1=O ZINC000071767314 563965527 /nfs/dbraw/zinc/96/55/27/563965527.db2.gz ZVLUGYUWRKXAQV-JOCHJYFZSA-N 0 0 342.442 4.602 50 0 EJAARN Clc1ccc2c(c1)C(c1ccccc1Cl)=NCc1nccn1-2 ZINC000071770392 563965619 /nfs/dbraw/zinc/96/56/19/563965619.db2.gz VOJZJYUSBGIYEC-UHFFFAOYSA-N 0 0 328.202 4.530 50 0 EJAARN Cc1ccc2c(ccc3c2N=C[C@]2(O3)N(C)c3ccccc3C2(C)C)n1 ZINC000004707544 563965887 /nfs/dbraw/zinc/96/58/87/563965887.db2.gz FEHJUTRCMLYCKS-JOCHJYFZSA-N 0 0 343.430 4.762 50 0 EJAARN Cc1ccc(-c2nc3c(s2)CN(C(=O)c2ccccc2C)CC3)cc1 ZINC000033255886 563966158 /nfs/dbraw/zinc/96/61/58/563966158.db2.gz MBWWDGSRRUKCNN-UHFFFAOYSA-N 0 0 348.471 4.625 50 0 EJAARN CCc1nc(-c2ccc(NC(=O)Nc3ccc(C)cc3C)cc2)no1 ZINC000033257291 563966173 /nfs/dbraw/zinc/96/61/73/563966173.db2.gz YJSNNORNZPMHKR-UHFFFAOYSA-N 0 0 336.395 4.560 50 0 EJAARN Cc1ccc(NC(=O)c2cccc(-c3noc(C4CCC4)n3)c2)cc1C ZINC000033257706 563966225 /nfs/dbraw/zinc/96/62/25/563966225.db2.gz LBFURTMMXIUOOT-UHFFFAOYSA-N 0 0 347.418 4.873 50 0 EJAARN CCOc1ccc(NC(=O)C[C@@H](C)Cc2cc(C)cc(C)c2)cc1 ZINC000000035493 563968051 /nfs/dbraw/zinc/96/80/51/563968051.db2.gz SOTXQAFVNRHFML-KRWDZBQOSA-N 0 0 325.452 4.910 50 0 EJAARN CCN(C(=O)[C@H](C)SCc1ccc(OC)c(F)c1)c1ccccc1 ZINC000097151279 563968330 /nfs/dbraw/zinc/96/83/30/563968330.db2.gz ZSXAYHIRSREABD-AWEZNQCLSA-N 0 0 347.455 4.509 50 0 EJAARN CC(C)c1noc([C@H]2CCCN2Cc2ccccc2-c2ccco2)n1 ZINC000077288089 563968732 /nfs/dbraw/zinc/96/87/32/563968732.db2.gz WOYYGUBJHSEEBU-QGZVFWFLSA-N 0 0 337.423 4.790 50 0 EJAARN COc1cccc([C@@H]2CCCN2C(=O)c2cccc3cc(C)oc32)c1 ZINC000077355201 563969138 /nfs/dbraw/zinc/96/91/38/563969138.db2.gz ZXPVMSGNTPVLRA-IBGZPJMESA-N 0 0 335.403 4.727 50 0 EJAARN O=C(c1ccnc2ccccc21)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000077457785 563969788 /nfs/dbraw/zinc/96/97/88/563969788.db2.gz LPQFNVBWCZSMOK-HXUWFJFHSA-N 0 0 334.394 4.741 50 0 EJAARN Cc1ccc(F)c(C(=O)N2CC[C@H](c3ccccc3F)C2)c1Cl ZINC000077518493 563970184 /nfs/dbraw/zinc/97/01/84/563970184.db2.gz WLKHNEJRFOPBSY-LBPRGKRZSA-N 0 0 335.781 4.556 50 0 EJAARN CC(=O)Nc1cc(NCc2ccc(C)cc2Br)ccc1C ZINC000097229642 563970657 /nfs/dbraw/zinc/97/06/57/563970657.db2.gz DRALLGTTXLLIAU-UHFFFAOYSA-N 0 0 347.256 4.636 50 0 EJAARN Cc1cc(NC(=O)c2ccccc2)cc(-c2nc3ccccc3o2)c1O ZINC000004733333 563971811 /nfs/dbraw/zinc/97/18/11/563971811.db2.gz JGTPTKSTSMRNEU-UHFFFAOYSA-N 0 0 344.370 4.761 50 0 EJAARN Cc1csc(-c2cc(NC(=O)Cc3ccccc3F)c(C)s2)n1 ZINC000033308475 563973466 /nfs/dbraw/zinc/97/34/66/563973466.db2.gz YGHZIAJGQMTDHA-UHFFFAOYSA-N 0 0 346.452 4.809 50 0 EJAARN Cc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1 ZINC000000069977 563973500 /nfs/dbraw/zinc/97/35/00/563973500.db2.gz RGBIEZDHXWWMHW-XSEIIIHRSA-N 0 0 332.447 4.863 50 0 EJAARN Cc1ccc(C(=O)N2CCC(CCOc3ccccc3F)CC2)s1 ZINC000033311821 563973577 /nfs/dbraw/zinc/97/35/77/563973577.db2.gz BQWAIVKPBSIVCS-UHFFFAOYSA-N 0 0 347.455 4.517 50 0 EJAARN O=C(NC[C@@H](c1ccco1)c1cccs1)c1ccccc1Cl ZINC000585146791 563973955 /nfs/dbraw/zinc/97/39/55/563973955.db2.gz QDRSMQROQIXYBC-ZDUSSCGKSA-N 0 0 331.824 4.556 50 0 EJAARN COc1ccc(Cl)cc1NC(=O)C1=Cc2ccc(C)cc2OC=C1 ZINC000033324427 563974048 /nfs/dbraw/zinc/97/40/48/563974048.db2.gz PWZWOPQQJCEBIA-UHFFFAOYSA-N 0 0 341.794 4.585 50 0 EJAARN FC(F)Oc1cccc(COc2ccc(Br)cc2)c1 ZINC000086014418 563974067 /nfs/dbraw/zinc/97/40/67/563974067.db2.gz UCXLNBANNNEYNK-UHFFFAOYSA-N 0 0 329.140 4.630 50 0 EJAARN Cc1ccccc1N1C(=O)c2ccccc2/C(=C/c2ccccc2)C1=O ZINC000023215772 563974267 /nfs/dbraw/zinc/97/42/67/563974267.db2.gz AHOOXEZRHSKRPN-HKWRFOASSA-N 0 0 339.394 4.723 50 0 EJAARN Cc1cccc(C(=O)N[C@H](c2nc(-c3ccccc3)no2)C(C)(C)C)c1 ZINC000585152313 563974344 /nfs/dbraw/zinc/97/43/44/563974344.db2.gz NOQAOFJLCPKJLP-QGZVFWFLSA-N 0 0 349.434 4.562 50 0 EJAARN Cc1ccc(N(C(=O)Nc2ccccc2)C2=NC[C@@H](C)S2)cc1C ZINC000000077104 563974528 /nfs/dbraw/zinc/97/45/28/563974528.db2.gz BNNGLQLUWQZTBZ-OAHLLOKOSA-N 0 0 339.464 4.833 50 0 EJAARN CC(=O)c1cccc(NC(=O)N[C@H](c2ccc(C)o2)C(C)(C)C)c1 ZINC000072284981 563974868 /nfs/dbraw/zinc/97/48/68/563974868.db2.gz JSSHCESTAHVUSV-QGZVFWFLSA-N 0 0 328.412 4.700 50 0 EJAARN CC(=Cc1nc2ccc(F)cc2s1)c1nc(=O)c2ccsc2[nH]1 ZINC000559353496 563974949 /nfs/dbraw/zinc/97/49/49/563974949.db2.gz MIGFZOFRAZPWEK-SOFGYWHQSA-N 0 0 343.408 4.706 50 0 EJAARN CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCCC2 ZINC000000084510 563975014 /nfs/dbraw/zinc/97/50/14/563975014.db2.gz IVFRGIUWKFAIGI-UHFFFAOYSA-N 0 0 342.464 4.536 50 0 EJAARN COc1ccc(C(=O)[C@@H](C)Sc2nc3cc(C)c(C)cc3[nH]2)cc1 ZINC000000085622 563975414 /nfs/dbraw/zinc/97/54/14/563975414.db2.gz HBXSTCKGUJPOLE-CYBMUJFWSA-N 0 0 340.448 4.552 50 0 EJAARN CC(C)Cc1cc(C(=O)N2CCCCC[C@H]2c2cccc(F)c2)on1 ZINC000091737052 563975703 /nfs/dbraw/zinc/97/57/03/563975703.db2.gz YUGISTDQCYCMDB-SFHVURJKSA-N 0 0 344.430 4.770 50 0 EJAARN CC[C@@H](c1ccncc1)n1cc(-c2cccc(Cl)c2Cl)nn1 ZINC000091915507 563975940 /nfs/dbraw/zinc/97/59/40/563975940.db2.gz NAPLVHQXCGLUQE-HNNXBMFYSA-N 0 0 333.222 4.646 50 0 EJAARN Cc1cccc(-n2ncc3c2ncnc3Nc2cccc(Cl)c2)c1 ZINC000006207451 563976985 /nfs/dbraw/zinc/97/69/85/563976985.db2.gz GQOVNANAFIMTDC-UHFFFAOYSA-N 0 0 335.798 4.521 50 0 EJAARN COCCC[C@@H]1CCCCN1C(=O)Nc1cc(C)c(F)cc1Cl ZINC000095518515 563977306 /nfs/dbraw/zinc/97/73/06/563977306.db2.gz QMBBXEIMMKKYQW-ZDUSSCGKSA-N 0 0 342.842 4.601 50 0 EJAARN COCCC[C@H]1CCCCN1C(=O)Nc1cc(C)c(F)cc1Cl ZINC000095518514 563977340 /nfs/dbraw/zinc/97/73/40/563977340.db2.gz QMBBXEIMMKKYQW-CYBMUJFWSA-N 0 0 342.842 4.601 50 0 EJAARN c1c2c(n(Cc3ccccc3)c1-c1ccc3c(c1)OCO3)CCCC2 ZINC000095951734 563977823 /nfs/dbraw/zinc/97/78/23/563977823.db2.gz NMAQHTKAHFTTFL-UHFFFAOYSA-N 0 0 331.415 4.811 50 0 EJAARN CCOC(=O)c1sc2nc(C)c(Cl)c(C)c2c1-n1cccc1 ZINC000000095102 563977877 /nfs/dbraw/zinc/97/78/77/563977877.db2.gz FJKILPUGKVKVGU-UHFFFAOYSA-N 0 0 334.828 4.534 50 0 EJAARN Cc1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1F ZINC000096170913 563979988 /nfs/dbraw/zinc/97/99/88/563979988.db2.gz DEOXYROVSVXYAI-UHFFFAOYSA-N 0 0 328.265 4.677 50 0 EJAARN Cc1ccccc1-c1nn2c(nnc2-c2cc3ccccc3o2)s1 ZINC000096193776 563980114 /nfs/dbraw/zinc/98/01/14/563980114.db2.gz GHAWCXDQSYSNEK-UHFFFAOYSA-N 0 0 332.388 4.574 50 0 EJAARN O=C(NCCc1cccc2cccnc21)Nc1cccc2ccccc21 ZINC000011563350 563980788 /nfs/dbraw/zinc/98/07/88/563980788.db2.gz LEIRDADXGMKHPJ-UHFFFAOYSA-N 0 0 341.414 4.752 50 0 EJAARN COc1ccc(C)cc1NC(=O)CNc1ccccc1-c1ccccc1 ZINC000011618625 563981278 /nfs/dbraw/zinc/98/12/78/563981278.db2.gz QQNLNANSQNPHSV-UHFFFAOYSA-N 0 0 346.430 4.721 50 0 EJAARN Cc1ccc(-c2cc(C(=O)NC3CCCC3)c3ccccc3n2)s1 ZINC000006279123 563981522 /nfs/dbraw/zinc/98/15/22/563981522.db2.gz VCBRXJXYCACFTE-UHFFFAOYSA-N 0 0 336.460 4.944 50 0 EJAARN Cc1[nH]c2ccccc2c1-c1csc(NC(=O)CC(C)(C)C)n1 ZINC000014595494 563986044 /nfs/dbraw/zinc/98/60/44/563986044.db2.gz NCKGXCRYVCOUEG-UHFFFAOYSA-N 0 0 327.453 4.975 50 0 EJAARN Cc1cccc(-c2nc3ccccc3c(=O)n2Cc2ccccc2C)c1 ZINC000000109387 563986507 /nfs/dbraw/zinc/98/65/07/563986507.db2.gz FEHBIYVRNNQYRZ-UHFFFAOYSA-N 0 0 340.426 4.729 50 0 EJAARN CC1(C)C(=O)O[C@H](c2ccc(F)cc2Cl)C2(CCCCC2)C1=O ZINC000000111969 563986601 /nfs/dbraw/zinc/98/66/01/563986601.db2.gz OLKMGSOKVRMQSK-CQSZACIVSA-N 0 0 338.806 4.623 50 0 EJAARN O=[N+]([O-])N1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@H]1CCC3 ZINC000000131426 563986981 /nfs/dbraw/zinc/98/69/81/563986981.db2.gz CGBJMCAWUZNITI-LJQANCHMSA-N 0 0 339.439 4.574 50 0 biogenic,in-vitro EJAARN Cc1ccc(C)c(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1C ZINC000000144596 563987163 /nfs/dbraw/zinc/98/71/63/563987163.db2.gz XQKDVXIAGOMNEU-UHFFFAOYSA-N 0 0 337.341 4.648 50 0 EJAARN CCOc1ccccc1OCC(=O)Oc1ccccc1-c1ccccc1 ZINC000000145718 563987221 /nfs/dbraw/zinc/98/72/21/563987221.db2.gz VLIJENXJUANHMX-UHFFFAOYSA-N 0 0 348.398 4.737 50 0 EJAARN CC(C)COC(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 ZINC000000147045 563987251 /nfs/dbraw/zinc/98/72/51/563987251.db2.gz HPQWDLZKCIJBJU-UHFFFAOYSA-N 0 0 346.814 4.797 50 0 EJAARN COC(=O)c1cccc(CSc2cccc(C(F)(F)F)c2)c1 ZINC000000161212 563987501 /nfs/dbraw/zinc/98/75/01/563987501.db2.gz XBTPPDFBUNUWMA-UHFFFAOYSA-N 0 0 326.339 4.784 50 0 EJAARN C[C@H]1CCc2nc(NC(=O)c3ccc(C(C)(C)C)cc3)sc2C1 ZINC000000175169 563987641 /nfs/dbraw/zinc/98/76/41/563987641.db2.gz BSVRYHUKDKSSPP-LBPRGKRZSA-N 0 0 328.481 4.818 50 0 EJAARN Cc1ccc(C2=N/C(=C\c3cccc(Cl)c3Cl)C(=O)O2)cc1C ZINC000000178100 563987741 /nfs/dbraw/zinc/98/77/41/563987741.db2.gz GAUGAHPRVDSOFR-DHDCSXOGSA-N 0 0 346.213 4.955 50 0 EJAARN Cc1nc2ccc3nc(NC(=O)c4ccc(C)cc4)sc3c2s1 ZINC000000188290 563988005 /nfs/dbraw/zinc/98/80/05/563988005.db2.gz PKAQEJUCOZGDBX-UHFFFAOYSA-N 0 0 339.445 4.775 50 0 EJAARN COc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(C)=O ZINC000000190825 563988136 /nfs/dbraw/zinc/98/81/36/563988136.db2.gz UMFPJMYDTUQYTP-UHFFFAOYSA-N 0 0 337.491 4.816 50 0 EJAARN CCOc1cccc2sc(NC(=O)c3cc(C)cc(C)c3)nc21 ZINC000000191227 563988155 /nfs/dbraw/zinc/98/81/55/563988155.db2.gz FDKWXHMJEPJHAL-UHFFFAOYSA-N 0 0 326.421 4.564 50 0 EJAARN Cc1cccn2cc(-c3cccc(NC(=O)c4cccs4)c3)nc12 ZINC000000203135 563988406 /nfs/dbraw/zinc/98/84/06/563988406.db2.gz SSGPYQJUVFWFOY-UHFFFAOYSA-N 0 0 333.416 4.624 50 0 EJAARN CCC(=O)Oc1c(Sc2ccc(C)cc2)c(C)nn1C(C)(C)C ZINC000000212763 563988568 /nfs/dbraw/zinc/98/85/68/563988568.db2.gz WIKJLRXHODMMBX-UHFFFAOYSA-N 0 0 332.469 4.722 50 0 EJAARN Fc1ccc(-c2cc(C(F)(F)F)nc(NC3CCCC3)n2)cc1 ZINC000000213212 563988572 /nfs/dbraw/zinc/98/85/72/563988572.db2.gz GYHBNVDFSSVMFR-UHFFFAOYSA-N 0 0 325.309 4.656 50 0 EJAARN Cc1nc2cc(C(=O)NC3CCCC3)ccc2n1-c1cc(C)cc(C)c1 ZINC000000216878 563988716 /nfs/dbraw/zinc/98/87/16/563988716.db2.gz BYOJJQXYNGYSLK-UHFFFAOYSA-N 0 0 347.462 4.623 50 0 EJAARN Fc1ccccc1[C@H]1C[C@H](c2cccnc2)Nc2nc3ccccc3n21 ZINC000000223063 563988885 /nfs/dbraw/zinc/98/88/85/563988885.db2.gz APJCEEGVZKLZAQ-UYAOXDASSA-N 0 0 344.393 4.717 50 0 EJAARN CCc1ccc([C@@H]2C[C@@H](c3ccccc3Cl)n3ncnc3N2)cc1 ZINC000000222526 563988893 /nfs/dbraw/zinc/98/88/93/563988893.db2.gz KSKMUZQIBDHMCL-ROUUACIJSA-N 0 0 338.842 4.640 50 0 EJAARN CCc1ccccc1N(C)C(=O)CCn1c2ccccc2oc1=S ZINC000000224632 563988992 /nfs/dbraw/zinc/98/89/92/563988992.db2.gz JUHMPVDLCULOTL-UHFFFAOYSA-N 0 0 340.448 4.579 50 0 EJAARN CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1 ZINC000000252300 563989504 /nfs/dbraw/zinc/98/95/04/563989504.db2.gz HXFDEUCGDHJXHT-KRWDZBQOSA-N 0 0 347.462 4.502 50 0 EJAARN Cc1ccccc1CSCc1ccc(C(=O)NCCC(C)C)o1 ZINC000000262978 563989760 /nfs/dbraw/zinc/98/97/60/563989760.db2.gz SDUNILVYYZBAOA-UHFFFAOYSA-N 0 0 331.481 4.797 50 0 EJAARN Cc1ccc(CSCc2ccc(C(=O)NCCC(C)C)o2)cc1 ZINC000000262952 563989781 /nfs/dbraw/zinc/98/97/81/563989781.db2.gz IDTUBQFGQPRCGG-UHFFFAOYSA-N 0 0 331.481 4.797 50 0 EJAARN C=CC(=O)N1c2c(OC)cccc2-c2c(ssc2=S)C1(C)C ZINC000000268644 563989991 /nfs/dbraw/zinc/98/99/91/563989991.db2.gz SVSUYXBXTPACEE-UHFFFAOYSA-N 0 0 349.502 4.982 50 0 EJAARN COc1cccc(NC(=O)N2CCS[C@@H]2c2ccc(Cl)cc2)c1 ZINC000028232251 563990867 /nfs/dbraw/zinc/99/08/67/563990867.db2.gz DWXSNJLYLOHNKK-MRXNPFEDSA-N 0 0 348.855 4.628 50 0 EJAARN Cc1sc2ncnc(Oc3ccc(Br)cc3)c2c1C ZINC000000319793 563991120 /nfs/dbraw/zinc/99/11/20/563991120.db2.gz IUWORPAFDUBEBI-UHFFFAOYSA-N 0 0 335.226 4.863 50 0 EJAARN Cc1nn(C(C)C)c(C)c1NC(=O)CCCOc1ccccc1Cl ZINC000050587866 563991483 /nfs/dbraw/zinc/99/14/83/563991483.db2.gz CCNMTHWXGDTNIB-UHFFFAOYSA-N 0 0 349.862 4.532 50 0 EJAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Oc1ccc(Cl)cc1 ZINC000000367545 563991760 /nfs/dbraw/zinc/99/17/60/563991760.db2.gz PEIHFHRSEHVFLM-UHFFFAOYSA-N 0 0 347.201 4.707 50 0 EJAARN Cc1cccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c1 ZINC000000370777 563991773 /nfs/dbraw/zinc/99/17/73/563991773.db2.gz QFHCQFFGABGLNM-UHFFFAOYSA-N 0 0 325.339 4.558 50 0 EJAARN O=C(Nc1ccccc1)c1cnn(-c2ccccc2)c1-c1ccccc1 ZINC000000385245 563991995 /nfs/dbraw/zinc/99/19/95/563991995.db2.gz GCKILFKASGEQHC-UHFFFAOYSA-N 0 0 339.398 4.792 50 0 EJAARN O=C(Nc1ccccn1)c1cc2c(s1)c1ccccc1nc2Cl ZINC000004885119 563992239 /nfs/dbraw/zinc/99/22/39/563992239.db2.gz ZEIGGFSCRFGMHJ-UHFFFAOYSA-N 0 0 339.807 4.750 50 0 EJAARN O=C(CSc1ccc2ccccc2c1)N1CCCc2ccccc21 ZINC000004886712 563992260 /nfs/dbraw/zinc/99/22/60/563992260.db2.gz MKSGZSUOYJJVCE-UHFFFAOYSA-N 0 0 333.456 4.911 50 0 EJAARN Cc1ccccc1Nc1c(-c2ccc(N(C)C)cc2)nc2ncccn21 ZINC000004903354 563992369 /nfs/dbraw/zinc/99/23/69/563992369.db2.gz WTNBCGNZCNKEGD-UHFFFAOYSA-N 0 0 343.434 4.514 50 0 EJAARN Cc1cccc(CCNC(=O)c2cc3c(o2)c2ccccc2nc3C)c1 ZINC000004902560 563992371 /nfs/dbraw/zinc/99/23/71/563992371.db2.gz FSFYVYUBWRBETF-UHFFFAOYSA-N 0 0 344.414 4.570 50 0 EJAARN Cc1[nH]c2ccccc2c1CCNC(=S)Nc1cc(C)ccc1C ZINC000004904694 563992373 /nfs/dbraw/zinc/99/23/73/563992373.db2.gz UCEDNQUFRIKKQT-UHFFFAOYSA-N 0 0 337.492 4.622 50 0 EJAARN O=C1c2ccccc2[C@H](Nc2ccc(Cl)cc2)N1c1cccnc1 ZINC000004917575 563992429 /nfs/dbraw/zinc/99/24/29/563992429.db2.gz YDAKUQFIWLTFRL-GOSISDBHSA-N 0 0 335.794 4.506 50 0 EJAARN Cc1nn([C@@H](C)CC(=O)Nc2cc(Cl)ccc2C)c(C)c1Cl ZINC000004937340 563992680 /nfs/dbraw/zinc/99/26/80/563992680.db2.gz OYRCHBOBELSKNG-JTQLQIEISA-N 0 0 340.254 4.705 50 0 EJAARN C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCCC[C@H]2c2nccs2)o1 ZINC000257365069 563993401 /nfs/dbraw/zinc/99/34/01/563993401.db2.gz DWVHNQYVENTWOU-BMFZPTHFSA-N 0 0 344.480 4.546 50 0 EJAARN CCCC(=O)Nc1ccc(C(=O)COc2cccc3ccccc32)cc1 ZINC000004960771 563993434 /nfs/dbraw/zinc/99/34/34/563993434.db2.gz NDVXCMAHZQKQED-UHFFFAOYSA-N 0 0 347.414 4.840 50 0 EJAARN Cc1cc(Cl)ncc1NC(=O)c1csc(-c2ccccc2F)n1 ZINC000135858115 563993935 /nfs/dbraw/zinc/99/39/35/563993935.db2.gz HKUURMFJDPBDDD-UHFFFAOYSA-N 0 0 347.802 4.558 50 0 EJAARN COc1ccccc1NC(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000005050079 563994061 /nfs/dbraw/zinc/99/40/61/563994061.db2.gz AIOJOXLMVRAZBZ-UHFFFAOYSA-N 0 0 337.400 4.568 50 0 EJAARN CC(=O)c1ccc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)cc1 ZINC000005050991 563994086 /nfs/dbraw/zinc/99/40/86/563994086.db2.gz SXEOFEXEWBAKLB-UHFFFAOYSA-N 0 0 349.411 4.762 50 0 EJAARN CCC(=O)Nc1ccc(C(=O)CSc2ccc(Cl)cc2)cc1 ZINC000005105626 563994346 /nfs/dbraw/zinc/99/43/46/563994346.db2.gz QSMWLZPWYUWRKZ-UHFFFAOYSA-N 0 0 333.840 4.664 50 0 EJAARN Clc1ccc2[nH]c3c(ncnc3NCCCc3ccccc3)c2c1 ZINC000005151655 563994743 /nfs/dbraw/zinc/99/47/43/563994743.db2.gz QIQMAPMYQHBMAX-UHFFFAOYSA-N 0 0 336.826 4.809 50 0 EJAARN COC(=O)c1cc(Nc2ccc(F)cc2)c2cc(Cl)ccc2n1 ZINC000038486592 563994830 /nfs/dbraw/zinc/99/48/30/563994830.db2.gz UETFVHFFISUEMF-UHFFFAOYSA-N 0 0 330.746 4.558 50 0 EJAARN COC(=O)c1cc(Nc2cccc(C)c2)c2cc(Cl)ccc2n1 ZINC000038486589 563994842 /nfs/dbraw/zinc/99/48/42/563994842.db2.gz BOHWJGWDLNIRJL-UHFFFAOYSA-N 0 0 326.783 4.727 50 0 EJAARN O=C(Cc1cccc(F)c1)Nc1c(F)cc(F)cc1-c1ccccc1 ZINC000124436762 563995214 /nfs/dbraw/zinc/99/52/14/563995214.db2.gz HJHPBFGSINNCHM-UHFFFAOYSA-N 0 0 341.332 4.952 50 0 EJAARN Cc1ccc(CCCC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 ZINC000044383152 563995264 /nfs/dbraw/zinc/99/52/64/563995264.db2.gz WHDADWZHJIUTEB-HXUWFJFHSA-N 0 0 347.462 4.558 50 0 EJAARN Cc1nnc(NC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)s1 ZINC000000353811 563996890 /nfs/dbraw/zinc/99/68/90/563996890.db2.gz CVIHZURLSXYUCK-UHFFFAOYSA-N 0 0 331.485 4.694 50 0 EJAARN Cc1[nH]nc2nc3ccc(Br)cc3c(-c3ccccc3)c12 ZINC000000402613 563997517 /nfs/dbraw/zinc/99/75/17/563997517.db2.gz RVPUHWWCTUSTMZ-UHFFFAOYSA-N 0 0 338.208 4.849 50 0 EJAARN Cc1cc(O[C@H]2CCCCC2=O)c2c(c1)oc(=O)cc2-c1ccccc1 ZINC000000407878 563997611 /nfs/dbraw/zinc/99/76/11/563997611.db2.gz DBFWYIJIFCCVBI-SFHVURJKSA-N 0 0 348.398 4.659 50 0 EJAARN O=C1CS[C@H](c2cccc(C(F)(F)F)c2)N1c1cccc(F)c1 ZINC000000423895 563998366 /nfs/dbraw/zinc/99/83/66/563998366.db2.gz RWMVRCDUOVHJHY-OAHLLOKOSA-N 0 0 341.329 4.623 50 0 EJAARN O=C1CS[C@H](c2cccc(F)c2)N1c1ccc(Cl)c(Cl)c1 ZINC000000423839 563998375 /nfs/dbraw/zinc/99/83/75/563998375.db2.gz JORXJNDNYZCFHT-OAHLLOKOSA-N 0 0 342.222 4.911 50 0 EJAARN O=C1CS[C@H](c2ccccc2F)N1c1cc(Cl)cc(Cl)c1 ZINC000000423781 563998381 /nfs/dbraw/zinc/99/83/81/563998381.db2.gz ZPGZVTBTDVJUBJ-OAHLLOKOSA-N 0 0 342.222 4.911 50 0 EJAARN O=C1CS[C@H](c2ccccc2F)N1c1ccc(Cl)c(Cl)c1 ZINC000000423785 563998385 /nfs/dbraw/zinc/99/83/85/563998385.db2.gz IIJWWWQRAWTGPO-OAHLLOKOSA-N 0 0 342.222 4.911 50 0 EJAARN S=c1[nH]c(-c2ccc(Br)cc2)cn1-c1ccccc1 ZINC000000424373 563998437 /nfs/dbraw/zinc/99/84/37/563998437.db2.gz TZNLKOXUQJUKMR-UHFFFAOYSA-N 0 0 331.238 4.964 50 0 EJAARN Cc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2cccc(Cl)c2)C(=S)N1 ZINC000000424831 563998468 /nfs/dbraw/zinc/99/84/68/563998468.db2.gz TZYMECTYEOVZMW-CRAIPNDOSA-N 0 0 344.867 4.583 50 0 EJAARN COc1ccc(C)cc1NC(=O)c1cc2cc3ccc(C)cc3nc2o1 ZINC000000429004 563998921 /nfs/dbraw/zinc/99/89/21/563998921.db2.gz PXTKDHIZCVOIRQ-UHFFFAOYSA-N 0 0 346.386 4.859 50 0 EJAARN Cc1ccc2cc3cc(C(=O)Nc4ccc(F)cc4F)oc3nc2c1 ZINC000000428968 563998925 /nfs/dbraw/zinc/99/89/25/563998925.db2.gz CWSHGJLWSDHGLY-UHFFFAOYSA-N 0 0 338.313 4.820 50 0 EJAARN Cc1ccc(-n2ncc3c2ncnc3Nc2ccc(Cl)cc2)c(C)c1 ZINC000000426359 563999017 /nfs/dbraw/zinc/99/90/17/563999017.db2.gz ZJXQZQHUPOCAIX-UHFFFAOYSA-N 0 0 349.825 4.829 50 0 EJAARN O=C1OC(c2cccc3ccccc32)=NC1=CNc1ccc(Cl)cc1 ZINC000000431261 563999426 /nfs/dbraw/zinc/99/94/26/563999426.db2.gz XQFVPPYEGPEKED-LDADJPATSA-N 0 0 348.789 4.750 50 0 EJAARN CCCC1CCC(C2=N/C(=C/c3ccc(OCC)cc3)C(=O)O2)CC1 ZINC000000431179 563999439 /nfs/dbraw/zinc/99/94/39/563999439.db2.gz WJSXYKZBRVCBDS-XMHGGMMESA-N 0 0 341.451 4.988 50 0 EJAARN CNc1nc2c(s1)[C@@H](c1cccc(Cl)c1Cl)CC(=O)N2 ZINC000061719913 564000458 /nfs/dbraw/zinc/00/04/58/564000458.db2.gz DFAFZNZFCNCWPC-SSDOTTSWSA-N 0 0 328.224 4.615 50 0 EJAARN COC(=O)Nc1cccc(NCc2cc3ccccc3nc2Cl)c1 ZINC000079180069 564001013 /nfs/dbraw/zinc/00/10/13/564001013.db2.gz BNMCNZRVVRQUQG-UHFFFAOYSA-N 0 0 341.798 4.679 50 0 EJAARN CCn1cc(NC(=O)NCCc2c[nH]c3ccccc23)c2ccccc21 ZINC000005266077 564001723 /nfs/dbraw/zinc/00/17/23/564001723.db2.gz INWASGKZTWMZFW-UHFFFAOYSA-N 0 0 346.434 4.507 50 0 EJAARN Cc1ccc(CC(=O)Nc2nc3c(s2)CCc2ccccc2-3)c(C)c1 ZINC000005267966 564001814 /nfs/dbraw/zinc/00/18/14/564001814.db2.gz RYIWIKSYVLYSJF-UHFFFAOYSA-N 0 0 348.471 4.707 50 0 EJAARN Cc1ccc(OC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1C ZINC000000977243 564002229 /nfs/dbraw/zinc/00/22/29/564002229.db2.gz XZAMPUCLNLXZDQ-UHFFFAOYSA-N 0 0 345.398 4.775 50 0 EJAARN O=C(Nc1ncnc2sccc21)c1ccc(Cc2ccccc2)cc1 ZINC000005299446 564002524 /nfs/dbraw/zinc/00/25/24/564002524.db2.gz GMDXAGLWZQUXAX-UHFFFAOYSA-N 0 0 345.427 4.534 50 0 EJAARN Cc1cc(Br)ccc1NC(=O)Nc1c[nH]c2ccccc12 ZINC000005299983 564002550 /nfs/dbraw/zinc/00/25/50/564002550.db2.gz KSPYIOWRKVUJDT-UHFFFAOYSA-N 0 0 344.212 4.883 50 0 EJAARN COc1ccc(-c2nc3c(c(SC(C)C)n2)COC(C)(C)C3)cc1 ZINC000005325233 564002631 /nfs/dbraw/zinc/00/26/31/564002631.db2.gz KFQPDOFCQMXHQO-UHFFFAOYSA-N 0 0 344.480 4.504 50 0 EJAARN CCCCN(Cc1cccs1)C(=O)c1cc2ccc(OC)cc2[nH]1 ZINC000005346034 564002927 /nfs/dbraw/zinc/00/29/27/564002927.db2.gz OSYBZCQUTAXLBC-UHFFFAOYSA-N 0 0 342.464 4.681 50 0 EJAARN Cc1ccc(CC2=C3C(=NC(=S)N[C@@H]3c3ccc(C)cc3)CC2)cc1 ZINC000005380157 564003166 /nfs/dbraw/zinc/00/31/66/564003166.db2.gz IOYLMRXZOHCIKA-DILWRCETSA-N 0 0 346.499 4.954 50 0 EJAARN O=C(Cc1c[nH]c2ccccc12)OCc1ccc(Cl)c(Cl)c1 ZINC000005400769 564003631 /nfs/dbraw/zinc/00/36/31/564003631.db2.gz ISXBQENASKCRMD-UHFFFAOYSA-N 0 0 334.202 4.761 50 0 EJAARN CN(Cc1nc2ccccc2s1)C(=O)c1ccc2ccccc2c1 ZINC000005406275 564003695 /nfs/dbraw/zinc/00/36/95/564003695.db2.gz AZZCDJIHDXKRKJ-UHFFFAOYSA-N 0 0 332.428 4.722 50 0 EJAARN Cc1cc(C)c(C(=O)COC(=O)C=Cc2cccc(Cl)c2)cc1C ZINC000002631986 564003928 /nfs/dbraw/zinc/00/39/28/564003928.db2.gz COGRRGPJYACXHZ-BQYQJAHWSA-N 0 0 342.822 4.705 50 0 EJAARN COc1ccc2oc(C(=O)N[C@@H]3CCCc4ccccc43)c(C)c2c1 ZINC000005442778 564004044 /nfs/dbraw/zinc/00/40/44/564004044.db2.gz NTSGVDGPBBYLSK-GOSISDBHSA-N 0 0 335.403 4.557 50 0 EJAARN CCCOc1cccc(C(=O)Nc2nc3c(cc(C)cc3C)s2)c1 ZINC000005469455 564004414 /nfs/dbraw/zinc/00/44/14/564004414.db2.gz XCUCGXHVMROJTD-UHFFFAOYSA-N 0 0 340.448 4.954 50 0 EJAARN CC(=O)c1cccc(OCC(=O)Nc2ccc(-c3ccccc3)cc2)c1 ZINC000003609955 564004643 /nfs/dbraw/zinc/00/46/43/564004643.db2.gz DFZVVAIIGQRNOK-UHFFFAOYSA-N 0 0 345.398 4.574 50 0 EJAARN C[C@@H]1CCCCN1CC(=O)Nc1ccccc1Sc1ccccc1 ZINC000003583706 564004651 /nfs/dbraw/zinc/00/46/51/564004651.db2.gz WTMAWVDVNDTYRK-MRXNPFEDSA-N 0 0 340.492 4.651 50 0 EJAARN CC1(C)c2ccccc2N2CCC(=O)N[C@@]21/C=C/c1cccc(F)c1 ZINC000005485597 564004659 /nfs/dbraw/zinc/00/46/59/564004659.db2.gz TZKLBLRWAFSXPF-ACUNGTFPSA-N 0 0 336.410 4.693 50 0 EJAARN CCc1ccc(C(=O)[C@H](C)OC(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000005504665 564004749 /nfs/dbraw/zinc/00/47/49/564004749.db2.gz AOYYQQRSYVICFT-HNNXBMFYSA-N 0 0 336.431 4.556 50 0 EJAARN Cc1cccc(COc2ccc3c4c(c(=O)oc3c2C)CCCC4)c1 ZINC000005554574 564005289 /nfs/dbraw/zinc/00/52/89/564005289.db2.gz XQDNWMQUIWAFAN-UHFFFAOYSA-N 0 0 334.415 4.868 50 0 EJAARN c1ccc(-c2ccc(C3=NN4COc5ccccc5[C@@H]4C3)cc2)cc1 ZINC000005573248 564005751 /nfs/dbraw/zinc/00/57/51/564005751.db2.gz IQYHFROLVAUMRO-NRFANRHFSA-N 0 0 326.399 4.855 50 0 EJAARN CC(=O)c1ccc(OC(=O)COc2ccccc2-c2ccccc2)cc1 ZINC000005576217 564005813 /nfs/dbraw/zinc/00/58/13/564005813.db2.gz FCCTVELUBLCXOD-UHFFFAOYSA-N 0 0 346.382 4.541 50 0 EJAARN O=C1/C(=C/c2ccccc2)N=C(c2ccccc2)N1Cc1ccccc1 ZINC000005257390 564005853 /nfs/dbraw/zinc/00/58/53/564005853.db2.gz RLDJPVOPEYBWFF-PGMHBOJBSA-N 0 0 338.410 4.517 50 0 EJAARN CC(C)Cc1ccc([C@H](C)C2=NCCc3cc4c(cc32)OCO4)cc1 ZINC000005284671 564005895 /nfs/dbraw/zinc/00/58/95/564005895.db2.gz SHPCVIPQFZWPKG-HNNXBMFYSA-N 0 0 335.447 4.763 50 0 EJAARN Cc1cc(Nc2ccc(O)cc2)c2cc(Br)ccc2n1 ZINC000005583357 564005907 /nfs/dbraw/zinc/00/59/07/564005907.db2.gz DBLVIJPVUKEMPV-UHFFFAOYSA-N 0 0 329.197 4.755 50 0 EJAARN CCc1ccc2c(CSc3nc4ccccc4[nH]3)cc(=O)oc2c1 ZINC000005628365 564006703 /nfs/dbraw/zinc/00/67/03/564006703.db2.gz HYUDYIRJXVQFKD-UHFFFAOYSA-N 0 0 336.416 4.524 50 0 EJAARN CC(=O)Nc1ccc(NC(=O)OCc2ccc(C(C)(C)C)cc2)cc1 ZINC000005631926 564006778 /nfs/dbraw/zinc/00/67/78/564006778.db2.gz POILSYKYWGEPFX-UHFFFAOYSA-N 0 0 340.423 4.691 50 0 EJAARN CCC(CC)NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 ZINC000007004023 564006798 /nfs/dbraw/zinc/00/67/98/564006798.db2.gz REZLKZPJHSAIGQ-UHFFFAOYSA-N 0 0 331.843 4.837 50 0 EJAARN CC(C)NC(=S)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000005636850 564006851 /nfs/dbraw/zinc/00/68/51/564006851.db2.gz UNPGNCDBEKKKOM-UHFFFAOYSA-N 0 0 328.525 4.849 50 0 EJAARN COc1ccccc1CN(C)C(=O)c1cccc(Oc2ccccc2)c1 ZINC000005638158 564006888 /nfs/dbraw/zinc/00/68/88/564006888.db2.gz XKPXABMYFDMGPA-UHFFFAOYSA-N 0 0 347.414 4.760 50 0 EJAARN Cc1cc(NC(=O)c2ccccc2)ccc1NC(=O)C1CCCCC1 ZINC000016527341 564007037 /nfs/dbraw/zinc/00/70/37/564007037.db2.gz XDBFPEVWTPNWCN-UHFFFAOYSA-N 0 0 336.435 4.766 50 0 EJAARN CCn1c(Cc2ccccc2)nnc1SCc1ccccc1Cl ZINC000005658885 564007066 /nfs/dbraw/zinc/00/70/66/564007066.db2.gz SSBOSVWHVQMPEQ-UHFFFAOYSA-N 0 0 343.883 4.835 50 0 EJAARN COCCC[C@H](C)C(=O)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000272488677 564007377 /nfs/dbraw/zinc/00/73/77/564007377.db2.gz HMBCUUUIGDPOFJ-OXJNMPFZSA-N 0 0 325.452 4.566 50 0 EJAARN FC(F)(F)CCOc1c(Br)cccc1C(F)(F)F ZINC000169725669 564017197 /nfs/dbraw/zinc/01/71/97/564017197.db2.gz SFGNELLYEVFULT-UHFFFAOYSA-N 0 0 337.057 4.799 50 0 EJAARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCC(C)CC1 ZINC000017355664 564011745 /nfs/dbraw/zinc/01/17/45/564011745.db2.gz OWZXELCWJIMJQW-UHFFFAOYSA-N 0 0 334.872 4.644 50 0 EJAARN CC(C)(C)c1ccc(O)c(NC(=O)c2ccc3ncsc3c2)c1 ZINC000017360935 564011796 /nfs/dbraw/zinc/01/17/96/564011796.db2.gz ANOLVZNLBNTXNL-UHFFFAOYSA-N 0 0 326.421 4.552 50 0 EJAARN Cc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCCC2)cc1 ZINC000000556468 564012710 /nfs/dbraw/zinc/01/27/10/564012710.db2.gz FXTTVDGBSJKBFX-UHFFFAOYSA-N 0 0 328.843 4.891 50 0 EJAARN CCCOc1cccc(C(=O)Nc2nc3c(cccc3Cl)s2)c1 ZINC000002860109 564013454 /nfs/dbraw/zinc/01/34/54/564013454.db2.gz JVVOZEBGAIMALF-UHFFFAOYSA-N 0 0 346.839 4.991 50 0 EJAARN Cc1ccc(C(=O)N2CCCC[C@H](c3ccc(F)cc3)C2)cc1F ZINC000206875046 564015309 /nfs/dbraw/zinc/01/53/09/564015309.db2.gz SMRMGJSSXRWWAJ-KRWDZBQOSA-N 0 0 329.390 4.683 50 0 EJAARN CCOc1ccc(-c2cc3cc(OC)c(OC)cc3c(CC)n2)cc1 ZINC000000485541 564017020 /nfs/dbraw/zinc/01/70/20/564017020.db2.gz GAAZOWIJAFCRHD-UHFFFAOYSA-N 0 0 337.419 4.880 50 0 biogenic EJAARN FC(F)(F)c1cccc(Br)c1N1CCC(F)(F)CC1 ZINC000169725665 564017193 /nfs/dbraw/zinc/01/71/93/564017193.db2.gz BHJLWPOCMVXARC-UHFFFAOYSA-N 0 0 344.121 4.703 50 0 EJAARN CC(=O)N(CC[C@]1(C(C)C)CCOC(C)(C)C1)Cc1ccccc1 ZINC000000489501 564017519 /nfs/dbraw/zinc/01/75/19/564017519.db2.gz PABJIANJXAGUDR-NRFANRHFSA-N 0 0 331.500 4.657 50 0 EJAARN COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(F)cc2F)cc1 ZINC000024392244 564017759 /nfs/dbraw/zinc/01/77/59/564017759.db2.gz FEBBFQNZQDYLRE-LJQANCHMSA-N 0 0 345.389 4.731 50 0 EJAARN Cc1ccc(Nc2ncc3c(n2)C[C@@H](c2ccc(F)cc2)CC3=O)cc1 ZINC000018177444 564018575 /nfs/dbraw/zinc/01/85/75/564018575.db2.gz CLSZSJFNMSPSQA-OAHLLOKOSA-N 0 0 347.393 4.580 50 0 EJAARN CC(C)(C)C(=O)Nc1c(=O)oc2ccccc2c1NC1CCCCC1 ZINC000101096611 564018994 /nfs/dbraw/zinc/01/89/94/564018994.db2.gz BJFGTYRFSHWHDO-UHFFFAOYSA-N 0 0 342.439 4.522 50 0 EJAARN COc1ccc2cc([C@H](C)C(=O)Nc3cc(F)cc(F)c3)ccc2c1 ZINC000018254779 564019002 /nfs/dbraw/zinc/01/90/02/564019002.db2.gz GYCZLCMPEXFRET-LBPRGKRZSA-N 0 0 341.357 4.869 50 0 EJAARN Clc1ccc(C2=Nn3cc(-c4ccccc4)nc3SC2)cc1 ZINC000005696277 564019149 /nfs/dbraw/zinc/01/91/49/564019149.db2.gz QCTQZHWLOPQSFR-UHFFFAOYSA-N 0 0 325.824 4.562 50 0 EJAARN C[C@H](c1ccccc1)N(C(=O)Nc1ccccc1)C1=NC[C@@H](C)S1 ZINC000000503376 564019176 /nfs/dbraw/zinc/01/91/76/564019176.db2.gz WRLMYLQCBSGTDJ-HUUCEWRRSA-N 0 0 339.464 4.773 50 0 EJAARN O[C@H](CNc1cccc2ccccc21)COc1ccc2ccccc2c1 ZINC000000504435 564019321 /nfs/dbraw/zinc/01/93/21/564019321.db2.gz FVIDRQIFCFSYNT-HXUWFJFHSA-N 0 0 343.426 4.845 50 0 EJAARN Cc1ccc(NC(=O)COc2ccccc2-c2ccccc2)cc1F ZINC000005702191 564019489 /nfs/dbraw/zinc/01/94/89/564019489.db2.gz MXMJKFRYVMGPOQ-UHFFFAOYSA-N 0 0 335.378 4.819 50 0 EJAARN CC1(C)[C@@H]2c3ccccc3C[C@@]2(S(=O)(=O)c2ccccc2)C1(C)C ZINC000005706008 564019579 /nfs/dbraw/zinc/01/95/79/564019579.db2.gz WJFYIFZVVFTGRR-RXVVDRJESA-N 0 0 340.488 4.605 50 0 EJAARN O=Cc1nc2ccc(Br)cc2c(-c2ccccc2Cl)n1 ZINC000000507914 564019763 /nfs/dbraw/zinc/01/97/63/564019763.db2.gz QASKIUOZZWHNPZ-UHFFFAOYSA-N 0 0 347.599 4.525 50 0 EJAARN Clc1cccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)c1 ZINC000000508190 564019856 /nfs/dbraw/zinc/01/98/56/564019856.db2.gz AFLSAAWIHBWHFS-UHFFFAOYSA-N 0 0 346.777 4.882 50 0 EJAARN O=c1c2ccccc2nc(-c2ccco2)n1-c1ccc2ccccc2c1 ZINC000000509572 564019878 /nfs/dbraw/zinc/01/98/78/564019878.db2.gz FVMKAQBWMPXSJY-UHFFFAOYSA-N 0 0 338.366 4.799 50 0 EJAARN Cc1cccc(C(=O)Nc2ccc3c(c2)ncn3-c2ccccc2)c1 ZINC000000520018 564020509 /nfs/dbraw/zinc/02/05/09/564020509.db2.gz HLSCGWIYJSSLSA-UHFFFAOYSA-N 0 0 327.387 4.586 50 0 EJAARN COc1cc2c(cc1OC)C(c1ccc(Cl)cc1)=NC(C)(C)C2 ZINC000000519468 564020538 /nfs/dbraw/zinc/02/05/38/564020538.db2.gz VNLSVJYUZWXTAM-UHFFFAOYSA-N 0 0 329.827 4.529 50 0 biogenic EJAARN COc1ccccc1NC(=O)C[C@H](c1ccco1)c1ccc(F)cc1 ZINC000000521645 564021066 /nfs/dbraw/zinc/02/10/66/564021066.db2.gz CUTDXMHGDWDDPR-INIZCTEOSA-N 0 0 339.366 4.588 50 0 EJAARN CCSc1nc2ccc(NC(=O)CCc3ccccc3)cc2s1 ZINC000000533086 564021967 /nfs/dbraw/zinc/02/19/67/564021967.db2.gz CQPGURCLTLTKSC-UHFFFAOYSA-N 0 0 342.489 4.980 50 0 EJAARN FC(F)(F)c1cccc(CNc2ncnc3c4ccccc4[nH]c32)c1 ZINC000000534089 564022017 /nfs/dbraw/zinc/02/20/17/564022017.db2.gz WNPDAVOOGSNEII-UHFFFAOYSA-N 0 0 342.324 4.742 50 0 EJAARN COc1ccc(-n2cnc3cc(NCc4cccs4)ccc32)cc1 ZINC000000536333 564022160 /nfs/dbraw/zinc/02/21/60/564022160.db2.gz TVVQLBGZRZUAEN-UHFFFAOYSA-N 0 0 335.432 4.708 50 0 EJAARN Clc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NO2)cc1 ZINC000000545249 564022675 /nfs/dbraw/zinc/02/26/75/564022675.db2.gz JDCIEBBDAPRBOG-HNNXBMFYSA-N 0 0 336.616 4.968 50 0 EJAARN CC(C)Oc1ccc([C@H](CC(=O)Nc2nccs2)C(C)C)cc1 ZINC000000553282 564022955 /nfs/dbraw/zinc/02/29/55/564022955.db2.gz WSTLLHGYYSJOTH-MRXNPFEDSA-N 0 0 332.469 4.699 50 0 EJAARN O=C(n1nc(-c2ccccc2)cc1-c1ccccc1)N1CCCCC1 ZINC000000552939 564023023 /nfs/dbraw/zinc/02/30/23/564023023.db2.gz QORCLELQDNEVDR-UHFFFAOYSA-N 0 0 331.419 4.671 50 0 EJAARN CCOc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000000559722 564023148 /nfs/dbraw/zinc/02/31/48/564023148.db2.gz WIIGAFHCQJKUGB-UHFFFAOYSA-N 0 0 338.451 4.574 50 0 EJAARN Cc1ccc(OCC(=O)Nc2nc3ccc(Cl)cc3s2)c(C)c1 ZINC000000569330 564023515 /nfs/dbraw/zinc/02/35/15/564023515.db2.gz RGZHPSYEILUMEM-UHFFFAOYSA-N 0 0 346.839 4.584 50 0 EJAARN C[C@@H]1CCC[C@H](NC(=O)CCSCc2ccc(Cl)cc2)[C@H]1C ZINC000103889457 564024019 /nfs/dbraw/zinc/02/40/19/564024019.db2.gz REVIGAMHFTYXHP-KEYYUXOJSA-N 0 0 339.932 4.904 50 0 EJAARN C=CN1CCC(Sc2ccccc2)(Sc2ccccc2)C1=O ZINC000005725903 564024038 /nfs/dbraw/zinc/02/40/38/564024038.db2.gz MGWQIIBACHJQOG-UHFFFAOYSA-N 0 0 327.474 4.643 50 0 EJAARN COc1ccc(C(=O)N(Cc2ccccc2)c2cccc(C)c2)cc1 ZINC000000577181 564024202 /nfs/dbraw/zinc/02/42/02/564024202.db2.gz XGGZVHWYCSXYTL-UHFFFAOYSA-N 0 0 331.415 4.851 50 0 EJAARN C[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1cccc(Cl)c1 ZINC000015562056 564024239 /nfs/dbraw/zinc/02/42/39/564024239.db2.gz PROWQOLDGBZTMZ-CYBMUJFWSA-N 0 0 326.827 4.631 50 0 EJAARN C[C@H](SC/C=C/c1ccccc1)C(=O)Nc1cc(F)ccc1F ZINC000015493867 564024258 /nfs/dbraw/zinc/02/42/58/564024258.db2.gz YOOUXYKOEUIYNV-LJLILKBBSA-N 0 0 333.403 4.738 50 0 EJAARN CCOc1ccc(-c2cc(C(=O)Nc3cccc(C(C)C)c3)n[nH]2)cc1 ZINC000051315401 564024263 /nfs/dbraw/zinc/02/42/63/564024263.db2.gz MSJMMSDPALKJAQ-UHFFFAOYSA-N 0 0 349.434 4.851 50 0 EJAARN O=C(Nc1ccc(SC(F)F)cc1)c1nc(Cl)ccc1Cl ZINC000015627351 564024292 /nfs/dbraw/zinc/02/42/92/564024292.db2.gz GPXDQCNYOGVVFD-UHFFFAOYSA-N 0 0 349.189 4.955 50 0 EJAARN Cc1ccccc1N(C(=O)c1csc(-c2ccccn2)n1)C(C)C ZINC000105582700 564025265 /nfs/dbraw/zinc/02/52/65/564025265.db2.gz FOANRZCGTHHQHZ-UHFFFAOYSA-N 0 0 337.448 4.569 50 0 EJAARN Cc1ccccc1-c1noc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)n1 ZINC000046913945 564025511 /nfs/dbraw/zinc/02/55/11/564025511.db2.gz ZUUPUAMTAHGXFQ-UHFFFAOYSA-N 0 0 336.782 4.756 50 0 EJAARN CC(C)c1ccc(-c2nc(COC(=O)c3ccncc3)cs2)cc1 ZINC000005750930 564025832 /nfs/dbraw/zinc/02/58/32/564025832.db2.gz JMJWHERYVLRKDJ-UHFFFAOYSA-N 0 0 338.432 4.686 50 0 EJAARN Cc1ccc2c(c1)-c1c3ccccc3nc(N3CCOCC3)c1CS2 ZINC000005750731 564025849 /nfs/dbraw/zinc/02/58/49/564025849.db2.gz MUQKXNKDEQVGLO-UHFFFAOYSA-N 0 0 348.471 4.653 50 0 EJAARN C[C@@H](c1ccccn1)N(C(=O)Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000047177974 564025853 /nfs/dbraw/zinc/02/58/53/564025853.db2.gz XOWJYZZVFQPBPI-LBPRGKRZSA-N 0 0 349.261 4.683 50 0 EJAARN O[C@@H](COC[C@H]1CC=CCC1)Cn1c2ccccc2c2ccccc21 ZINC000003121246 564026128 /nfs/dbraw/zinc/02/61/28/564026128.db2.gz JCAQBGZQFFLPRA-ZWKOTPCHSA-N 0 0 335.447 4.528 50 0 EJAARN 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CCN(CC)c1ccc(NC(=O)CNc2ccc3ccccc3c2)cc1 ZINC000005934617 564057098 /nfs/dbraw/zinc/05/70/98/564057098.db2.gz JKALMVUVEMGQOG-UHFFFAOYSA-N 0 0 347.462 4.737 50 0 EJAARN C[C@@H](c1ccccc1)N(C)C(=O)Cc1csc(-c2ccsc2)n1 ZINC000025615316 564057375 /nfs/dbraw/zinc/05/73/75/564057375.db2.gz QTDIJYGWFVHYNB-ZDUSSCGKSA-N 0 0 342.489 4.634 50 0 EJAARN Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)cs2)c1 ZINC000005971949 564057403 /nfs/dbraw/zinc/05/74/03/564057403.db2.gz ATSLOACEJCRJPA-UHFFFAOYSA-N 0 0 340.473 4.849 50 0 EJAARN Cc1noc(C)c1NC(=O)c1ccccc1Nc1cccc(C)c1C ZINC000063447548 564057487 /nfs/dbraw/zinc/05/74/87/564057487.db2.gz PVQIIPPFHSSPKA-UHFFFAOYSA-N 0 0 335.407 4.904 50 0 EJAARN Clc1cccc(Cl)c1SCc1nnc(-c2ccco2)o1 ZINC000006000237 564057517 /nfs/dbraw/zinc/05/75/17/564057517.db2.gz XNIOFNMTSMXZKY-UHFFFAOYSA-N 0 0 327.192 4.929 50 0 EJAARN Cc1ccc2[nH]c(SCC(=O)Nc3c(C)cc(C)cc3C)nc2c1 ZINC000006017029 564057614 /nfs/dbraw/zinc/05/76/14/564057614.db2.gz JMQOWCSBQNVORC-UHFFFAOYSA-N 0 0 339.464 4.527 50 0 EJAARN Fc1ccc(CSc2nnc(NCc3ccccc3)s2)cc1 ZINC000006029611 564057669 /nfs/dbraw/zinc/05/76/69/564057669.db2.gz CSAGVPRNUISJHJ-UHFFFAOYSA-N 0 0 331.441 4.582 50 0 EJAARN CC[C@@H](C)c1ccc(NCCC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000006026740 564057705 /nfs/dbraw/zinc/05/77/05/564057705.db2.gz XMJNBNWOYODSSI-CQSZACIVSA-N 0 0 325.408 4.614 50 0 EJAARN Clc1ccc(Cl)c([C@H](NCc2ncccn2)c2ccccc2)c1 ZINC000190398568 564057994 /nfs/dbraw/zinc/05/79/94/564057994.db2.gz XLJOYUKGJIUBKF-GOSISDBHSA-N 0 0 344.245 4.663 50 0 EJAARN CC(C)(C)C(=O)Nc1ccc(-c2cn3cc(Cl)ccc3n2)cc1 ZINC000012529558 564058205 /nfs/dbraw/zinc/05/82/05/564058205.db2.gz KICAMWSISSHZGN-UHFFFAOYSA-N 0 0 327.815 4.639 50 0 EJAARN COc1ccc(CC(=O)Nc2ccccc2Nc2ccccc2)cc1 ZINC000012533133 564058349 /nfs/dbraw/zinc/05/83/49/564058349.db2.gz LYZUHVQUXCMJBI-UHFFFAOYSA-N 0 0 332.403 4.620 50 0 EJAARN Cc1c(-c2ccc(NC(=O)C(C)(C)C)cc2)nc2ccc(Cl)cn12 ZINC000012540750 564058661 /nfs/dbraw/zinc/05/86/61/564058661.db2.gz FZSHHMWKKMYSOT-UHFFFAOYSA-N 0 0 341.842 4.948 50 0 EJAARN O=C(Nc1cc(Cl)cc2cccnc21)c1ccc(F)cc1Cl ZINC000012546211 564058858 /nfs/dbraw/zinc/05/88/58/564058858.db2.gz JUWQJHPOJFHCOC-UHFFFAOYSA-N 0 0 335.165 4.933 50 0 EJAARN COc1ccc2c(C)cc(SCC(=O)c3ccccc3F)nc2c1 ZINC000012546997 564058959 /nfs/dbraw/zinc/05/89/59/564058959.db2.gz KHAFDFXZDPWPFH-UHFFFAOYSA-N 0 0 341.407 4.666 50 0 EJAARN C[C@H]1CCCN(C(=O)c2cc(-c3cccs3)nc3ccccc32)C1 ZINC000003294316 564059126 /nfs/dbraw/zinc/05/91/26/564059126.db2.gz XECIMUVJDYQHCB-AWEZNQCLSA-N 0 0 336.460 4.835 50 0 EJAARN CC(C)c1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 ZINC000012574363 564059943 /nfs/dbraw/zinc/05/99/43/564059943.db2.gz RKQWTHASFAOVEK-LJQANCHMSA-N 0 0 333.435 4.664 50 0 EJAARN O=C(NCCSC1CCCC1)Nc1ccc2oc(C3CC3)nc2c1 ZINC000044308222 564059958 /nfs/dbraw/zinc/05/99/58/564059958.db2.gz CCOYXHBYAYYEBP-UHFFFAOYSA-N 0 0 345.468 4.503 50 0 EJAARN O=C(c1cccc(Cl)c1)N(Cc1ccsc1)CC(F)(F)F ZINC000044447487 564060110 /nfs/dbraw/zinc/06/01/10/564060110.db2.gz IGWNREROKSZICA-UHFFFAOYSA-N 0 0 333.762 4.606 50 0 EJAARN CCCN(Cc1ccsc1)C(=O)Nc1cc(Cl)ccc1OC ZINC000044447410 564060111 /nfs/dbraw/zinc/06/01/11/564060111.db2.gz TUIMODCDCKCALW-UHFFFAOYSA-N 0 0 338.860 4.854 50 0 EJAARN C[C@H](SCc1cccc(Cl)c1)C(=O)Nc1ccc(F)cc1F ZINC000012591737 564060228 /nfs/dbraw/zinc/06/02/28/564060228.db2.gz JNZOLBLDNCANHC-JTQLQIEISA-N 0 0 341.810 4.879 50 0 EJAARN CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)no1 ZINC000003833983 564060270 /nfs/dbraw/zinc/06/02/70/564060270.db2.gz LPEKZMUSADNNSA-UHFFFAOYSA-N 0 0 328.199 4.923 50 0 EJAARN Cc1cccc2nc(-c3ccsc3)c(Nc3ccc4c(c3)OCO4)n21 ZINC000003911534 564060354 /nfs/dbraw/zinc/06/03/54/564060354.db2.gz ADKGRECJYYMOPY-UHFFFAOYSA-N 0 0 349.415 4.844 50 0 EJAARN O=C(CCc1ncc(-c2ccccc2F)o1)Nc1cccc(Cl)c1 ZINC000012619945 564060720 /nfs/dbraw/zinc/06/07/20/564060720.db2.gz SKQADFVBKLGDPE-UHFFFAOYSA-N 0 0 344.773 4.705 50 0 EJAARN CCn1c(C)cc2cc(NC(=O)N(C)[C@H](C)c3ccco3)ccc21 ZINC000299770236 564060779 /nfs/dbraw/zinc/06/07/79/564060779.db2.gz OHGUHJJYNLVKHQ-CQSZACIVSA-N 0 0 325.412 4.788 50 0 EJAARN Cc1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c(C)c1 ZINC000015318670 564060852 /nfs/dbraw/zinc/06/08/52/564060852.db2.gz FDPJEFJVSGEEDZ-UHFFFAOYSA-N 0 0 339.366 4.867 50 0 EJAARN CC[C@@H]1C=CCN1C(=O)c1cccc(-c2cnc(C(C)C)s2)c1 ZINC000534637747 564061380 /nfs/dbraw/zinc/06/13/80/564061380.db2.gz NVDYTMQBHYSPAJ-MRXNPFEDSA-N 0 0 326.465 4.724 50 0 EJAARN CC(C)c1ccc(-c2ccc(C(=O)N(C)[C@H](C)c3ccco3)cc2)nn1 ZINC000534639973 564061393 /nfs/dbraw/zinc/06/13/93/564061393.db2.gz OSVKKHBVSLXWCB-OAHLLOKOSA-N 0 0 349.434 4.693 50 0 EJAARN CC(C)c1ccc(-c2ccc(C(=O)N(C)[C@@H](C)c3ccco3)cc2)nn1 ZINC000534639972 564061415 /nfs/dbraw/zinc/06/14/15/564061415.db2.gz OSVKKHBVSLXWCB-HNNXBMFYSA-N 0 0 349.434 4.693 50 0 EJAARN O=C1C[C@@H](c2ccco2)c2cn(Cc3ccccc3)c3cccc(c23)N1 ZINC000263586068 564061518 /nfs/dbraw/zinc/06/15/18/564061518.db2.gz POKLXUIHFXWENG-MRXNPFEDSA-N 0 0 342.398 4.757 50 0 biogenic EJAARN O=C(C[C@@H](c1cccc2ccccc21)n1cccc1)Nc1nccs1 ZINC000263588303 564061888 /nfs/dbraw/zinc/06/18/88/564061888.db2.gz ROJZPDCJVICDQX-SFHVURJKSA-N 0 0 347.443 4.716 50 0 EJAARN CC(C)(C)c1cnc(CSc2nnc3sc4ccccc4n23)o1 ZINC000078383605 564061972 /nfs/dbraw/zinc/06/19/72/564061972.db2.gz YRBMJMPLMJMLNI-UHFFFAOYSA-N 0 0 344.465 4.522 50 0 EJAARN CC(C)C(NC(=O)CSCc1c(F)cccc1Cl)C(C)C ZINC000078582546 564062066 /nfs/dbraw/zinc/06/20/66/564062066.db2.gz JBGCRVQQUGOLMU-UHFFFAOYSA-N 0 0 331.884 4.509 50 0 EJAARN FC(F)(F)c1cnc(SCc2cn3ccsc3n2)c(Cl)c1 ZINC000012659265 564062508 /nfs/dbraw/zinc/06/25/08/564062508.db2.gz NVWKGYFGPLXLQF-UHFFFAOYSA-N 0 0 349.790 4.755 50 0 EJAARN O=C(Nc1nc2ccc(F)cc2s1)c1cccc(Cl)c1Cl ZINC000001268812 564062795 /nfs/dbraw/zinc/06/27/95/564062795.db2.gz ZEXQEQGXZTXEDY-UHFFFAOYSA-N 0 0 341.194 4.995 50 0 EJAARN COc1cccc(CO[C@@H]2C[C@H](C)S[C@H]3C=CC(Cl)=C[C@@H]23)c1 ZINC000004110333 564062828 /nfs/dbraw/zinc/06/28/28/564062828.db2.gz TUBWQLBEFSFOMZ-BIMQEMHKSA-N 0 0 336.884 4.783 50 0 EJAARN O=C(Nc1ccc(-c2nccs2)cc1)N1CCC[C@H]1c1ccco1 ZINC000116478664 564062994 /nfs/dbraw/zinc/06/29/94/564062994.db2.gz GMBPWZDNJAQSSP-HNNXBMFYSA-N 0 0 339.420 4.772 50 0 EJAARN Cc1ccc(C)c(C(=O)COC(=O)c2cc3cc(F)ccc3s2)c1 ZINC000012691007 564063208 /nfs/dbraw/zinc/06/32/08/564063208.db2.gz FWHULKWXJAVLFZ-UHFFFAOYSA-N 0 0 342.391 4.697 50 0 EJAARN COc1cnc(-c2ccccc2)nc1Oc1ccc(Cl)cc1C ZINC000001383988 564064136 /nfs/dbraw/zinc/06/41/36/564064136.db2.gz ZJGBXIUOGSVXEJ-UHFFFAOYSA-N 0 0 326.783 4.906 50 0 EJAARN O=C(Nc1ccc(Oc2cnc3ccccc3n2)cc1)c1ccccc1 ZINC000001384811 564064144 /nfs/dbraw/zinc/06/41/44/564064144.db2.gz JQWGUJUDZWPHGB-UHFFFAOYSA-N 0 0 341.370 4.674 50 0 EJAARN Cc1ccc2[nH]c([C@@H](C)NC(=O)c3ccc(Cl)cc3Cl)nc2c1 ZINC000001385925 564064217 /nfs/dbraw/zinc/06/42/17/564064217.db2.gz GTLKMRJULPEDBB-SNVBAGLBSA-N 0 0 348.233 4.669 50 0 EJAARN CC(C)(C)[C@@H]1COc2ccccc2N1C(=O)c1cccc(Cl)c1 ZINC000001392397 564064561 /nfs/dbraw/zinc/06/45/61/564064561.db2.gz VASIBLKLOJMDAS-KRWDZBQOSA-N 0 0 329.827 4.794 50 0 EJAARN O=C(Nc1ccc(Cl)cc1)OCc1cc(-c2ccccc2)on1 ZINC000001394145 564064656 /nfs/dbraw/zinc/06/46/56/564064656.db2.gz OGXWTYKUBSJSHO-UHFFFAOYSA-N 0 0 328.755 4.744 50 0 aggregator EJAARN Cc1ccc(NC(=O)[C@H](C)n2c3ccccc3nc2C(F)(F)F)cc1 ZINC000001394811 564064662 /nfs/dbraw/zinc/06/46/62/564064662.db2.gz NCWMPCUJKALMBL-LBPRGKRZSA-N 0 0 347.340 4.563 50 0 EJAARN Cc1ccccc1NC(=O)[C@H](C)n1c2ccccc2nc1C(F)(F)F ZINC000001394815 564064675 /nfs/dbraw/zinc/06/46/75/564064675.db2.gz KLDMBDJHXMWNJW-LBPRGKRZSA-N 0 0 347.340 4.563 50 0 EJAARN c1coc(CNc2nnc(-c3ccc4c(c3)CCC4)c3ccccc32)c1 ZINC000001399566 564064855 /nfs/dbraw/zinc/06/48/55/564064855.db2.gz KTIXPIGUCRAGIU-UHFFFAOYSA-N 0 0 341.414 4.991 50 0 EJAARN COc1ccc(OC)c2nc(-c3cccc(C(F)(F)F)c3)ccc12 ZINC000001395323 564064876 /nfs/dbraw/zinc/06/48/76/564064876.db2.gz CGIRDAVDOKYSCS-UHFFFAOYSA-N 0 0 333.309 4.938 50 0 EJAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(F)cc1F ZINC000001401143 564064941 /nfs/dbraw/zinc/06/49/41/564064941.db2.gz SGQRWZQPXWGTCH-UHFFFAOYSA-N 0 0 330.359 4.649 50 0 EJAARN Cc1c(-c2csc(Nc3ccc(Cl)cc3)n2)sc2ncnn12 ZINC000001401917 564065027 /nfs/dbraw/zinc/06/50/27/564065027.db2.gz JQUZCDFPWIIAGK-UHFFFAOYSA-N 0 0 347.856 4.620 50 0 EJAARN O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1ccc(F)cc1 ZINC000001404157 564065107 /nfs/dbraw/zinc/06/51/07/564065107.db2.gz PVFKUJRJTZCUOO-UHFFFAOYSA-N 0 0 332.806 4.722 50 0 EJAARN Cc1nn2c(nc(-c3ccc(Cl)o3)cc2C(F)(F)F)c1Cl ZINC000001403910 564065202 /nfs/dbraw/zinc/06/52/02/564065202.db2.gz QOQGNZBPXMKVDH-UHFFFAOYSA-N 0 0 336.100 4.623 50 0 EJAARN CCCCc1cc(C(=O)OCC(=O)c2ccccc2)c2ccccc2n1 ZINC000012747082 564065768 /nfs/dbraw/zinc/06/57/68/564065768.db2.gz XUXOOBDTUYPNDZ-UHFFFAOYSA-N 0 0 347.414 4.617 50 0 EJAARN Cc1nc(SCc2nc(-c3cccs3)no2)n(CC(C)C)c1C ZINC000084051879 564065959 /nfs/dbraw/zinc/06/59/59/564065959.db2.gz KRHGCMOFDNFCNJ-UHFFFAOYSA-N 0 0 348.497 4.560 50 0 EJAARN CC(=O)Nc1c(C)cc(NC(=O)N2CCCC[C@H]2CC(C)C)cc1C ZINC000084086153 564066293 /nfs/dbraw/zinc/06/62/93/564066293.db2.gz SAGSTMKDSKRIKV-SFHVURJKSA-N 0 0 345.487 4.694 50 0 EJAARN O=C1C(Nc2ccc(F)cc2)=C2CCCC=C2N1c1ccc(F)cc1 ZINC000001423030 564066679 /nfs/dbraw/zinc/06/66/79/564066679.db2.gz JRCXRMJENMJVHH-UHFFFAOYSA-N 0 0 338.357 4.745 50 0 EJAARN C[C@]12c3[nH]c4ccc(Cl)cc4c3CCN1C(=O)OC21CCCCC1 ZINC000001431820 564066988 /nfs/dbraw/zinc/06/69/88/564066988.db2.gz IKGDXTBFOPJQBM-GOSISDBHSA-N 0 0 344.842 4.748 50 0 EJAARN O=C(Nc1ccccc1Cl)c1cccc(OCc2cscn2)c1 ZINC000012754934 564067208 /nfs/dbraw/zinc/06/72/08/564067208.db2.gz UIASSOMVXKVRQC-UHFFFAOYSA-N 0 0 344.823 4.628 50 0 EJAARN Cc1ccccc1-c1noc(CNc2cccc(OC3CCCC3)c2)n1 ZINC000084247702 564067511 /nfs/dbraw/zinc/06/75/11/564067511.db2.gz DSWLUUDXEOLJCI-UHFFFAOYSA-N 0 0 349.434 4.979 50 0 EJAARN Cc1nc2scc(-c3ccccc3)c2c(NCc2ccc(O)cc2)n1 ZINC000084271664 564067625 /nfs/dbraw/zinc/06/76/25/564067625.db2.gz JRBMOUHEKUMULA-UHFFFAOYSA-N 0 0 347.443 4.984 50 0 EJAARN O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC[C@@H]1c1ccsc1 ZINC000084340898 564067856 /nfs/dbraw/zinc/06/78/56/564067856.db2.gz MOQBDTFZBDWVPA-CQSZACIVSA-N 0 0 343.345 4.883 50 0 EJAARN CC(C)[C@@H](Sc1ncccc1Cl)C(=O)NC1CCCCCC1 ZINC000084409085 564068071 /nfs/dbraw/zinc/06/80/71/564068071.db2.gz YCEHUQMTUWMHDB-OAHLLOKOSA-N 0 0 340.920 4.691 50 0 EJAARN Fc1ccc(CN(Cc2csc(-c3ccco3)n2)C2CC2)cc1 ZINC000012767229 564068129 /nfs/dbraw/zinc/06/81/29/564068129.db2.gz DXXKEIYIMDKEDB-UHFFFAOYSA-N 0 0 328.412 4.707 50 0 EJAARN COc1ccccc1CN(C)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000012768627 564068412 /nfs/dbraw/zinc/06/84/12/564068412.db2.gz XXVCAKLEQKODFR-UHFFFAOYSA-N 0 0 342.826 4.636 50 0 EJAARN CCc1ccc(NC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)cc1 ZINC000012770520 564068854 /nfs/dbraw/zinc/06/88/54/564068854.db2.gz TZNBAFIYWQFUOI-UHFFFAOYSA-N 0 0 349.430 4.544 50 0 EJAARN O=C(c1cccc2ccccc21)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000084598254 564068988 /nfs/dbraw/zinc/06/89/88/564068988.db2.gz NVWIDDJRJKSVPN-LJQANCHMSA-N 0 0 333.406 4.826 50 0 EJAARN CC(C)c1ccsc1C(=O)O[C@@H](C)c1nnc(-c2cccs2)o1 ZINC000084630681 564069208 /nfs/dbraw/zinc/06/92/08/564069208.db2.gz AQBBLBWHQSHQFW-JTQLQIEISA-N 0 0 348.449 4.901 50 0 EJAARN C[C@@H](NC(=S)N1CCC[C@H]1c1cccc(F)c1)c1ccccc1 ZINC000084656601 564069380 /nfs/dbraw/zinc/06/93/80/564069380.db2.gz BLBAFQKAHLSWPG-KDOFPFPSSA-N 0 0 328.456 4.598 50 0 EJAARN C[C@H](c1ccc2ccccc2c1)N(Cc1ncc(Cl)n1C)C1CC1 ZINC000084651807 564069384 /nfs/dbraw/zinc/06/93/84/564069384.db2.gz YJAWTYOLPAUZHM-CQSZACIVSA-N 0 0 339.870 4.952 50 0 EJAARN C[C@H](NC(=O)N(C)[C@@H]1CCc2ccccc21)c1ccc2c(c1)CCCC2 ZINC000084651753 564069387 /nfs/dbraw/zinc/06/93/87/564069387.db2.gz LTZHVWHWMAGPDX-KSFYIVLOSA-N 0 0 348.490 4.955 50 0 EJAARN C[C@H](Nc1nccc(C(F)(F)F)n1)c1ccccc1C(F)(F)F ZINC000084660547 564069482 /nfs/dbraw/zinc/06/94/82/564069482.db2.gz HUTWZAUEDLMZQZ-QMMMGPOBSA-N 0 0 335.251 4.687 50 0 EJAARN C[C@@H]1CCCN(C(=O)N[C@H](c2cc3ccccc3o2)c2ccccc2)C1 ZINC000084697468 564069638 /nfs/dbraw/zinc/06/96/38/564069638.db2.gz JDKXIXWXHOYWSX-IERDGZPVSA-N 0 0 348.446 4.964 50 0 EJAARN O=C(OCc1cc(-c2ccccc2)no1)C12CC3CC(CC(C3)C1)C2 ZINC000012782537 564070091 /nfs/dbraw/zinc/07/00/91/564070091.db2.gz YRNSJZMTUPTUCW-UHFFFAOYSA-N 0 0 337.419 4.601 50 0 EJAARN C[C@@H](NC(=O)c1cc(Br)ccc1Cl)c1cccs1 ZINC000012784910 564070234 /nfs/dbraw/zinc/07/02/34/564070234.db2.gz PKAQBHGRYNCJIG-MRVPVSSYSA-N 0 0 344.661 4.655 50 0 EJAARN C[C@H](NC(=O)C1c2ccccc2Oc2ccccc21)c1ccccc1F ZINC000012786225 564070303 /nfs/dbraw/zinc/07/03/03/564070303.db2.gz TUJYQAWYPVYONE-AWEZNQCLSA-N 0 0 347.389 4.941 50 0 EJAARN CC(C)c1nc([C@H](C)NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)cs1 ZINC000074160088 564070410 /nfs/dbraw/zinc/07/04/10/564070410.db2.gz BBUQAZZAZYJWQI-NILFDRSVSA-N 0 0 348.899 4.901 50 0 EJAARN Cc1cc(CN[C@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)on1 ZINC000184949922 564070774 /nfs/dbraw/zinc/07/07/74/564070774.db2.gz IJESCCQRVNGLED-LLVKDONJSA-N 0 0 347.871 4.919 50 0 EJAARN CCc1ccccc1NC(=O)CSc1cc(C)c2ccccc2n1 ZINC000011903133 564072948 /nfs/dbraw/zinc/07/29/48/564072948.db2.gz ICMOLTCKRVWMLX-UHFFFAOYSA-N 0 0 336.460 4.836 50 0 EJAARN O=C(CSc1cc(-c2ccccc2)ncn1)c1cc2ccccc2o1 ZINC000011903032 564072949 /nfs/dbraw/zinc/07/29/49/564072949.db2.gz GFQDHRPNTPCDTG-UHFFFAOYSA-N 0 0 346.411 4.865 50 0 EJAARN COc1ccc(Nc2nnc(SCc3ccccc3C)s2)cc1 ZINC000006058398 564073155 /nfs/dbraw/zinc/07/31/55/564073155.db2.gz ADGIJXZIGHKFMM-UHFFFAOYSA-N 0 0 343.477 4.891 50 0 EJAARN Cc1nc(-c2cccs2)sc1CNC(=O)Nc1cccs1 ZINC000085470975 564073400 /nfs/dbraw/zinc/07/34/00/564073400.db2.gz HMFDAWDOVRPGGW-UHFFFAOYSA-N 0 0 335.479 4.563 50 0 EJAARN Cc1ccccc1NC(=O)N1CCC(CSCc2ccco2)CC1 ZINC000085472500 564073457 /nfs/dbraw/zinc/07/34/57/564073457.db2.gz QDPWEYVADHEJII-UHFFFAOYSA-N 0 0 344.480 4.765 50 0 EJAARN O=C(NC(c1ccccc1)c1ccccc1)C1(c2ccccc2)CC1 ZINC000006085037 564073674 /nfs/dbraw/zinc/07/36/74/564073674.db2.gz UXTYTQOIIBHCJR-UHFFFAOYSA-N 0 0 327.427 4.624 50 0 EJAARN CCN(C(=O)c1ccc(F)cc1F)c1nc2c(cccc2C)s1 ZINC000006084340 564073700 /nfs/dbraw/zinc/07/37/00/564073700.db2.gz USKIZXCCRKMIFK-UHFFFAOYSA-N 0 0 332.375 4.550 50 0 EJAARN 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CCc1sc(C(=O)OCc2ncc(-c3ccccc3)o2)cc1C ZINC000006432652 564086742 /nfs/dbraw/zinc/08/67/42/564086742.db2.gz KMCACWXATSNVCS-UHFFFAOYSA-N 0 0 327.405 4.631 50 0 EJAARN O=C(Nc1nc(-c2cccs2)cs1)c1ccc(Cl)cc1F ZINC000013012909 564086771 /nfs/dbraw/zinc/08/67/71/564086771.db2.gz YYTPTGNCRQLHFD-UHFFFAOYSA-N 0 0 338.816 4.916 50 0 EJAARN CC[C@H]([NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1)c1c(C)noc1C ZINC000090886533 564086931 /nfs/dbraw/zinc/08/69/31/564086931.db2.gz DAVNJCKUTULPKH-DJJJIMSYSA-N 0 0 338.455 4.587 50 0 EJAARN CCc1nc2cc(-c3noc(Cc4c[nH]c5ccccc45)n3)ccc2o1 ZINC000075488055 564087067 /nfs/dbraw/zinc/08/70/67/564087067.db2.gz XGXCUDUMYHNPFB-UHFFFAOYSA-N 0 0 344.374 4.512 50 0 EJAARN O=C(NCc1ccnc(-c2cccs2)c1)c1ccc(F)cc1Cl ZINC000225650398 564087297 /nfs/dbraw/zinc/08/72/97/564087297.db2.gz ZWKPWTQOZLXSHE-UHFFFAOYSA-N 0 0 346.814 4.533 50 0 EJAARN Nc1nccc(-c2ccc(Oc3ccc(Cl)cc3)cc2Cl)n1 ZINC000002508448 564087387 /nfs/dbraw/zinc/08/73/87/564087387.db2.gz ALJPJGVHXSVUKL-UHFFFAOYSA-N 0 0 332.190 4.825 50 0 EJAARN Cc1noc(C2CC2)c1NC(=O)Nc1cccc(-c2nccs2)c1 ZINC000121887040 564087924 /nfs/dbraw/zinc/08/79/24/564087924.db2.gz OSVGURIPOOCHBL-UHFFFAOYSA-N 0 0 340.408 4.628 50 0 EJAARN CC(C)(C)[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000241644208 564088385 /nfs/dbraw/zinc/08/83/85/564088385.db2.gz PPDFDSUQCMHLLB-RRFJBIMHSA-N 0 0 333.438 5.030 50 0 EJAARN O=C(Nc1ccc(F)cc1)[C@H]1[C@@H]2CC[C@@H]3[C@H](CC[C@@H]21)C3(Cl)Cl ZINC000245240206 564088646 /nfs/dbraw/zinc/08/86/46/564088646.db2.gz NLTXPOMUPHQBKJ-OYQDBORRSA-N 0 0 342.241 4.620 50 0 EJAARN CCc1c(C)sc2[nH]c(-c3ccc4[nH]c(C)c(C)c4c3)nc(=O)c12 ZINC000089282671 564088918 /nfs/dbraw/zinc/08/89/18/564088918.db2.gz LKKHTQSZRSTAJP-UHFFFAOYSA-N 0 0 337.448 4.621 50 0 EJAARN CCc1ccc([C@H](Nc2cc(Cl)nc(N)n2)c2cccs2)cc1 ZINC000089284796 564089209 /nfs/dbraw/zinc/08/92/09/564089209.db2.gz VCUAEOXTZRWKHJ-INIZCTEOSA-N 0 0 344.871 4.538 50 0 EJAARN C[C@H](N[C@H](C[C@H]1CCOC1)c1ccccc1)c1ncc(C(C)(C)C)o1 ZINC000248795621 564089307 /nfs/dbraw/zinc/08/93/07/564089307.db2.gz YUAZECNHUZQIIG-LZLYRXPVSA-N 0 0 342.483 4.791 50 0 EJAARN CCn1c(C)cc(C(=O)N(C)C(c2ccccc2)c2ccccc2)c1C ZINC000089300261 564089543 /nfs/dbraw/zinc/08/95/43/564089543.db2.gz LDSOEGLBPQWWGW-UHFFFAOYSA-N 0 0 346.474 4.986 50 0 EJAARN CN1CCCc2c(c3cc(F)ccc3n2CCc2ccc(F)cc2)C1 ZINC000075567532 564089546 /nfs/dbraw/zinc/08/95/46/564089546.db2.gz QFSJWBGPOQISGL-UHFFFAOYSA-N 0 0 340.417 4.540 50 0 EJAARN C[C@H](Sc1ccc(F)cc1F)C(=O)Nc1cccc2ncccc21 ZINC000026883447 564090290 /nfs/dbraw/zinc/09/02/90/564090290.db2.gz AEDBUKBHEQAYBT-NSHDSACASA-N 0 0 344.386 4.632 50 0 EJAARN CCCCCn1c2ccccc2nc1[C@H](Cc1ccccc1)NC(C)=O ZINC000001927012 564090293 /nfs/dbraw/zinc/09/02/93/564090293.db2.gz LIGYTMOJMOXDQB-FQEVSTJZSA-N 0 0 349.478 4.646 50 0 EJAARN COc1ccc(-c2coc3cc4oc(=O)c5c(c4cc32)CCC5)cc1 ZINC000000095279 564090424 /nfs/dbraw/zinc/09/04/24/564090424.db2.gz AFBPCSXZKVOCAC-UHFFFAOYSA-N 0 0 332.355 4.704 50 0 biogenic EJAARN Cc1ccc2c(c1)c1c3n2CC(=O)N([C@@H](C)c2ccccc2)[C@H]3CCC1 ZINC000000190448 564090463 /nfs/dbraw/zinc/09/04/63/564090463.db2.gz SVWIFMOPOCWQOQ-KKSFZXQISA-N 0 0 344.458 4.931 50 0 biogenic EJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H](CC)c1ccccc1 ZINC000000482820 564090526 /nfs/dbraw/zinc/09/05/26/564090526.db2.gz UPGNACKWEGQRBG-OAHLLOKOSA-N 0 0 345.464 4.674 50 0 EJAARN c1ccc(-c2ccccc2OCc2nnc([C@H]3CCCCO3)o2)cc1 ZINC000521393763 564090859 /nfs/dbraw/zinc/09/08/59/564090859.db2.gz FSHMHFIXOKEVGR-GOSISDBHSA-N 0 0 336.391 4.557 50 0 EJAARN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc([C@@H]2CCCCO2)o1 ZINC000521393891 564090866 /nfs/dbraw/zinc/09/08/66/564090866.db2.gz LBAGWRVEQPEEQK-OCCSQVGLSA-N 0 0 336.819 4.721 50 0 EJAARN O=C(CCC(=O)c1cccs1)Nc1ccc(Cl)c(Cl)c1 ZINC000006528197 564091445 /nfs/dbraw/zinc/09/14/45/564091445.db2.gz VTBHDPMCCCYPOV-UHFFFAOYSA-N 0 0 328.220 4.657 50 0 EJAARN CCN(C(=O)c1cc(Cl)ccc1OC)C12CC3CC(CC(C3)C1)C2 ZINC000006550037 564091900 /nfs/dbraw/zinc/09/19/00/564091900.db2.gz IKPZMLKBFVVTOF-UHFFFAOYSA-N 0 0 347.886 4.780 50 0 EJAARN O=C(CCSc1ccc(F)cc1)N[C@@H]1CCCc2ccccc21 ZINC000006543519 564091914 /nfs/dbraw/zinc/09/19/14/564091914.db2.gz CKSHIWBYXUUHSN-GOSISDBHSA-N 0 0 329.440 4.502 50 0 EJAARN COc1ccc(-c2csc(NC(=O)C3CCCC3)n2)cc1Cl ZINC000006544958 564091915 /nfs/dbraw/zinc/09/19/15/564091915.db2.gz IMRWHBIZFBGDNM-UHFFFAOYSA-N 0 0 336.844 4.601 50 0 EJAARN CC(=O)Nc1ccc(-c2nc(-c3ccco3)c(-c3ccco3)[nH]2)cc1 ZINC000006549877 564091920 /nfs/dbraw/zinc/09/19/20/564091920.db2.gz HNRJTOVPRZRADV-UHFFFAOYSA-N 0 0 333.347 4.555 50 0 EJAARN CC(=O)N1N=C(c2ccccc2Cl)O[C@@H]1c1ccc(C(C)C)cc1 ZINC000064567372 564092246 /nfs/dbraw/zinc/09/22/46/564092246.db2.gz DGWPJEUXLLRABN-LJQANCHMSA-N 0 0 342.826 4.703 50 0 EJAARN CC(=O)c1cc(-c2nc3ccccc3[nH]2)c(C)n2c3ccccc3nc12 ZINC000006589199 564092341 /nfs/dbraw/zinc/09/23/41/564092341.db2.gz BVOGOLNDGMBAPR-UHFFFAOYSA-N 0 0 340.386 4.542 50 0 EJAARN Cc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccncc4)=NN32)cc1 ZINC000006590528 564092463 /nfs/dbraw/zinc/09/24/63/564092463.db2.gz QMCSZZALGFYYNJ-RBBKRZOGSA-N 0 0 341.414 4.632 50 0 EJAARN Cc1ccc(-c2csc(NC(=O)Cc3ccc(C)c(C)c3)n2)o1 ZINC000006601587 564092669 /nfs/dbraw/zinc/09/26/69/564092669.db2.gz WWWKURYNVTVGFB-UHFFFAOYSA-N 0 0 326.421 4.510 50 0 EJAARN c1c(-c2ccccc2)sc2ncnc(SC[C@@H]3CCCO3)c12 ZINC000006602311 564092697 /nfs/dbraw/zinc/09/26/97/564092697.db2.gz YHCHTSMYBVKGPR-ZDUSSCGKSA-N 0 0 328.462 4.629 50 0 EJAARN Cc1cccc(NC(=O)Nc2c(-c3ccccc3)nc3ccccn32)c1 ZINC000064611151 564093145 /nfs/dbraw/zinc/09/31/45/564093145.db2.gz AWQVJLCKCIPXAT-UHFFFAOYSA-N 0 0 342.402 4.954 50 0 EJAARN Cc1nc(CSc2nc3ccccc3o2)c(Br)s1 ZINC000027029022 564093159 /nfs/dbraw/zinc/09/31/59/564093159.db2.gz JTFHCJIMCZAITK-UHFFFAOYSA-N 0 0 341.255 4.648 50 0 EJAARN COc1ccccc1[C@@H](C)NC(=O)c1ccc(-c2ccccc2F)o1 ZINC000006607954 564093207 /nfs/dbraw/zinc/09/32/07/564093207.db2.gz HPUZAPHQWZFOGT-CYBMUJFWSA-N 0 0 339.366 4.585 50 0 EJAARN COc1ccc2[nH]c(SCc3cccc(Br)c3)nc2c1 ZINC000006609348 564093269 /nfs/dbraw/zinc/09/32/69/564093269.db2.gz HXDIPFABKOJCOG-UHFFFAOYSA-N 0 0 349.253 4.626 50 0 EJAARN CSc1cccc(-c2ccccc2C(=O)N(C(C)C)C(C)C)n1 ZINC000426582786 564094136 /nfs/dbraw/zinc/09/41/36/564094136.db2.gz IAOHXQMIPYNYNP-UHFFFAOYSA-N 0 0 328.481 4.730 50 0 EJAARN C[C@H](NC(=O)N1CCC2(C=Cc3ccccc32)CC1)c1cccs1 ZINC000426707470 564094432 /nfs/dbraw/zinc/09/44/32/564094432.db2.gz SDGCCALUUVHASF-HNNXBMFYSA-N 0 0 338.476 4.579 50 0 EJAARN CC(C)CC(=O)Nc1c2ccccc2oc1C(=O)c1ccc(F)cc1 ZINC000006615889 564094520 /nfs/dbraw/zinc/09/45/20/564094520.db2.gz WNCRBPVQFXVFDX-UHFFFAOYSA-N 0 0 339.366 4.788 50 0 EJAARN COc1cc(-c2csc(-c3ccc(C)cc3)n2)cc(OC)c1OC ZINC000006638541 564094762 /nfs/dbraw/zinc/09/47/62/564094762.db2.gz ZTVXWJOLSWWGDW-UHFFFAOYSA-N 0 0 341.432 4.811 50 0 EJAARN Cc1nc(-c2ccc(-c3noc(-c4cccs4)n3)cc2)cs1 ZINC000064669049 564094999 /nfs/dbraw/zinc/09/49/99/564094999.db2.gz BUFNODYQJOSDRT-UHFFFAOYSA-N 0 0 325.418 4.897 50 0 EJAARN COc1ccc2oc(C(=O)Nc3cccc4cccnc43)c(C)c2c1 ZINC000006649434 564095103 /nfs/dbraw/zinc/09/51/03/564095103.db2.gz DXHQIFCFESCLLT-UHFFFAOYSA-N 0 0 332.359 4.550 50 0 EJAARN C[C@@H](Sc1nc2ccccc2[nH]1)c1nnc(-c2cccs2)o1 ZINC000006649686 564095161 /nfs/dbraw/zinc/09/51/61/564095161.db2.gz RPMFAUHYNVHVKT-SECBINFHSA-N 0 0 328.422 4.528 50 0 EJAARN CCc1nc(-c2ccc(C(=O)N(C)c3ccc(C)cc3)cc2)cs1 ZINC000064677511 564095385 /nfs/dbraw/zinc/09/53/85/564095385.db2.gz QBRVGUXKEGYBBI-UHFFFAOYSA-N 0 0 336.460 4.958 50 0 EJAARN COc1c2cc(F)ccc2sc1C(=O)NCc1ccc(Cl)cc1 ZINC000064756412 564095906 /nfs/dbraw/zinc/09/59/06/564095906.db2.gz LWIVBHUXQRSDPZ-UHFFFAOYSA-N 0 0 349.814 4.632 50 0 EJAARN COc1c(C(=O)NCc2ccc(Cl)cc2)sc2cccc(F)c21 ZINC000064756288 564095917 /nfs/dbraw/zinc/09/59/17/564095917.db2.gz SSEGQZGOGDNKOG-UHFFFAOYSA-N 0 0 349.814 4.632 50 0 EJAARN COc1c2cc(F)ccc2sc1C(=O)N[C@H](C)c1ccccc1 ZINC000064756435 564095918 /nfs/dbraw/zinc/09/59/18/564095918.db2.gz BLBKXYCMBHTIRQ-LLVKDONJSA-N 0 0 329.396 4.540 50 0 EJAARN COc1c2cc(Cl)ccc2sc1C(=O)NCc1ccc(F)cc1 ZINC000064756573 564095945 /nfs/dbraw/zinc/09/59/45/564095945.db2.gz TWOXVENAPCFZTB-UHFFFAOYSA-N 0 0 349.814 4.632 50 0 EJAARN COc1c2ccc(Cl)cc2sc1C(=O)NCc1ccc(F)cc1 ZINC000064756765 564095954 /nfs/dbraw/zinc/09/59/54/564095954.db2.gz NOAKUWPQORTIPJ-UHFFFAOYSA-N 0 0 349.814 4.632 50 0 EJAARN CC[C@H](C)NC(=O)C[C@@H](c1cn(C)c2ccccc12)c1ccc(C)cc1 ZINC000006724411 564096417 /nfs/dbraw/zinc/09/64/17/564096417.db2.gz KSERCXYTYDHOSG-FXAWDEMLSA-N 0 0 348.490 4.923 50 0 EJAARN Cc1ccnc(N2C(=O)c3ccccc3[C@@H]2Nc2cc(C)cc(C)c2)c1 ZINC000006737409 564096672 /nfs/dbraw/zinc/09/66/72/564096672.db2.gz PAQIAADVYCLOEJ-OAQYLSRUSA-N 0 0 343.430 4.778 50 0 EJAARN Cc1ccnc(N2C(=O)c3ccccc3[C@H]2Nc2cc(C)cc(C)c2)c1 ZINC000006737408 564096681 /nfs/dbraw/zinc/09/66/81/564096681.db2.gz PAQIAADVYCLOEJ-NRFANRHFSA-N 0 0 343.430 4.778 50 0 EJAARN Cc1ccsc1CN(Cc1ccco1)C(=O)c1ccc(C)cc1 ZINC000006747319 564096910 /nfs/dbraw/zinc/09/69/10/564096910.db2.gz IJJZCJLCZCFAKS-UHFFFAOYSA-N 0 0 325.433 4.801 50 0 EJAARN CCn1cc(CCCC(=O)NC[C@@H](C)c2ccccc2)c2ccccc21 ZINC000006782767 564097635 /nfs/dbraw/zinc/09/76/35/564097635.db2.gz QXIWXVHQGXEADA-GOSISDBHSA-N 0 0 348.490 4.904 50 0 EJAARN COc1ccc(Cl)cc1NC(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC000006784490 564097700 /nfs/dbraw/zinc/09/77/00/564097700.db2.gz CTZRMHXMWJHZQW-JTQLQIEISA-N 0 0 335.856 4.787 50 0 EJAARN CCCn1nc(NC(=O)C2CCCCC2)c2cc3ccccc3nc21 ZINC000006785554 564097719 /nfs/dbraw/zinc/09/77/19/564097719.db2.gz RNNJASMYGYNHRC-UHFFFAOYSA-N 0 0 336.439 4.513 50 0 EJAARN Cc1cccc(C)c1-n1c(SCC(C)C)nc2ccccc2c1=O ZINC000006787629 564097755 /nfs/dbraw/zinc/09/77/55/564097755.db2.gz PVKQHTVAMZOJGO-UHFFFAOYSA-N 0 0 338.476 4.751 50 0 EJAARN CCOc1ccc(NC(=O)CCCc2nc3ccccc3s2)cc1 ZINC000006788473 564097824 /nfs/dbraw/zinc/09/78/24/564097824.db2.gz PQBFBIFWBNVILY-UHFFFAOYSA-N 0 0 340.448 4.656 50 0 EJAARN COCc1c(C(=O)Nc2cc(F)ccc2C)sc2cccc(F)c21 ZINC000006789174 564097860 /nfs/dbraw/zinc/09/78/60/564097860.db2.gz WUPHVTSSDDNUHC-UHFFFAOYSA-N 0 0 347.386 4.887 50 0 EJAARN Cc1onc(-c2ccccc2)c1C(=O)Oc1ccc(Cl)cc1C ZINC000006790093 564097921 /nfs/dbraw/zinc/09/79/21/564097921.db2.gz WCSLEXLXRJIGCY-UHFFFAOYSA-N 0 0 327.767 4.831 50 0 EJAARN CC[C@H](C)NC(=O)c1c(C)c2c(n1Cc1ccccc1C)CCCC2 ZINC000006800881 564098223 /nfs/dbraw/zinc/09/82/23/564098223.db2.gz BBINHTKRKHUZLY-INIZCTEOSA-N 0 0 338.495 4.560 50 0 EJAARN CCCOc1ccc(C(=O)N(Cc2ccccc2)c2ccccn2)cc1 ZINC000006804379 564098318 /nfs/dbraw/zinc/09/83/18/564098318.db2.gz BIKWIDNVUMEBSG-UHFFFAOYSA-N 0 0 346.430 4.717 50 0 EJAARN O=C(c1ccccc1)N(Cc1ccco1)Cc1ccc(Cl)cc1 ZINC000006810560 564098501 /nfs/dbraw/zinc/09/85/01/564098501.db2.gz PQDUQOCJMPKPQJ-UHFFFAOYSA-N 0 0 325.795 4.776 50 0 EJAARN O=C(c1cccs1)N(Cc1ccco1)Cc1ccccc1Cl ZINC000006810619 564098535 /nfs/dbraw/zinc/09/85/35/564098535.db2.gz HXHFEEWYJXTABA-UHFFFAOYSA-N 0 0 331.824 4.837 50 0 EJAARN COc1ccc(-c2ccc(Nc3ccc(OC)c(Cl)c3)nn2)cc1 ZINC000006811561 564098631 /nfs/dbraw/zinc/09/86/31/564098631.db2.gz HWJRLALLPMQXHH-UHFFFAOYSA-N 0 0 341.798 4.558 50 0 EJAARN Cc1ccccc1NC(=O)N1CCn2cccc2[C@@H]1c1cccc(F)c1 ZINC000006816340 564098718 /nfs/dbraw/zinc/09/87/18/564098718.db2.gz QKOWLPZHKIOVKC-FQEVSTJZSA-N 0 0 349.409 4.573 50 0 EJAARN CCOC(=O)C(C)(c1c[nH]c2ccccc21)c1c[nH]c2ccccc21 ZINC000001691938 564099054 /nfs/dbraw/zinc/09/90/54/564099054.db2.gz JJYXPVIOPCTYAP-UHFFFAOYSA-N 0 0 332.403 4.518 50 0 EJAARN CC(C)c1ccc(CSc2nnc(NC(=O)C(C)(C)C)s2)cc1 ZINC000006838764 564099337 /nfs/dbraw/zinc/09/93/37/564099337.db2.gz DJYHVWDUACVWCK-UHFFFAOYSA-N 0 0 349.525 4.938 50 0 EJAARN Cc1ccc2c(c1)N(C(=O)Nc1ccc(F)c(Cl)c1)C[C@H](C)O2 ZINC000006842745 564099470 /nfs/dbraw/zinc/09/94/70/564099470.db2.gz LUOAWHXIQHDYNX-NSHDSACASA-N 0 0 334.778 4.607 50 0 EJAARN CC[C@H]1CN(C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2O1 ZINC000006843946 564099503 /nfs/dbraw/zinc/09/95/03/564099503.db2.gz YTQDFCUWEGSMGR-AWEZNQCLSA-N 0 0 330.815 4.858 50 0 EJAARN CC[C@@H]1CN(C(=O)Nc2cccc3c2CCCC3)c2ccccc2O1 ZINC000006845039 564099552 /nfs/dbraw/zinc/09/95/52/564099552.db2.gz 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/nfs/dbraw/zinc/10/01/46/564100146.db2.gz PKDQUQHMGNGXGO-UHFFFAOYSA-N 0 0 344.418 4.528 50 0 EJAARN CC[C@@H]1CN(C(=O)Nc2cc(F)ccc2F)c2ccccc2S1 ZINC000006877045 564100350 /nfs/dbraw/zinc/10/03/50/564100350.db2.gz GRSSRCXCEVSFPP-GFCCVEGCSA-N 0 0 334.391 4.888 50 0 EJAARN Fc1ccccc1CSc1nc2cccnc2n1Cc1ccccc1 ZINC000006877843 564100404 /nfs/dbraw/zinc/10/04/04/564100404.db2.gz HFNOOGNRYZFRHM-UHFFFAOYSA-N 0 0 349.434 4.911 50 0 EJAARN C[C@H]1CSC(N(C(=O)[C@@H]2CC=CCC2)c2ccc(Cl)cc2)=N1 ZINC000006880399 564100486 /nfs/dbraw/zinc/10/04/86/564100486.db2.gz DGZBAAFPOXFBTQ-QWHCGFSZSA-N 0 0 334.872 4.521 50 0 EJAARN c1ccc(-c2noc(-c3ccc(NC4CCCCCC4)nc3)n2)cc1 ZINC000065097764 564101056 /nfs/dbraw/zinc/10/10/56/564101056.db2.gz DTWUSLAPCGWXQE-UHFFFAOYSA-N 0 0 334.423 4.933 50 0 EJAARN CCn1c(C)c(C)c2cc(C(=O)NC[C@H](C)c3ccccc3)ccc21 ZINC000006912567 564101223 /nfs/dbraw/zinc/10/12/23/564101223.db2.gz ADLJCRNUUFCFND-HNNXBMFYSA-N 0 0 334.463 4.812 50 0 EJAARN CC(C)c1nc(-n2cccc2)sc1C(=O)Nc1ccc(F)c(F)c1 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HOOIMJQJOQDEGF-SNVBAGLBSA-N 0 0 349.477 4.678 50 0 EJAARN OCc1ccc(OCc2cccc3ccccc32)c(Br)c1 ZINC000000474495 564116714 /nfs/dbraw/zinc/11/67/14/564116714.db2.gz BWEICWLGPDXISC-UHFFFAOYSA-N 0 0 343.220 4.674 50 0 EJAARN O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCc2ccccc2C1 ZINC000000474876 564116736 /nfs/dbraw/zinc/11/67/36/564116736.db2.gz PVNZOWGGEVFJFK-SOFGYWHQSA-N 0 0 332.230 4.592 50 0 EJAARN Cc1ccc(C(=O)Nc2cccc(-c3cnc4ccccc4n3)c2)cc1 ZINC000002877903 564117090 /nfs/dbraw/zinc/11/70/90/564117090.db2.gz AUDMNFRPEZPOKT-UHFFFAOYSA-N 0 0 339.398 4.858 50 0 EJAARN CCn1c(SCc2cccc3ccccc32)nnc1-c1ccccn1 ZINC000000532353 564117889 /nfs/dbraw/zinc/11/78/89/564117889.db2.gz KNWZLOJBNBFDND-UHFFFAOYSA-N 0 0 346.459 4.806 50 0 EJAARN FC(F)(F)c1ccccc1NN=Cc1c(Cl)nc2sccn12 ZINC000252457415 564118596 /nfs/dbraw/zinc/11/85/96/564118596.db2.gz GZKIVXSFGSMEHI-UHFFFAOYSA-N 0 0 344.749 4.514 50 0 EJAARN O=C(Nc1ccc(Cl)c2ncsc21)c1ccc2ncsc2c1 ZINC000007598984 564118979 /nfs/dbraw/zinc/11/89/79/564118979.db2.gz MVYSPAKFTSRAED-UHFFFAOYSA-N 0 0 345.836 4.812 50 0 EJAARN O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1ccccc1F ZINC000007599256 564119030 /nfs/dbraw/zinc/11/90/30/564119030.db2.gz ZQRJTKURSNBWGI-UHFFFAOYSA-N 0 0 338.363 4.948 50 0 EJAARN C[C@@H](C(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1)c1ccccn1 ZINC000252481672 564119190 /nfs/dbraw/zinc/11/91/90/564119190.db2.gz CQFDISYUTQWOHM-SJORKVTESA-N 0 0 345.446 4.997 50 0 EJAARN CO[C@H](CNC(=O)c1cccc2ccccc21)c1ccc(Cl)s1 ZINC000225701701 564120703 /nfs/dbraw/zinc/12/07/03/564120703.db2.gz ZHGXBECWNFRKRZ-OAHLLOKOSA-N 0 0 345.851 4.672 50 0 EJAARN CC(=O)c1ccccc1NC(=O)C1c2ccccc2Oc2ccccc21 ZINC000007642664 564121494 /nfs/dbraw/zinc/12/14/94/564121494.db2.gz GMTNYWLHOHXAKO-UHFFFAOYSA-N 0 0 343.382 4.766 50 0 EJAARN Cc1ccc(-c2nc(COC(=O)c3c(F)cccc3F)cs2)cc1 ZINC000007651134 564121527 /nfs/dbraw/zinc/12/15/27/564121527.db2.gz DQZOIAXSCWNCLV-UHFFFAOYSA-N 0 0 345.370 4.754 50 0 EJAARN O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccccc1 ZINC000007670838 564121784 /nfs/dbraw/zinc/12/17/84/564121784.db2.gz PUAOPPPGTCHSNJ-UHFFFAOYSA-N 0 0 336.372 4.915 50 0 EJAARN CCN(CC)C(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1 ZINC000007718417 564122227 /nfs/dbraw/zinc/12/22/27/564122227.db2.gz HOAMIWBSUTYYHT-UHFFFAOYSA-N 0 0 343.279 4.528 50 0 EJAARN c1csc(-c2cc(CSc3n[nH]c(-c4cccs4)n3)no2)c1 ZINC000007725891 564122334 /nfs/dbraw/zinc/12/23/34/564122334.db2.gz URMMOWHAOVRTET-UHFFFAOYSA-N 0 0 346.462 4.542 50 0 EJAARN CCN(CC)C(=S)SCc1csc(-c2ccc(C)cc2)n1 ZINC000007735756 564122428 /nfs/dbraw/zinc/12/24/28/564122428.db2.gz DJZMTRZMFKXCOZ-UHFFFAOYSA-N 0 0 336.551 4.978 50 0 EJAARN Cc1nn2c(nc(NCc3ccc(F)cc3)c3ccccc32)c1Cl ZINC000007736630 564122484 /nfs/dbraw/zinc/12/24/84/564122484.db2.gz HSXFHGUNGXCVTQ-UHFFFAOYSA-N 0 0 340.789 4.596 50 0 EJAARN Fc1ccc(CSc2nc(C3CC3)n(-c3ccccc3)n2)cc1 ZINC000007736962 564122511 /nfs/dbraw/zinc/12/25/11/564122511.db2.gz KMNVRGRPXYHMHG-UHFFFAOYSA-N 0 0 325.412 4.576 50 0 EJAARN C[C@@H](Nc1cccc(OCc2cscn2)c1)c1cccc(O)c1 ZINC000194953380 564122643 /nfs/dbraw/zinc/12/26/43/564122643.db2.gz AXPLTDCYGHQAEL-CYBMUJFWSA-N 0 0 326.421 4.601 50 0 EJAARN CC(C)c1nc2ccc(N[C@@H](c3ncc[nH]3)c3cccnc3)cc2s1 ZINC000195107434 564122792 /nfs/dbraw/zinc/12/27/92/564122792.db2.gz MEZONYMEABUXDJ-QGZVFWFLSA-N 0 0 349.463 4.739 50 0 EJAARN COc1ccc(CC(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1 ZINC000007791601 564123424 /nfs/dbraw/zinc/12/34/24/564123424.db2.gz FSRIJEJAYGEDHM-UHFFFAOYSA-N 0 0 343.732 4.549 50 0 EJAARN COc1ccc(C)cc1CSc1nnc(-c2cccc(C)c2)o1 ZINC000007834397 564124156 /nfs/dbraw/zinc/12/41/56/564124156.db2.gz SQVSJSRKJYBCLD-UHFFFAOYSA-N 0 0 326.421 4.654 50 0 EJAARN COc1ccc2oc(=N)c(-c3nc(-c4ccccc4)cs3)cc2c1 ZINC000003898260 564125093 /nfs/dbraw/zinc/12/50/93/564125093.db2.gz VINCBWOXUJNOLC-UHFFFAOYSA-N 0 0 334.400 4.711 50 0 EJAARN Cc1nc2ccc3nc(NC(=O)c4cccs4)sc3c2s1 ZINC000000188296 564125136 /nfs/dbraw/zinc/12/51/36/564125136.db2.gz OTHYBYHPXNNFRX-UHFFFAOYSA-N 0 0 331.447 4.528 50 0 EJAARN CCCCSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccccc1 ZINC000002720647 564125246 /nfs/dbraw/zinc/12/52/46/564125246.db2.gz UPXROKDNJBPRLN-UHFFFAOYSA-N 0 0 349.459 4.759 50 0 EJAARN COc1ccc2sc(NC(=O)c3ccc4ccccc4c3)nc2c1 ZINC000019925310 564129099 /nfs/dbraw/zinc/12/90/99/564129099.db2.gz QMBMUGRKGMYJAY-UHFFFAOYSA-N 0 0 334.400 4.710 50 0 EJAARN CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3C(C)C)cc1 ZINC000025581591 564129146 /nfs/dbraw/zinc/12/91/46/564129146.db2.gz MVCYJMNPXVHRCD-FPOVZHCZSA-N 0 0 336.435 4.611 50 0 EJAARN CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000000110150 564130152 /nfs/dbraw/zinc/13/01/52/564130152.db2.gz LOUVUGFEHGEXFP-UHFFFAOYSA-N 0 0 349.474 4.719 50 0 EJAARN CCCSc1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 ZINC000002285369 564130274 /nfs/dbraw/zinc/13/02/74/564130274.db2.gz VKXXLUIDGQAJIM-UHFFFAOYSA-N 0 0 348.280 4.599 50 0 EJAARN O=C(CCc1ccccc1F)Nc1cnccc1-c1cccc(F)c1 ZINC000253393737 564130481 /nfs/dbraw/zinc/13/04/81/564130481.db2.gz FVXRADFSUJJBMY-UHFFFAOYSA-N 0 0 338.357 4.598 50 0 EJAARN O=C(Nc1ncccc1-c1ccccc1)c1cccc([C@@H]2CCOC2)c1 ZINC000253425776 564131121 /nfs/dbraw/zinc/13/11/21/564131121.db2.gz OTRYIDUXPQVMPY-LJQANCHMSA-N 0 0 344.414 4.505 50 0 EJAARN CC(C)c1cnc(-c2ccc(C(=O)N3C[C@@H]4CCC[C@@H](C4)C3)cc2)nc1 ZINC000584896273 564131643 /nfs/dbraw/zinc/13/16/43/564131643.db2.gz BYDHHZPDEKHVMS-CALCHBBNSA-N 0 0 349.478 4.529 50 0 EJAARN O=C(NCc1cccnc1-c1ccco1)c1ccc(Cl)cc1Cl ZINC000225661511 564131730 /nfs/dbraw/zinc/13/17/30/564131730.db2.gz PFQCWFRSHPJIGX-UHFFFAOYSA-N 0 0 347.201 4.578 50 0 EJAARN CC1(C)c2ccccc2N2CCC(=O)N[C@]21/C=C/c1ccc(F)cc1 ZINC000002296727 564131774 /nfs/dbraw/zinc/13/17/74/564131774.db2.gz ZLNUHQHONULYBH-ZOXUKVPXSA-N 0 0 336.410 4.693 50 0 EJAARN COCc1c(C(=O)OCc2ccccc2)sc2cccc(F)c21 ZINC000017937249 564132565 /nfs/dbraw/zinc/13/25/65/564132565.db2.gz UMIZYGREKSJPKV-UHFFFAOYSA-N 0 0 330.380 4.544 50 0 EJAARN C[C@H](Cc1cc2ccccc2o1)NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000253471906 564132633 /nfs/dbraw/zinc/13/26/33/564132633.db2.gz GNPYZBQWXIAKNA-XSXQVXRUSA-N 0 0 337.463 4.696 50 0 EJAARN CC(=O)O[C@@]1(C)CC[C@@H]2[C@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253531237 564133003 /nfs/dbraw/zinc/13/30/03/564133003.db2.gz YKEIELWRIARSQU-YBEQLVETSA-N 0 0 346.511 4.920 50 0 biogenic EJAARN CSc1ccc(C2=C/C(=C3/N=C(C)OC3=O)c3ccccc3O2)cc1 ZINC000002360665 564133702 /nfs/dbraw/zinc/13/37/02/564133702.db2.gz OPHFMJBLQMZNKT-MNDPQUGUSA-N 0 0 349.411 4.528 50 0 EJAARN CCCSc1nc2sc3c(c2c(SC)n1)CC(C)(C)OC3 ZINC000002375473 564133869 /nfs/dbraw/zinc/13/38/69/564133869.db2.gz WGTZKYCCHXAXFO-UHFFFAOYSA-N 0 0 340.539 4.767 50 0 EJAARN Cc1ccc(CSc2ncnc3c2cnn3-c2ccc(C)cc2)cc1 ZINC000002398789 564134513 /nfs/dbraw/zinc/13/45/13/564134513.db2.gz FMOWRWARZPTVDZ-UHFFFAOYSA-N 0 0 346.459 4.725 50 0 EJAARN C[C@H]1CCCc2sc3nc(NC4CCCCC4)n4ncnc4c3c21 ZINC000002402491 564134603 /nfs/dbraw/zinc/13/46/03/564134603.db2.gz UAEISVMSOXYGFO-NSHDSACASA-N 0 0 341.484 4.523 50 0 EJAARN CC(C)c1noc([C@@H](C)Sc2nccn2-c2cccc(Cl)c2)n1 ZINC000027811062 564134673 /nfs/dbraw/zinc/13/46/73/564134673.db2.gz RMGMALNSFDLNNU-LLVKDONJSA-N 0 0 348.859 4.885 50 0 EJAARN CCCCn1nc(NC(=O)c2ccccc2)c2cc3ccccc3nc21 ZINC000002422375 564134899 /nfs/dbraw/zinc/13/48/99/564134899.db2.gz XHKPXJDBHNKRFW-UHFFFAOYSA-N 0 0 344.418 4.637 50 0 EJAARN Cc1ccc(CSc2ncnc3c2cnn3-c2ccccc2)cc1C ZINC000002423282 564134930 /nfs/dbraw/zinc/13/49/30/564134930.db2.gz VFUMBIOGOJBLSG-UHFFFAOYSA-N 0 0 346.459 4.725 50 0 EJAARN CC(=O)N1N=C(c2ccc(Cl)cc2)O[C@H]1c1ccc(C(C)C)cc1 ZINC000002424826 564134961 /nfs/dbraw/zinc/13/49/61/564134961.db2.gz WAIRJEDFUSEKGC-IBGZPJMESA-N 0 0 342.826 4.703 50 0 EJAARN COc1ccc(-c2ccc(CCC(=O)NCc3ccccc3C)o2)cc1 ZINC000012995638 564135794 /nfs/dbraw/zinc/13/57/94/564135794.db2.gz HUJVDCNCMUBBKQ-UHFFFAOYSA-N 0 0 349.430 4.513 50 0 EJAARN CCCCCNC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 ZINC000012981685 564135802 /nfs/dbraw/zinc/13/58/02/564135802.db2.gz NRICSTZJZLGOIK-UHFFFAOYSA-N 0 0 349.434 4.632 50 0 EJAARN O=C(CCc1ccc2ccccc2c1)N1CCC[C@H]1c1ccc(O)cc1 ZINC000078714372 564136921 /nfs/dbraw/zinc/13/69/21/564136921.db2.gz LPEZRTJBPKUSTN-QFIPXVFZSA-N 0 0 345.442 4.842 50 0 EJAARN CC(=O)c1ccc(NCc2cc(-c3ccc(Cl)cc3)no2)cc1 ZINC000078722889 564136950 /nfs/dbraw/zinc/13/69/50/564136950.db2.gz WUFBZHDBLWTZCU-UHFFFAOYSA-N 0 0 326.783 4.810 50 0 EJAARN CCc1ccc([C@H]2CCCCCN2C(=O)Cc2cccc(F)c2)o1 ZINC000078850059 564137297 /nfs/dbraw/zinc/13/72/97/564137297.db2.gz FMWZSNYLDXHZLS-GOSISDBHSA-N 0 0 329.415 4.668 50 0 EJAARN Cc1cc(C(=O)N(Cc2cccs2)CC(F)(F)F)c(C)s1 ZINC000078967738 564137495 /nfs/dbraw/zinc/13/74/95/564137495.db2.gz WRCBYKLQKWTGRU-UHFFFAOYSA-N 0 0 333.400 4.631 50 0 EJAARN CCOc1cc(C)ccc1NC(=O)NCc1cccc(NC(C)C)c1 ZINC000079073110 564137811 /nfs/dbraw/zinc/13/78/11/564137811.db2.gz ACNFNGJQPKYFKB-UHFFFAOYSA-N 0 0 341.455 4.536 50 0 EJAARN CCOC(=O)c1cc2ccccc2nc1COc1ccc(Cl)cc1 ZINC000019909758 564138252 /nfs/dbraw/zinc/13/82/52/564138252.db2.gz SWZLERRRGNODST-UHFFFAOYSA-N 0 0 341.794 4.644 50 0 EJAARN O=C(N[C@H](c1ccsc1)c1cccs1)c1cccc(Cl)c1 ZINC000390826373 564138466 /nfs/dbraw/zinc/13/84/66/564138466.db2.gz JIXDHCFQHNZUMI-OAHLLOKOSA-N 0 0 333.865 4.982 50 0 EJAARN O=C(NC1(c2cccs2)CCCC1)c1nc2ccccc2s1 ZINC000390826749 564138498 /nfs/dbraw/zinc/13/84/98/564138498.db2.gz BOZUNFIKNVTMQO-UHFFFAOYSA-N 0 0 328.462 4.557 50 0 EJAARN O=C(/C=C/c1ccccc1)N[C@@H](c1ccsc1)c1cccs1 ZINC000390827226 564138519 /nfs/dbraw/zinc/13/85/19/564138519.db2.gz VEVZAOUGLAPHIK-BLGFXRMMSA-N 0 0 325.458 4.729 50 0 EJAARN O=C(NC1(c2cccs2)CCCC1)c1ccc2ncsc2c1 ZINC000390829517 564138602 /nfs/dbraw/zinc/13/86/02/564138602.db2.gz ZMNKZCQDHOIHIQ-UHFFFAOYSA-N 0 0 328.462 4.557 50 0 EJAARN CC(C)Oc1ccc(C(=O)NCc2ccc(-c3ccoc3)cc2)cc1 ZINC000390830740 564138637 /nfs/dbraw/zinc/13/86/37/564138637.db2.gz NABQPWCIQWUKBO-UHFFFAOYSA-N 0 0 335.403 4.664 50 0 EJAARN O=C(NCc1ccc(-c2ccoc2)nc1)c1ccc(Cl)cc1Cl ZINC000390830341 564138639 /nfs/dbraw/zinc/13/86/39/564138639.db2.gz KJICBSBRVLCSGA-UHFFFAOYSA-N 0 0 347.201 4.578 50 0 EJAARN COc1ccc(CCC(=O)N2CCCC[C@H]2CSC(C)(C)C)cc1 ZINC000390830671 564138661 /nfs/dbraw/zinc/13/86/61/564138661.db2.gz MPHGMXAWUHEEDT-KRWDZBQOSA-N 0 0 349.540 4.541 50 0 EJAARN O=C(NCc1ccc(-c2ccoc2)cc1)c1c(F)cccc1Cl ZINC000390832438 564138708 /nfs/dbraw/zinc/13/87/08/564138708.db2.gz ZMHWKCODBSRREX-UHFFFAOYSA-N 0 0 329.758 4.669 50 0 EJAARN Cc1nnc([C@H](C)S[C@@H](C)c2ccccc2Br)o1 ZINC000095412900 564139706 /nfs/dbraw/zinc/13/97/06/564139706.db2.gz VMTLCEWCDNUSDX-IUCAKERBSA-N 0 0 327.247 4.696 50 0 EJAARN O=S(=O)(Cc1cccc(NCc2ccsc2)c1)C1CCCCC1 ZINC000095429103 564140320 /nfs/dbraw/zinc/14/03/20/564140320.db2.gz KJZQAAZVDOVQFM-UHFFFAOYSA-N 0 0 349.521 4.608 50 0 EJAARN COCCOc1ccc([C@@H](C)Nc2ccc(C)c(C)c2)cc1OC ZINC000095462730 564140824 /nfs/dbraw/zinc/14/08/24/564140824.db2.gz MXHZVLDZZDACOY-MRXNPFEDSA-N 0 0 329.440 4.510 50 0 EJAARN C[C@@H](c1nc2ccccc2o1)N(C)Cc1ccccc1Br ZINC000095465873 564141001 /nfs/dbraw/zinc/14/10/01/564141001.db2.gz RBALQSXJESIXIL-LBPRGKRZSA-N 0 0 345.240 4.783 50 0 EJAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccc2[nH]ccc21 ZINC000095472489 564141289 /nfs/dbraw/zinc/14/12/89/564141289.db2.gz PRVQUABQFBQVJZ-UHFFFAOYSA-N 0 0 333.416 4.852 50 0 EJAARN COc1ccccc1-c1cnc(CNc2cccc([C@@H](C)OC)c2)o1 ZINC000080757481 564141759 /nfs/dbraw/zinc/14/17/59/564141759.db2.gz VHTSKTKHWIUAML-CQSZACIVSA-N 0 0 338.407 4.670 50 0 EJAARN CC(C)c1ccc(NC(=O)CN2C[C@@H](C)Sc3ccccc32)cc1 ZINC000021019967 564141906 /nfs/dbraw/zinc/14/19/06/564141906.db2.gz NESJXRQCDPEUJO-OAHLLOKOSA-N 0 0 340.492 4.749 50 0 EJAARN CSc1ccc(CNc2cccc(CCCOC(C)=O)c2)cc1 ZINC000095945449 564142170 /nfs/dbraw/zinc/14/21/70/564142170.db2.gz UGEIDBYNDXIMHI-UHFFFAOYSA-N 0 0 329.465 4.516 50 0 EJAARN CC(C)Cc1nnc([C@@H](C)Sc2cccc(Br)c2)o1 ZINC000095956627 564142550 /nfs/dbraw/zinc/14/25/50/564142550.db2.gz YTFYMRZRWZYAKG-SNVBAGLBSA-N 0 0 341.274 4.884 50 0 EJAARN Oc1ccccc1SCc1csc(COc2ccc(F)cc2)n1 ZINC000095958206 564142582 /nfs/dbraw/zinc/14/25/82/564142582.db2.gz KNYIDTRMVXZMSK-UHFFFAOYSA-N 0 0 347.436 4.859 50 0 EJAARN CC(C)c1ccc([C@@H](C)NCc2noc(Cc3ccccc3)n2)cc1 ZINC000095957521 564142595 /nfs/dbraw/zinc/14/25/95/564142595.db2.gz ZUIHVBHSIUNQLF-MRXNPFEDSA-N 0 0 335.451 4.635 50 0 EJAARN Cc1noc(C)c1[C@H](C)NCc1cc(C(F)(F)F)ccc1Cl ZINC000095973525 564143484 /nfs/dbraw/zinc/14/34/84/564143484.db2.gz WFRJWBAPWJUMKJ-QMMMGPOBSA-N 0 0 332.753 4.814 50 0 EJAARN CCNc1ccc(Cl)cc1NC(=O)Cc1c(C)[nH]c2ccccc21 ZINC000095995418 564144246 /nfs/dbraw/zinc/14/42/46/564144246.db2.gz HBVCXZIPJUSDNS-UHFFFAOYSA-N 0 0 341.842 4.743 50 0 EJAARN CC[C@@H](C)Sc1ccc(NC(=O)N[C@H](C)c2ccon2)c(C)c1 ZINC000096004124 564144502 /nfs/dbraw/zinc/14/45/02/564144502.db2.gz QIWBKQIXOWNPLG-CHWSQXEVSA-N 0 0 333.457 4.756 50 0 EJAARN Cc1cc2cc(NC(=O)c3c(C)noc3-c3ccccc3)ccc2[nH]1 ZINC000096012302 564144758 /nfs/dbraw/zinc/14/47/58/564144758.db2.gz XIOLVGCLCGCYJU-UHFFFAOYSA-N 0 0 331.375 4.692 50 0 EJAARN CCOC(=O)[C@H](NCC[C@H](C)CC(C)(C)C)c1ccccc1Cl ZINC000096026427 564144917 /nfs/dbraw/zinc/14/49/17/564144917.db2.gz ALRYVEUWOHBWSB-WMLDXEAASA-N 0 0 339.907 4.996 50 0 EJAARN Cc1nc(NC(=O)c2ccc(Oc3cccc(F)c3)o2)sc1C ZINC000096183896 564145892 /nfs/dbraw/zinc/14/58/92/564145892.db2.gz OAEYPCYLILCWGZ-UHFFFAOYSA-N 0 0 332.356 4.537 50 0 EJAARN CC[C@@H](C)[C@H](NC(=O)CC(C)C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096278067 564146293 /nfs/dbraw/zinc/14/62/93/564146293.db2.gz OPLXJKGSPXVGSR-WBMJQRKESA-N 0 0 349.862 4.640 50 0 EJAARN Cc1ccc2nc(-c3ccco3)nc(NCCc3ccccc3)c2c1 ZINC000096289545 564146407 /nfs/dbraw/zinc/14/64/07/564146407.db2.gz LWBMFBNLDGONCB-UHFFFAOYSA-N 0 0 329.403 4.853 50 0 EJAARN CC[C@@H](C)[C@@H](NC(=O)CC(C)(C)C)c1nc(-c2cccc(C)c2)no1 ZINC000096294210 564146540 /nfs/dbraw/zinc/14/65/40/564146540.db2.gz MGLSFBCXBRPPIO-RHSMWYFYSA-N 0 0 343.471 4.685 50 0 EJAARN CCOc1ccccc1Nc1nnc(SC/C=C\Cl)s1 ZINC000096401177 564147066 /nfs/dbraw/zinc/14/70/66/564147066.db2.gz LAMHUVQIXKBVDV-YVMONPNESA-N 0 0 327.862 4.525 50 0 EJAARN CC[C@@H](NC(=O)Nc1cccc(-c2nccs2)c1)c1nccs1 ZINC000096415830 564147752 /nfs/dbraw/zinc/14/77/52/564147752.db2.gz BRVZDWDWFKQNBW-CYBMUJFWSA-N 0 0 344.465 4.539 50 0 EJAARN Cc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc2n1 ZINC000002623639 564151276 /nfs/dbraw/zinc/15/12/76/564151276.db2.gz SZBPXCSOXUHHOR-UHFFFAOYSA-N 0 0 346.308 4.694 50 0 EJAARN O=C(Nc1nc(-c2c[nH]c3ccccc32)cs1)c1cccc(F)c1 ZINC000002630199 564151407 /nfs/dbraw/zinc/15/14/07/564151407.db2.gz HECOOBZUOIBJAH-UHFFFAOYSA-N 0 0 337.379 4.683 50 0 EJAARN COc1cccc(CC(=O)Nc2cccc(Oc3ccccc3)c2)c1 ZINC000002632932 564151482 /nfs/dbraw/zinc/15/14/82/564151482.db2.gz RTRWSNIDZNFNFI-UHFFFAOYSA-N 0 0 333.387 4.669 50 0 EJAARN Cc1ccc(C)c(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1 ZINC000002639618 564151663 /nfs/dbraw/zinc/15/16/63/564151663.db2.gz IHCSIOFSMLMIHS-UHFFFAOYSA-N 0 0 347.443 4.932 50 0 EJAARN CCc1nc2cc(N[C@H](C)c3nnc(-c4ccc(C)cc4)o3)ccc2o1 ZINC000056201063 564151679 /nfs/dbraw/zinc/15/16/79/564151679.db2.gz QNOSBFJMECTLOO-CYBMUJFWSA-N 0 0 348.406 4.922 50 0 EJAARN Cc1ccc(S[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1C ZINC000002641304 564151689 /nfs/dbraw/zinc/15/16/89/564151689.db2.gz SVQZOIFGMATRHM-JKSUJKDBSA-N 0 0 325.477 4.762 50 0 EJAARN Cn1c(SCc2cccc(Cl)c2)nnc1-c1ccc(F)cc1 ZINC000002640676 564151712 /nfs/dbraw/zinc/15/17/12/564151712.db2.gz HKJKWWXPVSUEGA-UHFFFAOYSA-N 0 0 333.819 4.567 50 0 EJAARN Cc1cccn2cc(-c3cccc(NC(=O)c4ccccc4C)c3)nc12 ZINC000002647495 564151835 /nfs/dbraw/zinc/15/18/35/564151835.db2.gz LSBGANJIANBICK-UHFFFAOYSA-N 0 0 341.414 4.870 50 0 EJAARN O=C(Nc1nc2c(s1)CCCC2)C(c1ccccc1)c1ccccc1 ZINC000002653091 564151918 /nfs/dbraw/zinc/15/19/18/564151918.db2.gz GKGGUTBNGKINKB-UHFFFAOYSA-N 0 0 348.471 4.793 50 0 EJAARN CC(=O)Nc1cccc(NC(=O)c2cccc(Oc3ccccc3)c2)c1 ZINC000002654883 564151960 /nfs/dbraw/zinc/15/19/60/564151960.db2.gz YZPISAGMFUGLFI-UHFFFAOYSA-N 0 0 346.386 4.690 50 0 EJAARN CC[C@H](c1ccc([C@@H](C)CC)cc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000002733152 564152318 /nfs/dbraw/zinc/15/23/18/564152318.db2.gz WKKACERQTVEMHY-WQANXHIZSA-N 0 0 327.468 4.826 50 0 EJAARN C[C@@H](NC(=O)c1csc2c1CC[C@@H](C(C)(C)C)C2)c1ccncc1 ZINC000002749589 564152412 /nfs/dbraw/zinc/15/24/12/564152412.db2.gz OJKKOMHCXGITHT-UKRRQHHQSA-N 0 0 342.508 4.785 50 0 EJAARN CCOc1ccc(OCc2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000002753173 564152452 /nfs/dbraw/zinc/15/24/52/564152452.db2.gz KMYBMULMIQWFLS-UHFFFAOYSA-N 0 0 347.414 4.917 50 0 EJAARN Cc1cc(C)cc(NC(=O)Cn2c3ccccc3c3c2CCCC3)c1 ZINC000002887315 564152928 /nfs/dbraw/zinc/15/29/28/564152928.db2.gz BOAZCKKDYXXBMG-UHFFFAOYSA-N 0 0 332.447 4.776 50 0 EJAARN Cc1ccc(/C=C2\N=C(/C=C/c3cccc(Cl)c3Cl)OC2=O)o1 ZINC000002942558 564153141 /nfs/dbraw/zinc/15/31/41/564153141.db2.gz MXGLJMBWMLOZEW-SUGUTGAESA-N 0 0 348.185 4.904 50 0 EJAARN Cc1cccc(N2C(=O)CS[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000002949521 564153171 /nfs/dbraw/zinc/15/31/71/564153171.db2.gz NSQOBQJUBGWLFD-MRXNPFEDSA-N 0 0 337.366 4.792 50 0 EJAARN Cc1ccc(CSCCC(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000002943821 564153177 /nfs/dbraw/zinc/15/31/77/564153177.db2.gz BZNQBIXEAGMFHR-UHFFFAOYSA-N 0 0 347.911 4.631 50 0 EJAARN CC[C@H](C)N1COc2c(C)c3oc(=O)cc(-c4ccccc4)c3cc2C1 ZINC000057134845 564153281 /nfs/dbraw/zinc/15/32/81/564153281.db2.gz DNLUCONPWVCIGA-AWEZNQCLSA-N 0 0 349.430 4.719 50 0 biogenic EJAARN Cc1cccc(NC(=O)[C@H](c2ccc(Cl)cc2)N2CCCCC2)c1 ZINC000057317478 564153598 /nfs/dbraw/zinc/15/35/98/564153598.db2.gz XMAAGVPVJXZCQN-IBGZPJMESA-N 0 0 342.870 4.814 50 0 EJAARN Cc1cccc(Cl)c1NC(=O)N1CCC(Oc2ccccc2)CC1 ZINC000132449699 564153901 /nfs/dbraw/zinc/15/39/01/564153901.db2.gz RILDAEDPDKXDLM-UHFFFAOYSA-N 0 0 344.842 4.724 50 0 EJAARN CCN(CC)c1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000002974822 564153925 /nfs/dbraw/zinc/15/39/25/564153925.db2.gz JGGBLHYUQXZZLM-UHFFFAOYSA-N 0 0 342.446 4.934 50 0 EJAARN CSc1cccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)c1 ZINC000057412234 564154064 /nfs/dbraw/zinc/15/40/64/564154064.db2.gz NOMNJUGAZYSLFC-UHFFFAOYSA-N 0 0 343.839 4.704 50 0 EJAARN Cc1c(Cl)cccc1NC(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC000057412654 564154100 /nfs/dbraw/zinc/15/41/00/564154100.db2.gz FYNTUVVVWIGQFL-UHFFFAOYSA-N 0 0 346.217 4.944 50 0 EJAARN Cc1cc(C)cc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)c1 ZINC000057412459 564154106 /nfs/dbraw/zinc/15/41/06/564154106.db2.gz OORMRVRKNMXBDE-UHFFFAOYSA-N 0 0 325.799 4.599 50 0 EJAARN Cc1cccc(Cl)c1NC(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC000057412662 564154118 /nfs/dbraw/zinc/15/41/18/564154118.db2.gz RTOBZTKUKSSYCM-UHFFFAOYSA-N 0 0 346.217 4.944 50 0 EJAARN Cc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)c(C)c1 ZINC000057412483 564154142 /nfs/dbraw/zinc/15/41/42/564154142.db2.gz XNURWWOHHWBOPY-UHFFFAOYSA-N 0 0 325.799 4.599 50 0 EJAARN CCc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)cc1 ZINC000057412467 564154152 /nfs/dbraw/zinc/15/41/52/564154152.db2.gz RCGCFZVFYIHNCG-UHFFFAOYSA-N 0 0 325.799 4.545 50 0 EJAARN COc1ccc(Cc2nnc(S[C@H](C)c3cccc(F)c3)o2)cc1 ZINC000057467566 564154375 /nfs/dbraw/zinc/15/43/75/564154375.db2.gz GJPQIJYWOAMYAE-GFCCVEGCSA-N 0 0 344.411 4.661 50 0 EJAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3C)n[nH]2)cc1 ZINC000057477055 564154420 /nfs/dbraw/zinc/15/44/20/564154420.db2.gz IXFZRZWQILKCMZ-UHFFFAOYSA-N 0 0 325.799 4.599 50 0 EJAARN COc1cccc(CN(C)[C@@H](C)c2nc3ccccc3s2)c1OC ZINC000057503875 564154565 /nfs/dbraw/zinc/15/45/65/564154565.db2.gz GFAZUXIDOWYSCT-ZDUSSCGKSA-N 0 0 342.464 4.507 50 0 EJAARN O=C(NCCSc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000003050337 564154729 /nfs/dbraw/zinc/15/47/29/564154729.db2.gz LDKKLFRSWHLLQF-UHFFFAOYSA-N 0 0 326.248 4.516 50 0 EJAARN CCCCCC[C@H](C)NC(=O)COc1ccc(Cl)cc1Cl ZINC000003083733 564155046 /nfs/dbraw/zinc/15/50/46/564155046.db2.gz IDMBZPHEVJMMNT-LBPRGKRZSA-N 0 0 332.271 4.847 50 0 EJAARN Cc1ccc([C@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000003138927 564155436 /nfs/dbraw/zinc/15/54/36/564155436.db2.gz ROQQUOYFMATYNX-AWEZNQCLSA-N 0 0 342.653 4.836 50 0 EJAARN CC(C)COc1ccc(NC(=O)c2ccc[nH]c2=S)cc1Cl ZINC000030188013 564155519 /nfs/dbraw/zinc/15/55/19/564155519.db2.gz PJXWPEXJLSUUTB-UHFFFAOYSA-N 0 0 336.844 4.685 50 0 EJAARN C[C@H](NC(=O)COc1ccc(Oc2ccccc2)cc1)c1ccccc1 ZINC000003165380 564155578 /nfs/dbraw/zinc/15/55/78/564155578.db2.gz XXKNCSXHNRGEES-KRWDZBQOSA-N 0 0 347.414 4.735 50 0 EJAARN Cc1cc(Cl)c(C(C)C)cc1OCC(=O)Oc1ccccc1F ZINC000003171251 564155600 /nfs/dbraw/zinc/15/56/00/564155600.db2.gz PITAGEYIQWKANX-UHFFFAOYSA-N 0 0 336.790 4.895 50 0 EJAARN Cc1ccccc1N1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O ZINC000003172504 564155647 /nfs/dbraw/zinc/15/56/47/564155647.db2.gz MQQVVHZGOVUEQB-GDNBJRDFSA-N 0 0 329.808 4.889 50 0 EJAARN O=C(OCc1csc(-c2ccccc2)n1)c1ccc2ccccc2n1 ZINC000003220229 564156130 /nfs/dbraw/zinc/15/61/30/564156130.db2.gz IWWWMQQIEHHFMQ-UHFFFAOYSA-N 0 0 346.411 4.715 50 0 EJAARN O=C1OC(c2ccc(Oc3ccccc3)cc2)=N/C1=C/c1cccs1 ZINC000003236061 564156408 /nfs/dbraw/zinc/15/64/08/564156408.db2.gz YBAYIHBBOUKFMK-QGOAFFKASA-N 0 0 347.395 4.885 50 0 EJAARN O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1F ZINC000003268888 564156810 /nfs/dbraw/zinc/15/68/10/564156810.db2.gz QXODJKDIYOZQRE-FQEVSTJZSA-N 0 0 334.346 4.607 50 0 EJAARN O=C(OCc1nc2ccccc2s1)c1cc(Cl)ccc1Cl ZINC000003282487 564156923 /nfs/dbraw/zinc/15/69/23/564156923.db2.gz SMJSYVISVTXBDC-UHFFFAOYSA-N 0 0 338.215 4.960 50 0 EJAARN Cc1cc(Nc2ncc(Cl)cc2Cl)n(-c2ccc(C)cc2)n1 ZINC000003290227 564156998 /nfs/dbraw/zinc/15/69/98/564156998.db2.gz LXLHADZMTFWVBR-UHFFFAOYSA-N 0 0 333.222 4.935 50 0 EJAARN CN(Cc1ccccc1)c1ccccc1NC(=O)NCc1ccccc1 ZINC000057997045 564157069 /nfs/dbraw/zinc/15/70/69/564157069.db2.gz AIHLWIYQVDDKDL-UHFFFAOYSA-N 0 0 345.446 4.645 50 0 EJAARN CC(C)N(C(=O)CNc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000003292491 564157109 /nfs/dbraw/zinc/15/71/09/564157109.db2.gz KNMVPUKLIKYJDD-UHFFFAOYSA-N 0 0 337.250 4.847 50 0 EJAARN COc1cccc(NC(=S)N[C@H](C)c2ccc(CC(C)C)cc2)c1 ZINC000003348736 564157573 /nfs/dbraw/zinc/15/75/73/564157573.db2.gz QIFIFZDOTWJFJU-OAHLLOKOSA-N 0 0 342.508 4.941 50 0 EJAARN O=C(CSCc1cccc2ccccc21)N1CCc2ccccc21 ZINC000058166939 564157909 /nfs/dbraw/zinc/15/79/09/564157909.db2.gz BXZNITCINUPVAY-UHFFFAOYSA-N 0 0 333.456 4.662 50 0 EJAARN Cc1ccc(C)c(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3)o2)c1 ZINC000003405432 564158013 /nfs/dbraw/zinc/15/80/13/564158013.db2.gz VDHKBJJEPHCMCP-CQSZACIVSA-N 0 0 338.432 4.717 50 0 EJAARN CCCSc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cn1 ZINC000003470334 564158254 /nfs/dbraw/zinc/15/82/54/564158254.db2.gz ANOPSMUWBHCZKU-UHFFFAOYSA-N 0 0 340.370 4.855 50 0 EJAARN c1ccc(-c2nc3ccccc3c(Oc3ccc4c(c3)OCO4)n2)cc1 ZINC000003490976 564158424 /nfs/dbraw/zinc/15/84/24/564158424.db2.gz PTGAHWQAGYFBIE-UHFFFAOYSA-N 0 0 342.354 4.818 50 0 EJAARN Cc1ccc(CN(C)CC(=O)Nc2c(C(C)C)cccc2C(C)C)o1 ZINC000003491515 564158444 /nfs/dbraw/zinc/15/84/44/564158444.db2.gz AAIDSPKRZMTPFR-UHFFFAOYSA-N 0 0 342.483 4.905 50 0 EJAARN Cc1nc2sc3c(c2c(SCC(=O)C(C)(C)C)n1)CCCC3 ZINC000003495452 564158454 /nfs/dbraw/zinc/15/84/54/564158454.db2.gz INZADHFDYYKYQO-UHFFFAOYSA-N 0 0 334.510 4.586 50 0 EJAARN CCSc1nnc(-c2cccc(OC)c2)n1-c1ccc(Cl)cc1 ZINC000003496360 564158477 /nfs/dbraw/zinc/15/84/77/564158477.db2.gz XQLJGYRYSSIEDT-UHFFFAOYSA-N 0 0 345.855 4.708 50 0 EJAARN COc1ccc(Cl)cc1NC(=O)CSc1cc(C)ccc1C ZINC000003499315 564158490 /nfs/dbraw/zinc/15/84/90/564158490.db2.gz CHSZRROGKWXJGP-UHFFFAOYSA-N 0 0 335.856 4.696 50 0 EJAARN CCOc1ccc(NC(=S)N2CC[C@H](c3ccc(C)cc3)C2)cc1 ZINC000003588545 564159072 /nfs/dbraw/zinc/15/90/72/564159072.db2.gz DLUSHUOUCXORQQ-KRWDZBQOSA-N 0 0 340.492 4.580 50 0 EJAARN CSc1c2cc(C)ccc2n(C)c1CC(=O)Nc1ccc(C)cc1 ZINC000003661990 564159341 /nfs/dbraw/zinc/15/93/41/564159341.db2.gz KSWKQFRCJRLIMH-UHFFFAOYSA-N 0 0 338.476 4.698 50 0 EJAARN Cc1cc(C)n(-c2ccccc2NC(=O)c2cc(Cl)ccc2F)n1 ZINC000031543755 564159528 /nfs/dbraw/zinc/15/95/28/564159528.db2.gz XUWKTVWPAQSUFK-UHFFFAOYSA-N 0 0 343.789 4.534 50 0 EJAARN c1cn(Cc2ccccc2)c(CSc2nc3ccccc3s2)n1 ZINC000058670113 564159539 /nfs/dbraw/zinc/15/95/39/564159539.db2.gz YEHJKPAEFOVYIF-UHFFFAOYSA-N 0 0 337.473 4.833 50 0 EJAARN CCCC[C@@H](NC(=O)CCc1ccccc1Cl)c1cccnc1 ZINC000670454884 564159815 /nfs/dbraw/zinc/15/98/15/564159815.db2.gz VDAQMNTWPPNAPJ-GOSISDBHSA-N 0 0 330.859 4.715 50 0 EJAARN COc1ccccc1/C=C/[C@]12NC(=O)CCN1c1ccccc1C2(C)C ZINC000003999926 564159937 /nfs/dbraw/zinc/15/99/37/564159937.db2.gz TWFCISJXYNAPMT-VKXNWWILSA-N 0 0 348.446 4.563 50 0 biogenic EJAARN CCCCNC(=O)OC[C@@]12CO[C@@H](CCC)[C@@H](C(C)=C[C@@H]1C)[C@H]2C ZINC000004025457 564160087 /nfs/dbraw/zinc/16/00/87/564160087.db2.gz FGCOUMUUNRBVMZ-STEXWYFWSA-N 0 0 337.504 4.546 50 0 biogenic EJAARN O=C(Nc1cccc2cccnc21)c1ccc(OC2CCCC2)cc1 ZINC000031882291 564160139 /nfs/dbraw/zinc/16/01/39/564160139.db2.gz VWMOEHUFGUDSGB-UHFFFAOYSA-N 0 0 332.403 4.809 50 0 EJAARN C[C@H]1c2ccsc2CCN1C(=O)c1ccc(OC2CCCC2)cc1 ZINC000031897165 564160168 /nfs/dbraw/zinc/16/01/68/564160168.db2.gz GYXXTFMZJKVAQL-AWEZNQCLSA-N 0 0 341.476 4.829 50 0 EJAARN CC(=O)[C@H]1[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004073875 564160360 /nfs/dbraw/zinc/16/03/60/564160360.db2.gz XXSFRYVGIQYVIQ-CSDDPEKQSA-N 0 0 330.512 4.761 50 0 biogenic EJAARN O=C(N(Cc1ccc2[nH]ccc2c1)C1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000032074769 564160632 /nfs/dbraw/zinc/16/06/32/564160632.db2.gz ASUTUZRGOROYCX-UHFFFAOYSA-N 0 0 348.490 4.875 50 0 EJAARN O=C(Nc1ccc(-c2nc3cnccc3o2)cc1)c1ccccc1Cl ZINC000032097179 564160760 /nfs/dbraw/zinc/16/07/60/564160760.db2.gz DCAMCDKJUHUMCW-UHFFFAOYSA-N 0 0 349.777 4.796 50 0 EJAARN Brc1cccc2sc(N3CCc4ccccc4C3)nc21 ZINC000004137858 564160863 /nfs/dbraw/zinc/16/08/63/564160863.db2.gz BRHJEAYWGNUEBS-UHFFFAOYSA-N 0 0 345.265 4.622 50 0 EJAARN CCOC(=O)c1sc(Nc2nc3c(cccc3F)s2)cc1C ZINC000004137686 564160887 /nfs/dbraw/zinc/16/08/87/564160887.db2.gz SQUGXPCHJRAJLW-UHFFFAOYSA-N 0 0 336.413 4.726 50 0 EJAARN O=C(CCOc1ccccc1)N[C@H](c1cccs1)C1CCCC1 ZINC000032398239 564161334 /nfs/dbraw/zinc/16/13/34/564161334.db2.gz GXPZDTHQARBPIL-IBGZPJMESA-N 0 0 329.465 4.565 50 0 EJAARN O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1ccccc1 ZINC000004278862 564161449 /nfs/dbraw/zinc/16/14/49/564161449.db2.gz QSLHCTIALKNUCV-UHFFFAOYSA-N 0 0 334.444 4.941 50 0 EJAARN Cc1cccc(C(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)c1 ZINC000004318000 564161654 /nfs/dbraw/zinc/16/16/54/564161654.db2.gz XAWRCBBJFDLMNV-MRXNPFEDSA-N 0 0 336.416 4.641 50 0 EJAARN Cc1ccc(C)c(OCCC(=O)Nc2c(C)cc(C)cc2Cl)c1 ZINC000007981327 564161758 /nfs/dbraw/zinc/16/17/58/564161758.db2.gz JHQVVIHETIWHPT-UHFFFAOYSA-N 0 0 331.843 4.981 50 0 EJAARN C[C@H]1CCCN(c2ncnc3cc(-c4ccc(F)cc4)sc32)C1 ZINC000007987980 564161910 /nfs/dbraw/zinc/16/19/10/564161910.db2.gz VKKHTTOUXUKWSK-LBPRGKRZSA-N 0 0 327.428 4.734 50 0 EJAARN O=C([O-])C1CCC([NH2+][C@@H](CC2CCCCC2)c2ccccc2)CC1 ZINC000263450908 564162233 /nfs/dbraw/zinc/16/22/33/564162233.db2.gz ZNLWXAOFGMBWQC-MHJFOBGBSA-N 0 0 329.484 4.931 50 0 EJAARN O=C([O-])C1CCC([NH2+][C@H](c2ccsc2)c2ccc(Cl)cc2)CC1 ZINC000263496426 564162248 /nfs/dbraw/zinc/16/22/48/564162248.db2.gz TVBRWKMJYDURLG-IMRCBTMISA-N 0 0 349.883 4.724 50 0 EJAARN O=C([O-])C1CCC([NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000263495009 564162252 /nfs/dbraw/zinc/16/22/52/564162252.db2.gz SMZABZRJBJTFIT-KVZIAJEVSA-N 0 0 343.854 4.662 50 0 EJAARN O=C(Nc1ccc(Cl)cc1F)c1csc(-c2ccccc2)n1 ZINC000008060920 564162461 /nfs/dbraw/zinc/16/24/61/564162461.db2.gz DUYALNIYXLVKFX-UHFFFAOYSA-N 0 0 332.787 4.855 50 0 EJAARN COc1ccc(C)cc1NC(=O)CCOc1ccc(C(C)(C)C)cc1 ZINC000008076141 564162543 /nfs/dbraw/zinc/16/25/43/564162543.db2.gz FBEWIROYZNKUBK-UHFFFAOYSA-N 0 0 341.451 4.709 50 0 EJAARN Cc1ccccc1C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008104816 564162699 /nfs/dbraw/zinc/16/26/99/564162699.db2.gz QBTUVRBLPUQDTA-OAHLLOKOSA-N 0 0 336.460 4.625 50 0 EJAARN Cc1ccc(-c2csc3ncnc(Sc4nccn4C)c23)cc1 ZINC000008149062 564163202 /nfs/dbraw/zinc/16/32/02/564163202.db2.gz NYJYKMKIAKLKFY-UHFFFAOYSA-N 0 0 338.461 4.551 50 0 EJAARN CCOc1ccccc1OCC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000008156960 564163252 /nfs/dbraw/zinc/16/32/52/564163252.db2.gz HZXDQZMHUBBYAC-UHFFFAOYSA-N 0 0 347.414 4.770 50 0 EJAARN COc1ccc(CN(C(=O)Cc2cccc3ccccc32)C2CC2)cc1 ZINC000008163968 564163266 /nfs/dbraw/zinc/16/32/66/564163266.db2.gz WCUKPIQGFQJUTA-UHFFFAOYSA-N 0 0 345.442 4.582 50 0 EJAARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC)cc2)N3)C1 ZINC000008197254 564163497 /nfs/dbraw/zinc/16/34/97/564163497.db2.gz NWAOKCROQCMFIR-PIGZYNQJSA-N 0 0 342.464 4.701 50 0 EJAARN CC(C)c1ccc(OCC(=O)N[C@H](C)c2cc3ccccc3o2)cc1 ZINC000008240625 564163756 /nfs/dbraw/zinc/16/37/56/564163756.db2.gz IRWAJLLMENDGCA-OAHLLOKOSA-N 0 0 337.419 4.812 50 0 EJAARN CN(Cc1ccc2ccccc2c1)C(=O)NCc1cccc(Cl)c1 ZINC000008264637 564163848 /nfs/dbraw/zinc/16/38/48/564163848.db2.gz HEHOROLVULSJQS-UHFFFAOYSA-N 0 0 338.838 4.835 50 0 EJAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(Cl)cc1 ZINC000008279111 564163998 /nfs/dbraw/zinc/16/39/98/564163998.db2.gz UNDIZCOHEJJLKZ-LLVKDONJSA-N 0 0 330.840 4.783 50 0 EJAARN Cc1ccc(CNC(=O)CCc2ccc(-c3ccccc3F)o2)cc1 ZINC000008330681 564164525 /nfs/dbraw/zinc/16/45/25/564164525.db2.gz ZIAYFCFPYKANSL-UHFFFAOYSA-N 0 0 337.394 4.643 50 0 EJAARN C[C@H](CNC(=O)c1ccccc1C(=O)c1cccs1)c1ccccc1 ZINC000008332750 564164557 /nfs/dbraw/zinc/16/45/57/564164557.db2.gz WOSGMKUAVRJXFA-OAHLLOKOSA-N 0 0 349.455 4.513 50 0 EJAARN O=C([O-])c1ccc(C[NH+]2CCC(c3cccc4ccccc43)CC2)cc1 ZINC000263577852 564164723 /nfs/dbraw/zinc/16/47/23/564164723.db2.gz RYJPTWHPFBNPRO-UHFFFAOYSA-N 0 0 345.442 4.918 50 0 EJAARN C[C@H](NC(=O)c1ccc(C2SCCCS2)cc1)c1ccco1 ZINC000008360376 564164724 /nfs/dbraw/zinc/16/47/24/564164724.db2.gz PAZBBPCSLHQEGO-LBPRGKRZSA-N 0 0 333.478 4.639 50 0 EJAARN Fc1ccc(SCCSc2n[nH]c(-c3ccccc3F)n2)cc1 ZINC000008390597 564164918 /nfs/dbraw/zinc/16/49/18/564164918.db2.gz KOARLNGAUMTQAN-UHFFFAOYSA-N 0 0 349.431 4.634 50 0 EJAARN CC(=O)CCSc1nc(C)nc2sc(-c3ccccc3)cc21 ZINC000008392865 564165035 /nfs/dbraw/zinc/16/50/35/564165035.db2.gz CVJRASZQZWBKDH-UHFFFAOYSA-N 0 0 328.462 4.738 50 0 EJAARN C[C@H](c1ccccc1)N(C)C(=O)c1csc(-c2ccc(F)cc2)n1 ZINC000008404819 564165157 /nfs/dbraw/zinc/16/51/57/564165157.db2.gz INAYKFQHGRYLIV-CYBMUJFWSA-N 0 0 340.423 4.782 50 0 EJAARN Cc1ccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1C ZINC000008428287 564165252 /nfs/dbraw/zinc/16/52/52/564165252.db2.gz HOCPWHQKIMVPNS-UHFFFAOYSA-N 0 0 329.399 4.787 50 0 EJAARN Cc1noc(C)c1CC(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 ZINC000008429396 564165272 /nfs/dbraw/zinc/16/52/72/564165272.db2.gz KITWVPFJBHPBRJ-UHFFFAOYSA-N 0 0 346.386 4.886 50 0 EJAARN COc1cc(Cl)cc2cc(/C=C/C(=O)Nc3ccccc3)oc21 ZINC000067339974 564165689 /nfs/dbraw/zinc/16/56/89/564165689.db2.gz HIPLBRCHXDCFAJ-BQYQJAHWSA-N 0 0 327.767 4.747 50 0 EJAARN CC1CCC(Nc2ncnc3onc(-c4ccc(Cl)cc4)c32)CC1 ZINC000008595373 564165946 /nfs/dbraw/zinc/16/59/46/564165946.db2.gz HDOYEYQVMLSJHX-UHFFFAOYSA-N 0 0 342.830 4.929 50 0 EJAARN CCCN(C(=O)c1cc2ccc3cccnc3c2[nH]1)c1ccc(F)cc1 ZINC000008597089 564165999 /nfs/dbraw/zinc/16/59/99/564165999.db2.gz SOANQWKEKOCXSS-UHFFFAOYSA-N 0 0 347.393 4.912 50 0 EJAARN COc1ccc(NC(=O)/C=C\c2cccc3ccccc23)c(OC)c1 ZINC000008657199 564166201 /nfs/dbraw/zinc/16/62/01/564166201.db2.gz MQFMURYZQQHMOL-RAXLEYEMSA-N 0 0 333.387 4.509 50 0 EJAARN CC(=O)c1ccc(OCc2csc(Nc3ccc(C)cc3)n2)cc1 ZINC000008710648 564166601 /nfs/dbraw/zinc/16/66/01/564166601.db2.gz DVPIFQPTMSTAJV-UHFFFAOYSA-N 0 0 338.432 4.977 50 0 EJAARN C[C@@H](c1ccccc1)N1C(=O)c2ccccc2N[C@@H]1c1cccc(O)c1 ZINC000008719565 564166918 /nfs/dbraw/zinc/16/69/18/564166918.db2.gz OUIGPQRSUZBJQS-BTYIYWSLSA-N 0 0 344.414 4.720 50 0 EJAARN Cc1ccc(-c2csc(NC(=O)c3ccc4[nH]cnc4c3)n2)cc1C ZINC000008719903 564166928 /nfs/dbraw/zinc/16/69/28/564166928.db2.gz ZXLOFCKFVDUKGU-UHFFFAOYSA-N 0 0 348.431 4.556 50 0 EJAARN Cc1nc2ccc(C(=O)N[C@H](CC(C)C)c3cccnc3)cc2s1 ZINC000670474087 564167070 /nfs/dbraw/zinc/16/70/70/564167070.db2.gz GVTLGQPDDVTANS-QGZVFWFLSA-N 0 0 339.464 4.517 50 0 EJAARN Cc1nc2ccc(C(=O)N[C@@H](CC(C)C)c3cccnc3)cc2s1 ZINC000670474086 564167074 /nfs/dbraw/zinc/16/70/74/564167074.db2.gz GVTLGQPDDVTANS-KRWDZBQOSA-N 0 0 339.464 4.517 50 0 EJAARN Cc1cccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)c1C ZINC000008747689 564167229 /nfs/dbraw/zinc/16/72/29/564167229.db2.gz KLYRCAQKYYNBCW-UHFFFAOYSA-N 0 0 338.382 4.669 50 0 EJAARN O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)c1ccsc1 ZINC000008772610 564167366 /nfs/dbraw/zinc/16/73/66/564167366.db2.gz QVPMRAGUJVHIPQ-QGZVFWFLSA-N 0 0 327.836 4.921 50 0 EJAARN Cc1c2cc(C)c(C)cc2oc1C(=O)Nc1nonc1-c1ccccc1 ZINC000008869486 564167480 /nfs/dbraw/zinc/16/74/80/564167480.db2.gz VSOFIGMETLKVQS-UHFFFAOYSA-N 0 0 347.374 4.660 50 0 EJAARN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Cc1cn(C)c2ccccc12 ZINC000068236785 564167525 /nfs/dbraw/zinc/16/75/25/564167525.db2.gz TXYZSXILJMURHZ-HNNXBMFYSA-N 0 0 346.430 4.687 50 0 EJAARN Cc1cc(NC(=O)N2CCC[C@@H]2c2ccc(C)cc2)n(C(C)(C)C)n1 ZINC000068600276 564167643 /nfs/dbraw/zinc/16/76/43/564167643.db2.gz VDNGGXNIGDCKBL-QGZVFWFLSA-N 0 0 340.471 4.624 50 0 EJAARN Clc1ccccc1NC1(c2nnnn2C2CCCCC2)CCCC1 ZINC000039931668 564167694 /nfs/dbraw/zinc/16/76/94/564167694.db2.gz CRIPLWIOIPPGCJ-UHFFFAOYSA-N 0 0 345.878 4.713 50 0 EJAARN COc1cccc(-c2nc(CNc3cccc(C(C)=O)c3)cs2)c1 ZINC000039987704 564167770 /nfs/dbraw/zinc/16/77/70/564167770.db2.gz MGOZEJLMGCZMKM-UHFFFAOYSA-N 0 0 338.432 4.633 50 0 EJAARN C[C@@H](NC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)c1ccccc1F ZINC000040067845 564167850 /nfs/dbraw/zinc/16/78/50/564167850.db2.gz NTSSBBCWNOHSFQ-OLZOCXBDSA-N 0 0 334.822 4.943 50 0 EJAARN Cc1ccccc1-c1noc(CN(C)[C@@H](C)c2cc3ccccc3o2)n1 ZINC000040066989 564167861 /nfs/dbraw/zinc/16/78/61/564167861.db2.gz ZRGGTRUKJNHFTE-HNNXBMFYSA-N 0 0 347.418 4.984 50 0 EJAARN c1cc(Nc2ncnc3sc4c(c32)CCC4)cc(N2CCCC2)c1 ZINC000040155544 564168422 /nfs/dbraw/zinc/16/84/22/564168422.db2.gz SXQQJLYWLYLYGV-UHFFFAOYSA-N 0 0 336.464 4.524 50 0 EJAARN CC[C@H](C)Nc1cc(C)nc2c(C)c(-c3ccc(Cl)cc3)nn21 ZINC000040217025 564168559 /nfs/dbraw/zinc/16/85/59/564168559.db2.gz FPRRLMTYMRKRHT-NSHDSACASA-N 0 0 328.847 4.877 50 0 EJAARN COc1ccc(C)cc1NC(=O)c1cccc(-c2csc(C)n2)c1 ZINC000173045623 564168594 /nfs/dbraw/zinc/16/85/94/564168594.db2.gz KGSSNOQPERHKAG-UHFFFAOYSA-N 0 0 338.432 4.688 50 0 EJAARN C[C@@H](N[C@@H](C)c1nnc(-c2ccccc2)o1)c1cccc(Cl)c1 ZINC000069417415 564169296 /nfs/dbraw/zinc/16/92/96/564169296.db2.gz ADFGUOZZJNYOHB-OLZOCXBDSA-N 0 0 327.815 4.802 50 0 EJAARN Cc1ccccc1NC(=O)N(C)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000069457282 564169682 /nfs/dbraw/zinc/16/96/82/564169682.db2.gz XRELWSMNDREYPO-FQEVSTJZSA-N 0 0 349.409 4.782 50 0 EJAARN C[C@@H](c1nnc(-c2ccccc2)o1)N1CCC[C@@H]1c1ccsc1 ZINC000069483687 564169764 /nfs/dbraw/zinc/16/97/64/564169764.db2.gz DFNQUPKLYPIEHV-XJKSGUPXSA-N 0 0 325.437 4.696 50 0 EJAARN C[C@H](c1nnc(-c2ccccc2)o1)N1CCC[C@@H]1c1ccsc1 ZINC000069483689 564169781 /nfs/dbraw/zinc/16/97/81/564169781.db2.gz DFNQUPKLYPIEHV-CZUORRHYSA-N 0 0 325.437 4.696 50 0 EJAARN CC(C)CCN1c2ccc(NC(=O)C3CCCCC3)cc2CCC1=O ZINC000009164712 564170819 /nfs/dbraw/zinc/17/08/19/564170819.db2.gz RXYFNJOTIMMRCM-UHFFFAOYSA-N 0 0 342.483 4.531 50 0 EJAARN O=C(CCc1cccs1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000009217508 564171426 /nfs/dbraw/zinc/17/14/26/564171426.db2.gz IKTOLGBJLHMGMR-OAHLLOKOSA-N 0 0 342.489 4.654 50 0 EJAARN COc1ccc([C@@H](NC(=O)c2sccc2C)c2ccccc2)cc1 ZINC000069708788 564171706 /nfs/dbraw/zinc/17/17/06/564171706.db2.gz MZHVMRABOZOTAK-SFHVURJKSA-N 0 0 337.444 4.585 50 0 EJAARN O=[S@](Cc1cc(-c2ccccc2)on1)Cc1c(F)cccc1Cl ZINC000069817356 564172397 /nfs/dbraw/zinc/17/23/97/564172397.db2.gz VGYLVXFAIXWACY-QHCPKHFHSA-N 0 0 349.814 4.583 50 0 EJAARN O=C(CSc1nc2ccccc2n1C1CCCCC1)c1ccc[nH]1 ZINC000009367078 564173024 /nfs/dbraw/zinc/17/30/24/564173024.db2.gz LBTOJGZJYYVXRM-UHFFFAOYSA-N 0 0 339.464 4.845 50 0 EJAARN O=C(Nc1ccncc1)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000070003779 564173190 /nfs/dbraw/zinc/17/31/90/564173190.db2.gz DHBYZKSSDBVDBI-FQEVSTJZSA-N 0 0 343.386 4.739 50 0 EJAARN O=C(Nc1ccccc1N1CCCC1)N1CCC(c2ccccc2)CC1 ZINC000070006894 564173214 /nfs/dbraw/zinc/17/32/14/564173214.db2.gz QUDURNQTJXDCPK-UHFFFAOYSA-N 0 0 349.478 4.698 50 0 EJAARN O=C(/C=C/c1nc2ccccc2o1)Nc1ccc(-c2ccccc2)cn1 ZINC000070020123 564173348 /nfs/dbraw/zinc/17/33/48/564173348.db2.gz NKPKEWGRWWQLAY-OUKQBFOZSA-N 0 0 341.370 4.542 50 0 EJAARN Cc1ccoc1C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000041135462 564173403 /nfs/dbraw/zinc/17/34/03/564173403.db2.gz NOYWBPUUDHIFPA-OAHLLOKOSA-N 0 0 331.824 4.822 50 0 EJAARN C[C@@H](NC(=O)/C=C/c1cccc(-c2ccccc2)c1)c1ccccn1 ZINC000070036534 564173439 /nfs/dbraw/zinc/17/34/39/564173439.db2.gz PPTLTJZCHTYPIP-TUQDCPSNSA-N 0 0 328.415 4.639 50 0 EJAARN O=C(NC1CCC(F)(F)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000535629521 564173912 /nfs/dbraw/zinc/17/39/12/564173912.db2.gz CQSGFQVJLZHODD-UHFFFAOYSA-N 0 0 331.362 4.787 50 0 EJAARN Cc1ccc(C)c(NC(=O)c2ncoc2-c2cccc(Cl)c2)c1 ZINC000009527377 564174038 /nfs/dbraw/zinc/17/40/38/564174038.db2.gz WNLRJRRNKUWYDC-UHFFFAOYSA-N 0 0 326.783 4.864 50 0 EJAARN Cc1ccccc1NC(=O)N1CCn2cccc2[C@@H]1Cc1ccccc1 ZINC000009528208 564174045 /nfs/dbraw/zinc/17/40/45/564174045.db2.gz KDLNBXFQGHLUEQ-NRFANRHFSA-N 0 0 345.446 4.628 50 0 EJAARN CC(=O)N1N=C(c2cccc(Cl)c2Cl)O[C@H]1c1ccccc1C ZINC000009587009 564174250 /nfs/dbraw/zinc/17/42/50/564174250.db2.gz XDRVMYJBRLMATI-KRWDZBQOSA-N 0 0 349.217 4.541 50 0 EJAARN CCOCc1c2ccccc2oc1C(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000009592021 564174266 /nfs/dbraw/zinc/17/42/66/564174266.db2.gz RCTSMESYSJZFNP-CRAIPNDOSA-N 0 0 341.451 4.764 50 0 EJAARN Cc1[nH]c2ccccc2c1[C@@H]1C(C)=C(C)C(=O)N1Cc1cccs1 ZINC000009668384 564174401 /nfs/dbraw/zinc/17/44/01/564174401.db2.gz XPMPDZZKFHINNM-IBGZPJMESA-N 0 0 336.460 4.958 50 0 EJAARN Cc1ccc(CN2c3ccccc3S(=O)(=O)c3ccccc32)c(C)c1 ZINC000009683241 564174416 /nfs/dbraw/zinc/17/44/16/564174416.db2.gz ZVEKJHUNKXEPLD-UHFFFAOYSA-N 0 0 349.455 4.788 50 0 EJAARN Cc1ccc(C)c(Cn2cccc2CNC(=O)Nc2ccccc2C)c1 ZINC000009722744 564174523 /nfs/dbraw/zinc/17/45/23/564174523.db2.gz OIMPIBKVZGLHGF-UHFFFAOYSA-N 0 0 347.462 4.783 50 0 EJAARN CCCCN(C)C(=O)c1csc(Nc2cccc3ccccc32)n1 ZINC000009846102 564174702 /nfs/dbraw/zinc/17/47/02/564174702.db2.gz IVVXMLVCXHNUPY-UHFFFAOYSA-N 0 0 339.464 4.912 50 0 EJAARN CCc1cccc(CC)c1NC(=O)c1ccc(-n2cc(C)cn2)cc1 ZINC000042568195 564175042 /nfs/dbraw/zinc/17/50/42/564175042.db2.gz 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/nfs/dbraw/zinc/17/65/28/564176528.db2.gz OJGWUFNSTGNGAD-JTQLQIEISA-N 0 0 328.528 4.693 50 0 EJAARN C[C@H](c1ccc(Cl)cc1)S(=O)(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC000077647158 564176821 /nfs/dbraw/zinc/17/68/21/564176821.db2.gz IQUCZNQNJVLTMM-MNOVXSKESA-N 0 0 344.810 4.855 50 0 EJAARN C=C[C@](C)(C[C@@H](OC)[C@]1(C)C2=C(CCC2=O)CC[C@@H]1C)C(=O)CC ZINC000043762390 564177649 /nfs/dbraw/zinc/17/76/49/564177649.db2.gz ANCHGALOVXDQRM-FEHMIHBQSA-N 0 0 332.484 4.659 50 0 EJAARN c1c(-c2ccccc2)sc2ncnc(Oc3ccc4c(c3)OCO4)c12 ZINC000000390183 568414634 /nfs/dbraw/zinc/41/46/34/568414634.db2.gz QMZRSDWZAWVZJI-UHFFFAOYSA-N 0 0 348.383 4.879 50 0 EJAARN CC(C)[Si](c1ncc(C(=O)c2ccccc2)o1)(C(C)C)C(C)C ZINC000169839016 568420114 /nfs/dbraw/zinc/42/01/14/568420114.db2.gz IJPGLDZXSJKFQQ-UHFFFAOYSA-N 0 0 329.516 4.791 50 0 EJAARN Cc1c(C)n(C)c2ccc(C(=O)N[C@@H](C)CCc3ccccc3)cc12 ZINC000006910938 568421012 /nfs/dbraw/zinc/42/10/12/568421012.db2.gz BRNXMCCKIATRRT-HNNXBMFYSA-N 0 0 334.463 4.546 50 0 EJAARN O=C(c1ccc(-c2ccccc2)cc1)N(Cc1ccncc1)C1CC1 ZINC000050822030 214070306 /nfs/dbraw/zinc/07/03/06/214070306.db2.gz STFGBHQULRLIII-UHFFFAOYSA-N 0 0 328.415 4.553 50 0 EJAARN Cc1ncsc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000051329698 214089347 /nfs/dbraw/zinc/08/93/47/214089347.db2.gz DTWUYRHBYJFWGS-FXAWDEMLSA-N 0 0 347.443 4.694 50 0 EJAARN C[C@@H](N[C@@H](C)c1ccc(Cl)cc1Cl)c1nc(C2CC2)no1 ZINC000051535226 214096452 /nfs/dbraw/zinc/09/64/52/214096452.db2.gz GNWHGLIPKBYPLA-DTWKUNHWSA-N 0 0 326.227 4.666 50 0 EJAARN Cc1cc(Nc2cccc(Cl)c2)n2nc(-c3ccccc3C)nc2n1 ZINC000006748197 201694948 /nfs/dbraw/zinc/69/49/48/201694948.db2.gz ZKGZLCIYWYIHIQ-UHFFFAOYSA-N 0 0 349.825 4.805 50 0 EJAARN Cc1cc(SCC(=O)Nc2cc(F)ccc2F)nc2ccccc12 ZINC000006788607 201698363 /nfs/dbraw/zinc/69/83/63/201698363.db2.gz PFHWVWVIJKXOBB-UHFFFAOYSA-N 0 0 344.386 4.552 50 0 EJAARN O=C(Nc1cccc2cnccc21)N[C@@H]1CCSc2ccccc21 ZINC000053962558 214208193 /nfs/dbraw/zinc/20/81/93/214208193.db2.gz PKJPDIQLFSHGPO-QGZVFWFLSA-N 0 0 335.432 4.593 50 0 EJAARN O=C([C@@H]1CC=CCC1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000053988077 214209448 /nfs/dbraw/zinc/20/94/48/214209448.db2.gz SKJOPFOKSHPKRJ-CQSZACIVSA-N 0 0 344.842 4.544 50 0 EJAARN c1ccc(-c2nnc(SCCCc3nc4ccccc4o3)o2)cc1 ZINC000054202979 214224420 /nfs/dbraw/zinc/22/44/20/214224420.db2.gz ZBLOAAAQTUJYKW-UHFFFAOYSA-N 0 0 337.404 4.603 50 0 EJAARN CCOc1ccccc1OCCOc1ccc(Cl)cc1Cl ZINC000004701973 210253030 /nfs/dbraw/zinc/25/30/30/210253030.db2.gz QHFOFVFTGUEVID-UHFFFAOYSA-N 0 0 327.207 4.850 50 0 EJAARN CC[C@H](NC(=O)N[C@H]1CCCOc2ccc(F)cc21)c1cccs1 ZINC000054783221 214254996 /nfs/dbraw/zinc/25/49/96/214254996.db2.gz RSGVVVAKOLFAKS-GJZGRUSLSA-N 0 0 348.443 4.551 50 0 EJAARN CC(C)(C)c1ccc(C(=O)NCCSCc2ccccc2)cc1 ZINC000004690875 210249588 /nfs/dbraw/zinc/24/95/88/210249588.db2.gz GDNIJQWXMQFAGR-UHFFFAOYSA-N 0 0 327.493 4.647 50 0 EJAARN Cc1cc([C@H]2CCCN2Cc2ccc3cccc(Cl)c3n2)on1 ZINC000097772717 219055628 /nfs/dbraw/zinc/05/56/28/219055628.db2.gz OELRLAVTYPFZHK-MRXNPFEDSA-N 0 0 327.815 4.522 50 0 EJAARN O=C(NC(=S)N(c1ccccc1)c1ccccc1)c1cccs1 ZINC000004688099 210248212 /nfs/dbraw/zinc/24/82/12/210248212.db2.gz BHXDMYVIHYWRRL-UHFFFAOYSA-N 0 0 338.457 4.601 50 0 EJAARN CC[C@@H](C)c1ccccc1NC(=O)c1ccc(COC(C)=O)cc1 ZINC000006935990 201706611 /nfs/dbraw/zinc/70/66/11/201706611.db2.gz FLWNLJDXRJGRDF-CQSZACIVSA-N 0 0 325.408 4.516 50 0 EJAARN CCCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1OC ZINC000004681592 210246683 /nfs/dbraw/zinc/24/66/83/210246683.db2.gz UZQFIKIXUGICTR-UHFFFAOYSA-N 0 0 333.815 4.698 50 0 EJAARN COc1ccc(-c2cn3cc(-c4ccc(Cl)cc4)n(C)c3n2)cc1 ZINC000004678576 210243764 /nfs/dbraw/zinc/24/37/64/210243764.db2.gz UFCSSHRIWACRRX-UHFFFAOYSA-N 0 0 337.810 4.669 50 0 EJAARN Cc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)c(Cl)c1 ZINC000057412673 214426685 /nfs/dbraw/zinc/42/66/85/214426685.db2.gz KSJYDMIXOYKMBI-UHFFFAOYSA-N 0 0 346.217 4.944 50 0 EJAARN S=C1N=C2C(=Cc3ccccc3)CCCC2[C@H](c2ccccc2)N1 ZINC000057531541 214435321 /nfs/dbraw/zinc/43/53/21/214435321.db2.gz OIWFTKSWHDPJCN-FCUDFIOSSA-N 0 0 332.472 4.727 50 0 EJAARN COc1ccccc1[C@H](C)N(C)C(=O)Nc1ccccc1OC(C)C ZINC000058028672 214474117 /nfs/dbraw/zinc/47/41/17/214474117.db2.gz WDXGAVONPSHQDX-HNNXBMFYSA-N 0 0 342.439 4.707 50 0 EJAARN CCOC(=O)c1ccc(Cl)c(NC(=O)[C@@H](CC)c2ccccc2)c1 ZINC000004660001 210239426 /nfs/dbraw/zinc/23/94/26/210239426.db2.gz HSDGSVVNVWAMFV-HNNXBMFYSA-N 0 0 345.826 4.649 50 0 EJAARN O=S(=O)(/C=C\c1ccccc1)Oc1ccccc1-c1ccccc1 ZINC000097992336 219066745 /nfs/dbraw/zinc/06/67/45/219066745.db2.gz JCDCJKFCJQILIL-NXVVXOECSA-N 0 0 336.412 4.733 50 0 EJAARN CCc1c(C)scc1C(=O)NCCC12CC3CC(CC(C3)C1)C2 ZINC000004651943 210237922 /nfs/dbraw/zinc/23/79/22/210237922.db2.gz FZFNBVNNDVIVFH-UHFFFAOYSA-N 0 0 331.525 4.955 50 0 EJAARN CCCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1csc(C2CC2)n1 ZINC000063496084 214758882 /nfs/dbraw/zinc/75/88/82/214758882.db2.gz OFWKZBVEJSDXTK-OAHLLOKOSA-N 0 0 347.871 4.650 50 0 EJAARN O=C(c1ccc2c(c1)CCO2)N(CCc1ccccc1)c1ccccc1 ZINC000058412519 214578420 /nfs/dbraw/zinc/57/84/20/214578420.db2.gz BGNVWVLIOWQMTB-UHFFFAOYSA-N 0 0 343.426 4.511 50 0 EJAARN Cc1cc(C)c(CNC(=O)Nc2ccc3oc(C4CC4)nc3c2)c(C)c1 ZINC000058421389 214581494 /nfs/dbraw/zinc/58/14/94/214581494.db2.gz GGCDFAMHWUDYRE-UHFFFAOYSA-N 0 0 349.434 4.952 50 0 EJAARN CN(Cc1cccc2ccccc21)C(=O)Cc1cn(C)c2ccccc12 ZINC000058427650 214584634 /nfs/dbraw/zinc/58/46/34/214584634.db2.gz DWFVTLLELHMVOZ-UHFFFAOYSA-N 0 0 342.442 4.533 50 0 EJAARN CCCCc1noc([C@@H](C)Sc2nc3ccccc3n2CC)n1 ZINC000058656280 214600692 /nfs/dbraw/zinc/60/06/92/214600692.db2.gz KXRSCMIGPRAAFC-GFCCVEGCSA-N 0 0 330.457 4.635 50 0 EJAARN Cc1ccc(NC2(c3nnnn3-c3ccccc3C)CCCCC2)cc1 ZINC000004608279 210230569 /nfs/dbraw/zinc/23/05/69/210230569.db2.gz GXCWESUVIJEBQH-UHFFFAOYSA-N 0 0 347.466 4.551 50 0 EJAARN Cc1ccc(CC(=O)N[C@@H](CC(C)C)c2nc3ccccc3[nH]2)cc1C ZINC000049574791 214019833 /nfs/dbraw/zinc/01/98/33/214019833.db2.gz MUIGHBPFQYLCMX-FQEVSTJZSA-N 0 0 349.478 4.626 50 0 EJAARN Cc1ccc(C2=N/C(=C\c3ccc(Cl)cc3Cl)C(=O)O2)cc1 ZINC000004588613 210228265 /nfs/dbraw/zinc/22/82/65/210228265.db2.gz UVGMRHUZAGZHHY-NVNXTCNLSA-N 0 0 332.186 4.646 50 0 EJAARN CN(Cc1cccc(O)c1)C(=O)c1sc2ccccc2c1Cl ZINC000059885818 214624773 /nfs/dbraw/zinc/62/47/73/214624773.db2.gz XHNAIAFPJGBIBT-UHFFFAOYSA-N 0 0 331.824 4.533 50 0 EJAARN Cc1ccc(C2=N/C(=C\c3cccc(Cl)c3Cl)C(=O)O2)cc1 ZINC000004588576 210228049 /nfs/dbraw/zinc/22/80/49/210228049.db2.gz JMCXSIAIXDATPL-ZROIWOOFSA-N 0 0 332.186 4.646 50 0 EJAARN Cc1cc2nc(NC(=O)c3nc4ccccc4s3)sc2cc1C ZINC000004586150 210227453 /nfs/dbraw/zinc/22/74/53/210227453.db2.gz WQIDOQTUEFSOMG-UHFFFAOYSA-N 0 0 339.445 4.775 50 0 EJAARN CCOC(=O)/C=C1\N[C@@]2(C)CCCC[C@@H]2c2c3ccccc3ccc21 ZINC000004580280 210225821 /nfs/dbraw/zinc/22/58/21/210225821.db2.gz VAZRPGPBFIBQRT-KGPVVAHJSA-N 0 0 335.447 4.763 50 0 EJAARN CC(C)(C)n1ncc2c1NC(=O)C[C@H]2c1cccc(Br)c1 ZINC000049545045 214016179 /nfs/dbraw/zinc/01/61/79/214016179.db2.gz FEVGLDZXDQCOOG-LBPRGKRZSA-N 0 0 348.244 4.524 50 0 EJAARN CCN(C(=O)c1cc2c(s1)c1ccccc1oc2=O)c1ccccc1 ZINC000004563704 210221486 /nfs/dbraw/zinc/22/14/86/210221486.db2.gz GPOBIWIPHIHVQI-UHFFFAOYSA-N 0 0 349.411 4.674 50 0 EJAARN CC[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OC)c2)N3)C1 ZINC000004545507 210219255 /nfs/dbraw/zinc/21/92/55/210219255.db2.gz GWIOFSINHGOLCE-GTNSWQLSSA-N 0 0 342.464 4.701 50 0 EJAARN CNc1nc2c(s1)[C@H](c1c(Cl)cccc1Cl)CC(=O)N2 ZINC000061717584 214673188 /nfs/dbraw/zinc/67/31/88/214673188.db2.gz SBTJFNYPCIJVAV-LURJTMIESA-N 0 0 328.224 4.615 50 0 EJAARN O=C(COc1c(Cl)cc(Cl)cc1Cl)Nc1ccc(F)cc1 ZINC000004542146 210218323 /nfs/dbraw/zinc/21/83/23/210218323.db2.gz UVURXQIZSXVTHY-UHFFFAOYSA-N 0 0 348.588 4.803 50 0 EJAARN Cc1c(Cl)cccc1NC(=O)COc1c(Cl)cccc1Cl ZINC000004542117 210218099 /nfs/dbraw/zinc/21/80/99/210218099.db2.gz RGZGSDWWUKDMNU-UHFFFAOYSA-N 0 0 344.625 4.973 50 0 EJAARN C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccc4ccccc42)N3)C1 ZINC000004543305 210218113 /nfs/dbraw/zinc/21/81/13/210218113.db2.gz FJCFFPKEYQKCJE-BUXKBTBVSA-N 0 0 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/nfs/dbraw/zinc/31/16/81/202311681.db2.gz VTDUFFYSKQADOG-UHFFFAOYSA-N 0 0 334.419 4.539 50 0 EJAARN Cc1ccc(-c2cc(CN(CC(C)C)C(=O)C(C)C)no2)cc1C ZINC000036012131 202312261 /nfs/dbraw/zinc/31/22/61/202312261.db2.gz DRUFIUQSBPSQRU-UHFFFAOYSA-N 0 0 328.456 4.599 50 0 EJAARN Cc1cccc(NC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)c1C ZINC000072238586 216077303 /nfs/dbraw/zinc/07/73/03/216077303.db2.gz JBWPAFKOKHQHAQ-UHFFFAOYSA-N 0 0 341.794 4.624 50 0 EJAARN CCC[C@H](CNC(=O)c1cc(-c2ccc(C)cc2)on1)c1ccccc1 ZINC000072238633 216077478 /nfs/dbraw/zinc/07/74/78/216077478.db2.gz YAXDLRMUNAWLHL-LJQANCHMSA-N 0 0 348.446 4.964 50 0 EJAARN Cc1c(NC(=O)c2ccc(C(C)C)cc2)cccc1NC(=O)C1CC1 ZINC000036568007 202326137 /nfs/dbraw/zinc/32/61/37/202326137.db2.gz PBJQTPHQYJQFMF-UHFFFAOYSA-N 0 0 336.435 4.719 50 0 EJAARN O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@@H]1c1ccccc1F ZINC000036620803 202326969 /nfs/dbraw/zinc/32/69/69/202326969.db2.gz WDSXEFXHUONQJI-MRXNPFEDSA-N 0 0 337.316 4.822 50 0 EJAARN COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000036619695 202327101 /nfs/dbraw/zinc/32/71/01/202327101.db2.gz WBSWUBYJAZPGFD-GOSISDBHSA-N 0 0 328.387 4.512 50 0 EJAARN Cc1ccc(-c2nnc(SCc3nc4ccccc4nc3C)o2)cc1 ZINC000036832798 202331544 /nfs/dbraw/zinc/33/15/44/202331544.db2.gz VLCLLYHXOQUKSB-UHFFFAOYSA-N 0 0 348.431 4.589 50 0 EJAARN c1ccc2[nH]c(SCCCSc3nc4ccccc4[nH]3)nc2c1 ZINC000030835842 212710948 /nfs/dbraw/zinc/71/09/48/212710948.db2.gz PHJOCMKEARNPNP-UHFFFAOYSA-N 0 0 340.477 4.714 50 0 EJAARN C[C@H](NCc1cnn(C(C)(C)C)c1)c1nc(-c2ccccc2)cs1 ZINC000072271302 216094346 /nfs/dbraw/zinc/09/43/46/216094346.db2.gz NMUOIYOSPNBQHQ-AWEZNQCLSA-N 0 0 340.496 4.612 50 0 EJAARN COc1ccccc1NC(=O)NC(C)(c1ccccc1)c1ccccc1 ZINC000072271034 216094992 /nfs/dbraw/zinc/09/49/92/216094992.db2.gz NVNMTPGLVMVKIW-UHFFFAOYSA-N 0 0 346.430 4.780 50 0 EJAARN Cc1cc(O[C@@H]2CCCCC2=O)c2c(c1)oc(=O)cc2-c1ccccc1 ZINC000000407879 209573330 /nfs/dbraw/zinc/57/33/30/209573330.db2.gz DBFWYIJIFCCVBI-GOSISDBHSA-N 0 0 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50 0 EJAARN Cc1cccc(C(=O)Oc2ccccc2OC(=O)c2cccc(C)c2)c1 ZINC000000383631 209562200 /nfs/dbraw/zinc/56/22/00/209562200.db2.gz SHEMVNINUQUWOM-UHFFFAOYSA-N 0 0 346.382 4.742 50 0 EJAARN Cc1ccc2cccc(Oc3ncnc4sc5c(c43)CCC5)c2n1 ZINC000000390191 209566464 /nfs/dbraw/zinc/56/64/64/209566464.db2.gz BKQKELMDWVBPJB-UHFFFAOYSA-N 0 0 333.416 4.829 50 0 EJAARN COC(=O)c1cc(Nc2ccc(C)c(F)c2)c2cc(Cl)ccc2n1 ZINC000038486601 202402513 /nfs/dbraw/zinc/40/25/13/202402513.db2.gz NNJCDGGTAHJDOZ-UHFFFAOYSA-N 0 0 344.773 4.866 50 0 EJAARN O=C(Nc1ccc(Cl)cc1)c1ccccc1NC(=O)C1CCCC1 ZINC000000365487 209553397 /nfs/dbraw/zinc/55/33/97/209553397.db2.gz NUTRADAOTBYRBF-UHFFFAOYSA-N 0 0 342.826 4.721 50 0 EJAARN COc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1 ZINC000000363040 209552254 /nfs/dbraw/zinc/55/22/54/209552254.db2.gz OGXFAEFHRVFMRD-UHFFFAOYSA-N 0 0 331.415 4.856 50 0 EJAARN CCOc1c(CNc2nc3ccc(Cl)cc3s2)cccc1OC ZINC000000360436 209551170 /nfs/dbraw/zinc/55/11/70/209551170.db2.gz RAYCQQOJFRRBDS-UHFFFAOYSA-N 0 0 348.855 4.969 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IHSYBBBLIDKPTI-UHFFFAOYSA-N 0 0 341.418 4.690 50 0 EJAARN CCc1nnc(NC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)s1 ZINC000000292929 209521082 /nfs/dbraw/zinc/52/10/82/209521082.db2.gz GKTQJFKOMZQZSB-UHFFFAOYSA-N 0 0 345.512 4.948 50 0 EJAARN COc1ccc2c(c1)[C@H](OC(C)=O)C(C)(C)[C@@H](c1ccc(F)cc1)N2 ZINC000000285448 209518417 /nfs/dbraw/zinc/51/84/17/209518417.db2.gz DSAQHSCMMOOKBN-MOPGFXCFSA-N 0 0 343.398 4.632 50 0 EJAARN CC(C)OC(=O)Nc1ccc(NC(=O)OC(C)C)c(C(F)(F)F)c1 ZINC000000232016 209496451 /nfs/dbraw/zinc/49/64/51/209496451.db2.gz ICLGDDYHKLISMD-UHFFFAOYSA-N 0 0 348.321 4.619 50 0 EJAARN O=C(CCn1ccc2c1cccc2Cl)Nc1cccc2[nH]ccc21 ZINC000072325296 216151139 /nfs/dbraw/zinc/15/11/39/216151139.db2.gz SOGITJIKBWROCU-UHFFFAOYSA-N 0 0 337.810 4.805 50 0 biogenic EJAARN CCOc1ccc(-c2cc(C(=O)N3CCCC3)c3ccccc3n2)cc1 ZINC000000217842 209490562 /nfs/dbraw/zinc/49/05/62/209490562.db2.gz DQXSPZPGYSAEQG-UHFFFAOYSA-N 0 0 346.430 4.537 50 0 EJAARN COC(=O)c1cc(-c2cccs2)nc2ccc(Br)cc21 ZINC000000211073 209485530 /nfs/dbraw/zinc/48/55/30/209485530.db2.gz FWDKPDZTMJUKOB-UHFFFAOYSA-N 0 0 348.221 4.512 50 0 EJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(F)cc1F ZINC000000196262 209478275 /nfs/dbraw/zinc/47/82/75/209478275.db2.gz UGRMYQZXULWPAP-UHFFFAOYSA-N 0 0 348.736 4.834 50 0 EJAARN Cc1ccc2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2n1 ZINC000000158491 209457588 /nfs/dbraw/zinc/45/75/88/209457588.db2.gz IRIJRQVVHKFROB-UHFFFAOYSA-N 0 0 345.324 4.518 50 0 EJAARN Cc1ccccc1N(C(=O)Nc1ccccc1)C1=NCC(C)(C)S1 ZINC000000162112 209459324 /nfs/dbraw/zinc/45/93/24/209459324.db2.gz DWLUZDHQRQIICC-UHFFFAOYSA-N 0 0 339.464 4.915 50 0 EJAARN CC(C)c1ccc([C@H]2CC(=O)Nc3c2cnn3Cc2ccco2)cc1 ZINC000072402942 216195185 /nfs/dbraw/zinc/19/51/85/216195185.db2.gz IANDTESZKAYNPO-QGZVFWFLSA-N 0 0 335.407 4.771 50 0 EJAARN Cc1cc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)no1 ZINC000000148404 209451936 /nfs/dbraw/zinc/45/19/36/209451936.db2.gz OWKZNZHMOJMFBX-UHFFFAOYSA-N 0 0 349.415 4.820 50 0 EJAARN O=C(NCc1ccc(C(F)(F)F)cc1)c1cc(Cl)cc(Cl)c1 ZINC000000142071 209446541 /nfs/dbraw/zinc/44/65/41/209446541.db2.gz SRKVEIRNBKLZCE-UHFFFAOYSA-N 0 0 348.151 4.942 50 0 EJAARN CC(C)(C)CC(C)(C)NC(=O)c1cccnc1Oc1ccccc1 ZINC000000150702 209453909 /nfs/dbraw/zinc/45/39/09/209453909.db2.gz PCYQBAKWCZFBGL-UHFFFAOYSA-N 0 0 326.440 4.819 50 0 EJAARN Cc1ccc(Cl)cc1NC(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000000133308 209442284 /nfs/dbraw/zinc/44/22/84/209442284.db2.gz JJUZMCWETSYNRQ-UHFFFAOYSA-N 0 0 338.234 4.936 50 0 EJAARN O=C1C(Nc2ccccc2)=C[C@H](c2ccccc2)N1c1ccccc1 ZINC000000134170 209441579 /nfs/dbraw/zinc/44/15/79/209441579.db2.gz QIBLHYFLABKMHD-OAQYLSRUSA-N 0 0 326.399 4.771 50 0 EJAARN CCc1c(C)scc1C(=O)N(C)Cc1cc(-c2ccccc2)no1 ZINC000072410709 216202495 /nfs/dbraw/zinc/20/24/95/216202495.db2.gz KTEKSLHIPZJORB-UHFFFAOYSA-N 0 0 340.448 4.546 50 0 EJAARN c1csc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2)c1 ZINC000000115103 209430208 /nfs/dbraw/zinc/43/02/08/209430208.db2.gz PPEFRUATYSNLBV-FXAWDEMLSA-N 0 0 332.428 4.990 50 0 EJAARN Cc1cc(C)c(OCC(=O)Nc2cccc(Cl)c2Cl)c(C)c1 ZINC000000114005 209429173 /nfs/dbraw/zinc/42/91/73/209429173.db2.gz GBBADNAQERISRO-UHFFFAOYSA-N 0 0 338.234 4.936 50 0 EJAARN CCCc1c2c(nn1-c1ccccc1F)C[C@H](c1ccccc1)CC2=O ZINC000000111210 209428024 /nfs/dbraw/zinc/42/80/24/209428024.db2.gz QGFBOLHMTMRFTJ-INIZCTEOSA-N 0 0 348.421 4.877 50 0 EJAARN CC(C)(C)C(=O)OCc1nc(-c2ccc(C(F)(F)F)cc2)cs1 ZINC000000076928 209404092 /nfs/dbraw/zinc/40/40/92/209404092.db2.gz JMCXDONPICUASK-UHFFFAOYSA-N 0 0 343.370 4.918 50 0 EJAARN Fc1cccc([C@@H]2CCCCN2Cc2cnc(N3CCCC3)s2)c1 ZINC000072422238 216210114 /nfs/dbraw/zinc/21/01/14/216210114.db2.gz XBMLQRAVSLPABT-SFHVURJKSA-N 0 0 345.487 4.610 50 0 EJAARN CCOc1ccccc1Nc1ncnc2ccc(Br)cc21 ZINC000000084945 209409320 /nfs/dbraw/zinc/40/93/20/209409320.db2.gz VWLSZPJZTQLOJS-UHFFFAOYSA-N 0 0 344.212 4.535 50 0 EJAARN FC(F)(F)c1ccc2nnc(-c3ccc(Cl)cc3Cl)n2c1 ZINC000000080331 209406998 /nfs/dbraw/zinc/40/69/98/209406998.db2.gz TUGHYYZVWQYGTJ-UHFFFAOYSA-N 0 0 332.112 4.722 50 0 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ZINC000023127270 212350625 /nfs/dbraw/zinc/35/06/25/212350625.db2.gz KRQZNQJWFQNMTI-AWEZNQCLSA-N 0 0 346.386 4.508 50 0 EJAARN CCCCCc1ccc(NC(=O)c2cc3ccccc3c(=O)[nH]2)cc1 ZINC000023003706 212341811 /nfs/dbraw/zinc/34/18/11/212341811.db2.gz BJSDDOZVAIIUON-UHFFFAOYSA-N 0 0 334.419 4.513 50 0 EJAARN COc1ccc2cc([C@@H](C)C(=O)NCCC3=CCCCC3)ccc2c1 ZINC000023053323 212343603 /nfs/dbraw/zinc/34/36/03/212343603.db2.gz ZNIYUJKZEKTSRF-MRXNPFEDSA-N 0 0 337.463 4.959 50 0 EJAARN O=C(CSCc1ccc(Cl)cc1)Nc1cccc(Cl)c1 ZINC000000059383 201427476 /nfs/dbraw/zinc/42/74/76/201427476.db2.gz RLDACGQLXCZUHO-UHFFFAOYSA-N 0 0 326.248 4.865 50 0 EJAARN COc1cccc(-n2ccnc2SCc2cccc3cccnc32)c1 ZINC000022886346 212331710 /nfs/dbraw/zinc/33/17/10/212331710.db2.gz SJKICMIOOSDVAZ-UHFFFAOYSA-N 0 0 347.443 4.721 50 0 EJAARN Cc1ccc(-c2csc(NC(=O)c3cc(Cl)ccn3)n2)cc1C ZINC000022570369 212306618 /nfs/dbraw/zinc/30/66/18/212306618.db2.gz GJIUSQHYYNPDIU-UHFFFAOYSA-N 0 0 343.839 4.728 50 0 EJAARN Cc1noc(-c2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)n1 ZINC000022458105 212298808 /nfs/dbraw/zinc/29/88/08/212298808.db2.gz FVZYEGMPROAWHT-UHFFFAOYSA-N 0 0 335.407 4.595 50 0 EJAARN O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1cccnc1 ZINC000000099341 201434028 /nfs/dbraw/zinc/43/40/28/201434028.db2.gz PTZUPCNLXLJMFH-UHFFFAOYSA-N 0 0 349.777 4.796 50 0 EJAARN CCOC(=O)c1cnc2c(Cl)cccc2c1NCc1ccccc1 ZINC000000104168 201435255 /nfs/dbraw/zinc/43/52/55/201435255.db2.gz CXQOLMDNDDUYHX-UHFFFAOYSA-N 0 0 340.810 4.677 50 0 EJAARN O=C(c1ccc(COc2ccccc2Cl)o1)N1CCCCCC1 ZINC000000115573 201436250 /nfs/dbraw/zinc/43/62/50/201436250.db2.gz MKRVVBQAJLOUNY-UHFFFAOYSA-N 0 0 333.815 4.528 50 0 EJAARN Cc1nc(Sc2nc3c(Cl)c(C)nn3c3ccccc32)oc1C ZINC000022406310 212295745 /nfs/dbraw/zinc/29/57/45/212295745.db2.gz KDQBTZKVIRKNJF-UHFFFAOYSA-N 0 0 344.827 4.600 50 0 EJAARN CC(C)=CC(=O)N1CCc2ccccc2[C@@H]1c1ccc(Cl)cc1 ZINC000022344672 212293403 /nfs/dbraw/zinc/29/34/03/212293403.db2.gz RGBQOUKSPQNUIU-FQEVSTJZSA-N 0 0 325.839 4.780 50 0 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0 EJAARN CCCOc1cc(/C=C2/C(=O)Nc3ccc(Cl)cc32)ccc1OC ZINC000013113021 211522965 /nfs/dbraw/zinc/52/29/65/211522965.db2.gz WYSFGDKDMVOOCK-OQLLNIDSSA-N 0 0 343.810 4.630 50 0 EJAARN COc1ccc(-c2nnc([C@H](C)Sc3ncccc3Cl)o2)cc1 ZINC000012997995 211505025 /nfs/dbraw/zinc/50/50/25/211505025.db2.gz OPCKZZNOGCMKIP-JTQLQIEISA-N 0 0 347.827 4.647 50 0 EJAARN C[C@H](NC(=O)N(C)Cc1cccc(Cl)c1Cl)c1cccs1 ZINC000012984836 211500825 /nfs/dbraw/zinc/50/08/25/211500825.db2.gz KKEURBOQGGLZEO-JTQLQIEISA-N 0 0 343.279 4.958 50 0 EJAARN Cc1ccc(-c2nc(C(=O)N(C)Cc3cccc(F)c3)cs2)cc1 ZINC000012982689 211500602 /nfs/dbraw/zinc/50/06/02/211500602.db2.gz MEUJFKDDDXYANE-UHFFFAOYSA-N 0 0 340.423 4.530 50 0 EJAARN C[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1cc2ccccc2o1 ZINC000012976983 211497680 /nfs/dbraw/zinc/49/76/80/211497680.db2.gz OLINZXNMAGPZAB-LLVKDONJSA-N 0 0 333.309 4.943 50 0 EJAARN CCCOc1ccc2cc(C(=O)c3[nH]c(C)c(C(C)=O)c3C)oc2c1 ZINC000012972453 211494590 /nfs/dbraw/zinc/49/45/90/211494590.db2.gz HCYDMLGSILJKBW-UHFFFAOYSA-N 0 0 339.391 4.600 50 0 EJAARN O=c1c2cc(Cl)ccc2nc2n1CC/C2=C\c1cccc(Cl)c1 ZINC000012816841 211463799 /nfs/dbraw/zinc/46/37/99/211463799.db2.gz PEBCIPBBMSFUBC-XYOKQWHBSA-N 0 0 343.213 4.648 50 0 EJAARN Cc1ccccc1/C=C/c1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000012806076 211462054 /nfs/dbraw/zinc/46/20/54/211462054.db2.gz MTRVYWPAYDOVSC-FOCLMDBBSA-N 0 0 338.410 4.865 50 0 EJAARN C[C@H](NC(=O)CCc1c[nH]c2ccccc12)c1cc2ccccc2o1 ZINC000012736137 211441659 /nfs/dbraw/zinc/44/16/59/211441659.db2.gz GSQJRORNBRYCID-AWEZNQCLSA-N 0 0 332.403 4.724 50 0 EJAARN CC(C)(C)C(=O)Nc1cccc(NC(=O)c2cc(Cl)ccc2F)c1 ZINC000012764397 211449982 /nfs/dbraw/zinc/44/99/82/211449982.db2.gz AJQDOJFWADDVRC-UHFFFAOYSA-N 0 0 348.805 4.716 50 0 EJAARN CCc1ccc(C(=O)c2c(-c3ccccc3)nc3sccn32)cc1 ZINC000012541325 211404184 /nfs/dbraw/zinc/40/41/84/211404184.db2.gz MRVQOBCIHJXYMX-UHFFFAOYSA-N 0 0 332.428 4.856 50 0 EJAARN Cc1ccccc1NC(=O)Cc1nc(-c2ccc(F)cc2F)cs1 ZINC000012599359 211420852 /nfs/dbraw/zinc/42/08/52/211420852.db2.gz VIJBORZZZCCHRX-UHFFFAOYSA-N 0 0 344.386 4.578 50 0 EJAARN CC(C)c1ccc(NC(=O)Cc2cc(-c3cccs3)on2)cc1 ZINC000012422246 211376876 /nfs/dbraw/zinc/37/68/76/211376876.db2.gz CEMISEXNCXTKNV-UHFFFAOYSA-N 0 0 326.421 4.708 50 0 EJAARN Cc1sc2[nH]c([C@@H](C)Nc3ccc(C(C)C)cc3)nc(=O)c2c1C ZINC000012517206 211396807 /nfs/dbraw/zinc/39/68/07/211396807.db2.gz QWFABHIVKVXKOA-GFCCVEGCSA-N 0 0 341.480 4.898 50 0 EJAARN Cc1ccc(C)c(S[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 ZINC000012475435 211391904 /nfs/dbraw/zinc/39/19/04/211391904.db2.gz KPQWXEVLDAZYTO-GOSISDBHSA-N 0 0 329.440 4.555 50 0 EJAARN Cc1ccc(C)c(Cn2c3ccccc3nc2[C@@H](O)c2ccccc2)c1 ZINC000012447214 211385113 /nfs/dbraw/zinc/38/51/13/211385113.db2.gz OKQFDWXQQHKMDA-QFIPXVFZSA-N 0 0 342.442 4.783 50 0 EJAARN CC(C)c1ccc(N[C@@H]2CCCN(C(=O)CC3CCCC3)C2)cc1 ZINC000012432084 211380500 /nfs/dbraw/zinc/38/05/00/211380500.db2.gz HIEOLCFWYJVLFW-HXUWFJFHSA-N 0 0 328.500 4.793 50 0 EJAARN Cc1cc(SCC(=O)N[C@H](C)c2ccccc2)nc2ccccc12 ZINC000012418197 211374963 /nfs/dbraw/zinc/37/49/63/211374963.db2.gz RRJPZCNTFHHLPE-OAHLLOKOSA-N 0 0 336.460 4.513 50 0 EJAARN CC[C@H](NC1=CC(=O)OC12CCCCC2)C12CC3CC(CC(C3)C1)C2 ZINC000012418786 211374542 /nfs/dbraw/zinc/37/45/42/211374542.db2.gz SWXJXPQCUJPXRU-QQABJKMWSA-N 0 0 343.511 4.715 50 0 EJAARN O=C(Nc1cccc2ccccc21)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000012406131 211370284 /nfs/dbraw/zinc/37/02/84/211370284.db2.gz NYNTVMYIMMRZJD-IBGZPJMESA-N 0 0 347.414 4.650 50 0 EJAARN Cc1cnc(NC(=O)[C@@H](C)c2ccc(-c3ccccc3)c(F)c2)s1 ZINC000012407534 211370047 /nfs/dbraw/zinc/37/00/47/211370047.db2.gz VMBKYGOMLSZGIQ-ZDUSSCGKSA-N 0 0 340.423 5.000 50 0 EJAARN Cc1ccsc1-c1nn2c(nnc2-c2ccccc2Cl)s1 ZINC000012391077 211366993 /nfs/dbraw/zinc/36/69/93/211366993.db2.gz DCLUEINTRBBUBK-UHFFFAOYSA-N 0 0 332.841 4.543 50 0 EJAARN C[C@H](NC(=O)c1sc2cc(F)ccc2c1Cl)c1ccncc1 ZINC000012383954 211363410 /nfs/dbraw/zinc/36/34/10/211363410.db2.gz WWOCZJVVEUTKBN-VIFPVBQESA-N 0 0 334.803 4.580 50 0 EJAARN C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(F)(F)F ZINC000012380918 211362123 /nfs/dbraw/zinc/36/21/23/211362123.db2.gz FGEKDDAHXLCDKZ-JTQLQIEISA-N 0 0 343.732 4.765 50 0 EJAARN C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1c(F)cccc1F ZINC000012380746 211361598 /nfs/dbraw/zinc/36/15/98/211361598.db2.gz KLELVSKSUJLDQO-GFCCVEGCSA-N 0 0 327.330 4.524 50 0 EJAARN O=C(Nc1ccc(C(=O)c2cc3ccccc3o2)cc1)c1ccco1 ZINC000012323276 211347367 /nfs/dbraw/zinc/34/73/67/211347367.db2.gz BXILNWCPWSNLOL-UHFFFAOYSA-N 0 0 331.327 4.509 50 0 EJAARN CCCCCc1nc2ccccc2n1CC(=O)Nc1ccc(C)cc1 ZINC000012311982 211342593 /nfs/dbraw/zinc/34/25/93/211342593.db2.gz MLZQNGYHUJUWLH-UHFFFAOYSA-N 0 0 335.451 4.716 50 0 EJAARN Cc1c2cc(C)ccc2oc1C(=O)N(C)Cc1cccc2cccnc21 ZINC000012300085 211336571 /nfs/dbraw/zinc/33/65/71/211336571.db2.gz KSRVBKHNRGTQJU-UHFFFAOYSA-N 0 0 344.414 4.870 50 0 EJAARN Oc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000012275978 211333373 /nfs/dbraw/zinc/33/33/73/211333373.db2.gz ZJTSWZBWWAXWJL-IRLDBZIGSA-N 0 0 342.398 4.635 50 0 EJAARN C[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000012273851 211332265 /nfs/dbraw/zinc/33/22/65/211332265.db2.gz RBWGKDKKNHJEOR-MGPLVRAMSA-N 0 0 333.218 4.883 50 0 EJAARN O=C(NC1CC1)[C@@H](SCc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000012260234 211331339 /nfs/dbraw/zinc/33/13/39/211331339.db2.gz BTBSYDISSFJRMF-KRWDZBQOSA-N 0 0 349.858 4.732 50 0 EJAARN CC(C)C(=O)N1CCC[C@H](c2n[nH]cc2-c2cccc3ccccc32)C1 ZINC000012246252 211329401 /nfs/dbraw/zinc/32/94/01/211329401.db2.gz MCILGKIXFGOKMZ-KRWDZBQOSA-N 0 0 347.462 4.592 50 0 EJAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(C)cc3)c12 ZINC000012227245 211325811 /nfs/dbraw/zinc/32/58/11/211325811.db2.gz PEYTXEUPYMJSDX-UHFFFAOYSA-N 0 0 343.386 4.759 50 0 EJAARN Cc1ccccc1NC(=O)N(Cc1ccoc1)Cc1cccs1 ZINC000090612228 217944838 /nfs/dbraw/zinc/94/48/38/217944838.db2.gz IKJRDTZNGYBXGU-UHFFFAOYSA-N 0 0 326.421 4.884 50 0 EJAARN CC[C@@H](C)C(=O)NC[C@@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1 ZINC000012167234 211310262 /nfs/dbraw/zinc/31/02/62/211310262.db2.gz 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/nfs/dbraw/zinc/27/75/90/211277590.db2.gz CRBSZBDDFXROND-UHFFFAOYSA-N 0 0 349.459 4.573 50 0 EJAARN Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N(Cc1ccncc1)CC(C)C ZINC000091452004 218008127 /nfs/dbraw/zinc/00/81/27/218008127.db2.gz RMRQURALCJEIGK-UHFFFAOYSA-N 0 0 349.478 4.787 50 0 EJAARN Cc1c2cc(Cl)c(C)cc2oc1C(=O)Nc1onc2c1CCCC2 ZINC000011914761 211268741 /nfs/dbraw/zinc/26/87/41/211268741.db2.gz NNPLGTYOYYOMQF-UHFFFAOYSA-N 0 0 344.798 4.822 50 0 EJAARN COc1ccc(N(Cc2cccs2)C(=O)c2cccs2)cc1 ZINC000011916517 211268544 /nfs/dbraw/zinc/26/85/44/211268544.db2.gz FEVPDRVGBYYVCL-UHFFFAOYSA-N 0 0 329.446 4.665 50 0 EJAARN Cc1ccc(CN(C(=O)c2ccccc2Cl)c2ccccn2)cc1 ZINC000011914732 211267426 /nfs/dbraw/zinc/26/74/26/211267426.db2.gz GWECMWMCWCSQMW-UHFFFAOYSA-N 0 0 336.822 4.890 50 0 EJAARN COc1ccc(-c2cc(=O)oc3cc4c(cc32)CCC(C)(C)O4)cc1 ZINC000011865528 211261327 /nfs/dbraw/zinc/26/13/27/211261327.db2.gz QWHVNRXOKUBOJV-UHFFFAOYSA-N 0 0 336.387 4.572 50 0 EJAARN CCOc1ccc(NC(=O)c2c(C)oc3ccc(OCC)cc32)cc1 ZINC000011866460 211260672 /nfs/dbraw/zinc/26/06/72/211260672.db2.gz VWIWPCDNSKZRDE-UHFFFAOYSA-N 0 0 339.391 4.791 50 0 EJAARN Cc1ccsc1C(=O)[C@@H]1CCCN(Cc2ccc(O)c(Cl)c2)C1 ZINC000011814955 211249488 /nfs/dbraw/zinc/24/94/88/211249488.db2.gz SYXFLAFOSAZFMP-CQSZACIVSA-N 0 0 349.883 4.510 50 0 EJAARN Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1CCCC[C@H]1c1ccccn1 ZINC000091724958 218055123 /nfs/dbraw/zinc/05/51/23/218055123.db2.gz FMSPQLDHOYWLCV-IBGZPJMESA-N 0 0 347.462 4.856 50 0 EJAARN O=C(NC1CCCC1)c1ccc2noc(-c3ccc(Cl)cc3)c2c1 ZINC000011689812 211234341 /nfs/dbraw/zinc/23/43/41/211234341.db2.gz HWFRXMOWPRXWBO-UHFFFAOYSA-N 0 0 340.810 4.821 50 0 EJAARN CC(C)Cc1cc(C(=O)N2CCCCC[C@@H]2c2cccc(F)c2)on1 ZINC000091737048 218056467 /nfs/dbraw/zinc/05/64/67/218056467.db2.gz YUGISTDQCYCMDB-GOSISDBHSA-N 0 0 344.430 4.770 50 0 EJAARN O=C(CNc1cccc(Cl)c1Cl)Nc1ccc(Cl)cc1F ZINC000011622303 211228485 /nfs/dbraw/zinc/22/84/85/211228485.db2.gz MHLGKBVHULNJIZ-UHFFFAOYSA-N 0 0 347.604 4.837 50 0 EJAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NC1CCCCCC1 ZINC000011430134 211216922 /nfs/dbraw/zinc/21/69/22/211216922.db2.gz UCIIIMLRCNPJJH-UHFFFAOYSA-N 0 0 346.858 4.767 50 0 EJAARN O=C(NCCCOC1CCCCC1)Nc1cccc2ccccc21 ZINC000011006164 211199463 /nfs/dbraw/zinc/19/94/63/211199463.db2.gz JQPDVPJENRLSME-UHFFFAOYSA-N 0 0 326.440 4.701 50 0 EJAARN O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000010925196 211195919 /nfs/dbraw/zinc/19/59/19/211195919.db2.gz IPLYQPKAHFUHDR-UHFFFAOYSA-N 0 0 349.217 4.594 50 0 EJAARN Cc1c2ccc(C)cc2oc1C(=O)N1CCCC[C@@H]1c1cccnc1 ZINC000091973713 218097298 /nfs/dbraw/zinc/09/72/98/218097298.db2.gz OWGIKWQEKUPYCW-GOSISDBHSA-N 0 0 334.419 4.812 50 0 EJAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)C1CCCCC1 ZINC000010692034 211187323 /nfs/dbraw/zinc/18/73/23/211187323.db2.gz IQCTWUCLJSANOD-HXUWFJFHSA-N 0 0 346.474 4.996 50 0 EJAARN Cc1c(C(=O)N(C)[C@H](c2ccccn2)C2CC2)[nH]c2c1c(C)ccc2C ZINC000092061682 218111394 /nfs/dbraw/zinc/11/13/94/218111394.db2.gz LZOZPUMLCGZNAM-NRFANRHFSA-N 0 0 347.462 4.711 50 0 EJAARN CC[C@H](C(=O)Nc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 ZINC000010870380 211193612 /nfs/dbraw/zinc/19/36/12/211193612.db2.gz RMYVAPVQZCOXDB-SFHVURJKSA-N 0 0 348.402 4.664 50 0 EJAARN O=C(CCc1ccc2c(c1)OCO2)Nc1ccccc1-c1ccccc1 ZINC000010412023 211171074 /nfs/dbraw/zinc/17/10/74/211171074.db2.gz OACCFSLIJAZCQM-UHFFFAOYSA-N 0 0 345.398 4.654 50 0 EJAARN O=C(Nc1ccc(Cl)cc1)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000010296550 211160838 /nfs/dbraw/zinc/16/08/38/211160838.db2.gz ALAXZPRHGHORDZ-KRWDZBQOSA-N 0 0 346.814 4.542 50 0 EJAARN O=C(c1cc2ccccc2o1)N(C(=O)N1CCCCC1)c1ccccc1 ZINC000010254494 211157713 /nfs/dbraw/zinc/15/77/13/211157713.db2.gz GIQZOYZJQAEKJI-UHFFFAOYSA-N 0 0 348.402 4.686 50 0 EJAARN O=C(CSc1ccc(Cl)cc1)Nc1ccc2ncsc2c1 ZINC000010217351 211154716 /nfs/dbraw/zinc/15/47/16/211154716.db2.gz FIOJEBPGPROYSF-UHFFFAOYSA-N 0 0 334.853 4.681 50 0 EJAARN Cc1cccc(N(C(=O)Nc2cccc(Cl)c2)C2=NCCC2)c1 ZINC000010165985 211151871 /nfs/dbraw/zinc/15/18/71/211151871.db2.gz MOHFQLAWVTZCCV-UHFFFAOYSA-N 0 0 327.815 4.879 50 0 EJAARN Cc1ccc(Nc2ncc3c(n2)C[C@H](c2cccs2)CC3=O)cc1 ZINC000010156622 211151513 /nfs/dbraw/zinc/15/15/13/211151513.db2.gz AZEGBBUJUTWSOC-ZDUSSCGKSA-N 0 0 335.432 4.503 50 0 EJAARN O=C(Nc1ccccc1OC(F)(F)F)c1ccccc1C(F)(F)F ZINC000010030318 211142185 /nfs/dbraw/zinc/14/21/85/211142185.db2.gz XYKXEVFZJDYBJO-UHFFFAOYSA-N 0 0 349.230 4.856 50 0 EJAARN O=C1C[C@H](c2cccc(Cl)c2)Cc2nc(Nc3ccccc3)ncc21 ZINC000009969150 211137438 /nfs/dbraw/zinc/13/74/38/211137438.db2.gz ISCGTTWWUJOEGP-CQSZACIVSA-N 0 0 349.821 4.786 50 0 EJAARN COc1ccc(-c2csc(NC(=O)c3ccc(C)c(F)c3)n2)cc1 ZINC000009909300 211131815 /nfs/dbraw/zinc/13/18/15/211131815.db2.gz JRIHMDQTLDAIOA-UHFFFAOYSA-N 0 0 342.395 4.519 50 0 EJAARN Cc1ccccc1CNC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000009758367 211122432 /nfs/dbraw/zinc/12/24/32/211122432.db2.gz RVVUGFNGMPTNJG-SFHVURJKSA-N 0 0 328.843 4.599 50 0 EJAARN CN(Cc1ccccc1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000009757990 211122459 /nfs/dbraw/zinc/12/24/59/211122459.db2.gz DYCBOGJUSOJPNB-SFHVURJKSA-N 0 0 328.843 4.633 50 0 EJAARN Cc1occc1C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000009742056 211121746 /nfs/dbraw/zinc/12/17/46/211121746.db2.gz BONQILWWCRBUKL-UHFFFAOYSA-N 0 0 338.432 4.843 50 0 EJAARN Cc1ccc(C(=O)Nc2nc(-c3c[nH]c4ccccc43)cs2)s1 ZINC000009724235 211119760 /nfs/dbraw/zinc/11/97/60/211119760.db2.gz DFQUNCCCWYNEPC-UHFFFAOYSA-N 0 0 339.445 4.914 50 0 EJAARN CCCCC[C@@H](C)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 ZINC000009575702 211103665 /nfs/dbraw/zinc/10/36/65/211103665.db2.gz ZFTSCINIJYCZHL-CQSZACIVSA-N 0 0 341.480 4.786 50 0 EJAARN Cc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C(C)(C)C)C4)o1 ZINC000009667357 211112584 /nfs/dbraw/zinc/11/25/84/211112584.db2.gz AQSCTDAVXVHARM-LLVKDONJSA-N 0 0 342.464 4.704 50 0 EJAARN CC1=Nc2ccccc2N=C(NC(=O)c2ccco2)[C@@H]1c1ccccc1 ZINC000009667379 211112012 /nfs/dbraw/zinc/11/20/12/211112012.db2.gz KCJDQXLNWQZJTL-IBGZPJMESA-N 0 0 343.386 4.629 50 0 EJAARN Cc1oc(C)c(C(=O)Nc2ccc(N3CCCCCC3)cc2)c1C ZINC000009643255 211110437 /nfs/dbraw/zinc/11/04/37/211110437.db2.gz ZTUSZFOXHBPTPX-UHFFFAOYSA-N 0 0 326.440 4.838 50 0 EJAARN CCOc1ccc([C@H]2CCCN2C(=O)c2cc3ccccc3o2)cc1 ZINC000009596557 211106902 /nfs/dbraw/zinc/10/69/02/211106902.db2.gz MHVLHEZALBTKGC-GOSISDBHSA-N 0 0 335.403 4.809 50 0 EJAARN COc1cccc(CSc2nnc(NC3CCCCC3)s2)c1 ZINC000009498481 211092516 /nfs/dbraw/zinc/09/25/16/211092516.db2.gz LDGNSBAMINUXQE-UHFFFAOYSA-N 0 0 335.498 4.584 50 0 EJAARN O=C(/C=C/c1ccccc1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000009534269 211099520 /nfs/dbraw/zinc/09/95/20/211099520.db2.gz FPRLPZDKCCCXAE-LEQVUBRHSA-N 0 0 345.467 4.936 50 0 EJAARN Cc1ccc(CNC(=O)c2ccc3noc(-c4ccccc4)c3c2)cc1 ZINC000009528918 211098775 /nfs/dbraw/zinc/09/87/75/211098775.db2.gz VRFMPUWIUZSEQH-UHFFFAOYSA-N 0 0 342.398 4.733 50 0 EJAARN CCOc1ccccc1NC(=O)c1ncoc1-c1cccc(Cl)c1 ZINC000009527390 211098436 /nfs/dbraw/zinc/09/84/36/211098436.db2.gz USZBIIXUWUOVFF-UHFFFAOYSA-N 0 0 342.782 4.646 50 0 EJAARN CCC[C@H]1c2cccn2CCN1C(=O)Nc1cccc(Cl)c1C ZINC000009528153 211098103 /nfs/dbraw/zinc/09/81/03/211098103.db2.gz AJGXAHAIPOQZCV-KRWDZBQOSA-N 0 0 331.847 4.839 50 0 EJAARN Cc1cc(Nc2ccc(C(C)C)cc2)n2nc(-c3ccco3)nc2n1 ZINC000009526448 211097519 /nfs/dbraw/zinc/09/75/19/211097519.db2.gz QVDDRGCNSVKWQU-UHFFFAOYSA-N 0 0 333.395 4.560 50 0 EJAARN O=C(Nc1ccccc1F)c1cc2c(s1)-c1ccsc1CC2 ZINC000009527158 211097313 /nfs/dbraw/zinc/09/73/13/211097313.db2.gz LBNQQPFVAZNORE-UHFFFAOYSA-N 0 0 329.421 4.967 50 0 EJAARN COc1cccc(-c2ocnc2C(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000009527313 211096860 /nfs/dbraw/zinc/09/68/60/211096860.db2.gz XLEGOSMGVQOWMQ-UHFFFAOYSA-N 0 0 342.782 4.564 50 0 EJAARN CC(=O)Nc1cccc(C(=O)Nc2ccccc2Oc2ccccc2)c1 ZINC000009455744 211086151 /nfs/dbraw/zinc/08/61/51/211086151.db2.gz QLQXYJXWHXYVRU-UHFFFAOYSA-N 0 0 346.386 4.690 50 0 EJAARN CC(=O)Nc1ccc2c(C)c(C(=O)c3ccc(Cl)cc3)oc2c1 ZINC000009420015 211080423 /nfs/dbraw/zinc/08/04/23/211080423.db2.gz HDZVBEJEHXZXNL-UHFFFAOYSA-N 0 0 327.767 4.584 50 0 EJAARN CCc1nc2ccccc2n1CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000009378248 211078261 /nfs/dbraw/zinc/07/82/61/211078261.db2.gz WRIBLLUYYPANQE-UHFFFAOYSA-N 0 0 335.451 4.535 50 0 EJAARN C[C@H]1CCCC[C@@]12CCc1cc3c(cc1O2)oc(=O)c1c3CCCC1 ZINC000009341928 211072584 /nfs/dbraw/zinc/07/25/84/211072584.db2.gz RYANGRYRTYPUCU-RCDICMHDSA-N 0 0 338.447 4.946 50 0 EJAARN O=C(c1cccc(Cl)c1)N(C(=O)N1CCCCC1)c1ccccc1 ZINC000009317734 211066772 /nfs/dbraw/zinc/06/67/72/211066772.db2.gz FXOZQYNMBKZQCJ-UHFFFAOYSA-N 0 0 342.826 4.593 50 0 EJAARN Cc1ccc(N(C(=O)c2ccccc2C)C(=O)N2CCCCC2)cc1 ZINC000009317750 211066044 /nfs/dbraw/zinc/06/60/44/211066044.db2.gz SXMTVMHSZCGSNL-UHFFFAOYSA-N 0 0 336.435 4.556 50 0 EJAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc(C)cs2)cc1 ZINC000009305154 211063912 /nfs/dbraw/zinc/06/39/12/211063912.db2.gz AAUHHFWGMVBEBO-LJQANCHMSA-N 0 0 349.459 4.816 50 0 EJAARN CCc1ccc2c(c1)c(C)c(C(=O)NCc1ccc(Cl)cc1)n2C ZINC000009264142 211059953 /nfs/dbraw/zinc/05/99/53/211059953.db2.gz UYXCVVKIPMKHCH-UHFFFAOYSA-N 0 0 340.854 4.633 50 0 EJAARN Cc1nn(-c2ccccc2Cl)c2nc(C)cc(C(F)(F)F)c12 ZINC000009206317 211053542 /nfs/dbraw/zinc/05/35/42/211053542.db2.gz VPNIOYZSGMXGTR-UHFFFAOYSA-N 0 0 325.721 4.710 50 0 EJAARN Cc1c(C)n(Cc2cccc(C)c2)c2ccc(C(=O)NC3CC3)cc12 ZINC000009229143 211057070 /nfs/dbraw/zinc/05/70/70/211057070.db2.gz QWIOXAWEVQLCAI-UHFFFAOYSA-N 0 0 332.447 4.507 50 0 EJAARN CC(C)C(=O)Nc1cccc(NC(=O)Nc2cccc(Cl)c2)c1 ZINC000009231706 211056952 /nfs/dbraw/zinc/05/69/52/211056952.db2.gz QWTTVWCWYSZBMO-UHFFFAOYSA-N 0 0 331.803 4.579 50 0 EJAARN Cc1c2ccc3ccccc3c2oc1C(=O)Nc1cccnc1N(C)C ZINC000095349986 218284093 /nfs/dbraw/zinc/28/40/93/218284093.db2.gz HAWJXMIMSPOARW-UHFFFAOYSA-N 0 0 345.402 4.608 50 0 EJAARN CCc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)cc1 ZINC000009141843 211044830 /nfs/dbraw/zinc/04/48/30/211044830.db2.gz MDHCOXYZUDBCBQ-UHFFFAOYSA-N 0 0 348.402 4.655 50 0 EJAARN CC(C)(C)C(=O)Nc1ccc2c(c1)C(=O)Nc1cc(Cl)ccc1O2 ZINC000009135194 211044155 /nfs/dbraw/zinc/04/41/55/211044155.db2.gz KJADAQVNOLLZRZ-UHFFFAOYSA-N 0 0 344.798 4.683 50 0 EJAARN CCC1=Nc2ccccc2N=C(NC(=O)C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000009095232 211039500 /nfs/dbraw/zinc/03/95/00/211039500.db2.gz NSJUTFGFOHNRGV-LJQANCHMSA-N 0 0 349.409 4.662 50 0 EJAARN O=C(Nc1nc(-c2ccccc2)ns1)c1cccc2ccccc21 ZINC000095364815 218297803 /nfs/dbraw/zinc/29/78/03/218297803.db2.gz AVBAQFUIIWOFLI-UHFFFAOYSA-N 0 0 331.400 4.611 50 0 EJAARN Cc1c(Cl)c(CN2CCC[C@@H]2c2cccn2C)nc2ccccc12 ZINC000008945585 211023209 /nfs/dbraw/zinc/02/32/09/211023209.db2.gz VYWSSKWDBADZJP-LJQANCHMSA-N 0 0 339.870 4.872 50 0 EJAARN S=C(Nc1cccc2ncccc21)N1CCCC[C@H]1c1cccnc1 ZINC000008991847 211028616 /nfs/dbraw/zinc/02/86/16/211028616.db2.gz PJZDEDCUUMLPMY-IBGZPJMESA-N 0 0 348.475 4.554 50 0 biogenic EJAARN Cc1c(C(=O)Nc2cccc3ncccc32)oc2c1C(=O)CC(C)(C)C2 ZINC000008991991 211028514 /nfs/dbraw/zinc/02/85/14/211028514.db2.gz KUEHGNJZXAFTGF-UHFFFAOYSA-N 0 0 348.402 4.544 50 0 EJAARN CC1=C(C)[C@H](Nc2ccccc2)N([C@@H](C)CCc2ccccc2)C1=O ZINC000008986005 211027086 /nfs/dbraw/zinc/02/70/86/211027086.db2.gz JLGJJBBOKQARCR-HRAATJIYSA-N 0 0 334.463 4.625 50 0 EJAARN Cc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c(Cl)c1 ZINC000008985501 211027093 /nfs/dbraw/zinc/02/70/93/211027093.db2.gz UWHFXJBFZWLQHQ-UHFFFAOYSA-N 0 0 329.705 4.799 50 0 EJAARN Oc1ccc(Cl)cc1-c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000008972896 211024588 /nfs/dbraw/zinc/02/45/88/211024588.db2.gz SCWVEXBFZVZYSH-UHFFFAOYSA-N 0 0 349.615 4.865 50 0 EJAARN O=C(NCc1ccc(F)cc1)[C@H]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000008912261 211017868 /nfs/dbraw/zinc/01/78/68/211017868.db2.gz DOBXJQDJTUPTEL-KRWDZBQOSA-N 0 0 348.421 4.807 50 0 EJAARN Cc1c(Cl)cc(C(=O)N2CCC[C@H]2c2cccnc2)cc1Cl ZINC000095387606 218319571 /nfs/dbraw/zinc/31/95/71/218319571.db2.gz JACCGJGQDYPEII-INIZCTEOSA-N 0 0 335.234 4.674 50 0 EJAARN CCCCC1CCC(C(=O)Nc2nonc2-c2ccccc2)CC1 ZINC000008869499 211014164 /nfs/dbraw/zinc/01/41/64/211014164.db2.gz SZEHDVVJQVBRPJ-UHFFFAOYSA-N 0 0 327.428 4.672 50 0 EJAARN CCc1cccc(C)c1NC(=S)NCc1ccc2[nH]c(C)cc2c1 ZINC000008860117 211012651 /nfs/dbraw/zinc/01/26/51/211012651.db2.gz FSISQBMENGWBNZ-UHFFFAOYSA-N 0 0 337.492 4.834 50 0 aggregator EJAARN CC(C)(C)c1cc(NC(=O)C(c2ccccc2)c2ccccc2)on1 ZINC000008769035 211002560 /nfs/dbraw/zinc/00/25/60/211002560.db2.gz FPALYZQSQXWMSC-UHFFFAOYSA-N 0 0 334.419 4.743 50 0 EJAARN CC(C)n1ccc(C[S@@](=O)[C@H](C)c2ccc(Cl)c(Cl)c2)n1 ZINC000095418339 218357741 /nfs/dbraw/zinc/35/77/41/218357741.db2.gz PYMISHCUFFJWAX-FIKIJFGZSA-N 0 0 345.295 4.781 50 0 EJAARN O[C@@H](c1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccccc1 ZINC000008361802 210942258 /nfs/dbraw/zinc/94/22/58/210942258.db2.gz FVLUDMCQFDMOIO-HXUWFJFHSA-N 0 0 348.833 4.820 50 0 EJAARN Cc1cc(Cl)cc(C)c1NC(=O)c1csc([C@H]2CCCO2)n1 ZINC000095440060 218384814 /nfs/dbraw/zinc/38/48/14/218384814.db2.gz VNXJCKSGMSZLBX-CYBMUJFWSA-N 0 0 336.844 4.517 50 0 EJAARN CN(Cc1c(F)cccc1Cl)C(=O)CCc1ccc2[nH]ccc2c1 ZINC000095462886 218402614 /nfs/dbraw/zinc/40/26/14/218402614.db2.gz KNGGLKSXATZNQQ-UHFFFAOYSA-N 0 0 344.817 4.552 50 0 EJAARN COc1ccc(Cl)cc1NCc1cc(=O)oc2c(C)c(C)ccc12 ZINC000008211920 210913257 /nfs/dbraw/zinc/91/32/57/210913257.db2.gz ZLEFPBLSQIAOJY-UHFFFAOYSA-N 0 0 343.810 4.684 50 0 EJAARN Cc1nc2scc(-c3ccccc3)c2c(NCCc2ccccn2)n1 ZINC000008149239 210902970 /nfs/dbraw/zinc/90/29/70/210902970.db2.gz BHFMHNMBGPGRSJ-UHFFFAOYSA-N 0 0 346.459 4.716 50 0 EJAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)/C=C/c1cccs1 ZINC000008131637 210899296 /nfs/dbraw/zinc/89/92/96/210899296.db2.gz KUXQKUXYNJDEMQ-BZYZDCJZSA-N 0 0 328.462 4.591 50 0 EJAARN COc1ccc(-c2csc(-c3cccc(OC)c3OC)n2)cc1 ZINC000008129291 210899409 /nfs/dbraw/zinc/89/94/09/210899409.db2.gz YXAXYTDCEOAMLQ-UHFFFAOYSA-N 0 0 327.405 4.503 50 0 EJAARN Cc1ccc(C(=O)CCC(=O)Nc2cccc(Cl)c2C)cc1C ZINC000008071838 210890108 /nfs/dbraw/zinc/89/01/08/210890108.db2.gz OHIZHZLHTXOCAK-UHFFFAOYSA-N 0 0 329.827 4.867 50 0 EJAARN O=C(/C=C/c1ccco1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000007946982 210867373 /nfs/dbraw/zinc/86/73/73/210867373.db2.gz FWGWPVHJOBDKQC-QWNKOJSDSA-N 0 0 341.457 4.590 50 0 EJAARN Fc1ccc(CNc2ccc(-c3nnco3)cc2)cc1C(F)(F)F ZINC000095974515 218479709 /nfs/dbraw/zinc/47/97/09/218479709.db2.gz XEASVGHTBFMBNL-UHFFFAOYSA-N 0 0 337.276 4.507 50 0 EJAARN C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)c1cc2c(cccc2F)s1 ZINC000007719448 210836967 /nfs/dbraw/zinc/83/69/67/210836967.db2.gz AOXHSFPVGVGJJU-VIFPVBQESA-N 0 0 345.361 4.843 50 0 EJAARN Cc1cc2nc(Oc3ccc(F)cc3Cl)c3ccccc3n2n1 ZINC000007737801 210841170 /nfs/dbraw/zinc/84/11/70/210841170.db2.gz DSWIXLULEYSGQV-UHFFFAOYSA-N 0 0 327.746 4.776 50 0 EJAARN O=C(/C=C/c1cccs1)N[C@@H](c1cccs1)c1ccccc1 ZINC000007739475 210840711 /nfs/dbraw/zinc/84/07/11/210840711.db2.gz FEHHGFPWEXDFMP-DOJUMQAQSA-N 0 0 325.458 4.729 50 0 EJAARN O=C(/C=C/c1cccs1)N[C@H](c1cccs1)c1ccccc1 ZINC000007739468 210840781 /nfs/dbraw/zinc/84/07/81/210840781.db2.gz FEHHGFPWEXDFMP-ZGKFYVQTSA-N 0 0 325.458 4.729 50 0 EJAARN Cc1ccccc1NC(=O)Cc1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000007736651 210839819 /nfs/dbraw/zinc/83/98/19/210839819.db2.gz CIWUJHMKNGFOBD-UHFFFAOYSA-N 0 0 348.471 4.788 50 0 EJAARN Cc1ccc(NC(=O)COc2ccc(Cl)c3cccnc23)cc1C ZINC000007612325 210820357 /nfs/dbraw/zinc/82/03/57/210820357.db2.gz DKKSAUCJHPBJEV-UHFFFAOYSA-N 0 0 340.810 4.523 50 0 EJAARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000007605927 210819802 /nfs/dbraw/zinc/81/98/02/210819802.db2.gz YPXMFCDXHPLXCC-JTQLQIEISA-N 0 0 342.197 4.847 50 0 EJAARN C[C@]1(c2ccc(Cl)cc2)O[C@@H](COC(=O)c2ccccc2)CS1 ZINC000096034747 218517397 /nfs/dbraw/zinc/51/73/97/218517397.db2.gz HTJOZLLKWHGABZ-WMZOPIPTSA-N 0 0 348.851 4.502 50 0 EJAARN CC[C@@H](Sc1cc(-c2ccccc2)ncn1)C(=O)Nc1ccccc1 ZINC000011903324 207017065 /nfs/dbraw/zinc/01/70/65/207017065.db2.gz ZCSRGZQPZJXHHY-GOSISDBHSA-N 0 0 349.459 4.653 50 0 EJAARN Cc1ccccc1NC(=S)N(Cc1ccccc1)CC(F)(F)F ZINC000007379682 210790258 /nfs/dbraw/zinc/79/02/58/210790258.db2.gz MXUMZPBLKPKURQ-UHFFFAOYSA-N 0 0 338.398 4.756 50 0 EJAARN Cc1sc(NC2CC2)nc1-c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000007274756 210778448 /nfs/dbraw/zinc/77/84/48/210778448.db2.gz IQJGNDZHGNHLJG-UHFFFAOYSA-N 0 0 329.469 4.677 50 0 EJAARN Cc1ccc(CN(C)C(=O)c2cc3c(s2)-c2ccccc2CC3)o1 ZINC000006993498 210753434 /nfs/dbraw/zinc/75/34/34/210753434.db2.gz LISOOCDUUBYJFI-UHFFFAOYSA-N 0 0 337.444 4.687 50 0 EJAARN Cc1ccc2nc(-c3ccccc3)c(NC(=O)c3cccc(F)c3)n2c1 ZINC000006971058 210751028 /nfs/dbraw/zinc/75/10/28/210751028.db2.gz PRMNIHWUQKPQDS-UHFFFAOYSA-N 0 0 345.377 4.701 50 0 EJAARN O=C(NC1CCCCCCC1)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000006942258 210747680 /nfs/dbraw/zinc/74/76/80/210747680.db2.gz UFKKDTMNMZVJLU-UHFFFAOYSA-N 0 0 331.847 4.573 50 0 EJAARN CCCC(=O)Nc1nnc(SCc2ccc(C(C)C)cc2)s1 ZINC000006837197 210725879 /nfs/dbraw/zinc/72/58/79/210725879.db2.gz XQVQQTMFNFNWAB-UHFFFAOYSA-N 0 0 335.498 4.692 50 0 EJAARN CCn1cc(CCCC(=O)N[C@@H]2CCCC[C@@H]2C)c2ccccc21 ZINC000006782777 210710611 /nfs/dbraw/zinc/71/06/11/210710611.db2.gz ZHBKQQUUGRIONJ-QFBILLFUSA-N 0 0 326.484 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/nfs/dbraw/zinc/29/23/61/210292361.db2.gz HOGSCRPXEXSVSK-KMYSJOAASA-N 0 0 329.509 4.561 50 0 EJAARN CCCCOc1ccc(C(=O)Nc2ccccc2Cl)cc1OC ZINC000004815354 210284844 /nfs/dbraw/zinc/28/48/44/210284844.db2.gz JMTIAOAVNCMWNV-UHFFFAOYSA-N 0 0 333.815 4.780 50 0 EJAARN C[C@@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1 ZINC000004811182 210283138 /nfs/dbraw/zinc/28/31/38/210283138.db2.gz NOGYIGBBMLYFEE-QGZVFWFLSA-N 0 0 331.415 4.757 50 0 EJAARN O=C(Nc1cc(Cl)ccn1)[C@H]1CC1(c1ccccc1)c1ccccc1 ZINC000004811999 210283262 /nfs/dbraw/zinc/28/32/62/210283262.db2.gz RNMBUWASUBMGOH-GOSISDBHSA-N 0 0 348.833 4.680 50 0 EJAARN Cc1ccc(NC(=O)C[C@H](c2ccccc2)c2ccccc2O)cc1 ZINC000004802228 210280666 /nfs/dbraw/zinc/28/06/66/210280666.db2.gz NKSWTNGCXBIWQF-HXUWFJFHSA-N 0 0 331.415 4.861 50 0 EJAARN O=C(Cc1cccs1)c1ccccc1NC(=O)c1ccc(F)cc1 ZINC000004788455 210278067 /nfs/dbraw/zinc/27/80/67/210278067.db2.gz ABQXSHNIKQCWOH-UHFFFAOYSA-N 0 0 339.391 4.565 50 0 EJAARN Clc1ccc(-c2nnc3sc(-c4ccccc4)nn32)c(Cl)c1 ZINC000004784632 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CO[C@H](C)c1nc(C)c(C(=O)N2CCCCC[C@@H]2CC(C)C)s1 ZINC000176849444 533120563 /nfs/dbraw/zinc/12/05/63/533120563.db2.gz POVIWYLCSOSZFF-HUUCEWRRSA-N 0 0 338.517 4.590 50 0 EJAARN Cc1nc2ccc(NC(=S)Nc3ccccc3Cl)cc2nc1C ZINC000015684669 257857628 /nfs/dbraw/zinc/85/76/28/257857628.db2.gz YVEIFHOTUZBIPH-UHFFFAOYSA-N 0 0 342.855 4.709 50 0 EJAARN Cc1nc(CN[C@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)co1 ZINC000408524042 257977989 /nfs/dbraw/zinc/97/79/89/257977989.db2.gz PQJRXZLSIREADI-SNVBAGLBSA-N 0 0 347.871 4.919 50 0 EJAARN Cc1ccc(C(=O)N[C@@H](c2nc(-c3ccccc3)no2)C(C)(C)C)cc1 ZINC000334161701 258016063 /nfs/dbraw/zinc/01/60/63/258016063.db2.gz DOEIMCONNOCPEV-KRWDZBQOSA-N 0 0 349.434 4.562 50 0 EJAARN CSc1ccccc1NC(=O)CSc1nc2ccccc2s1 ZINC000000097883 258047262 /nfs/dbraw/zinc/04/72/62/258047262.db2.gz HWJFWQYLVKOZPQ-UHFFFAOYSA-N 0 0 346.502 4.749 50 0 EJAARN O=C(Nc1cccc2c1CCCC2)N1CCCC[C@@H]1c1cccnc1 ZINC000299794989 258099571 /nfs/dbraw/zinc/09/95/71/258099571.db2.gz KVBDMTGYQSFECB-HXUWFJFHSA-N 0 0 335.451 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ZINC000169725648 226556353 /nfs/dbraw/zinc/55/63/53/226556353.db2.gz BKWRVFCRJDZNGO-UHFFFAOYSA-N 0 0 344.121 4.703 50 0 EJAARN Cc1ccc(CNc2ccc(C(=O)N3CCCC[C@H]3C)cc2)s1 ZINC000170615595 226658852 /nfs/dbraw/zinc/65/88/52/226658852.db2.gz ICMQTCZPENQRRN-CQSZACIVSA-N 0 0 328.481 4.683 50 0 EJAARN Cc1c(C)c(Br)cc(C(=O)Nc2ccc(F)cc2)c1C ZINC000000309600 262517546 /nfs/dbraw/zinc/51/75/46/262517546.db2.gz XPDASISRGFZIFH-UHFFFAOYSA-N 0 0 336.204 4.766 50 0 EJAARN Cc1c2c(cc3c4c(c(=O)oc13)CCC4)C=C[C@]1(CCC[C@@H](C)C1)O2 ZINC000009340859 262521135 /nfs/dbraw/zinc/52/11/35/262521135.db2.gz YBQWDODECSFRAJ-DMZKTXOQSA-N 0 0 336.431 4.945 50 0 EJAARN Cc1cc(Cl)ncc1NC(=O)c1occc1-c1ccc(F)cc1 ZINC000133524300 533800863 /nfs/dbraw/zinc/80/08/63/533800863.db2.gz ASGNKPLLIXXRON-UHFFFAOYSA-N 0 0 330.746 4.695 50 0 EJAARN Cc1ccc(C[C@@H]2CCCN2C(=O)c2cc3ccc(C)cc3[nH]2)cc1 ZINC000170626437 534133414 /nfs/dbraw/zinc/13/34/14/534133414.db2.gz SYTXZKBMLJRLOW-IBGZPJMESA-N 0 0 332.447 4.632 50 0 EJAARN CCCn1nc(NC(=O)c2ccccc2)c2cc3cccc(C)c3nc21 ZINC000001277500 517623546 /nfs/dbraw/zinc/62/35/46/517623546.db2.gz WTYUAFUHGJUHHY-UHFFFAOYSA-N 0 0 344.418 4.555 50 0 EJAARN Cc1ccc(S(=O)(=O)N(c2ccccc2)c2ccccc2)c(C)c1 ZINC000000399775 518189492 /nfs/dbraw/zinc/18/94/92/518189492.db2.gz ARTUANBTPJIFRI-UHFFFAOYSA-N 0 0 337.444 4.830 50 0 EJAARN O=C(Nc1ccccc1N1CCCC1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000064384033 518201256 /nfs/dbraw/zinc/20/12/56/518201256.db2.gz ZDLWMMOJQWNNMU-IAGOWNOFSA-N 0 0 340.854 4.682 50 0 EJAARN FC(F)(F)c1cc(Br)ccc1N1CCCC(F)(F)C1 ZINC000169725690 534412153 /nfs/dbraw/zinc/41/21/53/534412153.db2.gz UUSUHGZLRZVCPY-UHFFFAOYSA-N 0 0 344.121 4.703 50 0 EJAARN O=C(Nc1ncccc1-c1ccccc1)c1cnc(-c2ccco2)s1 ZINC000181423877 534473460 /nfs/dbraw/zinc/47/34/60/534473460.db2.gz XOXVUNSZWMEWLD-UHFFFAOYSA-N 0 0 347.399 4.717 50 0 EJAARN CC[C@H](Oc1ccccc1)C(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000004820422 522889967 /nfs/dbraw/zinc/88/99/67/522889967.db2.gz WHOCDNAWWJSQLK-LEWJYISDSA-N 0 0 337.463 4.892 50 0 EJAARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC(C)=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000254046651 534782610 /nfs/dbraw/zinc/78/26/10/534782610.db2.gz IQGZWLYDESGLID-IUOZABMSSA-N 0 0 330.512 4.905 50 0 EJAARN c1ccc(CC2CCN(c3ncnc4sc5c(c43)CCC5)CC2)cc1 ZINC000000038231 526462857 /nfs/dbraw/zinc/46/28/57/526462857.db2.gz ADVCOZAITDWYMV-UHFFFAOYSA-N 0 0 349.503 4.639 50 0 EJAARN O=C1c2ccccc2N[C@@H](/C=C/c2ccccc2)N1c1ccccc1 ZINC000000035053 527133250 /nfs/dbraw/zinc/13/32/50/527133250.db2.gz KNWKRQPNAIFZPF-UFBKIKKCSA-N 0 0 326.399 4.798 50 0 EJAARN O=C(Nc1ccsc1Cl)N[C@H](c1nccs1)c1ccccc1 ZINC000189423396 527472637 /nfs/dbraw/zinc/47/26/37/527472637.db2.gz ZADXEOXPMCJGTJ-LBPRGKRZSA-N 0 0 349.868 4.769 50 0 EJAARN CC[C@@H](Sc1nnc(-c2ccncc2)o1)c1ccc(F)cc1F ZINC000133204829 529254466 /nfs/dbraw/zinc/25/44/66/529254466.db2.gz GHISYKIXRIYMJM-CQSZACIVSA-N 0 0 333.363 4.653 50 0 EJAARN CC(C)(C)c1cnc(C2CCN(C(=O)c3cccc(Cl)c3)CC2)o1 ZINC000227163809 535138859 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/nfs/dbraw/zinc/29/49/93/563294993.db2.gz UMBDXZUZSOSCCG-UHFFFAOYSA-N 0 0 327.733 4.930 50 0 EJAARN CC(C)c1ccc(OCC(=O)Nc2ccccc2Br)cc1 ZINC000000514151 563339661 /nfs/dbraw/zinc/33/96/61/563339661.db2.gz CRZVJPJGYARLPB-UHFFFAOYSA-N 0 0 348.240 4.590 50 0 EJAARN Cc1ccc(OC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(C)c1 ZINC000001114906 563375082 /nfs/dbraw/zinc/37/50/82/563375082.db2.gz TVVNAPRLJCXICX-LBPRGKRZSA-N 0 0 339.218 4.983 50 0 EJAARN Cc1sc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)nc1-c1ccccc1 ZINC000000028424 563211613 /nfs/dbraw/zinc/21/16/13/563211613.db2.gz OIHCVXXZJIHZQS-SJORKVTESA-N 0 0 334.444 4.861 50 0 EJAARN O=C(Oc1ccccc1)c1ccc(COc2ccccc2Cl)o1 ZINC000000037373 563212084 /nfs/dbraw/zinc/21/20/84/563212084.db2.gz BNPVJTKHKPUZIC-UHFFFAOYSA-N 0 0 328.751 4.731 50 0 EJAARN Cc1cc2c(cc1C)[C@@H](c1ccccc1Br)CC(=O)N2 ZINC000000036493 563212089 /nfs/dbraw/zinc/21/20/89/563212089.db2.gz ZRSOAWXIGBKGNZ-CYBMUJFWSA-N 0 0 330.225 4.540 50 0 EJAARN Cc1ccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000000038872 563212525 /nfs/dbraw/zinc/21/25/25/563212525.db2.gz OQWLIBGZGWQRJZ-UHFFFAOYSA-N 0 0 333.387 4.805 50 0 EJAARN CCOc1ccc(NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1 ZINC000000042863 563212866 /nfs/dbraw/zinc/21/28/66/563212866.db2.gz PLPAJKCRFHSBJT-TZMCWYRMSA-N 0 0 328.239 4.615 50 0 EJAARN C[C@@H](Oc1ccc(Cl)cc1Cl)c1nc(-c2ccncc2)no1 ZINC000000070469 563215126 /nfs/dbraw/zinc/21/51/26/563215126.db2.gz YPQLBYYWOADFLQ-SECBINFHSA-N 0 0 336.178 4.578 50 0 EJAARN COC(=O)c1ccc(Nc2cc(C)nc3ccc(Cl)cc32)cc1 ZINC000000071657 563215452 /nfs/dbraw/zinc/21/54/52/563215452.db2.gz UCNYVQXUMQETED-UHFFFAOYSA-N 0 0 326.783 4.727 50 0 EJAARN S=C(NCCc1ccccc1)Nc1cccc(Cl)c1Cl ZINC000000071610 563215466 /nfs/dbraw/zinc/21/54/66/563215466.db2.gz XGCLAUFHQPYCNA-UHFFFAOYSA-N 0 0 325.264 4.523 50 0 EJAARN CCC(=O)Oc1ccc(NC(=S)Nc2c(C)cc(C)cc2C)cc1 ZINC000000071558 563215477 /nfs/dbraw/zinc/21/54/77/563215477.db2.gz XTHBIHIOKKLDRF-UHFFFAOYSA-N 0 0 342.464 4.736 50 0 EJAARN O=C(Nc1ccc(F)cc1F)Nc1ccc(F)cc1Br ZINC000034673806 563216608 /nfs/dbraw/zinc/21/66/08/563216608.db2.gz DBOQDCHZKKVJQO-UHFFFAOYSA-N 0 0 345.118 4.510 50 0 EJAARN O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)C(F)(F)F ZINC000000077432 563217286 /nfs/dbraw/zinc/21/72/86/563217286.db2.gz YOMOTSJDXGINLO-UHFFFAOYSA-N 0 0 340.688 4.649 50 0 EJAARN COc1ccccc1C1CCN(C(=S)Nc2cccc(C)c2)CC1 ZINC000000083289 563219260 /nfs/dbraw/zinc/21/92/60/563219260.db2.gz VULYCOATTVTFAI-UHFFFAOYSA-N 0 0 340.492 4.580 50 0 EJAARN Cc1c(Cl)cccc1NC(=S)NCCc1c[nH]c2ccccc12 ZINC000000084663 563219755 /nfs/dbraw/zinc/21/97/55/563219755.db2.gz YKBUQLFCFXMGFM-UHFFFAOYSA-N 0 0 343.883 4.659 50 0 EJAARN COc1cc2c(c3c1C(=O)C[C@H](c1ccccc1)O3)C=CC(C)(C)O2 ZINC000000086467 563220434 /nfs/dbraw/zinc/22/04/34/563220434.db2.gz ITOTUSMHIQFNHJ-MRXNPFEDSA-N 0 0 336.387 4.586 50 0 biogenic,in-vitro EJAARN CCn1c2ccccc2n2cc(-c3ccc(Br)cc3)nc21 ZINC000000090439 563222099 /nfs/dbraw/zinc/22/20/99/563222099.db2.gz LWJBNIZMWMAPNB-UHFFFAOYSA-N 0 0 340.224 4.738 50 0 EJAARN COc1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000000093856 563223115 /nfs/dbraw/zinc/22/31/15/563223115.db2.gz LEEJHOACAWNXOF-UHFFFAOYSA-N 0 0 326.343 4.523 50 0 EJAARN COc1c(Cl)ccc(Cl)c1C(=O)Nc1ccccc1Cl ZINC000000094909 563223900 /nfs/dbraw/zinc/22/39/00/563223900.db2.gz WALLREHNIRSAJO-UHFFFAOYSA-N 0 0 330.598 4.908 50 0 EJAARN COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000000101566 563226227 /nfs/dbraw/zinc/22/62/27/563226227.db2.gz CNNXWWCNDIGGIW-UHFFFAOYSA-N 0 0 329.705 4.620 50 0 EJAARN Cc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1 ZINC000000104551 563227160 /nfs/dbraw/zinc/22/71/60/563227160.db2.gz HZOFORLMMGWSQR-NRFANRHFSA-N 0 0 328.415 4.762 50 0 EJAARN O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1ccccc1 ZINC000000105925 563227649 /nfs/dbraw/zinc/22/76/49/563227649.db2.gz FEYJGIMRZKUZQS-UHFFFAOYSA-N 0 0 346.411 4.921 50 0 EJAARN S=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2csnn2)cc1 ZINC000000106371 563227972 /nfs/dbraw/zinc/22/79/72/563227972.db2.gz CYPBTLYGNRCRSO-UHFFFAOYSA-N 0 0 346.868 4.667 50 0 EJAARN Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)NC(C)(C)C ZINC000000115059 563231438 /nfs/dbraw/zinc/23/14/38/563231438.db2.gz ZJYZQODYPJLCAK-UHFFFAOYSA-N 0 0 342.226 4.877 50 0 EJAARN S=C(Nc1ccccc1Cl)Nc1ccccc1-n1cccc1 ZINC000000117727 563232876 /nfs/dbraw/zinc/23/28/76/563232876.db2.gz BBNQSRMAUHJRHO-UHFFFAOYSA-N 0 0 327.840 4.940 50 0 EJAARN Cc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(C)c3)c2)c1 ZINC000000121398 563234378 /nfs/dbraw/zinc/23/43/78/563234378.db2.gz XYBXAOUCNUGBDF-UHFFFAOYSA-N 0 0 344.414 4.808 50 0 EJAARN FC(F)(F)Oc1ccc(-c2nnc(-c3ccccc3Cl)o2)cc1 ZINC000000122514 563235519 /nfs/dbraw/zinc/23/55/19/563235519.db2.gz DUBLUUQIXDRRMU-UHFFFAOYSA-N 0 0 340.688 4.956 50 0 EJAARN COc1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1OC ZINC000000126785 563236879 /nfs/dbraw/zinc/23/68/79/563236879.db2.gz FQBKBLARHWQTSF-UHFFFAOYSA-N 0 0 349.386 4.748 50 0 EJAARN O=C(Nc1ncc(Cc2ccccc2)s1)c1ccccc1Cl ZINC000000128106 563237262 /nfs/dbraw/zinc/23/72/62/563237262.db2.gz QAQHEFSLNDSQLL-UHFFFAOYSA-N 0 0 328.824 4.640 50 0 EJAARN Cc1ccc(NC(=O)c2ccccc2NC(=O)c2cccs2)cc1 ZINC000000127516 563237319 /nfs/dbraw/zinc/23/73/19/563237319.db2.gz PTEHINZKKXGQHR-UHFFFAOYSA-N 0 0 336.416 4.561 50 0 EJAARN COc1ccccc1C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000000129244 563237569 /nfs/dbraw/zinc/23/75/69/563237569.db2.gz ZBKYUOCBQRCGLS-UHFFFAOYSA-N 0 0 333.387 4.527 50 0 EJAARN O=C(Oc1ccc(Nc2ncnc3ccccc32)cc1)c1cccs1 ZINC000000132697 563239166 /nfs/dbraw/zinc/23/91/66/563239166.db2.gz STUGOKJJEQIZJU-UHFFFAOYSA-N 0 0 347.399 4.654 50 0 EJAARN Fc1cccc(Cl)c1CNC(=S)Nc1ccc(Cl)cc1 ZINC000000139034 563241469 /nfs/dbraw/zinc/24/14/69/563241469.db2.gz FDULXLDWNLKVOO-UHFFFAOYSA-N 0 0 329.227 4.619 50 0 EJAARN O=C(Nc1ccc(Cl)cc1)Nc1ccc(Br)cc1 ZINC000000143576 563243263 /nfs/dbraw/zinc/24/32/63/563243263.db2.gz VCJMGYXOIQQZSK-UHFFFAOYSA-N 0 0 325.593 4.747 50 0 EJAARN Cc1ccc(-c2nn(-c3ccccc3)c(=O)c3ccccc32)cc1C ZINC000000143969 563243340 /nfs/dbraw/zinc/24/33/40/563243340.db2.gz IUXWFBDNIPEJFE-UHFFFAOYSA-N 0 0 326.399 4.670 50 0 EJAARN CCc1cccc(CC)c1NC(=O)COc1ccc(Cl)cc1C ZINC000000145189 563243931 /nfs/dbraw/zinc/24/39/31/563243931.db2.gz HOMWDDHZBDHSNN-UHFFFAOYSA-N 0 0 331.843 4.791 50 0 EJAARN O=C(CCc1ccccc1)Oc1ccc(OCc2ccccc2)cc1 ZINC000000149066 563245368 /nfs/dbraw/zinc/24/53/68/563245368.db2.gz ROBBAEHOOIWETD-UHFFFAOYSA-N 0 0 332.399 4.804 50 0 EJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc2ccccc2n1 ZINC000000152681 563246661 /nfs/dbraw/zinc/24/66/61/563246661.db2.gz KBVJGEURLWSHRH-UHFFFAOYSA-N 0 0 347.296 4.777 50 0 EJAARN CC(=O)c1sc2nnc(-c3ccccc3)c(-c3ccccc3)c2c1N ZINC000000154453 563247051 /nfs/dbraw/zinc/24/70/51/563247051.db2.gz QVWUVMYMCDBBPT-UHFFFAOYSA-N 0 0 345.427 4.810 50 0 EJAARN Cc1cc2c(cccc2NC(=O)Nc2ccc(C(F)(F)F)cc2)nn1 ZINC000000156468 563247800 /nfs/dbraw/zinc/24/78/00/563247800.db2.gz JGAWCNRAZKXCFF-UHFFFAOYSA-N 0 0 346.312 4.601 50 0 EJAARN FC(F)(F)c1cc(-c2nccs2)nc2cc(-c3ccccc3)nn21 ZINC000000171352 563251646 /nfs/dbraw/zinc/25/16/46/563251646.db2.gz DOZWXDNYDMKNKS-UHFFFAOYSA-N 0 0 346.337 4.539 50 0 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CCN(CC)c1cc(C)c2cc(NC(=O)c3ccccc3C)ccc2n1 ZINC000000213108 563261180 /nfs/dbraw/zinc/26/11/80/563261180.db2.gz QPSFOXYBJFVQNE-UHFFFAOYSA-N 0 0 347.462 4.950 50 0 EJAARN CCOC(=O)[C@H](C(=O)Nc1cccc2ccccc21)C1CCCCC1 ZINC000000235602 563263788 /nfs/dbraw/zinc/26/37/88/563263788.db2.gz OVPURFJHCMJUBS-IBGZPJMESA-N 0 0 339.435 4.538 50 0 EJAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2Cl)c(C)c1 ZINC000000247558 563266525 /nfs/dbraw/zinc/26/65/25/563266525.db2.gz KCOICKQVGWDXSS-UHFFFAOYSA-N 0 0 344.263 4.719 50 0 EJAARN Cc1ccc(-c2cc(-c3cccc(Br)c3)n[nH]2)c(O)c1 ZINC000000265255 563268745 /nfs/dbraw/zinc/26/87/45/563268745.db2.gz KHNMWEACJGZVLT-UHFFFAOYSA-N 0 0 329.197 4.520 50 0 EJAARN Cc1cccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000000274536 563270244 /nfs/dbraw/zinc/27/02/44/563270244.db2.gz WBINWXCCDZITAL-UHFFFAOYSA-N 0 0 329.465 4.844 50 0 EJAARN Cc1cc(C)n(-c2nc(-c3ccccc3)cc(-c3ccc(C)cc3)n2)n1 ZINC000000275580 563270792 /nfs/dbraw/zinc/27/07/92/563270792.db2.gz YTWCCYUGUMWUDH-UHFFFAOYSA-N 0 0 340.430 4.922 50 0 EJAARN Oc1cc(-c2nc3ccccc3o2)c(O)cc1-c1nc2ccccc2o1 ZINC000000285055 563272687 /nfs/dbraw/zinc/27/26/87/563272687.db2.gz DZXFKANCARFDPH-UHFFFAOYSA-N 0 0 344.326 4.714 50 0 EJAARN O=c1c2ccccc2nc(SCc2ccccc2)n1C1CCCC1 ZINC000000292447 563273821 /nfs/dbraw/zinc/27/38/21/563273821.db2.gz NYAKWLXFIZXGGS-UHFFFAOYSA-N 0 0 336.460 4.804 50 0 EJAARN Clc1ccccc1-c1noc(-c2ccc(Br)cc2)n1 ZINC000000296021 563274576 /nfs/dbraw/zinc/27/45/76/563274576.db2.gz RWJMMAKBLOAFTO-UHFFFAOYSA-N 0 0 335.588 4.820 50 0 EJAARN COc1ccc(C[C@@H](C)CC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000000301912 563275950 /nfs/dbraw/zinc/27/59/50/563275950.db2.gz FPZFXWIJEOOLTP-CYBMUJFWSA-N 0 0 331.843 4.864 50 0 EJAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC1CCCC1 ZINC000000304228 563277086 /nfs/dbraw/zinc/27/70/86/563277086.db2.gz OHIZQTZEWQPDFZ-UHFFFAOYSA-N 0 0 339.222 4.629 50 0 EJAARN CCOc1cc2oc(C)c(-c3ccc(OC)cc3)c(=O)c2cc1CC ZINC000000305925 563277826 /nfs/dbraw/zinc/27/78/26/563277826.db2.gz ULLFMRHGAXNVDU-UHFFFAOYSA-N 0 0 338.403 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/nfs/dbraw/zinc/36/02/78/563360278.db2.gz AJALQVFRWDYANH-UHFFFAOYSA-N 0 0 335.403 4.890 50 0 EJAARN COc1ccc(NC(=O)[C@@H](C)SCc2ccccc2)cc1Cl ZINC000000619204 563360956 /nfs/dbraw/zinc/36/09/56/563360956.db2.gz ZZSJZBDORMXIEA-GFCCVEGCSA-N 0 0 335.856 4.609 50 0 EJAARN COc1cccc(NC(=S)Nc2ccccc2C(F)(F)F)c1 ZINC000000619332 563360986 /nfs/dbraw/zinc/36/09/86/563360986.db2.gz BWKXDKYYWPCJGW-UHFFFAOYSA-N 0 0 326.343 4.523 50 0 EJAARN C[C@H](Oc1cccc(NC(=O)c2ccccc2)c1)C(=O)c1ccccc1 ZINC000000619755 563361397 /nfs/dbraw/zinc/36/13/97/563361397.db2.gz AIGSIKMOIYOLFB-INIZCTEOSA-N 0 0 345.398 4.589 50 0 EJAARN O=C(Oc1ccc2c(c1Br)CCCC2)c1ccccc1F ZINC000000620584 563361681 /nfs/dbraw/zinc/36/16/81/563361681.db2.gz QGGWKBLMCBUGBH-UHFFFAOYSA-N 0 0 349.199 4.686 50 0 EJAARN CN(C)c1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000000621267 563362081 /nfs/dbraw/zinc/36/20/81/563362081.db2.gz ZSWBQASSCIZJJV-UHFFFAOYSA-N 0 0 339.386 4.580 50 0 EJAARN COc1ccc([C@@H](C)NC(=S)Nc2cccc3ccccc32)cc1 ZINC000000621513 563362326 /nfs/dbraw/zinc/36/23/26/563362326.db2.gz YMGZXKVEJZDZKA-CQSZACIVSA-N 0 0 336.460 4.896 50 0 EJAARN COc1ccc(Cc2c(C)nc3ccc(OC)cc3c2Cl)cc1 ZINC000000759263 563363008 /nfs/dbraw/zinc/36/30/08/563363008.db2.gz PLPNZRHWEJZDEQ-UHFFFAOYSA-N 0 0 327.811 4.805 50 0 EJAARN COc1cc(OC)c(NC(=O)c2ccc(C)c(Cl)c2)cc1Cl ZINC000000858782 563364898 /nfs/dbraw/zinc/36/48/98/563364898.db2.gz YBGCNVQMXBCOCE-UHFFFAOYSA-N 0 0 340.206 4.571 50 0 EJAARN COC(=O)[C@@H](C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1 ZINC000000900712 563365907 /nfs/dbraw/zinc/36/59/07/563365907.db2.gz BACHBFVBHLGWSL-SNVBAGLBSA-N 0 0 341.190 4.726 50 0 in-vivo EJAARN O=C1NC(=O)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)S1 ZINC000000975828 563366681 /nfs/dbraw/zinc/36/66/81/563366681.db2.gz JOAMJRPTKCIKJW-WUXMJOGZSA-N 0 0 340.187 4.577 50 0 EJAARN Cc1ccccc1CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O ZINC000000975751 563366742 /nfs/dbraw/zinc/36/67/42/563366742.db2.gz ALCBDBHPDXPZIO-YBEGLDIGSA-N 0 0 343.835 4.885 50 0 EJAARN Cc1cccc(NC(=O)c2ccccc2OCC(=O)c2ccccc2)c1 ZINC000000993206 563367347 /nfs/dbraw/zinc/36/73/47/563367347.db2.gz UAALGIHYZYBMSN-UHFFFAOYSA-N 0 0 345.398 4.509 50 0 EJAARN Cc1nc2cc(NC(=O)C3C4CC5CC(C4)CC3C5)ccc2s1 ZINC000000992533 563367350 /nfs/dbraw/zinc/36/73/50/563367350.db2.gz ZZNGVBUTFGFRKT-UHFFFAOYSA-N 0 0 326.465 4.616 50 0 EJAARN CCOc1ccccc1C(=O)Oc1ccc(C(=O)c2ccccc2)cc1 ZINC000001017123 563368716 /nfs/dbraw/zinc/36/87/16/563368716.db2.gz XDDGDDVHPHHLLK-UHFFFAOYSA-N 0 0 346.382 4.536 50 0 EJAARN C[C@H](NC(=O)C(C)(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001018263 563369028 /nfs/dbraw/zinc/36/90/28/563369028.db2.gz OZGTYXWMBRCWSH-SFHVURJKSA-N 0 0 329.443 4.870 50 0 EJAARN Fc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN32)cc1 ZINC000001018756 563369072 /nfs/dbraw/zinc/36/90/72/563369072.db2.gz VIBQLOPNPYCJJC-YLJYHZDGSA-N 0 0 334.350 4.661 50 0 EJAARN CSc1cccc(N2C(=O)S/C(=C/c3ccc(C)cc3)C2=O)c1 ZINC000001045737 563370093 /nfs/dbraw/zinc/37/00/93/563370093.db2.gz GWZQRLLCVGTJPU-MHWRWJLKSA-N 0 0 341.457 4.958 50 0 EJAARN CNC(=S)N(Cc1cccs1)Cc1cccc(Cl)c1Cl ZINC000001042857 563370130 /nfs/dbraw/zinc/37/01/30/563370130.db2.gz UEEQTMNECWYWRI-UHFFFAOYSA-N 0 0 345.320 4.561 50 0 EJAARN CSc1ccccc1C(=O)Nc1ccc(Br)cc1F ZINC000001051374 563370499 /nfs/dbraw/zinc/37/04/99/563370499.db2.gz SZKGGDNHEBJGLE-UHFFFAOYSA-N 0 0 340.217 4.562 50 0 EJAARN Cc1cccc(C)c1OCC(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000001059054 563371545 /nfs/dbraw/zinc/37/15/45/563371545.db2.gz DCXKSEIILBCNHN-UHFFFAOYSA-N 0 0 346.839 4.584 50 0 EJAARN CC(=O)c1ccc(OCc2ccc(C(=O)c3ccccc3)cc2)cc1 ZINC000001075184 563373580 /nfs/dbraw/zinc/37/35/80/563373580.db2.gz ILLSRLIOBHYOTH-UHFFFAOYSA-N 0 0 330.383 4.699 50 0 EJAARN COc1cccc(C(=O)Nc2ccccc2[C@@H]2CC2(Cl)Cl)c1 ZINC000001078953 563373787 /nfs/dbraw/zinc/37/37/87/563373787.db2.gz NTYQUJZBKZOAQX-AWEZNQCLSA-N 0 0 336.218 4.609 50 0 EJAARN O=C(c1ccc(-c2ccccc2)cc1)N1CC[C@@H](c2ccccc2)C1 ZINC000001112906 563375206 /nfs/dbraw/zinc/37/52/06/563375206.db2.gz DWLAITCHDNQNGZ-JOCHJYFZSA-N 0 0 327.427 4.983 50 0 EJAARN O=C(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1 ZINC000001115339 563375255 /nfs/dbraw/zinc/37/52/55/563375255.db2.gz JFOKDVSVRVUJTI-UHFFFAOYSA-N 0 0 329.443 4.568 50 0 in-vivo EJAARN Cc1ccc(OC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(C)c1 ZINC000001114904 563375262 /nfs/dbraw/zinc/37/52/62/563375262.db2.gz TVVNAPRLJCXICX-GFCCVEGCSA-N 0 0 339.218 4.983 50 0 EJAARN Cc1ccc(O)c(NC(=O)COc2ccc(C3CCCCC3)cc2)c1 ZINC000001170359 563377428 /nfs/dbraw/zinc/37/74/28/563377428.db2.gz JPEIVBIDGZAAMM-UHFFFAOYSA-N 0 0 339.435 4.766 50 0 EJAARN C[C@@H](Cc1ccccc1)NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000001192845 563378398 /nfs/dbraw/zinc/37/83/98/563378398.db2.gz KVJIMMQVXHIWBU-IBGZPJMESA-N 0 0 343.470 4.956 50 0 EJAARN O=C(NC1CCCCC1)[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000001214733 563379544 /nfs/dbraw/zinc/37/95/44/563379544.db2.gz AKNPMBKQINBFQN-ORFBVSJDSA-N 0 0 331.459 4.733 50 0 EJAARN O=C(NC(c1ccccc1)c1ccccc1)[C@H]1C[C@@H]1c1ccccc1 ZINC000001234718 563380575 /nfs/dbraw/zinc/38/05/75/563380575.db2.gz KHDFIBIXXCAAKP-RTWAWAEBSA-N 0 0 327.427 4.696 50 0 EJAARN Cc1cc(C)c(NC(=O)c2ccc(Br)o2)c(Cl)c1 ZINC000001284932 563382423 /nfs/dbraw/zinc/38/24/23/563382423.db2.gz KYYUKEQKCTYWQN-UHFFFAOYSA-N 0 0 328.593 4.565 50 0 EJAARN C[C@@H](C(=O)OCc1ccccc1)c1ncc(C(F)(F)F)cc1Cl ZINC000001396652 563386376 /nfs/dbraw/zinc/38/63/76/563386376.db2.gz KAMVZPJAIUQSHQ-SNVBAGLBSA-N 0 0 343.732 4.601 50 0 EJAARN O=C(NC(=S)Nc1ccccc1Oc1ccccc1)c1ccccc1 ZINC000001403595 563387714 /nfs/dbraw/zinc/38/77/14/563387714.db2.gz GDAQUPFRMCHOGG-UHFFFAOYSA-N 0 0 348.427 4.606 50 0 EJAARN Cc1ccc(OCc2nc(-c3cc(C)nc4ccccc43)no2)c(C)c1 ZINC000001426811 563388473 /nfs/dbraw/zinc/38/84/73/563388473.db2.gz DEDJNIPAYFGKHT-UHFFFAOYSA-N 0 0 345.402 4.789 50 0 EJAARN CCOc1ccc(NC(=O)CCCOc2ccc(Cl)cc2)cc1 ZINC000001773587 563410581 /nfs/dbraw/zinc/41/05/81/563410581.db2.gz CYSYYYOAAXJDFU-UHFFFAOYSA-N 0 0 333.815 4.536 50 0 EJAARN Cc1cccc(OCCCC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000001773816 563410898 /nfs/dbraw/zinc/41/08/98/563410898.db2.gz PCBQOJYMYHGHQU-UHFFFAOYSA-N 0 0 337.341 4.812 50 0 EJAARN CCCCCCc1cc2c(cc1OC(C)=O)oc(=O)c1c2CCCC1 ZINC000001797647 563412465 /nfs/dbraw/zinc/41/24/65/563412465.db2.gz MUIVLAPQXLIOGQ-UHFFFAOYSA-N 0 0 342.435 4.720 50 0 EJAARN Cc1cc(OC/C=C/c2ccccc2)c2c3c(c(=O)oc2c1)CCC3 ZINC000001797602 563412478 /nfs/dbraw/zinc/41/24/78/563412478.db2.gz HRNDRAPGWALRNN-RMKNXTFCSA-N 0 0 332.399 4.682 50 0 biogenic EJAARN CCCCOc1cccc(C(=O)Nc2ccccc2N2CCCC2)c1 ZINC000001864159 563414935 /nfs/dbraw/zinc/41/49/35/563414935.db2.gz HXLWFGUHSILOTP-UHFFFAOYSA-N 0 0 338.451 4.718 50 0 EJAARN Cc1ccccc1COc1ccc2oc(-c3ccco3)cc(=O)c2c1 ZINC000001978222 563417554 /nfs/dbraw/zinc/41/75/54/563417554.db2.gz FGQZTQNXLHTNSS-UHFFFAOYSA-N 0 0 332.355 4.940 50 0 EJAARN CCCCC(=O)Nc1nnc(Cc2ccc(Cl)cc2Cl)s1 ZINC000002055952 563420186 /nfs/dbraw/zinc/42/01/86/563420186.db2.gz IMYRQEAFINPPLO-UHFFFAOYSA-N 0 0 344.267 4.564 50 0 EJAARN CCCCCOc1cccc(OCC(=O)Nc2ccccc2Cl)c1 ZINC000002082496 563421887 /nfs/dbraw/zinc/42/18/87/563421887.db2.gz NRGSOGWPLXELLU-UHFFFAOYSA-N 0 0 347.842 4.927 50 0 EJAARN CC[C@]1(C)C[C@@](CCN(Cc2ccco2)C(C)=O)(C(C)C)CCO1 ZINC000002110873 563422565 /nfs/dbraw/zinc/42/25/65/563422565.db2.gz WECPRHUTBOEXOM-UXHICEINSA-N 0 0 335.488 4.640 50 0 biogenic EJAARN CC1(C)[C@@]2(C(=O)Nc3cccc(Cl)c3Cl)CC[C@]1(C)C(=O)C2 ZINC000002106577 563422639 /nfs/dbraw/zinc/42/26/39/563422639.db2.gz SUXPZCVVHOTCJP-SJORKVTESA-N 0 0 340.250 4.717 50 0 EJAARN CCCCC(=O)Nc1cc2nn(-c3ccc(Cl)cc3)nc2cc1C ZINC000002121728 563423154 /nfs/dbraw/zinc/42/31/54/563423154.db2.gz DNXURYBGZYBJMC-UHFFFAOYSA-N 0 0 342.830 4.511 50 0 EJAARN COc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(OC)c1 ZINC000002181325 563425519 /nfs/dbraw/zinc/42/55/19/563425519.db2.gz ACFMPIGRXNBOQF-UHFFFAOYSA-N 0 0 333.387 4.623 50 0 EJAARN CCCCCCOc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1 ZINC000002186785 563426250 /nfs/dbraw/zinc/42/62/50/563426250.db2.gz DOFDVZLMEQKJKU-SILNSSARSA-N 0 0 349.430 4.990 50 0 EJAARN CCCCc1nc2ccccc2c(=O)n1-c1cccc2ccccc21 ZINC000002311584 563429065 /nfs/dbraw/zinc/42/90/65/563429065.db2.gz INJQYHNFRVPXOC-UHFFFAOYSA-N 0 0 328.415 4.882 50 0 EJAARN O=C(NCCOc1ccccc1F)c1sc2ccccc2c1Cl ZINC000002331873 563429363 /nfs/dbraw/zinc/42/93/63/563429363.db2.gz XTQHVPCWZMQERX-UHFFFAOYSA-N 0 0 349.814 4.503 50 0 EJAARN Cc1nn2c(nc(C)cc2NCC(C)C)c1-c1ccc(Cl)cc1 ZINC000002449960 563432427 /nfs/dbraw/zinc/43/24/27/563432427.db2.gz RHCJBTVBKCODKG-UHFFFAOYSA-N 0 0 328.847 4.734 50 0 EJAARN Cc1cc(NC(=O)c2cc(-c3cccs3)nc3ccccc32)no1 ZINC000002503066 563434576 /nfs/dbraw/zinc/43/45/76/563434576.db2.gz AKHNAWIZUFRCGH-UHFFFAOYSA-N 0 0 335.388 4.512 50 0 aggregator EJAARN O=C(c1cccc(CN2CC=CC2)c1)c1cc(Cl)ccc1Cl ZINC000002515417 563436654 /nfs/dbraw/zinc/43/66/54/563436654.db2.gz OIQBVPXZYNBFQV-UHFFFAOYSA-N 0 0 332.230 4.596 50 0 EJAARN O=C(c1cc(Cl)ccc1Cl)c1ccccc1CN1CC=CC1 ZINC000002515912 563437099 /nfs/dbraw/zinc/43/70/99/563437099.db2.gz MGBKIOYEKRJTTD-UHFFFAOYSA-N 0 0 332.230 4.596 50 0 EJAARN Nc1cc(-c2ccc(Br)cc2)nn1-c1cccc(Cl)c1 ZINC000002532582 563439810 /nfs/dbraw/zinc/43/98/10/563439810.db2.gz YEFAYRRKLGPSLD-UHFFFAOYSA-N 0 0 348.631 4.537 50 0 EJAARN Nc1ncc(CSc2ccccc2)c(Sc2ccccc2)n1 ZINC000002581979 563443118 /nfs/dbraw/zinc/44/31/18/563443118.db2.gz PSOPRKLNEVTOIM-UHFFFAOYSA-N 0 0 325.462 4.502 50 0 EJAARN CCOC(=O)CCCCCCC(=O)c1ccccc1C(F)(F)F ZINC000002580322 563443153 /nfs/dbraw/zinc/44/31/53/563443153.db2.gz MUTVDZKVEYQAKM-UHFFFAOYSA-N 0 0 330.346 4.792 50 0 EJAARN CCCC[C@]1(c2ccccc2)NC(=S)N(c2ccc(Cl)cc2)N1 ZINC000002589548 563443619 /nfs/dbraw/zinc/44/36/19/563443619.db2.gz UEZHTRNJUJQBQN-SFHVURJKSA-N 0 0 345.899 4.582 50 0 EJAARN COc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Cl ZINC000002622531 563444414 /nfs/dbraw/zinc/44/44/14/563444414.db2.gz FRYUZVLZYUVMIH-UHFFFAOYSA-N 0 0 329.705 4.620 50 0 EJAARN O=C(Nc1cccc(Br)c1)c1cccc(C(F)(F)F)c1 ZINC000002617949 563444434 /nfs/dbraw/zinc/44/44/34/563444434.db2.gz NUCGNVOUNFOXOQ-UHFFFAOYSA-N 0 0 344.130 4.720 50 0 EJAARN O=C(Cc1cccc(F)c1)Nc1ccc(OCc2ccccc2)cc1 ZINC000002632324 563444827 /nfs/dbraw/zinc/44/48/27/563444827.db2.gz CABWLKGWJJACMT-UHFFFAOYSA-N 0 0 335.378 4.586 50 0 EJAARN Cc1ccn2cc(-c3cccc(NC(=O)c4ccccc4F)c3)nc2c1 ZINC000002697755 563446184 /nfs/dbraw/zinc/44/61/84/563446184.db2.gz SDUDAWOFEQZWMD-UHFFFAOYSA-N 0 0 345.377 4.701 50 0 EJAARN CCCOc1ccc([C@@H]2CC(=O)Nc3cc(C)c(C)cc32)cc1OC ZINC000002727184 563446997 /nfs/dbraw/zinc/44/69/97/563446997.db2.gz DNUDNJGSZBXILE-INIZCTEOSA-N 0 0 339.435 4.575 50 0 EJAARN Cc1ccc(-c2ccc(OS(=O)(=O)c3ccccc3)c(C)c2)cc1 ZINC000002784223 563450963 /nfs/dbraw/zinc/45/09/63/563450963.db2.gz KJKRULPTUDTWBT-UHFFFAOYSA-N 0 0 338.428 4.738 50 0 EJAARN CCCCc1ccc(NC(=S)NCCc2ccc(OC)cc2)cc1 ZINC000002835660 563453686 /nfs/dbraw/zinc/45/36/86/563453686.db2.gz USOOUOVUEUCXSH-UHFFFAOYSA-N 0 0 342.508 4.567 50 0 EJAARN CCCSc1nnc(-c2ccccc2)n1-c1ccc(OCC)cc1 ZINC000002838060 563453932 /nfs/dbraw/zinc/45/39/32/563453932.db2.gz HVDBLBKPKVMDLF-UHFFFAOYSA-N 0 0 339.464 4.835 50 0 EJAARN O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000002841446 563454632 /nfs/dbraw/zinc/45/46/32/563454632.db2.gz QTAIFNCQQGESCU-UHFFFAOYSA-N 0 0 343.835 4.808 50 0 EJAARN O=Cc1ccc(OCCOc2cccc(Cl)c2Cl)c(Cl)c1 ZINC000002866752 563458363 /nfs/dbraw/zinc/45/83/63/563458363.db2.gz LVJFXUOFFMQMIU-UHFFFAOYSA-N 0 0 345.609 4.917 50 0 EJAARN Cc1ccc(C)c(NC(=O)CSCc2c(F)cccc2Cl)c1 ZINC000002870508 563459081 /nfs/dbraw/zinc/45/90/81/563459081.db2.gz XKQPHQPLXKTFHI-UHFFFAOYSA-N 0 0 337.847 4.968 50 0 EJAARN Cc1ccc(SCCOCCn2cnc3cc(C)c(C)cc32)cc1 ZINC000002881282 563460723 /nfs/dbraw/zinc/46/07/23/563460723.db2.gz PFAABJYJIYDQME-UHFFFAOYSA-N 0 0 340.492 4.770 50 0 EJAARN CCCOc1ccc2c(c1)oc(C)c(Oc1ccccc1F)c2=O ZINC000002898925 563462471 /nfs/dbraw/zinc/46/24/71/563462471.db2.gz DFCVNWCJSXLTTM-UHFFFAOYSA-N 0 0 328.339 4.822 50 0 EJAARN COc1ccccc1OCCCOc1cccc(Cl)c1Cl ZINC000002904297 563462821 /nfs/dbraw/zinc/46/28/21/563462821.db2.gz RGXKMTVADBTQKW-UHFFFAOYSA-N 0 0 327.207 4.850 50 0 EJAARN COc1ccc(OCC(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 ZINC000002936220 563463970 /nfs/dbraw/zinc/46/39/70/563463970.db2.gz AOXLCAKTXFYVIK-UHFFFAOYSA-N 0 0 347.370 4.612 50 0 EJAARN Cc1ccc(-c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 ZINC000002956200 563464368 /nfs/dbraw/zinc/46/43/68/563464368.db2.gz VYVKMTWYTPAHSD-SFHVURJKSA-N 0 0 345.442 4.918 50 0 EJAARN O=C(NCCc1ccccc1)/C(=C/c1ccccc1)c1ccccc1 ZINC000002980730 563465756 /nfs/dbraw/zinc/46/57/56/563465756.db2.gz MMIVCKNQIPBTIR-RELWKKBWSA-N 0 0 327.427 4.586 50 0 EJAARN COc1cccc(OC)c1OCCCOc1ccc(C)cc1Cl ZINC000002983828 563466321 /nfs/dbraw/zinc/46/63/21/563466321.db2.gz HRTSWDBDIXPRMC-UHFFFAOYSA-N 0 0 336.815 4.514 50 0 EJAARN COc1cccc(OC)c1OCCCCOc1c(C)ccc(C)c1C ZINC000002985190 563466452 /nfs/dbraw/zinc/46/64/52/563466452.db2.gz PLGCZKDWSCIILA-UHFFFAOYSA-N 0 0 344.451 4.867 50 0 EJAARN O=C(COc1ccccc1)Nc1ccc(CSc2ccccc2)cc1 ZINC000002989844 563467822 /nfs/dbraw/zinc/46/78/22/563467822.db2.gz PHMNKSAWJPPRFI-UHFFFAOYSA-N 0 0 349.455 4.996 50 0 aggregator EJAARN Cc1cc(Br)ccc1NC(=O)CCCOc1ccccc1 ZINC000002992121 563468241 /nfs/dbraw/zinc/46/82/41/563468241.db2.gz OFOOOCUVGYIZFT-UHFFFAOYSA-N 0 0 348.240 4.555 50 0 EJAARN C[C@H](NC(=O)c1ccccc1OCc1ccccc1)c1ccccc1 ZINC000003003920 563469534 /nfs/dbraw/zinc/46/95/34/563469534.db2.gz GDYUGYCZGJDVJH-KRWDZBQOSA-N 0 0 331.415 4.757 50 0 EJAARN Cc1ccc(C)c(Oc2ccc(NC(=O)c3ccccc3F)cn2)c1 ZINC000034840311 563478798 /nfs/dbraw/zinc/47/87/98/563478798.db2.gz RCAJYCQPVGDUOF-UHFFFAOYSA-N 0 0 336.366 4.882 50 0 EJAARN Cc1cc2sc(NC(=O)COc3ccc(Cl)cc3)nc2c(C)c1 ZINC000003293919 563478831 /nfs/dbraw/zinc/47/88/31/563478831.db2.gz BQKSFAPGVRVFAB-UHFFFAOYSA-N 0 0 346.839 4.584 50 0 EJAARN Nc1cc(C(F)(F)F)ccc1Oc1ccc(Br)cc1 ZINC000003276840 563478913 /nfs/dbraw/zinc/47/89/13/563478913.db2.gz TVNUQAGFIPEJFE-UHFFFAOYSA-N 0 0 332.119 4.842 50 0 EJAARN CCCc1[nH]nc(-c2ccc(Cl)cc2)c1NC(=O)C1CCCC1 ZINC000034794404 563479584 /nfs/dbraw/zinc/47/95/84/563479584.db2.gz ZWLAJAOBJIQAOM-UHFFFAOYSA-N 0 0 331.847 4.811 50 0 EJAARN O=C(Nc1c(-c2ccc(Cl)cc2)n[nH]c1C1CC1)c1ccccc1 ZINC000034794323 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CC(=O)Nc1ccc(-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 ZINC000008188318 563623166 /nfs/dbraw/zinc/62/31/66/563623166.db2.gz VYFGQCSQQZMCBU-UHFFFAOYSA-N 0 0 335.407 4.660 50 0 EJAARN CCOc1ccc2ccccc2c1C(=O)Nc1cccc([C@@H](C)O)c1 ZINC000008382805 563628636 /nfs/dbraw/zinc/62/86/36/563628636.db2.gz NHRIQMHSQXDGKV-CQSZACIVSA-N 0 0 335.403 4.544 50 0 EJAARN O=C(CSc1ccccn1)Nc1ccc(/C=C/c2ccccc2)cc1 ZINC000008450186 563630540 /nfs/dbraw/zinc/63/05/40/563630540.db2.gz POXTZKWXZDYKFG-MDZDMXLPSA-N 0 0 346.455 4.983 50 0 EJAARN CC(C)(C)c1ccc(C2=N/C(=C/c3ccc(Cl)cc3)C(=O)O2)cc1 ZINC000003052808 563631226 /nfs/dbraw/zinc/63/12/26/563631226.db2.gz DROUWIOVNGPAMT-SFQUDFHCSA-N 0 0 339.822 4.982 50 0 EJAARN COc1ccccc1O[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000008496789 563631563 /nfs/dbraw/zinc/63/15/63/563631563.db2.gz KBQYUFUBWOCWOE-MRXNPFEDSA-N 0 0 347.414 4.768 50 0 EJAARN O=C(NCc1ccccc1)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000008691804 563635743 /nfs/dbraw/zinc/63/57/43/563635743.db2.gz POYCCKXSFKBRLG-UHFFFAOYSA-N 0 0 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IJVCDUMKKXMOMG-UHFFFAOYSA-N 0 0 338.407 4.892 50 0 EJAARN CCC1(CC)O[C@H](c2cccc(OC)c2OC)Nc2ccccc21 ZINC000004358220 563667528 /nfs/dbraw/zinc/66/75/28/563667528.db2.gz XUOXNNSVEBZFJJ-LJQANCHMSA-N 0 0 327.424 4.860 50 0 EJAARN Cc1noc2nc(C3CC3)cc(C(=O)Nc3cccc(Cl)c3C)c12 ZINC000012755454 563670133 /nfs/dbraw/zinc/67/01/33/563670133.db2.gz KUJPWJOLMWDQDL-UHFFFAOYSA-N 0 0 341.798 4.623 50 0 EJAARN CSc1ccccc1NC(=O)Cc1coc2cc3c(cc12)CCC3 ZINC000012787472 563670804 /nfs/dbraw/zinc/67/08/04/563670804.db2.gz BZQSAFMOLHDUGF-UHFFFAOYSA-N 0 0 337.444 4.825 50 0 EJAARN CC(C)(C)c1nc2cc(NC(=O)c3cccc4ncccc43)ccc2[nH]1 ZINC000012792887 563671976 /nfs/dbraw/zinc/67/19/76/563671976.db2.gz AYIRQFAPITZRPU-UHFFFAOYSA-N 0 0 344.418 4.661 50 0 EJAARN O=C(Nc1ccccc1F)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000012797148 563673090 /nfs/dbraw/zinc/67/30/90/563673090.db2.gz LTEUHNZVXUXWGG-KRWDZBQOSA-N 0 0 344.386 4.937 50 0 EJAARN CC(=O)Nc1cccc(NC(=O)c2cc3c(s2)CCCCCC3)c1 ZINC000012804807 563674082 /nfs/dbraw/zinc/67/40/82/563674082.db2.gz RLSNYLFHZJYIOY-UHFFFAOYSA-N 0 0 342.464 4.618 50 0 EJAARN COc1ccc(CN(C)C(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000012820923 563675239 /nfs/dbraw/zinc/67/52/39/563675239.db2.gz LTQIAPGXFPQNIT-UHFFFAOYSA-N 0 0 331.415 4.634 50 0 EJAARN Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3cccc(C)c3C)c12 ZINC000012923573 563677430 /nfs/dbraw/zinc/67/74/30/563677430.db2.gz QALZUBLKKMLQJM-UHFFFAOYSA-N 0 0 347.374 4.660 50 0 EJAARN CCOc1ccc2[nH]c(Sc3ccc(C(F)(F)F)cn3)nc2c1 ZINC000012970720 563678996 /nfs/dbraw/zinc/67/89/96/563678996.db2.gz AVPTZNGTMWCFHI-UHFFFAOYSA-N 0 0 339.342 4.527 50 0 EJAARN CC(=O)c1c(C)[nH]c(C(=O)c2oc3ccc(Cl)cc3c2C)c1C ZINC000012972454 563679591 /nfs/dbraw/zinc/67/95/91/563679591.db2.gz UCQNMEBTKKZWBY-UHFFFAOYSA-N 0 0 329.783 4.773 50 0 EJAARN CCc1ccccc1NC(=O)CCc1c(C)c2ccc(C)cc2oc1=O ZINC000012977882 563680959 /nfs/dbraw/zinc/68/09/59/563680959.db2.gz JGZMQXRPKAVAGB-UHFFFAOYSA-N 0 0 349.430 4.544 50 0 EJAARN COc1ccccc1NC(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000012999015 563684029 /nfs/dbraw/zinc/68/40/29/563684029.db2.gz YXLCPBSHLXREGO-ZDUSSCGKSA-N 0 0 348.855 4.707 50 0 EJAARN COc1ccc(NC(=O)c2ccccc2OC)cc1Cc1ccccc1 ZINC000012998353 563684036 /nfs/dbraw/zinc/68/40/36/563684036.db2.gz BKOGCBJOZSYSBX-UHFFFAOYSA-N 0 0 347.414 4.547 50 0 EJAARN CCCCCCn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccco1 ZINC000013115949 563688519 /nfs/dbraw/zinc/68/85/19/563688519.db2.gz KZLPAAATSBKGPW-OAHLLOKOSA-N 0 0 339.439 4.701 50 0 EJAARN C(c1ccccc1)=C1CCCC2C1=Nc1ncnn1[C@H]2c1ccccc1 ZINC000013122966 563688873 /nfs/dbraw/zinc/68/88/73/563688873.db2.gz SAYZCJZXFRGCCR-TVADFSRQSA-N 0 0 340.430 4.815 50 0 EJAARN Oc1ccccc1-c1nc(/C=C/c2ccccc2)nn1-c1ccccc1 ZINC000013122319 563688986 /nfs/dbraw/zinc/68/89/86/563688986.db2.gz HJBOXJGETYZTCL-FOCLMDBBSA-N 0 0 339.398 4.810 50 0 aggregator EJAARN Cc1ccccc1C(=O)Oc1c(C)cc(Br)cc1Cl ZINC000013137549 563690901 /nfs/dbraw/zinc/69/09/01/563690901.db2.gz CXNIWAGZFZRBLP-UHFFFAOYSA-N 0 0 339.616 4.939 50 0 EJAARN Cc1ccc(OC(=O)c2cc3ccccc3o2)c(Br)c1 ZINC000013137716 563690943 /nfs/dbraw/zinc/69/09/43/563690943.db2.gz JGCLVZUDNXSOSE-UHFFFAOYSA-N 0 0 331.165 4.723 50 0 EJAARN CCCCOc1c(Cl)cc(C(=O)Nc2cccnc2)cc1Cl ZINC000013281428 563693481 /nfs/dbraw/zinc/69/34/81/563693481.db2.gz VSDDQHZJTBJYAP-UHFFFAOYSA-N 0 0 339.222 4.820 50 0 EJAARN CCn1c(SCc2ccccc2F)nnc1-c1cccc(C)c1 ZINC000013325755 563694983 /nfs/dbraw/zinc/69/49/83/563694983.db2.gz NXAQZRHFMUSDJU-UHFFFAOYSA-N 0 0 327.428 4.705 50 0 EJAARN CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl ZINC000013326555 563695249 /nfs/dbraw/zinc/69/52/49/563695249.db2.gz QCCFNESQEBHSHO-GFCCVEGCSA-N 0 0 335.806 4.756 50 0 EJAARN Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](C)c1ccc(C)cc1C ZINC000013328705 563695947 /nfs/dbraw/zinc/69/59/47/563695947.db2.gz SEMWGJCWLSCFHT-HNNXBMFYSA-N 0 0 334.419 4.758 50 0 EJAARN Cc1onc(-c2ccccc2)c1C(=O)N[C@H](C)c1cc(C)ccc1C ZINC000013328711 563696009 /nfs/dbraw/zinc/69/60/09/563696009.db2.gz WPPSTNZBUJROII-OAHLLOKOSA-N 0 0 334.419 4.758 50 0 EJAARN Cn1c2ccccc2nc1SCn1c2ccccc2oc1=S ZINC000013539734 563700391 /nfs/dbraw/zinc/70/03/91/563700391.db2.gz QFNPINMVJAVCBT-UHFFFAOYSA-N 0 0 327.434 4.600 50 0 EJAARN Cc1c(C(=O)Nc2cccc3ccccc32)oc2c1[C@H](O)CC(C)(C)C2 ZINC000013551234 563701486 /nfs/dbraw/zinc/70/14/86/563701486.db2.gz DWTILTPFXNFRAK-QGZVFWFLSA-N 0 0 349.430 4.999 50 0 EJAARN COCc1nc2ccccc2n1CCCOc1ccc2ccccc2c1 ZINC000013566038 563702202 /nfs/dbraw/zinc/70/22/02/563702202.db2.gz RLPGTECEIIVYNC-UHFFFAOYSA-N 0 0 346.430 4.805 50 0 EJAARN O=C(/C=C\c1ccccc1)Nc1ccc2oc(-c3cccnc3)nc2c1 ZINC000013616716 563704308 /nfs/dbraw/zinc/70/43/08/563704308.db2.gz AJIYEOABHGCCAA-FLIBITNWSA-N 0 0 341.370 4.542 50 0 EJAARN O=C(Nc1ccc2ccccc2c1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000013627485 563704743 /nfs/dbraw/zinc/70/47/43/563704743.db2.gz XLRBYPXXOOUSRP-OAQYLSRUSA-N 0 0 347.414 4.650 50 0 EJAARN CCCN(Cc1ccccc1)C(=S)Nc1ccc(OCC)cc1 ZINC000013636164 563705530 /nfs/dbraw/zinc/70/55/30/563705530.db2.gz NDQDGGQFZDMUTN-UHFFFAOYSA-N 0 0 328.481 4.694 50 0 EJAARN CCN(Cc1cccc(F)c1)C(=O)c1csc(-c2ccccc2)n1 ZINC000032741120 563721844 /nfs/dbraw/zinc/72/18/44/563721844.db2.gz ULDBCLNFAMPXEY-UHFFFAOYSA-N 0 0 340.423 4.612 50 0 EJAARN CCOc1cccc2cc([C@H](C)NC(=O)c3cc(C)oc3C)oc21 ZINC000032744956 563724936 /nfs/dbraw/zinc/72/49/36/563724936.db2.gz PAPXXXJVOHTSFO-LBPRGKRZSA-N 0 0 327.380 4.532 50 0 EJAARN CCCc1ccc([C@H](NC(=O)c2cccnc2)c2cccs2)cc1 ZINC000032745050 563725152 /nfs/dbraw/zinc/72/51/52/563725152.db2.gz IGGJHWKLALKRKB-IBGZPJMESA-N 0 0 336.460 4.615 50 0 EJAARN S=C1N=C2C(=C3SCCS3)CCCC2[C@@H](c2ccccc2)N1 ZINC000013878973 563728434 /nfs/dbraw/zinc/72/84/34/563728434.db2.gz FESZHHIGUGMBHK-CQSZACIVSA-N 0 0 346.546 4.746 50 0 EJAARN Cc1cccc(Oc2ccccc2NC(=O)[C@@H]2Cc3ccccc3O2)c1 ZINC000032768275 563729913 /nfs/dbraw/zinc/72/99/13/563729913.db2.gz IQVGKMNCGLZPEP-NRFANRHFSA-N 0 0 345.398 4.730 50 0 EJAARN CC1=C(C)[C@@H](Sc2ccc(F)cc2)N(Cc2ccccc2)C1=O ZINC000013943399 563732092 /nfs/dbraw/zinc/73/20/92/563732092.db2.gz HPHDWWLTWSMPAC-LJQANCHMSA-N 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/nfs/dbraw/zinc/78/18/17/563781817.db2.gz HHIWWFJCWFFKJJ-UHFFFAOYSA-N 0 0 335.403 4.501 50 0 EJAARN C[C@H](NC(=O)CSCc1ccc(Cl)s1)c1ccc(F)cc1 ZINC000032891045 563782363 /nfs/dbraw/zinc/78/23/63/563782363.db2.gz MMLNTTJLUHQCOO-JTQLQIEISA-N 0 0 343.876 4.651 50 0 EJAARN O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2ccsc2)c1 ZINC000032891745 563782481 /nfs/dbraw/zinc/78/24/81/563782481.db2.gz JVCFWPLIMMRPOA-UHFFFAOYSA-N 0 0 337.404 4.644 50 0 EJAARN Cc1ccc(OCCS[C@@H](C)C(=O)Nc2ccccc2Cl)cc1 ZINC000015492212 563785416 /nfs/dbraw/zinc/78/54/16/563785416.db2.gz QYIKRUKPMOEHKZ-AWEZNQCLSA-N 0 0 349.883 4.788 50 0 EJAARN Cc1nc2ccc(N[C@H](C)c3nnc(-c4ccccc4)o3)cc2s1 ZINC000015510714 563785638 /nfs/dbraw/zinc/78/56/38/563785638.db2.gz UGYCIMQKZRVQQK-LLVKDONJSA-N 0 0 336.420 4.828 50 0 EJAARN COC(=O)c1c(C)n(C2CC2)c(C)c1-c1csc(-c2ccco2)n1 ZINC000032900785 563786889 /nfs/dbraw/zinc/78/68/89/563786889.db2.gz REHBKWQPNUEJAZ-UHFFFAOYSA-N 0 0 342.420 4.610 50 0 EJAARN O=C(Nc1nc2c(s1)CCC2)c1ccc(-c2ccccc2Cl)o1 ZINC000015636941 563789145 /nfs/dbraw/zinc/78/91/45/563789145.db2.gz MBJSZZYMQITFCX-UHFFFAOYSA-N 0 0 344.823 4.798 50 0 EJAARN O=C(Nc1cccnc1)[C@H]1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000032904765 563790660 /nfs/dbraw/zinc/79/06/60/563790660.db2.gz IAALHLOENOLSNC-GJZGRUSLSA-N 0 0 337.448 4.604 50 0 EJAARN Cc1c2ccccc2oc1C(=O)NCc1csc(-c2ccccc2)n1 ZINC000015832439 563793384 /nfs/dbraw/zinc/79/33/84/563793384.db2.gz HKQZRPCNEMOSEQ-UHFFFAOYSA-N 0 0 348.427 4.795 50 0 EJAARN Cc1ccsc1CN(Cc1ccco1)C(=O)c1ccccc1F ZINC000015831752 563793401 /nfs/dbraw/zinc/79/34/01/563793401.db2.gz HESHKIVRNALAJM-UHFFFAOYSA-N 0 0 329.396 4.631 50 0 EJAARN Cc1ccc2cccc(NC(=O)[C@H](C)Oc3cccc(C)c3C)c2n1 ZINC000015835263 563793738 /nfs/dbraw/zinc/79/37/38/563793738.db2.gz LIZXPXMSEYLZGQ-INIZCTEOSA-N 0 0 334.419 4.566 50 0 EJAARN CC(C)(C)c1ccc(C(=O)N[C@H](c2ccccc2)c2cccnc2)cc1 ZINC000015839595 563794882 /nfs/dbraw/zinc/79/48/82/563794882.db2.gz IIZYVUMBHCOXEY-OAQYLSRUSA-N 0 0 344.458 4.899 50 0 EJAARN Cc1ccc(C(=O)N[C@H](c2cccnc2)c2ccc(C)c(C)c2)cc1 ZINC000015839750 563795022 /nfs/dbraw/zinc/79/50/22/563795022.db2.gz KEDMVXQZYVXQRY-NRFANRHFSA-N 0 0 330.431 4.526 50 0 EJAARN COc1ccc(NC(=O)Cc2cccc3ccccc32)c2cccnc12 ZINC000015840641 563795550 /nfs/dbraw/zinc/79/55/50/563795550.db2.gz QMQMYIBDQJAKDJ-UHFFFAOYSA-N 0 0 342.398 4.578 50 0 EJAARN CCOc1ccc(NC(=O)c2ccccc2Cl)c2cccnc12 ZINC000015840737 563795843 /nfs/dbraw/zinc/79/58/43/563795843.db2.gz AKZJEPMIUXWSBS-UHFFFAOYSA-N 0 0 326.783 4.539 50 0 EJAARN COc1ccccc1NC(=O)N1CCCCC[C@H]1c1cccs1 ZINC000015867042 563798654 /nfs/dbraw/zinc/79/86/54/563798654.db2.gz LXUWLOLMZIMEFC-HNNXBMFYSA-N 0 0 330.453 4.906 50 0 EJAARN C[C@H](SCc1ccc(F)cc1Cl)C(=O)Nc1ccccc1F ZINC000032907786 563799738 /nfs/dbraw/zinc/79/97/38/563799738.db2.gz WNXMAYKISWLWPC-JTQLQIEISA-N 0 0 341.810 4.879 50 0 EJAARN O=C(NC1CCCCC1)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000032908056 563800077 /nfs/dbraw/zinc/80/00/77/563800077.db2.gz MLOMALNKIMMNEW-CVEARBPZSA-N 0 0 340.492 4.795 50 0 EJAARN COc1cc(SC)ccc1C(=O)N[C@@H](C)c1ccccc1Cl ZINC000016017726 563802228 /nfs/dbraw/zinc/80/22/28/563802228.db2.gz LFPIINPKOZHLEB-NSHDSACASA-N 0 0 335.856 4.562 50 0 EJAARN Cc1ccc(SCCNC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 ZINC000016310966 563808528 /nfs/dbraw/zinc/80/85/28/563808528.db2.gz QRKAACYXMTXZEL-MRXNPFEDSA-N 0 0 345.533 4.693 50 0 EJAARN Nc1c(Cl)cc(NC(=O)c2ccccc2C(F)(F)F)cc1Cl ZINC000016489526 563813267 /nfs/dbraw/zinc/81/32/67/563813267.db2.gz YZVMTWBGNLVGOP-UHFFFAOYSA-N 0 0 349.139 4.847 50 0 EJAARN O=C(NCc1ccccn1)c1sc2cc(Cl)ccc2c1Cl ZINC000016580060 563815480 /nfs/dbraw/zinc/81/54/80/563815480.db2.gz MGWGGEIXEPWFFJ-UHFFFAOYSA-N 0 0 337.231 4.533 50 0 EJAARN COc1cc(C(=O)NC(c2ccccc2)c2ccccc2)ccc1C ZINC000016636822 563818054 /nfs/dbraw/zinc/81/80/54/563818054.db2.gz AYGZPDJQRCMLAQ-UHFFFAOYSA-N 0 0 331.415 4.523 50 0 EJAARN Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000016649818 563818942 /nfs/dbraw/zinc/81/89/42/563818942.db2.gz CCNLRSSHXHBYCE-UHFFFAOYSA-N 0 0 343.839 4.728 50 0 EJAARN COc1ccc(N(Cc2ccccc2)C(=O)c2ccccc2F)cc1 ZINC000016751150 563822587 /nfs/dbraw/zinc/82/25/87/563822587.db2.gz GNQOVEHJHVBLMX-UHFFFAOYSA-N 0 0 335.378 4.681 50 0 EJAARN Cc1ccc(NC(=O)N(C2=NCCC2)c2cccc(Cl)c2)cc1 ZINC000017042308 563829772 /nfs/dbraw/zinc/82/97/72/563829772.db2.gz ZMHCABWDECNSEA-UHFFFAOYSA-N 0 0 327.815 4.879 50 0 EJAARN CC(C)c1nc(-c2ccccc2)n2nc3ccc(C(F)(F)F)cn3c12 ZINC000017043912 563829816 /nfs/dbraw/zinc/82/98/16/563829816.db2.gz AIRRIPWNIUIEDJ-UHFFFAOYSA-N 0 0 344.340 4.791 50 0 EJAARN C[C@H](NC(=O)[C@@]1(C)CC1(Cl)Cl)c1ccc(C(C)(C)C)cc1 ZINC000017067189 563831311 /nfs/dbraw/zinc/83/13/11/563831311.db2.gz OPRZMNMSKRRJBT-MEDUHNTESA-N 0 0 328.283 4.745 50 0 EJAARN COc1ccccc1NC(=O)Nc1cc(C(C)(C)C)ccc1OC ZINC000017067271 563831377 /nfs/dbraw/zinc/83/13/77/563831377.db2.gz OHCKECGNZGZIJQ-UHFFFAOYSA-N 0 0 328.412 4.645 50 0 EJAARN Cc1ccc(F)cc1NC(=S)Nc1ccccc1C(F)(F)F ZINC000017067205 563831386 /nfs/dbraw/zinc/83/13/86/563831386.db2.gz VWNZQGDQGBVTLA-UHFFFAOYSA-N 0 0 328.334 4.962 50 0 EJAARN CCn1c(SCc2ccccc2F)nnc1-c1csc(C)c1 ZINC000017068647 563832337 /nfs/dbraw/zinc/83/23/37/563832337.db2.gz CHQPAPWRUJJUBX-UHFFFAOYSA-N 0 0 333.457 4.766 50 0 EJAARN CCc1ccc([C@@H](C)NC(=O)/C=C\c2ccc(OC(C)C)cc2)cc1 ZINC000017070933 563833471 /nfs/dbraw/zinc/83/34/71/563833471.db2.gz RITKAUCCLRLAAR-XBNGYDHASA-N 0 0 337.463 4.927 50 0 EJAARN CCCCc1ccccc1NC(=S)Nc1cc(OC)cc(OC)c1 ZINC000017071908 563835360 /nfs/dbraw/zinc/83/53/60/563835360.db2.gz NIDGREFGQOLHMR-UHFFFAOYSA-N 0 0 344.480 4.855 50 0 EJAARN O=C(Cc1nc2ccccc2s1)Nc1c(Cl)cccc1Cl ZINC000017173197 563839527 /nfs/dbraw/zinc/83/95/27/563839527.db2.gz OVVUAMRALDRWBC-UHFFFAOYSA-N 0 0 337.231 4.784 50 0 EJAARN C=C(C)[C@H]1CC=C(C)C(=NNC(=O)COc2cccc3ccccc32)C1 ZINC000000358646 563841696 /nfs/dbraw/zinc/84/16/96/563841696.db2.gz OQNCUEZPKYORPP-SFHVURJKSA-N 0 0 348.446 4.623 50 0 EJAARN O=C(Nc1nc2ccccc2s1)c1cnc(-c2ccccc2)s1 ZINC000032931363 563843001 /nfs/dbraw/zinc/84/30/01/563843001.db2.gz XAJSIBYQMYYFCG-UHFFFAOYSA-N 0 0 337.429 4.672 50 0 EJAARN O=C(CSc1ccccn1)Nc1ccc2c(c1)oc1ccccc12 ZINC000017364047 563843679 /nfs/dbraw/zinc/84/36/79/563843679.db2.gz WBLFHWXWXNSAHZ-UHFFFAOYSA-N 0 0 334.400 4.712 50 0 EJAARN CCn1ccc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc21 ZINC000060189747 563844109 /nfs/dbraw/zinc/84/41/09/563844109.db2.gz UWRQYCXPUFVFFQ-UHFFFAOYSA-N 0 0 332.325 4.932 50 0 EJAARN COc1ccc(/C=C2\CCc3c4cc(C)ccc4[nH]c3C2=O)cc1OC ZINC000000478444 563844425 /nfs/dbraw/zinc/84/44/25/563844425.db2.gz IPSQGMOHQZVCFN-RVDMUPIBSA-N 0 0 347.414 4.706 50 0 EJAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc(N2CCCCC2)c(F)c1 ZINC000021577924 563861071 /nfs/dbraw/zinc/86/10/71/563861071.db2.gz CHYDXGRBHDCFMF-UHFFFAOYSA-N 0 0 346.833 4.651 50 0 EJAARN CCc1ccccc1Nc1nc(N)c(C(=O)c2ccc(C)cc2)s1 ZINC000032947695 563864339 /nfs/dbraw/zinc/86/43/39/563864339.db2.gz XORLHXWKKBKTHH-UHFFFAOYSA-N 0 0 337.448 4.571 50 0 EJAARN Cc1ccc2c(c1)CCCN2C(=O)c1cc2c(cccc2F)s1 ZINC000022840234 563864916 /nfs/dbraw/zinc/86/49/16/563864916.db2.gz NBANTPXWIKAXJF-UHFFFAOYSA-N 0 0 325.408 4.942 50 0 EJAARN Fc1ccc(-c2nc(CN3CCC[C@@H]3c3cccs3)co2)cc1 ZINC000024433783 563871345 /nfs/dbraw/zinc/87/13/45/563871345.db2.gz FHYYMSZUMRKRAI-MRXNPFEDSA-N 0 0 328.412 4.879 50 0 EJAARN CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(-c3nccs3)cc2)C1(C)C ZINC000024541681 563872275 /nfs/dbraw/zinc/87/22/75/563872275.db2.gz JLINGDSVELYWNQ-HOTGVXAUSA-N 0 0 326.465 4.987 50 0 EJAARN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1cc(C)nc(C)n1 ZINC000024568470 563872567 /nfs/dbraw/zinc/87/25/67/563872567.db2.gz HPDBFDQHEVZQMD-GXTWGEPZSA-N 0 0 343.496 4.726 50 0 EJAARN Cc1noc(C)c1CN(C)C(=O)c1ccc(C2CCCCC2)cc1 ZINC000024580967 563872845 /nfs/dbraw/zinc/87/28/45/563872845.db2.gz PXMOPBSLYIYREA-UHFFFAOYSA-N 0 0 326.440 4.611 50 0 EJAARN CCCOc1ccccc1NC(=O)N(C)[C@H](C)c1ccccc1OC ZINC000043452370 563872854 /nfs/dbraw/zinc/87/28/54/563872854.db2.gz MNOWXMMHVFMBIL-OAHLLOKOSA-N 0 0 342.439 4.709 50 0 EJAARN CCc1cccc(CC)c1NC(=O)Cc1ccc(-n2cccc2)cc1 ZINC000024574776 563872923 /nfs/dbraw/zinc/87/29/23/563872923.db2.gz QFLVXTGQHZKLDD-UHFFFAOYSA-N 0 0 332.447 4.783 50 0 EJAARN O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCOc2ccccc21 ZINC000024585985 563873169 /nfs/dbraw/zinc/87/31/69/563873169.db2.gz DELIUXYURRPIEO-UHFFFAOYSA-N 0 0 339.778 4.639 50 0 EJAARN CC(C)c1ccccc1OCC(=O)Nc1cc(Cl)ccc1N(C)C ZINC000024761871 563875450 /nfs/dbraw/zinc/87/54/50/563875450.db2.gz NENPYBFYNHXMSN-UHFFFAOYSA-N 0 0 346.858 4.547 50 0 EJAARN COc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2Cl)cc1 ZINC000043468067 563876594 /nfs/dbraw/zinc/87/65/94/563876594.db2.gz QBITWJDZPJQVDE-QGZVFWFLSA-N 0 0 330.815 4.718 50 0 EJAARN CC(C)c1ccc(-c2nc(C(=O)Nc3nccs3)cs2)cc1 ZINC000024842070 563876919 /nfs/dbraw/zinc/87/69/19/563876919.db2.gz DZEJOEJHTVQNHE-UHFFFAOYSA-N 0 0 329.450 4.642 50 0 EJAARN CN(Cc1coc(-c2ccc(Cl)cc2)n1)Cc1cccc(F)c1 ZINC000024992492 563879444 /nfs/dbraw/zinc/87/94/44/563879444.db2.gz WLDLWRZEYSTGSY-UHFFFAOYSA-N 0 0 330.790 4.766 50 0 EJAARN O=C(N[C@H]1CCCC[C@@H]1C(F)(F)F)c1cc(Cl)ccc1Cl ZINC000025047727 563880307 /nfs/dbraw/zinc/88/03/07/563880307.db2.gz FHHKPKHQHZSQQJ-JQWIXIFHSA-N 0 0 340.172 4.844 50 0 EJAARN CCCC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000025180161 563881892 /nfs/dbraw/zinc/88/18/92/563881892.db2.gz JBIAXUKJWNFQHL-INIZCTEOSA-N 0 0 340.854 4.870 50 0 EJAARN O=C(NCc1ccccc1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000025251373 563882609 /nfs/dbraw/zinc/88/26/09/563882609.db2.gz ZGUSTHFUWUPUIZ-JOCHJYFZSA-N 0 0 342.442 4.544 50 0 EJAARN O=C(CCc1cccs1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000025283690 563882970 /nfs/dbraw/zinc/88/29/70/563882970.db2.gz BVVLLPRVUUWNRJ-HXUWFJFHSA-N 0 0 335.472 4.781 50 0 EJAARN O=C(/C=C/c1ccc2ccccc2c1)N1C(=O)OC[C@@H]1c1ccccc1 ZINC000025559058 563885754 /nfs/dbraw/zinc/88/57/54/563885754.db2.gz UZZHONOIBXMLKU-VSFZPWCASA-N 0 0 343.382 4.573 50 0 EJAARN CN(Cc1nc2ccccc2s1)Cc1cc(F)cc2cccnc21 ZINC000025927326 563889235 /nfs/dbraw/zinc/88/92/35/563889235.db2.gz PJGHGHWWYPEIGH-UHFFFAOYSA-N 0 0 337.423 4.616 50 0 EJAARN O=C(N[C@H](c1cccs1)c1ccccc1)c1cccc2ncccc21 ZINC000026940765 563894035 /nfs/dbraw/zinc/89/40/35/563894035.db2.gz DWBDELQLQVZBFM-FQEVSTJZSA-N 0 0 344.439 4.816 50 0 EJAARN CN(C(=O)c1cc2c(s1)CCCCC2)c1nc2ccccc2s1 ZINC000026957934 563894089 /nfs/dbraw/zinc/89/40/89/563894089.db2.gz FWJKNCKCIJPZJJ-UHFFFAOYSA-N 0 0 342.489 4.903 50 0 EJAARN O=C(Nc1cccc(N2CCCCC2)c1)N[C@@H]1CCCc2ccccc21 ZINC000070005627 563894532 /nfs/dbraw/zinc/89/45/32/563894532.db2.gz UXXQUKLGWRSZNC-OAQYLSRUSA-N 0 0 349.478 4.876 50 0 EJAARN C[C@H](Sc1nccn1-c1ccccc1)C(=O)c1c[nH]c2ccccc21 ZINC000027487862 563896213 /nfs/dbraw/zinc/89/62/13/563896213.db2.gz OTTCEJGNFBDJQM-AWEZNQCLSA-N 0 0 347.443 4.717 50 0 EJAARN Brc1cccc(CSc2cnc3ccccc3n2)c1 ZINC000027544227 563896671 /nfs/dbraw/zinc/89/66/71/563896671.db2.gz HVXOFEKOFBABMN-UHFFFAOYSA-N 0 0 331.238 4.685 50 0 EJAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)no2)cc1C ZINC000027583584 563897182 /nfs/dbraw/zinc/89/71/82/563897182.db2.gz AAXPZVDVTQFGLF-UHFFFAOYSA-N 0 0 326.783 4.864 50 0 EJAARN O=C(Oc1ccc2c(c1)OCO2)N(c1ccccc1)c1ccccc1 ZINC000027588662 563897672 /nfs/dbraw/zinc/89/76/72/563897672.db2.gz SMNDQYIEESZXFA-UHFFFAOYSA-N 0 0 333.343 4.752 50 0 EJAARN Cc1cccc(-n2ccnc2S[C@H](C)c2nc(C(C)C)no2)c1C ZINC000027811027 563899881 /nfs/dbraw/zinc/89/98/81/563899881.db2.gz HZWXMTMWFXAKTQ-CQSZACIVSA-N 0 0 342.468 4.849 50 0 EJAARN Cc1c2ccccc2oc1C(=O)Nc1nonc1-c1ccc(C)c(C)c1 ZINC000027989991 563900668 /nfs/dbraw/zinc/90/06/68/563900668.db2.gz IEFIUGSFRVIIHL-UHFFFAOYSA-N 0 0 347.374 4.660 50 0 EJAARN Cc1cccc2c(=O)cc(C(=O)Nc3cc(Cl)ccc3Cl)oc12 ZINC000027995164 563901108 /nfs/dbraw/zinc/90/11/08/563901108.db2.gz PRZRTIVKSCLMMT-UHFFFAOYSA-N 0 0 348.185 4.661 50 0 EJAARN Cc1cc(C(=O)N[C@@H]2CCSc3c(F)cccc32)c(C)n1C1CC1 ZINC000028043887 563901216 /nfs/dbraw/zinc/90/12/16/563901216.db2.gz OPOBUGRKWVOAQX-QGZVFWFLSA-N 0 0 344.455 4.546 50 0 EJAARN Cc1ccccc1[C@@H](Sc1ncnc2c1cnn2C)c1ccccc1 ZINC000028190222 563901530 /nfs/dbraw/zinc/90/15/30/563901530.db2.gz NVDFZUHLPHCKSX-SFHVURJKSA-N 0 0 346.459 4.553 50 0 EJAARN Cc1c2ccccc2oc1C(=O)N(Cc1ccco1)Cc1ccco1 ZINC000028231930 563901887 /nfs/dbraw/zinc/90/18/87/563901887.db2.gz GFJKMSLDEDEBOT-UHFFFAOYSA-N 0 0 335.359 4.770 50 0 EJAARN Cc1ccccc1-c1nnc(-c2nc(SC(C)C)ncc2Cl)o1 ZINC000028287705 563902044 /nfs/dbraw/zinc/90/20/44/563902044.db2.gz MQXVCYVUOVBHGY-UHFFFAOYSA-N 0 0 346.843 4.656 50 0 EJAARN O=C(NCCc1c[nH]c2ccccc12)c1ccc(-c2ccccc2)s1 ZINC000028582884 563903537 /nfs/dbraw/zinc/90/35/37/563903537.db2.gz XTABYPHLLAETRJ-UHFFFAOYSA-N 0 0 346.455 4.869 50 0 EJAARN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Nc1ccc(C)cc1C ZINC000028744462 563903906 /nfs/dbraw/zinc/90/39/06/563903906.db2.gz RBHCWZMXKZVYGI-CQSZACIVSA-N 0 0 346.858 4.713 50 0 EJAARN O=C1c2ccccc2N[C@H](c2ccc(Cl)s2)N1CC(F)(F)F ZINC000011036292 563904104 /nfs/dbraw/zinc/90/41/04/563904104.db2.gz WBWZZMJRWXATDI-LBPRGKRZSA-N 0 0 346.761 4.530 50 0 EJAARN CCOCc1ccccc1NC(=O)c1ccc(Oc2ccncc2)cc1 ZINC000072284651 563906330 /nfs/dbraw/zinc/90/63/30/563906330.db2.gz HRIABYSNRCRGLA-UHFFFAOYSA-N 0 0 348.402 4.663 50 0 EJAARN C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCCC[C@@H]2c2nccs2)o1 ZINC000072285985 563907424 /nfs/dbraw/zinc/90/74/24/563907424.db2.gz DWVHNQYVENTWOU-FVQBIDKESA-N 0 0 344.480 4.546 50 0 EJAARN C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)COc2ccc3ccccc3c2)o1 ZINC000029885429 563908754 /nfs/dbraw/zinc/90/87/54/563908754.db2.gz QQXDNBGBKZVMIL-FOIQADDNSA-N 0 0 349.430 4.594 50 0 EJAARN CN(Cc1nc(-c2ccco2)no1)C(c1ccccc1)c1ccccc1 ZINC000029926244 563908870 /nfs/dbraw/zinc/90/88/70/563908870.db2.gz BZBDILSNVOBOGP-UHFFFAOYSA-N 0 0 345.402 4.551 50 0 EJAARN C[C@@H](c1cc2ccccc2o1)N(C)Cc1nnc(-c2ccccc2)o1 ZINC000030005528 563909176 /nfs/dbraw/zinc/90/91/76/563909176.db2.gz PUDNZQAUXMRESW-AWEZNQCLSA-N 0 0 333.391 4.676 50 0 EJAARN CCCc1cc(C(=O)Nc2cc3oc4ccccc4c3cc2OC)n[nH]1 ZINC000030027943 563909390 /nfs/dbraw/zinc/90/93/90/563909390.db2.gz OSXIQGXARSEDPK-UHFFFAOYSA-N 0 0 349.390 4.523 50 0 EJAARN C[C@@H](c1cccs1)N(C)C(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000030033904 563909448 /nfs/dbraw/zinc/90/94/48/563909448.db2.gz WWTQUAIIAWEYTI-NSHDSACASA-N 0 0 346.839 4.890 50 0 EJAARN Cn1ccnc1[C@H](NCc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000030643070 563910174 /nfs/dbraw/zinc/91/01/74/563910174.db2.gz SKAIJEKSVIBKIT-HXUWFJFHSA-N 0 0 333.479 4.597 50 0 EJAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCO[C@H](c2ccccc2)C1 ZINC000030765248 563910685 /nfs/dbraw/zinc/91/06/85/563910685.db2.gz AUTKZEJTPGSHBN-QFIPXVFZSA-N 0 0 343.426 4.567 50 0 EJAARN O=c1scc(C(F)(F)F)n1Cc1sc2ccccc2c1Cl ZINC000072307026 563915833 /nfs/dbraw/zinc/91/58/33/563915833.db2.gz ILYZSISQVGAWNE-UHFFFAOYSA-N 0 0 349.786 4.845 50 0 EJAARN CCc1cccc(CC)c1NC(=O)NCCc1c[nH]c2ccccc12 ZINC000033630165 563916256 /nfs/dbraw/zinc/91/62/56/563916256.db2.gz MBYXMXZKBZJLSW-UHFFFAOYSA-N 0 0 335.451 4.657 50 0 EJAARN Cc1cc(C(=O)N[C@@H](C)CCc2ccccc2)c2cccc(C)c2n1 ZINC000032961542 563916774 /nfs/dbraw/zinc/91/67/74/563916774.db2.gz QCSGUPVPVUFACN-INIZCTEOSA-N 0 0 332.447 4.603 50 0 EJAARN O=C(C=CNc1ccccc1Br)c1ccc(Cl)s1 ZINC000000434130 563917464 /nfs/dbraw/zinc/91/74/64/563917464.db2.gz UQOFIDLCWVYRRX-BQYQJAHWSA-N 0 0 342.645 4.973 50 0 EJAARN Cc1ccc(C2(c3ccc(C)cc3)C[C@@H]2C(=O)Nc2ccncc2)cc1 ZINC000000335357 563917467 /nfs/dbraw/zinc/91/74/67/563917467.db2.gz MISGYSWXLAXQAX-OAQYLSRUSA-N 0 0 342.442 4.643 50 0 EJAARN COc1cccc(CNc2cc(C)c3ccc(Cl)cc3n2)c1OC ZINC000016667615 563918024 /nfs/dbraw/zinc/91/80/24/563918024.db2.gz YOODDXLMOYLOHK-UHFFFAOYSA-N 0 0 342.826 4.826 50 0 EJAARN O=C(Nc1nc(-c2cccs2)cs1)C1(c2ccccc2)CC1 ZINC000032981825 563920635 /nfs/dbraw/zinc/92/06/35/563920635.db2.gz AGJONRRTLVLPQM-UHFFFAOYSA-N 0 0 326.446 4.542 50 0 EJAARN CCCCCOc1ccc(C(=O)CCCCCC(=O)OCC)cc1 ZINC000043214342 563925527 /nfs/dbraw/zinc/92/55/27/563925527.db2.gz WOSGYJLMTSTRRP-UHFFFAOYSA-N 0 0 334.456 4.952 50 0 EJAARN COC(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000044126608 563926162 /nfs/dbraw/zinc/92/61/62/563926162.db2.gz MXWMIUQJFKHJMF-UHFFFAOYSA-N 0 0 341.259 4.989 50 0 EJAARN Cc1ccccc1-c1cccc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000044126769 563926238 /nfs/dbraw/zinc/92/62/38/563926238.db2.gz YVDMKKLMVYSEIN-INIZCTEOSA-N 0 0 338.451 4.781 50 0 EJAARN Cc1ccccc1-c1cccc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000044126766 563926247 /nfs/dbraw/zinc/92/62/47/563926247.db2.gz YVDMKKLMVYSEIN-MRXNPFEDSA-N 0 0 338.451 4.781 50 0 EJAARN Cc1cc(C(=O)NCCc2cccc3ccccc32)c(C)n1C1CC1 ZINC000071844439 563926348 /nfs/dbraw/zinc/92/63/48/563926348.db2.gz VEMPLFVRJWTUFE-UHFFFAOYSA-N 0 0 332.447 4.566 50 0 EJAARN CCCN(CC)c1ccc(C(=O)N([C@@H](C)c2ccco2)C2CC2)cc1 ZINC000060335657 563931370 /nfs/dbraw/zinc/93/13/70/563931370.db2.gz IUTCUTXGTBRYAB-INIZCTEOSA-N 0 0 340.467 4.882 50 0 EJAARN Cc1cc(C(=O)N2CCCCC2)c2cccc(-c3ccc(F)cc3)c2n1 ZINC000033036816 563932439 /nfs/dbraw/zinc/93/24/39/563932439.db2.gz XDLOKVNIKRLPEY-UHFFFAOYSA-N 0 0 348.421 4.975 50 0 EJAARN Cc1cc(C)n(-c2ccc(S[C@H](C)c3ccccc3Cl)nn2)n1 ZINC000011140479 563932457 /nfs/dbraw/zinc/93/24/57/563932457.db2.gz KYQCBKAACJFIFO-CYBMUJFWSA-N 0 0 344.871 4.786 50 0 EJAARN Cc1ccc(O)c(-c2ccnc3cc(-c4ccc(Cl)cc4)nn32)c1 ZINC000013828444 563935153 /nfs/dbraw/zinc/93/51/53/563935153.db2.gz JZZCCLRWJNJEEV-UHFFFAOYSA-N 0 0 335.794 4.731 50 0 EJAARN O=C(Nc1ccc(Br)cc1Cl)OCc1ccccc1 ZINC000057353724 563935548 /nfs/dbraw/zinc/93/55/48/563935548.db2.gz OBPQJTHMZBDDNQ-UHFFFAOYSA-N 0 0 340.604 4.851 50 0 EJAARN CSc1nnc(CN(C)c2ccc(Oc3ccccc3)cc2)s1 ZINC000060366506 563935757 /nfs/dbraw/zinc/93/57/57/563935757.db2.gz BCZTXZMZHFQGBK-UHFFFAOYSA-N 0 0 343.477 4.689 50 0 EJAARN O=C(Nc1ccc(Cl)cc1)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000057996957 563936409 /nfs/dbraw/zinc/93/64/09/563936409.db2.gz WKFUWAFNTLESGF-SFHVURJKSA-N 0 0 344.842 4.553 50 0 EJAARN C[C@@H](SC1=NCCS1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000058065339 563937172 /nfs/dbraw/zinc/93/71/72/563937172.db2.gz PENNGRMJUXXHMQ-CYBMUJFWSA-N 0 0 342.489 4.836 50 0 EJAARN O=C(Nc1ccc2oc(C3CC3)nc2c1)NC1CCCCCCC1 ZINC000058075510 563937200 /nfs/dbraw/zinc/93/72/00/563937200.db2.gz 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/nfs/dbraw/zinc/94/05/78/563940578.db2.gz VEGIZVWTSLUCGJ-UHFFFAOYSA-N 0 0 330.800 4.687 50 0 EJAARN O=C(Nc1ccc2ncccc2c1)c1cccnc1Oc1ccccc1 ZINC000058356475 563943402 /nfs/dbraw/zinc/94/34/02/563943402.db2.gz JFKJVUZJDUWROW-UHFFFAOYSA-N 0 0 341.370 4.674 50 0 EJAARN O=C(CN1CCC[C@@H]1c1cccc(F)c1)Nc1ccc2ccccc2c1 ZINC000058356870 563943468 /nfs/dbraw/zinc/94/34/68/563943468.db2.gz DUONXWZGYBUXKU-OAQYLSRUSA-N 0 0 348.421 4.755 50 0 EJAARN Clc1ccccc1-c1nc(CSc2nccn2C2CC2)co1 ZINC000058357680 563943659 /nfs/dbraw/zinc/94/36/59/563943659.db2.gz RBMKZVBOQDVSOC-UHFFFAOYSA-N 0 0 331.828 4.819 50 0 EJAARN O=C(Nc1cccc(OC2CCCC2)c1)[C@H]1Cc2ccccc2S1 ZINC000058366859 563943900 /nfs/dbraw/zinc/94/39/00/563943900.db2.gz VFWOFQCKVSASAM-LJQANCHMSA-N 0 0 339.460 4.664 50 0 EJAARN Cc1cc2nc(N[C@H](C)c3ccc(F)c(F)c3)c3ccccc3n2n1 ZINC000058401837 563944886 /nfs/dbraw/zinc/94/48/86/563944886.db2.gz CDACPPCTBWGAJT-GFCCVEGCSA-N 0 0 338.361 4.642 50 0 EJAARN COc1ccc(-c2nc(C(=O)N(C)C3CCCCCC3)cs2)cc1 ZINC000058407623 563945234 /nfs/dbraw/zinc/94/52/34/563945234.db2.gz UXLNQBVKYPRSQR-UHFFFAOYSA-N 0 0 344.480 4.614 50 0 EJAARN Cc1ccc([C@H](C)NC(=O)COc2ccc3oc4ccccc4c3c2)o1 ZINC000058414481 563945434 /nfs/dbraw/zinc/94/54/34/563945434.db2.gz HCDLKZKJADSNCT-AWEZNQCLSA-N 0 0 349.386 4.744 50 0 EJAARN Cc1ccc([C@@H](C)NC(=O)c2cc(-c3ccco3)nc3ccccc32)o1 ZINC000058416905 563945513 /nfs/dbraw/zinc/94/55/13/563945513.db2.gz XYGFBUSSACXFQT-CQSZACIVSA-N 0 0 346.386 4.887 50 0 EJAARN CC(=O)c1ccccc1NC(=O)c1sc2nc(C)cc(C)c2c1C ZINC000058475476 563946703 /nfs/dbraw/zinc/94/67/03/563946703.db2.gz HPDJRWNDRSVWTQ-UHFFFAOYSA-N 0 0 338.432 4.676 50 0 EJAARN FC(F)(F)c1cnc(NCc2cc3ccccc3[nH]2)c(Cl)c1 ZINC000058544137 563946891 /nfs/dbraw/zinc/94/68/91/563946891.db2.gz LMNXUHGYWRTWAZ-UHFFFAOYSA-N 0 0 325.721 4.847 50 0 EJAARN CCCCN(C(=O)c1ccc(C(F)(F)F)nc1C)c1ccccc1 ZINC000058692907 563947071 /nfs/dbraw/zinc/94/70/71/563947071.db2.gz JATLOWWEDPFFNX-UHFFFAOYSA-N 0 0 336.357 4.856 50 0 EJAARN Cc1cccc(CSc2nc3ccccc3c(=O)n2CC(C)C)c1 ZINC000059094235 563947621 /nfs/dbraw/zinc/94/76/21/563947621.db2.gz YECXOSXODBJLTQ-UHFFFAOYSA-N 0 0 338.476 4.653 50 0 EJAARN O=C(Nc1ccc(N2CCc3ccccc32)cc1)N1CCCCCC1 ZINC000059351116 563948099 /nfs/dbraw/zinc/94/80/99/563948099.db2.gz NJOSYWZSBPSMIO-UHFFFAOYSA-N 0 0 335.451 4.789 50 0 EJAARN Cc1noc(C)c1[C@@H](C)NC(=O)Nc1cc(-c2ccco2)ccc1F ZINC000096435487 563952444 /nfs/dbraw/zinc/95/24/44/563952444.db2.gz FWHZVOHZMBGYPY-SNVBAGLBSA-N 0 0 343.358 4.573 50 0 EJAARN Cc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccccc2C)cc1 ZINC000064984229 563957403 /nfs/dbraw/zinc/95/74/03/563957403.db2.gz DRDAETDVRUTLKU-LJQANCHMSA-N 0 0 343.492 4.609 50 0 EJAARN CC(C)c1cc([C@@H]2CCCN2C(=O)Nc2cccc(Cl)c2)on1 ZINC000064984983 563957779 /nfs/dbraw/zinc/95/77/79/563957779.db2.gz SNNORZUSVOLRJV-HNNXBMFYSA-N 0 0 333.819 4.820 50 0 EJAARN CCc1cc([C@@H]2CCCN2C(=O)Nc2ccc(C)c(Cl)c2)on1 ZINC000064985013 563957882 /nfs/dbraw/zinc/95/78/82/563957882.db2.gz GKVJXIDNQASHRQ-HNNXBMFYSA-N 0 0 333.819 4.568 50 0 EJAARN Cc1cc(-n2cccn2)ccc1-c1c(-c2ccccc2)ncn1CCF ZINC000065427951 563960670 /nfs/dbraw/zinc/96/06/70/563960670.db2.gz SOOUENJFZOPLQS-UHFFFAOYSA-N 0 0 346.409 4.681 50 0 EJAARN CCc1noc([C@H](C)n2cnc(-c3ccccc3)c2-c2ccc(C)o2)n1 ZINC000065465392 563961285 /nfs/dbraw/zinc/96/12/85/563961285.db2.gz OELDGNMLVWZSAN-AWEZNQCLSA-N 0 0 348.406 4.673 50 0 EJAARN Oc1cccc(-c2c(-c3ccccc3)ncn2CCc2ccccn2)c1 ZINC000065525943 563961742 /nfs/dbraw/zinc/96/17/42/563961742.db2.gz OFGAZISLNQRDED-UHFFFAOYSA-N 0 0 341.414 4.560 50 0 EJAARN C[C@@H](SC/C=C\c1ccccc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000096809639 563962486 /nfs/dbraw/zinc/96/24/86/563962486.db2.gz IGHWYDBSUYRWIL-DMTLFAOVSA-N 0 0 333.403 4.738 50 0 EJAARN CC(=O)N[C@@H]1C[C@H](CC(C)C)O[C@H](c2cccc3c(C)c(C)[nH]c32)C1 ZINC000067677897 563962504 /nfs/dbraw/zinc/96/25/04/563962504.db2.gz BXQVVVGQFVWTBM-UWVAXJGDSA-N 0 0 342.483 4.556 50 0 EJAARN O=C(/C=C\c1ccccc1OC(F)F)N1CCC[C@H]1c1ccccc1 ZINC000096837118 563962769 /nfs/dbraw/zinc/96/27/69/563962769.db2.gz 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/nfs/dbraw/zinc/96/40/94/563964094.db2.gz KHSJJJBYPPSOHK-UHFFFAOYSA-N 0 0 341.798 4.543 50 0 EJAARN COc1ccc2c(c1)[C@@H](OC(C)=O)C(C)(C)[C@@H](c1cccs1)N2 ZINC000000035081 563964216 /nfs/dbraw/zinc/96/42/16/563964216.db2.gz RXFUIFJLKCASDT-IAGOWNOFSA-N 0 0 331.437 4.554 50 0 EJAARN COc1ccc(Cl)cc1-c1noc(COc2cccc(C)c2C)n1 ZINC000006703908 563964425 /nfs/dbraw/zinc/96/44/25/563964425.db2.gz UYTKJTGZZXCJQH-UHFFFAOYSA-N 0 0 344.798 4.594 50 0 EJAARN O=C(c1cccc(F)c1F)N1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000071763102 563965413 /nfs/dbraw/zinc/96/54/13/563965413.db2.gz KVMBHFXISRSQEQ-HNNXBMFYSA-N 0 0 347.380 4.589 50 0 EJAARN CSc1ccccc1[C@](C)(O)[C@H](c1ccccc1)c1ccccn1 ZINC000071767239 563965530 /nfs/dbraw/zinc/96/55/30/563965530.db2.gz GVVIRGZGDVHMFR-RTWAWAEBSA-N 0 0 335.472 4.843 50 0 EJAARN CC[C@@H](c1cccs1)n1ccnc1-c1ccc(NC(C)=O)cc1 ZINC000071767914 563965588 /nfs/dbraw/zinc/96/55/88/563965588.db2.gz UOMCZVHWEYSFIL-INIZCTEOSA-N 0 0 325.437 4.569 50 0 EJAARN COc1cccc(-c2nc(-c3ccc(N4CCC(C)CC4)cc3)no2)c1 ZINC000033255411 563966132 /nfs/dbraw/zinc/96/61/32/563966132.db2.gz VFFSUMURJKBGSA-UHFFFAOYSA-N 0 0 349.434 4.649 50 0 EJAARN CC[C@@H](C)NC(=O)Nc1ccc(-c2noc(C3CCCCC3)n2)cc1 ZINC000033257222 563966177 /nfs/dbraw/zinc/96/61/77/563966177.db2.gz PTINANSXEBPGNL-CYBMUJFWSA-N 0 0 342.443 4.704 50 0 EJAARN Cc1ccc(NC(=O)c2cccc(-c3noc(C4CCC4)n3)c2)c(C)c1 ZINC000033257701 563966244 /nfs/dbraw/zinc/96/62/44/563966244.db2.gz OMQGRWOQLBKSSC-UHFFFAOYSA-N 0 0 347.418 4.873 50 0 EJAARN COCc1nc(CS[C@H](C)c2ncc(-c3ccccc3)o2)cs1 ZINC000097014845 563966679 /nfs/dbraw/zinc/96/66/79/563966679.db2.gz AJMGWWBQOJEZOO-GFCCVEGCSA-N 0 0 346.477 4.939 50 0 EJAARN O=c1oc2c(cc(O)cc2-c2ccc(SC(F)F)cc2)s1 ZINC000000033733 563967791 /nfs/dbraw/zinc/96/77/91/563967791.db2.gz QHQKHUSTTVWBQF-UHFFFAOYSA-N 0 0 326.345 4.542 50 0 EJAARN CCN(C(=O)[C@@H](C)SCc1ccc(OC)c(F)c1)c1ccccc1 ZINC000097151278 563968359 /nfs/dbraw/zinc/96/83/59/563968359.db2.gz ZSXAYHIRSREABD-CQSZACIVSA-N 0 0 347.455 4.509 50 0 EJAARN CSCc1ccc(C(=O)N2CCCC[C@H]2c2cccc(F)c2)o1 ZINC000077406114 563969399 /nfs/dbraw/zinc/96/93/99/563969399.db2.gz YALBLTUGTKFAJJ-INIZCTEOSA-N 0 0 333.428 4.649 50 0 EJAARN Cc1ccc2nc(C)cc(C(=O)N3CC[C@H]3c3ccc(F)cc3)c2c1 ZINC000077428508 563969633 /nfs/dbraw/zinc/96/96/33/563969633.db2.gz ZOTCPURGZWMAIU-FQEVSTJZSA-N 0 0 334.394 4.578 50 0 EJAARN O=C(c1ccc2scnc2c1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000077470933 563969863 /nfs/dbraw/zinc/96/98/63/563969863.db2.gz PENCWHPACRMAMQ-QGZVFWFLSA-N 0 0 340.423 4.803 50 0 EJAARN Cc1ncc(C(=O)N(C)Cc2ccc(Oc3ccccc3)cc2)s1 ZINC000077505658 563970142 /nfs/dbraw/zinc/97/01/42/563970142.db2.gz MWIXYHGSAHTFJB-UHFFFAOYSA-N 0 0 338.432 4.516 50 0 EJAARN Cc1nc(C(C)C)sc1C(=O)N1CCC[C@@H](c2ccccc2C)C1 ZINC000077517175 563970190 /nfs/dbraw/zinc/97/01/90/563970190.db2.gz ZZRWJIIUVYYCBG-MRXNPFEDSA-N 0 0 342.508 4.903 50 0 EJAARN Cc1cc(C)c(NC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)c(C)n1 ZINC000097214005 563970456 /nfs/dbraw/zinc/97/04/56/563970456.db2.gz YTPJMJIHIICWNB-LSDHHAIUSA-N 0 0 348.368 4.768 50 0 EJAARN Cc1cc(C)c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)c(C)n1 ZINC000097214003 563970484 /nfs/dbraw/zinc/97/04/84/563970484.db2.gz YTPJMJIHIICWNB-HUUCEWRRSA-N 0 0 348.368 4.768 50 0 EJAARN CC(C)Nc1cccc(F)c1NCc1csc([C@@H]2CCCO2)n1 ZINC000097233467 563970794 /nfs/dbraw/zinc/97/07/94/563970794.db2.gz QKTHILBTDHHCEG-HNNXBMFYSA-N 0 0 335.448 4.566 50 0 EJAARN Cc1ccc2nc(-c3ccccc3)c(Nc3ccc4c(c3)OCO4)n2c1 ZINC000004735096 563971843 /nfs/dbraw/zinc/97/18/43/563971843.db2.gz TVEVIEDOKXYEJB-UHFFFAOYSA-N 0 0 343.386 4.782 50 0 EJAARN O=C(c1ccc2cc[nH]c2c1)N1CCCC[C@@H]1CCc1cccc(O)c1 ZINC000082091570 563972045 /nfs/dbraw/zinc/97/20/45/563972045.db2.gz NWCXFTSFQHINQH-LJQANCHMSA-N 0 0 348.446 4.501 50 0 EJAARN O=C(Nc1ccccc1)c1ccc(-c2nc(-c3ccccc3)no2)cc1 ZINC000033278926 563972865 /nfs/dbraw/zinc/97/28/65/563972865.db2.gz ZPHBMKBSWSCREP-UHFFFAOYSA-N 0 0 341.370 4.656 50 0 EJAARN c1ccc(-c2noc(-c3cc(N4CCCC4)nc4ccccc43)n2)cc1 ZINC000033282510 563973028 /nfs/dbraw/zinc/97/30/28/563973028.db2.gz HJGCFNWJLLNFKR-UHFFFAOYSA-N 0 0 342.402 4.552 50 0 EJAARN CCSc1ccccc1C(=O)NCc1ccc(-c2ccco2)o1 ZINC000585147812 563974091 /nfs/dbraw/zinc/97/40/91/563974091.db2.gz OBPJNIYDAOUWBO-UHFFFAOYSA-N 0 0 327.405 4.582 50 0 EJAARN Cc1cccn2cc(-c3ccc(NC(=O)c4ccccc4F)cc3)nc12 ZINC000000079503 563974568 /nfs/dbraw/zinc/97/45/68/563974568.db2.gz QRTZYSAREISADL-UHFFFAOYSA-N 0 0 345.377 4.701 50 0 EJAARN O=C(NCc1ccc(-c2ccc3c(c2)CCO3)cc1)Nc1ccccc1 ZINC000060798569 563974798 /nfs/dbraw/zinc/97/47/98/563974798.db2.gz ZRZUQQNCPAJHPT-UHFFFAOYSA-N 0 0 344.414 4.610 50 0 EJAARN Cc1nc(C(C)C)sc1C(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000091830265 563975786 /nfs/dbraw/zinc/97/57/86/563975786.db2.gz GYEZYLSTXCAGRF-CQSZACIVSA-N 0 0 332.469 4.925 50 0 EJAARN Cc1nc(C(C)C)sc1C(=O)N(C)[C@H](C)c1cc2ccccc2[nH]1 ZINC000091986166 563975953 /nfs/dbraw/zinc/97/59/53/563975953.db2.gz PLHRXTYSEWQYSU-CYBMUJFWSA-N 0 0 341.480 4.889 50 0 EJAARN CCCc1nc(C(=O)N2CCCC[C@@H]2c2cccc(F)c2)cs1 ZINC000092002576 563975961 /nfs/dbraw/zinc/97/59/61/563975961.db2.gz NGDANPBULYGXSR-MRXNPFEDSA-N 0 0 332.444 4.602 50 0 EJAARN C[C@H](Nc1nc(-c2ccsc2)nc2ccccc21)c1cccnc1 ZINC000072672907 563976229 /nfs/dbraw/zinc/97/62/29/563976229.db2.gz MUAWUYBOBMUGQO-ZDUSSCGKSA-N 0 0 332.432 4.926 50 0 EJAARN Cc1cc(C)n2c(nnc2SCc2ccc(-c3ccccc3)cc2)n1 ZINC000006172255 563976312 /nfs/dbraw/zinc/97/63/12/563976312.db2.gz VMOUFUOKFPHCLT-UHFFFAOYSA-N 0 0 346.459 4.700 50 0 EJAARN CC(C)C[C@H](O)C1CCN(c2ccc3cccc(Cl)c3n2)CC1 ZINC000095502666 563977071 /nfs/dbraw/zinc/97/70/71/563977071.db2.gz CXGVCZWCAWJSAK-KRWDZBQOSA-N 0 0 332.875 4.512 50 0 EJAARN Cc1cc2cc(NC(=O)N3CCCC[C@H]3c3cccnc3)ccc2o1 ZINC000095509031 563977208 /nfs/dbraw/zinc/97/72/08/563977208.db2.gz LYVQGSKNWSKQRE-SFHVURJKSA-N 0 0 335.407 4.895 50 0 EJAARN Cc1nn(C)c2nc(N3CCCCC[C@H]3c3cccc(F)c3)sc12 ZINC000096162468 563979896 /nfs/dbraw/zinc/97/98/96/563979896.db2.gz SVFRJDPDZPMUOI-HNNXBMFYSA-N 0 0 344.459 4.599 50 0 EJAARN O=C(Nc1ccc(F)cc1Br)c1cccc2c1CCCC2 ZINC000096171271 563980053 /nfs/dbraw/zinc/98/00/53/563980053.db2.gz KMRRXDNZVQDVIF-UHFFFAOYSA-N 0 0 348.215 4.719 50 0 EJAARN COc1cccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)c1 ZINC000011555823 563980183 /nfs/dbraw/zinc/98/01/83/563980183.db2.gz MXWRZKSSBWNGHU-UHFFFAOYSA-N 0 0 348.402 4.918 50 0 EJAARN Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2C)c(C)cc1Cl ZINC000011613728 563981234 /nfs/dbraw/zinc/98/12/34/563981234.db2.gz ZOVIXNCOZCURLF-UHFFFAOYSA-N 0 0 344.263 4.719 50 0 EJAARN Cc1nnc([C@H]2CCCN2Cc2ccc(C3CCCCC3)s2)[nH]1 ZINC000097527928 563981621 /nfs/dbraw/zinc/98/16/21/563981621.db2.gz BEZBBRWVAWFFTN-MRXNPFEDSA-N 0 0 330.501 4.559 50 0 EJAARN Cc1cc([C@@H]2CCCN2Cc2ccc3cccc(Cl)c3n2)on1 ZINC000097772716 563981875 /nfs/dbraw/zinc/98/18/75/563981875.db2.gz OELRLAVTYPFZHK-INIZCTEOSA-N 0 0 327.815 4.522 50 0 EJAARN CCn1c(/C=C\c2ccc(Cl)cc2Cl)nc2ccccc2c1=O ZINC000033383591 563983113 /nfs/dbraw/zinc/98/31/13/563983113.db2.gz GPCWFPOBSPAGFJ-NTMALXAHSA-N 0 0 345.229 4.894 50 0 EJAARN Cc1[nH]c2ccc(C(=O)N(Cc3ccc(F)cc3)C3CC3)cc2c1C ZINC000014083716 563983154 /nfs/dbraw/zinc/98/31/54/563983154.db2.gz WXTSVIXNLVUVPD-UHFFFAOYSA-N 0 0 336.410 4.729 50 0 EJAARN CC1(C)Cc2ccccc2C(c2sc3nc4c(cc3c2N)CCC4)=N1 ZINC000000104504 563986410 /nfs/dbraw/zinc/98/64/10/563986410.db2.gz DSGBOHMPWMIUSO-UHFFFAOYSA-N 0 0 347.487 4.539 50 0 EJAARN O=C1c2ccccc2N[C@H](c2cccc(F)c2)N1c1ccc(F)cc1 ZINC000000104500 563986430 /nfs/dbraw/zinc/98/64/30/563986430.db2.gz XBVLVAIVOXLBKZ-IBGZPJMESA-N 0 0 336.341 4.736 50 0 EJAARN O=C(NC1CCCCC1)c1ccc(COc2cccc(Cl)c2)o1 ZINC000000115660 563986696 /nfs/dbraw/zinc/98/66/96/563986696.db2.gz BIAZUGZSSYHHPQ-UHFFFAOYSA-N 0 0 333.815 4.575 50 0 EJAARN CC(C)CNC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000000115380 563986702 /nfs/dbraw/zinc/98/67/02/563986702.db2.gz MKKXCJUQPHAGHE-UHFFFAOYSA-N 0 0 342.222 4.551 50 0 EJAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cccc(F)c1 ZINC000000122507 563986843 /nfs/dbraw/zinc/98/68/43/563986843.db2.gz OJQSUYAIUVRCTO-UHFFFAOYSA-N 0 0 332.334 4.886 50 0 EJAARN Nc1ccccc1S[C@@H](CC(=O)c1cccs1)c1cccnc1 ZINC000000126064 563986896 /nfs/dbraw/zinc/98/68/96/563986896.db2.gz QALYPPXKBFONLL-SFHVURJKSA-N 0 0 340.473 4.832 50 0 EJAARN CC(C)(C)c1ccc(/C=C/C(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000000136011 563986994 /nfs/dbraw/zinc/98/69/94/563986994.db2.gz XYIPOKICMMPCAH-JLHYYAGUSA-N 0 0 346.474 4.838 50 0 EJAARN O=C(O[C@@H](c1ccccc1)c1nccc2ccccc21)c1ccco1 ZINC000000135030 563987039 /nfs/dbraw/zinc/98/70/39/563987039.db2.gz QDKUCYDTACUCQE-FQEVSTJZSA-N 0 0 329.355 4.774 50 0 EJAARN O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCCc2ccccc21 ZINC000000145545 563987211 /nfs/dbraw/zinc/98/72/11/563987211.db2.gz ODSVGZUJYKUUBI-CSKARUKUSA-N 0 0 332.230 4.986 50 0 EJAARN CCOC(=O)c1cnc2ccc(F)cc2c1Nc1ccc(Cl)cc1 ZINC000000145920 563987255 /nfs/dbraw/zinc/98/72/55/563987255.db2.gz LMNIWADLODXGLL-UHFFFAOYSA-N 0 0 344.773 4.948 50 0 EJAARN COC(=O)c1ccc(N[C@@H](C(=O)c2ccccc2)c2ccccc2)cc1 ZINC000000151239 563987405 /nfs/dbraw/zinc/98/74/05/563987405.db2.gz MSCBFOLLGARCIR-HXUWFJFHSA-N 0 0 345.398 4.509 50 0 EJAARN CCc1cccc(C)c1NC(=O)c1cncc(-c2ccc(OC)cc2)c1 ZINC000158299576 563987481 /nfs/dbraw/zinc/98/74/81/563987481.db2.gz GKVZUZLEYCVDIR-UHFFFAOYSA-N 0 0 346.430 4.880 50 0 EJAARN O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1ccc(F)c(F)c1 ZINC000000175349 563987617 /nfs/dbraw/zinc/98/76/17/563987617.db2.gz QEUPRMIBGIXENK-UHFFFAOYSA-N 0 0 349.340 4.760 50 0 EJAARN CCOc1ccc(C(=O)Nc2ccc3sc(SC)nc3c2)cc1 ZINC000000176235 563987671 /nfs/dbraw/zinc/98/76/71/563987671.db2.gz GTRARYVRNCOEFQ-UHFFFAOYSA-N 0 0 344.461 4.669 50 0 EJAARN COc1ccc(C2=Nc3ccccc3N=C(C(F)(F)F)C2)c(O)c1 ZINC000000185465 563987937 /nfs/dbraw/zinc/98/79/37/563987937.db2.gz RKNNOONLXFEVEB-UHFFFAOYSA-N 0 0 334.297 4.560 50 0 EJAARN CCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCCC2 ZINC000000186954 563988042 /nfs/dbraw/zinc/98/80/42/563988042.db2.gz REAVEXFBHGHERP-UHFFFAOYSA-N 0 0 342.464 4.618 50 0 EJAARN Cc1nc2c(ccc3nc(NC(=O)C4CCCCC4)sc32)s1 ZINC000000190191 563988081 /nfs/dbraw/zinc/98/80/81/563988081.db2.gz BHWHYCRSDVNHRZ-UHFFFAOYSA-N 0 0 331.466 4.733 50 0 EJAARN CCc1cc2c(cc1OC)occ(-c1ccc(OC(C)C)cc1)c2=O ZINC000000190552 563988121 /nfs/dbraw/zinc/98/81/21/563988121.db2.gz CYWOAOZTFXBNRV-UHFFFAOYSA-N 0 0 338.403 4.818 50 0 biogenic EJAARN Cc1cccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000000191593 563988182 /nfs/dbraw/zinc/98/81/82/563988182.db2.gz SPISBZXJRYZOKO-UHFFFAOYSA-N 0 0 343.732 4.685 50 0 EJAARN Clc1c(CSc2nc3ccccc3[nH]2)nc2ccc(Cl)cn21 ZINC000000193591 563988200 /nfs/dbraw/zinc/98/82/00/563988200.db2.gz UDIXEOWLIPVOGO-UHFFFAOYSA-N 0 0 349.246 4.810 50 0 EJAARN COc1ccc(OCc2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000000203114 563988416 /nfs/dbraw/zinc/98/84/16/563988416.db2.gz VWWUDTPFMACIAU-UHFFFAOYSA-N 0 0 344.414 4.672 50 0 EJAARN Cc1ccc(-c2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c3ccccc3n2)o1 ZINC000000204901 563988469 /nfs/dbraw/zinc/98/84/69/563988469.db2.gz ZNYBBKBNQBRYLY-GJZGRUSLSA-N 0 0 348.446 4.921 50 0 EJAARN O=C1Nc2ccccc2S/C1=C\c1cccc(Br)c1 ZINC000000216740 563988713 /nfs/dbraw/zinc/98/87/13/563988713.db2.gz PIDAUCZXNGDGGT-ZROIWOOFSA-N 0 0 332.222 4.534 50 0 EJAARN CCc1ccc(Sc2cc(C(=O)NC3CC3)c3ccccc3n2)cc1 ZINC000000220524 563988800 /nfs/dbraw/zinc/98/88/00/563988800.db2.gz CGXUIERBRVSOGP-UHFFFAOYSA-N 0 0 348.471 4.841 50 0 EJAARN O=C(Nc1nc2c(cc3c4c(cccc24)CC3)s1)c1cccc(F)c1 ZINC000000239966 563989103 /nfs/dbraw/zinc/98/91/03/563989103.db2.gz XBBFURJYKKMGMK-UHFFFAOYSA-N 0 0 348.402 4.940 50 0 EJAARN Cc1ccc(OCC(=O)Nc2ccc(-c3ccccc3)cc2)cc1C ZINC000000241651 563989181 /nfs/dbraw/zinc/98/91/81/563989181.db2.gz LHIYTJSMZUBRCF-UHFFFAOYSA-N 0 0 331.415 4.988 50 0 EJAARN CCCc1ccc(-c2ccc(C(=O)Oc3ccc(OC)cc3)cc2)nc1 ZINC000000242047 563989211 /nfs/dbraw/zinc/98/92/11/563989211.db2.gz QBJIWGOCJCTOSF-UHFFFAOYSA-N 0 0 347.414 4.929 50 0 EJAARN CCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(C)c2C)C1 ZINC000000252225 563989511 /nfs/dbraw/zinc/98/95/11/563989511.db2.gz MBZQABGMESUSND-KRWDZBQOSA-N 0 0 347.462 4.584 50 0 EJAARN O=C(Nc1ccccc1F)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000000254884 563989541 /nfs/dbraw/zinc/98/95/41/563989541.db2.gz KPDQVPGUVRGOGB-UHFFFAOYSA-N 0 0 347.349 4.524 50 0 EJAARN CCOC(=O)c1ccc(NC(=O)C2CCC(C(C)(C)C)CC2)cc1 ZINC000000259193 563989614 /nfs/dbraw/zinc/98/96/14/563989614.db2.gz SBTANEMBKMTTKP-UHFFFAOYSA-N 0 0 331.456 4.654 50 0 EJAARN C[C@@H](c1ccco1)N(Cc1ccco1)C(=S)Nc1ccccc1F ZINC000000263031 563989770 /nfs/dbraw/zinc/98/97/70/563989770.db2.gz SLXHPQGEJWJNQV-ZDUSSCGKSA-N 0 0 344.411 4.972 50 0 EJAARN CSc1cccc(NC(=S)N2CC[C@@H](c3ccccc3)C2)c1 ZINC000000263637 563989784 /nfs/dbraw/zinc/98/97/84/563989784.db2.gz ADBVHZZHQWFIHF-OAHLLOKOSA-N 0 0 328.506 4.595 50 0 EJAARN O=C(C=Cc1ccccc1)O[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000000265187 563989959 /nfs/dbraw/zinc/98/99/59/563989959.db2.gz GMIIBLUETWDOTO-OFYULWLWSA-N 0 0 342.394 4.867 50 0 biogenic EJAARN CCN(c1cccc(C)c1)[C@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000000270322 563990048 /nfs/dbraw/zinc/99/00/48/563990048.db2.gz OIDTZZUCHKGRND-NRFANRHFSA-N 0 0 336.479 4.621 50 0 EJAARN O=C(/C=C/c1ccccc1)Nc1ccc2oc(-c3cccnc3)nc2c1 ZINC000000277217 563990177 /nfs/dbraw/zinc/99/01/77/563990177.db2.gz AJIYEOABHGCCAA-DHZHZOJOSA-N 0 0 341.370 4.542 50 0 EJAARN Cc1ccccc1NS(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000000289008 563990239 /nfs/dbraw/zinc/99/02/39/563990239.db2.gz STLMNZVBCJVQOZ-UHFFFAOYSA-N 0 0 329.465 4.844 50 0 in-vitro EJAARN O=C(Nc1cccc(Br)c1)c1cc2ccccc2cc1O ZINC000000291004 563990292 /nfs/dbraw/zinc/99/02/92/563990292.db2.gz YKQVRUACBLLTAU-UHFFFAOYSA-N 0 0 342.192 4.560 50 0 EJAARN CCC[C@H](O)c1nc2ccccc2n1CCOc1ccccc1Cl ZINC000011692493 563991015 /nfs/dbraw/zinc/99/10/15/563991015.db2.gz YWWMTMCPOJXCSH-KRWDZBQOSA-N 0 0 344.842 4.602 50 0 EJAARN Cc1ccccc1[C@@H]1c2ccsc2CCN1C(=O)C1CCCC1 ZINC000000319404 563991134 /nfs/dbraw/zinc/99/11/34/563991134.db2.gz IZPCVQQXHVQTFA-LJQANCHMSA-N 0 0 325.477 4.721 50 0 EJAARN COC1=Cc2ccccc2[C@](O)(C2CCSCC2)c2ccsc21 ZINC000000346427 563991391 /nfs/dbraw/zinc/99/13/91/563991391.db2.gz DMQSKWYGQLKKMN-LJQANCHMSA-N 0 0 344.501 4.585 50 0 EJAARN Cc1cc(NC(=O)c2ccc(Cc3ccccc3)cc2)n(C(C)C)n1 ZINC000011695179 563991506 /nfs/dbraw/zinc/99/15/06/563991506.db2.gz KXRJWJSOZMCQKY-UHFFFAOYSA-N 0 0 333.435 4.616 50 0 EJAARN O=C(Nc1nccs1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000000351980 563991546 /nfs/dbraw/zinc/99/15/46/563991546.db2.gz FEKSTUXCBFDBTA-UHFFFAOYSA-N 0 0 338.310 4.674 50 0 EJAARN O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccccc1 ZINC000000352934 563991570 /nfs/dbraw/zinc/99/15/70/563991570.db2.gz IHJBXNFNZWMNHP-UHFFFAOYSA-N 0 0 332.334 4.886 50 0 EJAARN O=C(N[C@@H](c1ccccc1)C(Cl)(Cl)Cl)Oc1ccccc1 ZINC000000361131 563991658 /nfs/dbraw/zinc/99/16/58/563991658.db2.gz GGXQDFWWZMJNNS-ZDUSSCGKSA-N 0 0 344.625 4.887 50 0 EJAARN CC[C@H](C)c1ccc([C@@H](C)NC(=O)c2cccc(OC)c2OC)cc1 ZINC000000372361 563991854 /nfs/dbraw/zinc/99/18/54/563991854.db2.gz YSUCHCHXVZIELC-LSDHHAIUSA-N 0 0 341.451 4.708 50 0 EJAARN O=C(c1ccc(-c2ccc(F)cc2)o1)N(CC1CC1)c1cccnc1 ZINC000135569967 563992203 /nfs/dbraw/zinc/99/22/03/563992203.db2.gz QONQVHPPMOSNOS-UHFFFAOYSA-N 0 0 336.366 4.538 50 0 EJAARN O=C1Nc2ccc(Cl)cc2SC1=CNc1ccc(Cl)cc1 ZINC000100401456 563992316 /nfs/dbraw/zinc/99/23/16/563992316.db2.gz BMOCSXQJJQWPQB-RIYZIHGNSA-N 0 0 337.231 4.991 50 0 EJAARN CCO[C@H](C)c1ncc(C(=O)N(CC)c2ccccc2Cl)s1 ZINC000408513043 563992688 /nfs/dbraw/zinc/99/26/88/563992688.db2.gz PYKZSHRIIWMHCT-LLVKDONJSA-N 0 0 338.860 4.561 50 0 EJAARN CN(C(=O)c1cc2c(s1)-c1ccccc1OC2)C1CCCCC1 ZINC000005050187 563994012 /nfs/dbraw/zinc/99/40/12/563994012.db2.gz LCGPPAUNDGAMPQ-UHFFFAOYSA-N 0 0 327.449 4.712 50 0 EJAARN CC[C@H](Cc1ccccc1)NC(=O)c1csc2c1CC[C@@H](C)C2 ZINC000005070256 563994175 /nfs/dbraw/zinc/99/41/75/563994175.db2.gz GVNUNNIDIFONGS-GDBMZVCRSA-N 0 0 327.493 4.624 50 0 EJAARN C[S@](=O)c1ccc(NCc2ccc(-c3c(F)cccc3F)o2)cc1 ZINC000121647809 563994210 /nfs/dbraw/zinc/99/42/10/563994210.db2.gz WJVZBOREZIFIBL-XMMPIXPASA-N 0 0 347.386 4.574 50 0 EJAARN O=C(Nc1ccc2c(c1)OCCCO2)c1ccccc1-c1ccccc1 ZINC000011723549 563994820 /nfs/dbraw/zinc/99/48/20/563994820.db2.gz LPKAJWFHTUHEGI-UHFFFAOYSA-N 0 0 345.398 4.767 50 0 EJAARN CC(=O)c1c(C)[nH]c(-c2csc(NCCc3ccccc3)n2)c1C ZINC000005156774 563995107 /nfs/dbraw/zinc/99/51/07/563995107.db2.gz MVDGVHNSCVULRJ-UHFFFAOYSA-N 0 0 339.464 4.612 50 0 EJAARN COc1cc(/C=C/c2ccncc2)ccc1OC(=O)c1cccs1 ZINC000011858465 563995189 /nfs/dbraw/zinc/99/51/89/563995189.db2.gz YUYCSSHYRGDUKI-SNAWJCMRSA-N 0 0 337.400 4.541 50 0 EJAARN CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(CO)=C[C@H]21 ZINC000002008393 563996232 /nfs/dbraw/zinc/99/62/32/563996232.db2.gz YCBKSSAWEUDACY-DLBZAZTESA-N 0 0 330.468 4.708 50 0 world EJAARN Cc1nc2cc(Cl)cc(Cl)c2c(=O)n1-c1ccccc1Cl ZINC000000363382 563996897 /nfs/dbraw/zinc/99/68/97/563996897.db2.gz BRIYLHLREUIODF-UHFFFAOYSA-N 0 0 339.609 4.654 50 0 EJAARN COc1ccc(N2C(=O)CS[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000000423779 563998373 /nfs/dbraw/zinc/99/83/73/563998373.db2.gz SSQLBRDVNIUYOA-LJQANCHMSA-N 0 0 341.476 4.771 50 0 EJAARN Cc1cccc(-n2cc(-c3cc4ccccc4oc3=O)[nH]c2=S)c1C ZINC000000424449 563998454 /nfs/dbraw/zinc/99/84/54/563998454.db2.gz AVYARERAEFXHRZ-UHFFFAOYSA-N 0 0 348.427 4.925 50 0 EJAARN Cc1ccc2cc3c(N)c(C(=O)Nc4ccccc4C)sc3nc2c1 ZINC000000422392 563998549 /nfs/dbraw/zinc/99/85/49/563998549.db2.gz ZOSMROKDWJGHOB-UHFFFAOYSA-N 0 0 347.443 4.901 50 0 EJAARN c1csc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)c1 ZINC000000427582 563998799 /nfs/dbraw/zinc/99/87/99/563998799.db2.gz MZNDHAIFIYNGFY-UHFFFAOYSA-N 0 0 349.415 4.578 50 0 EJAARN Clc1ccc(Nc2c(-c3ccsc3)nc3ncccn32)cc1 ZINC000000428789 563998914 /nfs/dbraw/zinc/99/89/14/563998914.db2.gz PBRJDYDJICVDOM-UHFFFAOYSA-N 0 0 326.812 4.855 50 0 EJAARN CCCn1cc(SCC(=O)Nc2ccc(F)cc2)c2ccccc21 ZINC000000425886 563998984 /nfs/dbraw/zinc/99/89/84/563998984.db2.gz KGYSRFLILIUSTJ-UHFFFAOYSA-N 0 0 342.439 4.921 50 0 EJAARN CCc1ccc(NC(=O)c2cc3cc4cc(OC)ccc4nc3o2)cc1 ZINC000000429107 563999126 /nfs/dbraw/zinc/99/91/26/563999126.db2.gz WYDNHAPLHOSREX-UHFFFAOYSA-N 0 0 346.386 4.804 50 0 EJAARN O=C1OC(c2cccc3ccccc32)=N/C1=C/c1ccccc1Cl ZINC000000430405 563999384 /nfs/dbraw/zinc/99/93/84/563999384.db2.gz AQBOILYCPFUIBH-LDADJPATSA-N 0 0 333.774 4.838 50 0 EJAARN O=C1OC(c2cccc3ccccc32)=NC1=CNc1cccc(Cl)c1 ZINC000000431241 563999452 /nfs/dbraw/zinc/99/94/52/563999452.db2.gz UDGRVDJVNWCGGX-LDADJPATSA-N 0 0 348.789 4.750 50 0 EJAARN O=C(CSc1ccc(Cl)cc1)Nc1cccc2cccnc21 ZINC000000438077 563999503 /nfs/dbraw/zinc/99/95/03/563999503.db2.gz QPNXVNVEPHLVGT-UHFFFAOYSA-N 0 0 328.824 4.619 50 0 EJAARN Cc1cc2nc(-c3cc(NC(=O)CC(C)C)ccc3O)oc2c(C)c1 ZINC000009341031 563999717 /nfs/dbraw/zinc/99/97/17/563999717.db2.gz VMGLBFFBNMFHFI-UHFFFAOYSA-N 0 0 338.407 4.802 50 0 EJAARN CC(C)(C)OC(=O)N1CCC(c2ccccc2Br)CC1 ZINC000139831121 564000036 /nfs/dbraw/zinc/00/00/36/564000036.db2.gz LRXFQBYMFQBMFB-UHFFFAOYSA-N 0 0 340.261 4.564 50 0 EJAARN CNc1nc2c(s1)[C@@H](c1ccc(OC3CCCC3)cc1)CC(=O)N2 ZINC000061719928 564000454 /nfs/dbraw/zinc/00/04/54/564000454.db2.gz IALZDKSMTBXCHL-CQSZACIVSA-N 0 0 343.452 4.630 50 0 EJAARN CCSc1ccc(C(=O)Nc2nc(-c3ccncc3)cs2)cc1 ZINC000005203643 564000599 /nfs/dbraw/zinc/00/05/99/564000599.db2.gz VOSMHEXICVDMFP-UHFFFAOYSA-N 0 0 341.461 4.569 50 0 EJAARN O=C(Nc1oc2ccccc2c(=O)c1-c1ccccc1)c1cccs1 ZINC000005204728 564000695 /nfs/dbraw/zinc/00/06/95/564000695.db2.gz KGKVLNRPZSXBJL-UHFFFAOYSA-N 0 0 347.395 4.774 50 0 EJAARN Cc1nn2c(nc(C)c3c2N(C2CCCCC2)CC3)c1-c1ccccc1 ZINC000005206536 564000726 /nfs/dbraw/zinc/00/07/26/564000726.db2.gz PKKFCACEIZYZGY-UHFFFAOYSA-N 0 0 346.478 4.708 50 0 EJAARN Cc1cc(CN[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)ccc1F ZINC000080342405 564001043 /nfs/dbraw/zinc/00/10/43/564001043.db2.gz LLOJUEVJMOWWQL-LBPRGKRZSA-N 0 0 345.805 4.688 50 0 EJAARN CCc1ccc(OCCn2c3ccccc3nc2[C@@H]2CCCO2)cc1 ZINC000005235824 564001396 /nfs/dbraw/zinc/00/13/96/564001396.db2.gz FJWOJEGNUIUGNY-FQEVSTJZSA-N 0 0 336.435 4.529 50 0 EJAARN CCc1nc2c3ccccc3oc2c(Nc2cc(C)ccc2OC)n1 ZINC000005249740 564001473 /nfs/dbraw/zinc/00/14/73/564001473.db2.gz UUHIHSKTMODWPW-UHFFFAOYSA-N 0 0 333.391 4.999 50 0 EJAARN COCCn1cc(NC(=O)Nc2cccc(Cl)c2)c2ccccc21 ZINC000005266483 564001665 /nfs/dbraw/zinc/00/16/65/564001665.db2.gz GPFQDIWPGFDREX-UHFFFAOYSA-N 0 0 343.814 4.585 50 0 EJAARN COCCn1cc(NC(=O)Nc2ccc(Cl)cc2)c2ccccc21 ZINC000005266484 564001672 /nfs/dbraw/zinc/00/16/72/564001672.db2.gz KPSGGBIAOWSEPK-UHFFFAOYSA-N 0 0 343.814 4.585 50 0 EJAARN O=C(Cc1ccc(F)cc1)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000005268363 564001984 /nfs/dbraw/zinc/00/19/84/564001984.db2.gz AZYTVBPJIIUGFO-UHFFFAOYSA-N 0 0 346.361 4.815 50 0 EJAARN O=C1N2CCCN2[C@@H](c2ccc(Cl)cc2Cl)N1c1ccccc1 ZINC000005306323 564002481 /nfs/dbraw/zinc/00/24/81/564002481.db2.gz OJESBVVQDQIASP-MRXNPFEDSA-N 0 0 348.233 4.555 50 0 EJAARN CCCC(=O)N(Cc1ccccc1)c1nc2cc(OC)ccc2s1 ZINC000005299699 564002546 /nfs/dbraw/zinc/00/25/46/564002546.db2.gz DEHSPKSBCHDGHQ-UHFFFAOYSA-N 0 0 340.448 4.638 50 0 EJAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cccnc1 ZINC000005336486 564002708 /nfs/dbraw/zinc/00/27/08/564002708.db2.gz DLGOCZZDDWIPIO-UHFFFAOYSA-N 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344.461 4.588 50 0 EJAARN CCOc1ccc(C(=O)Oc2cccc3ccccc32)cc1OCC ZINC000003252469 564004209 /nfs/dbraw/zinc/00/42/09/564004209.db2.gz RLODJFQRIAOVNA-UHFFFAOYSA-N 0 0 336.387 4.856 50 0 EJAARN Cc1ccc(-n2c(=O)c3ccccc3nc2SC/C=C/Cl)cc1 ZINC000003252944 564004217 /nfs/dbraw/zinc/00/42/17/564004217.db2.gz VIOWWMHVRMHCMB-NYYWCZLTSA-N 0 0 342.851 4.539 50 0 EJAARN COc1ccc(OCC(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000005509353 564004827 /nfs/dbraw/zinc/00/48/27/564004827.db2.gz PSRGOMFHOLFWCU-UHFFFAOYSA-N 0 0 349.386 4.505 50 0 EJAARN COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(CC(C)C)=NN32)cc1 ZINC000005524399 564004995 /nfs/dbraw/zinc/00/49/95/564004995.db2.gz KZUTWIGUSKKYDZ-TZIWHRDSSA-N 0 0 336.435 4.935 50 0 EJAARN COc1ccc(-c2nc3ccccc3n2Cc2ccccc2OC)cc1 ZINC000005547710 564005246 /nfs/dbraw/zinc/00/52/46/564005246.db2.gz CIKSILMTMFQRPI-UHFFFAOYSA-N 0 0 344.414 4.769 50 0 EJAARN C[C@H](NC(=O)C1c2ccccc2Oc2ccccc21)c1cccs1 ZINC000005579009 564005794 /nfs/dbraw/zinc/00/57/94/564005794.db2.gz NKBCFNRYMLRSFM-ZDUSSCGKSA-N 0 0 335.428 4.863 50 0 EJAARN O=C(Nc1ncnc2sccc21)c1ccc(Oc2ccccc2)cc1 ZINC000005299466 564005894 /nfs/dbraw/zinc/00/58/94/564005894.db2.gz OKPFXJBADWTBNQ-UHFFFAOYSA-N 0 0 347.399 4.736 50 0 EJAARN CC(C)Oc1nc(-c2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000005384521 564005903 /nfs/dbraw/zinc/00/59/03/564005903.db2.gz BGMLVBSKTHQLLG-UHFFFAOYSA-N 0 0 325.799 4.646 50 0 EJAARN COc1cccc(C(=O)Nc2nc3ccc4ccccc4c3s2)c1 ZINC000005361595 564005933 /nfs/dbraw/zinc/00/59/33/564005933.db2.gz UZTLWTAPLQEQJG-UHFFFAOYSA-N 0 0 334.400 4.710 50 0 EJAARN CC(=O)Nc1cccc(NC(=O)c2ccccc2Oc2ccccc2)c1 ZINC000005495559 564005994 /nfs/dbraw/zinc/00/59/94/564005994.db2.gz HEQWXJMYVNBFID-UHFFFAOYSA-N 0 0 346.386 4.690 50 0 EJAARN C[P@@](=O)(Nc1cccc(Br)c1)Oc1ccccc1 ZINC000003123434 564006656 /nfs/dbraw/zinc/00/66/56/564006656.db2.gz KGMWKMUJQBUXTD-SFHVURJKSA-N 0 0 326.130 4.763 50 0 EJAARN COc1cccc(-c2noc(CSc3ccc4ccccc4n3)n2)c1 ZINC000005626793 564006676 /nfs/dbraw/zinc/00/66/76/564006676.db2.gz YQDSXEBUIUTQDM-UHFFFAOYSA-N 0 0 349.415 4.586 50 0 EJAARN C[C@@H](Sc1nc2ccccc2o1)C(=O)Nc1ccc(Cl)cc1 ZINC000005628833 564006731 /nfs/dbraw/zinc/00/67/31/564006731.db2.gz LHEFYGXZUWJRLR-SNVBAGLBSA-N 0 0 332.812 4.601 50 0 EJAARN COc1ccc(-c2noc(CSc3ccc(C)c(C)c3)n2)cc1 ZINC000008573656 564007099 /nfs/dbraw/zinc/00/70/99/564007099.db2.gz WSZDXXAUURUADQ-UHFFFAOYSA-N 0 0 326.421 4.654 50 0 EJAARN COCCC[C@@H](C)C(=O)N1CCC[C@H]1c1cccc2ccccc21 ZINC000272488689 564007361 /nfs/dbraw/zinc/00/73/61/564007361.db2.gz HMBCUUUIGDPOFJ-UZLBHIALSA-N 0 0 325.452 4.566 50 0 EJAARN CCSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(F)cc1 ZINC000017316891 564011666 /nfs/dbraw/zinc/01/16/66/564011666.db2.gz GEXCNBRAUATTHG-UHFFFAOYSA-N 0 0 338.411 4.667 50 0 EJAARN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1cccnc1 ZINC000017440264 564011886 /nfs/dbraw/zinc/01/18/86/564011886.db2.gz SLWFSDGDCCUXDV-UHFFFAOYSA-N 0 0 348.793 4.531 50 0 EJAARN O=C(Nc1ccc(-c2nccs2)cc1)c1cccc(-n2cccc2)c1 ZINC000017590685 564012015 /nfs/dbraw/zinc/01/20/15/564012015.db2.gz INAOHKPNHHIVMH-UHFFFAOYSA-N 0 0 345.427 4.853 50 0 EJAARN C[C@@H](NC(=O)c1ccc(OCc2ccccc2)cc1)c1cccs1 ZINC000017701905 564012034 /nfs/dbraw/zinc/01/20/34/564012034.db2.gz AGSJWCNUABFKST-OAHLLOKOSA-N 0 0 337.444 4.818 50 0 EJAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(F)c2ccccc12 ZINC000000036006 564012211 /nfs/dbraw/zinc/01/22/11/564012211.db2.gz HDBXIZJSZIGFPS-UHFFFAOYSA-N 0 0 327.786 4.605 50 0 EJAARN COc1ccc(Br)cc1C(=O)Nc1ccccc1C(C)C ZINC000000308311 564012376 /nfs/dbraw/zinc/01/23/76/564012376.db2.gz VDZGHKIUDZEXRJ-UHFFFAOYSA-N 0 0 348.240 4.833 50 0 EJAARN CC[C@@H](NC(=O)c1cccc(Br)c1)c1ccc(C)cc1 ZINC000000371106 564012443 /nfs/dbraw/zinc/01/24/43/564012443.db2.gz UPBRHENJRGTYPP-MRXNPFEDSA-N 0 0 332.241 4.639 50 0 EJAARN Cc1ccc(C(=O)Nc2cccc3cccnc32)cc1Br ZINC000000482476 564012456 /nfs/dbraw/zinc/01/24/56/564012456.db2.gz KHIOBQJJUJKMJU-UHFFFAOYSA-N 0 0 341.208 4.558 50 0 EJAARN COc1cccc(C(=O)COc2ccc(Cc3ccccc3)cc2)c1 ZINC000000475477 564012684 /nfs/dbraw/zinc/01/26/84/564012684.db2.gz XIYOOLMAXQZEPW-UHFFFAOYSA-N 0 0 332.399 4.548 50 0 EJAARN CCCOC(=O)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1 ZINC000001940064 564013227 /nfs/dbraw/zinc/01/32/27/564013227.db2.gz JFLOKAUUGRWXAG-FMIVXFBMSA-N 0 0 343.810 4.559 50 0 EJAARN COc1cc2c(cc1OC)[C@@H]1CCCC[C@H]1O[C@@H]2c1cccc(F)c1 ZINC000169678575 564017173 /nfs/dbraw/zinc/01/71/73/564017173.db2.gz XEZFXTLWFUBFTN-RRMPHLOHSA-N 0 0 342.410 4.989 50 0 EJAARN C[C@@H](NS(=O)(=O)c1ccc(Cl)c2ccccc21)c1ccccc1 ZINC000170615126 564017293 /nfs/dbraw/zinc/01/72/93/564017293.db2.gz IEZJKQCFVLIQDU-CYBMUJFWSA-N 0 0 345.851 4.533 50 0 EJAARN Cc1ccc(NC(=O)Cc2cc(-c3ccc(F)cc3)on2)cc1Cl ZINC000011693152 564017818 /nfs/dbraw/zinc/01/78/18/564017818.db2.gz RZRUDMUBTJXNKF-UHFFFAOYSA-N 0 0 344.773 4.624 50 0 EJAARN O=c1cc(OCc2ccccc2)cc2oc(-c3ccccc3)cc(O)c1-2 ZINC000018107177 564018046 /nfs/dbraw/zinc/01/80/46/564018046.db2.gz HIYMWHBMOOSAEF-UHFFFAOYSA-N 0 0 344.366 4.745 50 0 biogenic EJAARN O=C(CCc1ccc(F)cc1)Nc1nc(-c2ccccc2)cs1 ZINC000018114053 564018073 /nfs/dbraw/zinc/01/80/73/564018073.db2.gz PGOSDJNKOBJINF-UHFFFAOYSA-N 0 0 326.396 4.521 50 0 EJAARN S=C(NCc1ccccc1)Nc1cccc(C2SCCS2)c1 ZINC000018146299 564018428 /nfs/dbraw/zinc/01/84/28/564018428.db2.gz QWRYZWDEJBOMHI-UHFFFAOYSA-N 0 0 346.546 4.652 50 0 EJAARN Cc1cc(C)nc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)n1 ZINC000005680705 564018544 /nfs/dbraw/zinc/01/85/44/564018544.db2.gz ORQZRVIFAOJNAZ-SFHVURJKSA-N 0 0 349.459 4.566 50 0 EJAARN COc1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc(OC)c1 ZINC000005681878 564018570 /nfs/dbraw/zinc/01/85/70/564018570.db2.gz VPQJPTDIRDHYHF-UHFFFAOYSA-N 0 0 349.386 4.748 50 0 EJAARN Cc1ccc(SCC(=O)N[C@H](C)c2cc3ccccc3o2)cc1 ZINC000018221268 564018840 /nfs/dbraw/zinc/01/88/40/564018840.db2.gz LIFYTPSDUPCKLI-CQSZACIVSA-N 0 0 325.433 4.711 50 0 EJAARN O=C(Nc1cccnc1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000005689514 564018859 /nfs/dbraw/zinc/01/88/59/564018859.db2.gz JAVWVXSSDHJCOQ-UHFFFAOYSA-N 0 0 332.281 4.613 50 0 EJAARN CSc1cccc(N[C@H](C)C(=O)Nc2ccc(F)cc2Cl)c1 ZINC000005689605 564018891 /nfs/dbraw/zinc/01/88/91/564018891.db2.gz XFUUUSJNNFXPLS-SNVBAGLBSA-N 0 0 338.835 4.640 50 0 EJAARN CCn1c2ccccc2nc1NC(=O)c1cc(Cl)ccc1Cl ZINC000018232861 564018930 /nfs/dbraw/zinc/01/89/30/564018930.db2.gz RVLTXPJSSAOBCM-UHFFFAOYSA-N 0 0 334.206 4.615 50 0 EJAARN O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccccc1Cl ZINC000000501670 564019084 /nfs/dbraw/zinc/01/90/84/564019084.db2.gz RSONJCLDIGXCLC-UHFFFAOYSA-N 0 0 347.805 4.907 50 0 EJAARN Cc1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)cc1 ZINC000000509753 564019893 /nfs/dbraw/zinc/01/98/93/564019893.db2.gz BQEJDARZQZLIBA-UHFFFAOYSA-N 0 0 343.386 4.759 50 0 EJAARN Cc1ccc2c(CC(=O)Nc3ccc(Br)cc3)coc2c1 ZINC000000510340 564020067 /nfs/dbraw/zinc/02/00/67/564020067.db2.gz DKYUPBFDPGQZMR-UHFFFAOYSA-N 0 0 344.208 4.685 50 0 EJAARN O=C(Nc1cccc2ccccc21)N1CCCC[C@@H]1c1ccncc1 ZINC000000520552 564020972 /nfs/dbraw/zinc/02/09/72/564020972.db2.gz OTNPKGYHPMECIM-HXUWFJFHSA-N 0 0 331.419 4.994 50 0 EJAARN Cc1ccc(-c2nnc3c4ccccc4c(-c4ccccc4)nn23)cc1 ZINC000000524896 564021151 /nfs/dbraw/zinc/02/11/51/564021151.db2.gz YMFOGQWNWPIQJK-UHFFFAOYSA-N 0 0 336.398 4.920 50 0 EJAARN CCSc1nc2ccc(NC(=O)c3ccc(C)cc3)cc2s1 ZINC000000532517 564021583 /nfs/dbraw/zinc/02/15/83/564021583.db2.gz UCJRRQUTGJKFRD-UHFFFAOYSA-N 0 0 328.462 4.969 50 0 EJAARN COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CCC1CCCC1 ZINC000000535199 564022082 /nfs/dbraw/zinc/02/20/82/564022082.db2.gz YUPUWXIDCQUFKX-UHFFFAOYSA-N 0 0 348.830 4.517 50 0 EJAARN COc1cccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)c1 ZINC000000536748 564022198 /nfs/dbraw/zinc/02/21/98/564022198.db2.gz VWIMMIZDAJIOIF-HXUWFJFHSA-N 0 0 327.387 4.684 50 0 EJAARN COc1ccc2oc3cc(C)[n+]([O-])c(-c4ccc(Cl)cc4)c3c2c1 ZINC000000543007 564022443 /nfs/dbraw/zinc/02/24/43/564022443.db2.gz CHUBMNMRGAUHOR-UHFFFAOYSA-N 0 0 339.778 4.857 50 0 EJAARN COc1ccc([C@@H](C)NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000000550007 564022823 /nfs/dbraw/zinc/02/28/23/564022823.db2.gz GUCUPAYGBKHLRO-QGZVFWFLSA-N 0 0 345.442 4.705 50 0 EJAARN CC(C)CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccccc1 ZINC000000549245 564022912 /nfs/dbraw/zinc/02/29/12/564022912.db2.gz BUJWXUXULACKHE-MRXNPFEDSA-N 0 0 335.451 4.573 50 0 EJAARN CC(C)Oc1ccc([C@@H](CC(=O)Nc2nccs2)C(C)C)cc1 ZINC000000553284 564022954 /nfs/dbraw/zinc/02/29/54/564022954.db2.gz WSTLLHGYYSJOTH-INIZCTEOSA-N 0 0 332.469 4.699 50 0 EJAARN O=C1O[C@@H](Nc2nc(-c3ccc(Cl)cc3)cs2)c2ccccc21 ZINC000000552722 564023024 /nfs/dbraw/zinc/02/30/24/564023024.db2.gz CWLNOWHKJXJOHM-OAHLLOKOSA-N 0 0 342.807 4.745 50 0 EJAARN O=C1N2CCCN2[C@H](c2ccccc2Cl)N1c1ccc(Cl)cc1 ZINC000000552909 564023045 /nfs/dbraw/zinc/02/30/45/564023045.db2.gz ZMZLTFAZDDSYJW-INIZCTEOSA-N 0 0 348.233 4.555 50 0 EJAARN CSc1ncnc2c3c4c(c(CC(C)C)nc3sc21)CCC4 ZINC000000553794 564023100 /nfs/dbraw/zinc/02/31/00/564023100.db2.gz HGXVRKSYRUMTQT-UHFFFAOYSA-N 0 0 329.494 4.649 50 0 EJAARN O=C(c1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1cccs1 ZINC000000553910 564023085 /nfs/dbraw/zinc/02/30/85/564023085.db2.gz CANXOKJCSQTLOW-SFHVURJKSA-N 0 0 332.428 4.740 50 0 EJAARN CC(C)c1ccccc1NC(=O)CN1c2cccc3cccc(c23)C1=O ZINC000000555661 564023126 /nfs/dbraw/zinc/02/31/26/564023126.db2.gz VJDJKARCKZLEMD-UHFFFAOYSA-N 0 0 344.414 4.562 50 0 EJAARN Cc1ccc(-c2csc(NC(=O)c3ccc(F)cc3)n2)c(C)c1 ZINC000000567770 564023426 /nfs/dbraw/zinc/02/34/26/564023426.db2.gz LDCRIDIKBARKSI-UHFFFAOYSA-N 0 0 326.396 4.818 50 0 EJAARN CSc1nc2ccc(NC(=O)c3ccc(Cl)s3)cc2s1 ZINC000000567821 564023446 /nfs/dbraw/zinc/02/34/46/564023446.db2.gz BFPZYYVAUPOGIT-UHFFFAOYSA-N 0 0 340.882 4.985 50 0 EJAARN O=C(Nc1cnc(-c2cccc(Cl)c2)nc1)c1ccccc1Cl ZINC000097938605 564023792 /nfs/dbraw/zinc/02/37/92/564023792.db2.gz BIQSAQLOUZALRR-UHFFFAOYSA-N 0 0 344.201 4.703 50 0 EJAARN COc1ccc2ccccc2c1[S@@](=O)Nc1cc(C)cc(C)c1 ZINC000005724842 564024081 /nfs/dbraw/zinc/02/40/81/564024081.db2.gz SQECMLOLFXWRQE-QHCPKHFHSA-N 0 0 325.433 4.600 50 0 EJAARN Cc1ccccc1C(=O)Nc1c(-c2ccccc2)nc2ccccn21 ZINC000000577599 564024229 /nfs/dbraw/zinc/02/42/29/564024229.db2.gz BZSMXUZWSUEJFJ-UHFFFAOYSA-N 0 0 327.387 4.562 50 0 EJAARN C[C@H](NC(=O)CCc1c[nH]c2ccccc12)c1cccc(Cl)c1 ZINC000015562057 564024238 /nfs/dbraw/zinc/02/42/38/564024238.db2.gz PROWQOLDGBZTMZ-ZDUSSCGKSA-N 0 0 326.827 4.631 50 0 EJAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc2ccccc21 ZINC000000579787 564024355 /nfs/dbraw/zinc/02/43/55/564024355.db2.gz YSAYAFGZIQVJFY-CYBMUJFWSA-N 0 0 325.795 4.899 50 0 EJAARN Cc1cc2sc(NC(=O)c3ccc4ccccc4n3)nc2c(C)c1 ZINC000014861797 564025236 /nfs/dbraw/zinc/02/52/36/564025236.db2.gz PHDRNJKJCGCBFB-UHFFFAOYSA-N 0 0 333.416 4.714 50 0 EJAARN COC(=O)c1c(Nc2ccc(C)c(C)c2)onc1-c1ccc(F)cc1 ZINC000046914478 564025594 /nfs/dbraw/zinc/02/55/94/564025594.db2.gz KVZHUTKKFPJWHV-UHFFFAOYSA-N 0 0 340.354 4.628 50 0 EJAARN Cc1cc(C)n(-c2ccc(NC(=O)c3ccccc3Cl)cc2F)n1 ZINC000047409279 564026243 /nfs/dbraw/zinc/02/62/43/564026243.db2.gz VORNVXZVAPJXRD-UHFFFAOYSA-N 0 0 343.789 4.534 50 0 EJAARN C[C@H](c1cccs1)N(C)C(=O)c1cc(-c2ccccc2Cl)on1 ZINC000047455088 564026324 /nfs/dbraw/zinc/02/63/24/564026324.db2.gz YGACNNRSYWMQJU-LLVKDONJSA-N 0 0 346.839 4.890 50 0 EJAARN Cc1ccc(F)c(NC(=O)c2cc(-c3cccc4ccccc43)[nH]n2)c1 ZINC000044838337 564027313 /nfs/dbraw/zinc/02/73/13/564027313.db2.gz VZGXBQQJJSAHOB-UHFFFAOYSA-N 0 0 345.377 4.930 50 0 EJAARN O=C(Nc1cccc(Cl)c1)Nc1cccc(OC(F)(F)F)c1 ZINC000044845041 564027465 /nfs/dbraw/zinc/02/74/65/564027465.db2.gz OGJVCQPBGSTFEQ-UHFFFAOYSA-N 0 0 330.693 4.883 50 0 EJAARN CCSc1ccccc1NC(=O)COc1ccc(Cl)c(C)c1 ZINC000044900768 564027604 /nfs/dbraw/zinc/02/76/04/564027604.db2.gz SWRJAQLKXYNAJK-UHFFFAOYSA-N 0 0 335.856 4.778 50 0 EJAARN Cc1ccc(NC(=O)/C=C/c2ccccc2)c(C(=O)c2ccccc2)c1 ZINC000109273986 564028786 /nfs/dbraw/zinc/02/87/86/564028786.db2.gz AJUDGEAMZZACBQ-FYWRMAATSA-N 0 0 341.410 4.878 50 0 EJAARN CCCOC(=O)c1nc2ccccc2nc1Nc1cc(C)cc(C)c1 ZINC000045901151 564028817 /nfs/dbraw/zinc/02/88/17/564028817.db2.gz WHZWWDFFUBOHTN-UHFFFAOYSA-N 0 0 335.407 4.557 50 0 EJAARN O=C1C[C@@H](c2ccc(O)cc2)c2scc(-c3ccccc3F)c2N1 ZINC000046076602 564029417 /nfs/dbraw/zinc/02/94/17/564029417.db2.gz SPKSUDNODKIJKQ-AWEZNQCLSA-N 0 0 339.391 4.734 50 0 EJAARN Cc1ccc(NC2(c3nnnn3-c3cccc(C)c3)CCCCC2)cc1 ZINC000046078349 564029509 /nfs/dbraw/zinc/02/95/09/564029509.db2.gz MGIGXXQEYUUOIQ-UHFFFAOYSA-N 0 0 347.466 4.551 50 0 EJAARN Fc1cccc(-c2nc(CN3CCC[C@@H]3c3ccsc3)co2)c1 ZINC000046088971 564029555 /nfs/dbraw/zinc/02/95/55/564029555.db2.gz IMNLAHMKGPIBCB-QGZVFWFLSA-N 0 0 328.412 4.879 50 0 EJAARN Fc1cccc(-c2noc(C[C@@H](c3ccccc3)C(F)(F)F)n2)c1 ZINC000109605360 564029604 /nfs/dbraw/zinc/02/96/04/564029604.db2.gz DPNJAHWVFGLGFH-AWEZNQCLSA-N 0 0 336.288 4.764 50 0 EJAARN C[C@H](c1nnc(-c2cccs2)o1)N1CCC[C@@H]1c1ccsc1 ZINC000048234206 564030107 /nfs/dbraw/zinc/03/01/07/564030107.db2.gz OLBBZAMRFQROGV-DGCLKSJQSA-N 0 0 331.466 4.758 50 0 EJAARN O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@H]1c1ccsc1 ZINC000048248077 564030217 /nfs/dbraw/zinc/03/02/17/564030217.db2.gz DFTUVIKUTZKOAW-IBGZPJMESA-N 0 0 338.476 4.916 50 0 EJAARN CC(C)Sc1ncccc1C(=O)N(C)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000048249431 564030234 /nfs/dbraw/zinc/03/02/34/564030234.db2.gz RTEWZZYNAUKXIY-BBRMVZONSA-N 0 0 344.480 4.571 50 0 EJAARN Fc1cccc(-c2nc(CN3CCC[C@@H]3c3cccc(F)c3)co2)c1 ZINC000048262061 564030337 /nfs/dbraw/zinc/03/03/37/564030337.db2.gz YSUPOJSVXCDGJC-LJQANCHMSA-N 0 0 340.373 4.957 50 0 EJAARN C[C@@H](Sc1nc(-c2ccc(F)cc2)c[nH]1)c1nc(C(C)(C)C)no1 ZINC000048325631 564030998 /nfs/dbraw/zinc/03/09/98/564030998.db2.gz VYMLFNDMZQXPTA-SNVBAGLBSA-N 0 0 346.431 4.750 50 0 EJAARN Cc1ccc(CN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C(C)C)o1 ZINC000048326899 564031180 /nfs/dbraw/zinc/03/11/80/564031180.db2.gz JWCCBVQXSGAUDT-UHFFFAOYSA-N 0 0 330.815 4.774 50 0 EJAARN COc1ccc([C@H]2CCCCCN2C(=O)c2ccnc(Cl)c2)cc1 ZINC000048332455 564031190 /nfs/dbraw/zinc/03/11/90/564031190.db2.gz ZLHZRDBFEPFATQ-QGZVFWFLSA-N 0 0 344.842 4.501 50 0 EJAARN FC(F)(F)c1cnc(SCc2nnsc2Cl)c(Cl)c1 ZINC000048397355 564031722 /nfs/dbraw/zinc/03/17/22/564031722.db2.gz WDWLMHJVNFXDFG-UHFFFAOYSA-N 0 0 346.186 4.551 50 0 EJAARN CCCCCCNC(=O)c1cc2c(cccc2OCC)n1CCC ZINC000006706215 564033395 /nfs/dbraw/zinc/03/33/95/564033395.db2.gz XPTYKAYEXWUKSX-UHFFFAOYSA-N 0 0 330.472 4.760 50 0 EJAARN Cc1ccc(CN=Nc2nc3ccccc3c(-c3ccccc3)n2)o1 ZINC000245265334 564033527 /nfs/dbraw/zinc/03/35/27/564033527.db2.gz GBXYGYQQUGNEDF-UHFFFAOYSA-N 0 0 328.375 4.644 50 0 EJAARN CC(C)(C)c1cc(C(=O)Nc2nccs2)cc(C(C)(C)C)c1O ZINC000000386968 564033646 /nfs/dbraw/zinc/03/36/46/564033646.db2.gz FQWVVMGMCGXFKB-UHFFFAOYSA-N 0 0 332.469 4.696 50 0 EJAARN COc1cc(C)ccc1OCc1csc(-c2ccc(F)cc2)n1 ZINC000301604605 564033722 /nfs/dbraw/zinc/03/37/22/564033722.db2.gz HPRABYUVSGUOIX-UHFFFAOYSA-N 0 0 329.396 4.845 50 0 EJAARN O=C(COc1ccc(F)cc1F)Nc1ccccc1-c1cccs1 ZINC000024877592 564034227 /nfs/dbraw/zinc/03/42/27/564034227.db2.gz HEZWCUFLLXCTMY-UHFFFAOYSA-N 0 0 345.370 4.711 50 0 EJAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)/C=C/c1ccc(F)cc1 ZINC000007706113 564034459 /nfs/dbraw/zinc/03/44/59/564034459.db2.gz GWEBMZOMWUNQHZ-CNELAYHGSA-N 0 0 340.423 4.668 50 0 EJAARN O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1ccc(Cl)cc1 ZINC000007725393 564034471 /nfs/dbraw/zinc/03/44/71/564034471.db2.gz HVJVTHOUTSSDSH-UHFFFAOYSA-N 0 0 339.826 4.668 50 0 EJAARN CC(C)n1cc(CCNC(=O)c2cc3ccccc3[nH]2)c2ccccc21 ZINC000604419289 564034878 /nfs/dbraw/zinc/03/48/78/564034878.db2.gz KCIDIGFKEITPHP-UHFFFAOYSA-N 0 0 345.446 4.676 50 0 EJAARN O=C(NCCCc1cc2ccccc2o1)C12CC3CC(CC(C3)C1)C2 ZINC000390831629 564035059 /nfs/dbraw/zinc/03/50/59/564035059.db2.gz SYQLEJBBYCDVGU-UHFFFAOYSA-N 0 0 337.463 4.698 50 0 EJAARN COc1ccccc1-c1ccc(C(=O)N[C@H](C)c2ccc(C)cn2)cc1 ZINC000220486712 564035882 /nfs/dbraw/zinc/03/58/82/564035882.db2.gz ZYMNYWKLNXRPDZ-MRXNPFEDSA-N 0 0 346.430 4.557 50 0 EJAARN CN(CCC[C@@H]1CCCO1)C(=O)c1cccc(-c2ccccc2F)c1 ZINC000220692056 564035968 /nfs/dbraw/zinc/03/59/68/564035968.db2.gz NMDMXQDKJOLAHH-GOSISDBHSA-N 0 0 341.426 4.524 50 0 EJAARN Cc1cc(C(=O)Nc2ccccc2C(F)(F)F)c2ccccc2n1 ZINC000032961426 564036327 /nfs/dbraw/zinc/03/63/27/564036327.db2.gz QGTRDCPLXHJFSD-UHFFFAOYSA-N 0 0 330.309 4.814 50 0 EJAARN Cc1ccc(CNC(=O)c2cc(N3CCCCC3)ccc2Cl)s1 ZINC000223397141 564039782 /nfs/dbraw/zinc/03/97/82/564039782.db2.gz OOIUPRKLBLLNCJ-UHFFFAOYSA-N 0 0 348.899 4.630 50 0 EJAARN Cc1cc(C)c(NC(=O)c2cnc(-c3cccs3)s2)c(Cl)n1 ZINC000225434407 564046669 /nfs/dbraw/zinc/04/66/69/564046669.db2.gz XDTJMWDLLJZWOD-UHFFFAOYSA-N 0 0 349.868 4.789 50 0 EJAARN COc1cc(CNc2ccc3ccn(C)c3c2)c(SC)cc1OC ZINC000225502890 564047348 /nfs/dbraw/zinc/04/73/48/564047348.db2.gz MYODQQVINBXMES-UHFFFAOYSA-N 0 0 342.464 4.530 50 0 EJAARN C[C@H]1CCCCN1C(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000059323058 564050677 /nfs/dbraw/zinc/05/06/77/564050677.db2.gz KATOPZWZQNWNNB-NSHDSACASA-N 0 0 332.296 4.628 50 0 EJAARN Cc1nc(CC(C)C)oc1C(=O)Nc1ccccc1CC(F)(F)F ZINC000241439927 564052015 /nfs/dbraw/zinc/05/20/15/564052015.db2.gz NNMSCPOLZDXWHQ-UHFFFAOYSA-N 0 0 340.345 4.539 50 0 EJAARN COc1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1OC ZINC000015011777 564052486 /nfs/dbraw/zinc/05/24/86/564052486.db2.gz GIMJVFSSRNYNKZ-UHFFFAOYSA-N 0 0 333.387 4.623 50 0 EJAARN CC(C)(C)CC(=O)Nc1c(-c2ccc(F)cc2)nc2sccn21 ZINC000018705664 564052543 /nfs/dbraw/zinc/05/25/43/564052543.db2.gz PIHVUCLFWCWJBO-UHFFFAOYSA-N 0 0 331.416 4.577 50 0 EJAARN Cc1ccc(-c2noc(CCC(=O)Nc3ccccc3C(C)C)n2)cc1 ZINC000018944491 564052710 /nfs/dbraw/zinc/05/27/10/564052710.db2.gz BJWUOFUTSSZGAQ-UHFFFAOYSA-N 0 0 349.434 4.740 50 0 EJAARN Cc1ccc(CC2=C3C(=NC(=S)N[C@@H]3c3ccc(C)cc3)CC2)cc1 ZINC000210954860 564053211 /nfs/dbraw/zinc/05/32/11/564053211.db2.gz IOYLMRXZOHCIKA-USUABIMMSA-N 0 0 346.499 4.954 50 0 EJAARN Cc1nc(C(F)(F)F)ccc1NC(=O)Nc1cccc(Cl)c1 ZINC000252489953 564053448 /nfs/dbraw/zinc/05/34/48/564053448.db2.gz KGAKHUISLWSABD-UHFFFAOYSA-N 0 0 329.709 4.706 50 0 EJAARN CC(C)(C)[C@@H]1CCc2nc(NC(=O)c3ccc(F)cc3)sc2C1 ZINC000001104264 564054503 /nfs/dbraw/zinc/05/45/03/564054503.db2.gz PNOUDRBQZVKJBN-GFCCVEGCSA-N 0 0 332.444 4.686 50 0 EJAARN C[C@H](c1nc2ccccc2s1)N(C)Cc1ccc(-n2cccn2)cc1 ZINC000052661804 564054543 /nfs/dbraw/zinc/05/45/43/564054543.db2.gz YCGUEYOFIZCUCV-OAHLLOKOSA-N 0 0 348.475 4.675 50 0 EJAARN CC(=O)O[C@@H]1C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]2(C)C1=O ZINC000257345567 564055813 /nfs/dbraw/zinc/05/58/13/564055813.db2.gz BQNVVPPVBZECMC-FZAOWKRDSA-N 0 0 332.484 4.530 50 0 EJAARN CCN(C(=O)OC(C)(C)C)c1ccc(Br)c(Cl)c1 ZINC000261493407 564056170 /nfs/dbraw/zinc/05/61/70/564056170.db2.gz ALQWHXZBGNWZFV-UHFFFAOYSA-N 0 0 334.641 4.864 50 0 EJAARN Cc1cccn2c(NC(=O)c3cccs3)c(-c3ccccc3)nc12 ZINC000005827166 564056539 /nfs/dbraw/zinc/05/65/39/564056539.db2.gz DJMLNRSCZLXAEF-UHFFFAOYSA-N 0 0 333.416 4.624 50 0 EJAARN COc1ccc(CCSc2nnc3cc(C)c4ccccc4n32)cc1 ZINC000005885922 564056826 /nfs/dbraw/zinc/05/68/26/564056826.db2.gz IYEQPWOUTKTKMN-UHFFFAOYSA-N 0 0 349.459 4.534 50 0 EJAARN CCN(C(=O)c1cccc(Cl)c1)c1nc2c(cccc2C)s1 ZINC000005938556 564057119 /nfs/dbraw/zinc/05/71/19/564057119.db2.gz FIYLVTKMSZZXIX-UHFFFAOYSA-N 0 0 330.840 4.925 50 0 EJAARN CSc1cccc(NC(=S)Nc2ccc(OC(F)F)cc2)c1 ZINC000005939844 564057164 /nfs/dbraw/zinc/05/71/64/564057164.db2.gz AMGHGGXCZKRFCM-UHFFFAOYSA-N 0 0 340.420 4.819 50 0 EJAARN CCn1c(SC/C=C\c2ccccc2)nnc1-c1cccs1 ZINC000006007272 564057567 /nfs/dbraw/zinc/05/75/67/564057567.db2.gz IZQCUSZHWGJNOQ-POHAHGRESA-N 0 0 327.478 4.832 50 0 EJAARN c1[nH]c2ccccc2c1-c1nnc(SCCCc2ccccc2)o1 ZINC000006028782 564057680 /nfs/dbraw/zinc/05/76/80/564057680.db2.gz UHIULMDECYMJRR-UHFFFAOYSA-N 0 0 335.432 4.943 50 0 EJAARN Cc1cccc(C)c1Nc1c(-c2ccc(F)cc2)nc2cnccn21 ZINC000003896480 564057863 /nfs/dbraw/zinc/05/78/63/564057863.db2.gz FDGFYISZWLVDTL-UHFFFAOYSA-N 0 0 332.382 4.896 50 0 EJAARN CCCCc1ccc(Nc2nc(C(=O)OCC)nc3ccccc32)cc1 ZINC000001913352 564058084 /nfs/dbraw/zinc/05/80/84/564058084.db2.gz PIVTZXKLIURXKN-UHFFFAOYSA-N 0 0 349.434 4.893 50 0 EJAARN C[C@@H](Nc1ccc(N2CCCCC2)cc1)c1nc(-c2ccccc2)no1 ZINC000012529538 564058219 /nfs/dbraw/zinc/05/82/19/564058219.db2.gz MWBWKXAMUUZWGZ-MRXNPFEDSA-N 0 0 348.450 4.900 50 0 EJAARN O=C(Nc1c(F)c(F)cc(F)c1F)c1cc(Cl)ccc1Cl ZINC000002101439 564058308 /nfs/dbraw/zinc/05/83/08/564058308.db2.gz IRBDDCBJLAOJKU-UHFFFAOYSA-N 0 0 338.087 4.802 50 0 EJAARN Cc1c2ccc3ccccc3c2oc1C(=O)N[C@@H](C)c1cccnc1 ZINC000012534026 564058390 /nfs/dbraw/zinc/05/83/90/564058390.db2.gz ZFMYYWAXXAFVJD-AWEZNQCLSA-N 0 0 330.387 4.780 50 0 EJAARN CCC[C@@H](C)N(C)C(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000043979392 564058926 /nfs/dbraw/zinc/05/89/26/564058926.db2.gz MJBUMBMBKALGTM-CYBMUJFWSA-N 0 0 345.468 4.653 50 0 EJAARN O=C(Cc1coc2cc3c(cc12)CCC3)NC1CCCCCCC1 ZINC000003302576 564059143 /nfs/dbraw/zinc/05/91/43/564059143.db2.gz TVQBDABJTMQKMM-UHFFFAOYSA-N 0 0 325.452 4.693 50 0 EJAARN Cc1c(Cl)cccc1NC(=O)[C@H](C)Nc1ccc2c(c1)CCC2 ZINC000012554941 564059298 /nfs/dbraw/zinc/05/92/98/564059298.db2.gz CJXYYTIXNUVPDW-ZDUSSCGKSA-N 0 0 328.843 4.576 50 0 EJAARN Cc1noc(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)n1 ZINC000012556552 564059343 /nfs/dbraw/zinc/05/93/43/564059343.db2.gz VEUXTTLBMBOODQ-UHFFFAOYSA-N 0 0 348.431 4.727 50 0 EJAARN O=C(Nc1cccnc1)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000012558023 564059383 /nfs/dbraw/zinc/05/93/83/564059383.db2.gz RTKSYMYXLZBBLN-UHFFFAOYSA-N 0 0 333.174 4.901 50 0 EJAARN Cc1ccc(C(=O)N(C)Cc2ccccc2N2CCCCC2)cc1C ZINC000012557736 564059394 /nfs/dbraw/zinc/05/93/94/564059394.db2.gz YPUWGMGQHVVYPI-UHFFFAOYSA-N 0 0 336.479 4.566 50 0 EJAARN Cc1cccc(Nc2cc(C(=O)N3CCCCC3)nc3ccccc32)c1 ZINC000044169555 564059613 /nfs/dbraw/zinc/05/96/13/564059613.db2.gz YGYPEGWUVBHGBT-UHFFFAOYSA-N 0 0 345.446 4.913 50 0 EJAARN Cc1nc2cc(NC(=O)c3ccccc3C)ccc2n1-c1ccccc1 ZINC000012567077 564059754 /nfs/dbraw/zinc/05/97/54/564059754.db2.gz MWXXMAJDYFYAOH-UHFFFAOYSA-N 0 0 341.414 4.895 50 0 EJAARN Cc1ccc(C)c(CSCC(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000012566973 564059756 /nfs/dbraw/zinc/05/97/56/564059756.db2.gz JOSYTUKGCVFZOQ-HXUWFJFHSA-N 0 0 339.504 4.730 50 0 EJAARN CCOc1ccc2nc(SCc3cn4ccccc4n3)sc2c1 ZINC000012580566 564060014 /nfs/dbraw/zinc/06/00/14/564060014.db2.gz NZROMDADGFTDAF-UHFFFAOYSA-N 0 0 341.461 4.635 50 0 EJAARN COc1cc(Cl)c(C)cc1NCc1nnc(-c2ccccc2)s1 ZINC000120995038 564060723 /nfs/dbraw/zinc/06/07/23/564060723.db2.gz ZBLRTPBGGKKFHK-UHFFFAOYSA-N 0 0 345.855 4.788 50 0 EJAARN O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccccc1-n1ccnc1 ZINC000004025626 564061101 /nfs/dbraw/zinc/06/11/01/564061101.db2.gz QMDWLMGSOLAXFX-UHFFFAOYSA-N 0 0 346.312 4.535 50 0 EJAARN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 ZINC000004026125 564061141 /nfs/dbraw/zinc/06/11/41/564061141.db2.gz UWBICEKKOYXZRG-HTCYUXSBSA-N 0 0 342.479 4.594 50 0 biogenic EJAARN FCCCSc1nnc(-c2cc3cc4ccccc4nc3s2)o1 ZINC000004054121 564061685 /nfs/dbraw/zinc/06/16/85/564061685.db2.gz GNRPHHQSMYWBNH-UHFFFAOYSA-N 0 0 345.424 4.951 50 0 EJAARN CC(C)[C@H](C(=O)Nc1nc(-c2cccs2)cs1)n1cccc1 ZINC000263586980 564061720 /nfs/dbraw/zinc/06/17/20/564061720.db2.gz AOYJTHLVYBAONY-CQSZACIVSA-N 0 0 331.466 4.509 50 0 EJAARN CCC(CC)C(=O)Nc1nnc(-c2ccc(Cl)cc2Cl)s1 ZINC000004072426 564061818 /nfs/dbraw/zinc/06/18/18/564061818.db2.gz YWFNEXNOVUZAHA-UHFFFAOYSA-N 0 0 344.267 4.887 50 0 EJAARN Cn1ccc2cc(NC(=O)C[C@@H](c3ccsc3)n3cccc3)ccc21 ZINC000263588385 564061898 /nfs/dbraw/zinc/06/18/98/564061898.db2.gz SSFIMFRAQHYXAB-IBGZPJMESA-N 0 0 349.459 4.660 50 0 EJAARN C[C@H](NC(=O)/C=C/c1cccc(F)c1)C12CC3CC(CC(C3)C1)C2 ZINC000005445881 564062478 /nfs/dbraw/zinc/06/24/78/564062478.db2.gz BBEUCQBPQDRFQW-PZWYLYFSSA-N 0 0 327.443 4.560 50 0 EJAARN Cc1[nH]c2ccccc2c1[C@@H](Nc1cc(C)ccn1)c1ccncc1 ZINC000001281089 564062933 /nfs/dbraw/zinc/06/29/33/564062933.db2.gz LSUCIMJIEGWCQS-NRFANRHFSA-N 0 0 328.419 4.776 50 0 EJAARN CCCn1nc(NC(=O)c2ccccc2)c2cc3ccc(C)cc3nc21 ZINC000001292398 564062990 /nfs/dbraw/zinc/06/29/90/564062990.db2.gz GIIJSYYGQGGHEM-UHFFFAOYSA-N 0 0 344.418 4.555 50 0 EJAARN CCN(Cc1cccs1)C(=O)c1cc2cc(Cl)ccc2nc1C ZINC000025760761 564063156 /nfs/dbraw/zinc/06/31/56/564063156.db2.gz YRJIKZODYQLANC-UHFFFAOYSA-N 0 0 344.867 4.920 50 0 EJAARN COc1ccc(-c2cc3ccc(OCC=C(C)C)cc3oc2=O)cc1 ZINC000001317614 564063157 /nfs/dbraw/zinc/06/31/57/564063157.db2.gz UYKBASUQNOPBAP-UHFFFAOYSA-N 0 0 336.387 4.814 50 0 biogenic EJAARN O=C(Nc1ccccc1)c1cc2cc(Br)ccc2s1 ZINC000001386248 564064238 /nfs/dbraw/zinc/06/42/38/564064238.db2.gz DUJHHTZZQBYBIV-UHFFFAOYSA-N 0 0 332.222 4.916 50 0 EJAARN Cc1cc2nccc([C@@H](C)Oc3ccc(-c4ccccc4)c(F)c3)n2n1 ZINC000001383637 564064069 /nfs/dbraw/zinc/06/40/69/564064069.db2.gz KMULIFTYIYENHD-OAHLLOKOSA-N 0 0 347.393 4.984 50 0 EJAARN c1ccc(Cc2nnc(Sc3ccccn3)c3ccccc23)cc1 ZINC000001384838 564064139 /nfs/dbraw/zinc/06/41/39/564064139.db2.gz SNACGBLYYQCGME-UHFFFAOYSA-N 0 0 329.428 4.767 50 0 EJAARN O=C(Oc1cc(-c2ccccc2)no1)c1cccc(C(F)(F)F)c1 ZINC000001386460 564064239 /nfs/dbraw/zinc/06/42/39/564064239.db2.gz UQOUSUOVEYCWKD-UHFFFAOYSA-N 0 0 333.265 4.580 50 0 EJAARN Fc1ccc(Oc2nc(C(F)(F)F)nc3ccccc32)c(F)c1 ZINC000001387552 564064284 /nfs/dbraw/zinc/06/42/84/564064284.db2.gz OKDDCCIOOGRKCW-UHFFFAOYSA-N 0 0 326.224 4.719 50 0 EJAARN Fc1ccc(Cn2ccc(-c3cnc(-c4ccccc4)s3)n2)cc1 ZINC000001389016 564064323 /nfs/dbraw/zinc/06/43/23/564064323.db2.gz ZORHVSCAWODFPX-UHFFFAOYSA-N 0 0 335.407 4.861 50 0 EJAARN Cn1nc(-c2ccccc2)c(C=O)c1Sc1ccccc1Cl ZINC000001388754 564064333 /nfs/dbraw/zinc/06/43/33/564064333.db2.gz PRDGDACLIUJNAB-UHFFFAOYSA-N 0 0 328.824 4.704 50 0 EJAARN Cc1nnc(-c2cccc(N[C@@H]3CCC[C@@H](C(F)(F)F)C3)c2)o1 ZINC000129534143 564064413 /nfs/dbraw/zinc/06/44/13/564064413.db2.gz NBIQNOUVORDOKF-TZMCWYRMSA-N 0 0 325.334 4.578 50 0 EJAARN COCc1nc2scc(-c3ccccc3)c2c(NCC2CCC2)n1 ZINC000083914858 564064576 /nfs/dbraw/zinc/06/45/76/564064576.db2.gz DSGUVMKTBYBTEO-UHFFFAOYSA-N 0 0 339.464 4.717 50 0 EJAARN Clc1ccccc1CSc1nc(Cl)c2c(n1)CCCC2 ZINC000001393058 564064600 /nfs/dbraw/zinc/06/46/00/564064600.db2.gz YSWLDACZZBLBRD-UHFFFAOYSA-N 0 0 325.264 4.955 50 0 EJAARN Clc1ccc(Cn2ccc(-c3ccc4c(c3)OCO4)n2)cc1Cl ZINC000001394880 564064669 /nfs/dbraw/zinc/06/46/69/564064669.db2.gz UIVOXDBIIMJWAW-UHFFFAOYSA-N 0 0 347.201 4.634 50 0 EJAARN COC(=O)[C@@H](CC(=O)c1ccc(Cl)cc1)c1ccc(C(C)C)cc1 ZINC000001397644 564064772 /nfs/dbraw/zinc/06/47/72/564064772.db2.gz RGPWQHRBJXQEEG-SFHVURJKSA-N 0 0 344.838 4.993 50 0 EJAARN COC(=O)Nc1sccc1OCc1cccc(C(F)(F)F)c1 ZINC000001396552 564064895 /nfs/dbraw/zinc/06/48/95/564064895.db2.gz LOZGNLPQNJMONY-UHFFFAOYSA-N 0 0 331.315 4.524 50 0 EJAARN COc1ccc(OC)c(NC(=O)c2ccc(-c3cccs3)cc2)c1 ZINC000001397025 564064924 /nfs/dbraw/zinc/06/49/24/564064924.db2.gz SKPLJKVGLFKXEK-UHFFFAOYSA-N 0 0 339.416 4.685 50 0 EJAARN CCCc1ccc(N[C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)cc1 ZINC000012739794 564064968 /nfs/dbraw/zinc/06/49/68/564064968.db2.gz YXLYVOUETGZJMB-GFCCVEGCSA-N 0 0 341.480 4.727 50 0 EJAARN Cc1c(-c2csc(-c3ccc(Cl)cc3)n2)sc2ncnn12 ZINC000001401911 564065026 /nfs/dbraw/zinc/06/50/26/564065026.db2.gz ISAGDGHQIZTYEG-UHFFFAOYSA-N 0 0 332.841 4.543 50 0 EJAARN O=C(NCc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000001402135 564065077 /nfs/dbraw/zinc/06/50/77/564065077.db2.gz PBTYMRHLMVJQBD-UHFFFAOYSA-N 0 0 340.426 4.620 50 0 EJAARN CC(C)(C)c1ccc(CN2CCSc3sccc3C2=O)cc1 ZINC000001403632 564065093 /nfs/dbraw/zinc/06/50/93/564065093.db2.gz HQEDUFWVXBEZIB-UHFFFAOYSA-N 0 0 331.506 4.794 50 0 EJAARN COc1cnc(-c2ccccc2)nc1Sc1cccc(Cl)c1 ZINC000001406862 564065252 /nfs/dbraw/zinc/06/52/52/564065252.db2.gz QYNUXCAVZWVSSM-UHFFFAOYSA-N 0 0 328.824 4.957 50 0 EJAARN Cc1nc(-c2ccccc2)oc1C(=O)Nc1cc(Cl)ccc1F ZINC000084061837 564066020 /nfs/dbraw/zinc/06/60/20/564066020.db2.gz YVLHUFRXLHXXMW-UHFFFAOYSA-N 0 0 330.746 4.695 50 0 EJAARN O=C1C(=Nc2ccccc2F)C2CCCC=C2N1c1ccccc1F ZINC000001424269 564066712 /nfs/dbraw/zinc/06/67/12/564066712.db2.gz UFULLZLENPNZKP-UHFFFAOYSA-N 0 0 338.357 4.745 50 0 EJAARN Cc1cccc(Nc2nc(N3CCc4ccccc43)ncc2F)c1C ZINC000001430712 564066900 /nfs/dbraw/zinc/06/69/00/564066900.db2.gz WETZUAIKXUEFNA-UHFFFAOYSA-N 0 0 334.398 4.670 50 0 EJAARN Cc1nc(-c2c[nH]c(C(=O)NCC3CCCCCCC3)c2)cs1 ZINC000084274929 564067646 /nfs/dbraw/zinc/06/76/46/564067646.db2.gz WHWPMIDTQISKNC-UHFFFAOYSA-N 0 0 331.485 4.537 50 0 EJAARN O=C(Cc1c(F)cccc1Cl)Nc1ccccc1OC1CCCC1 ZINC000084506040 564068369 /nfs/dbraw/zinc/06/83/69/564068369.db2.gz HUHNWRLFEDWGNE-UHFFFAOYSA-N 0 0 347.817 4.982 50 0 EJAARN C[C@@H](NC(=O)c1csc(-c2cccs2)n1)c1ccc(F)cc1 ZINC000012770470 564068864 /nfs/dbraw/zinc/06/88/64/564068864.db2.gz UKLMRQMAPFBHMS-SNVBAGLBSA-N 0 0 332.425 4.502 50 0 EJAARN O=C(Nc1nc2ccccc2s1)N1CCC[C@H]1C1CCCCC1 ZINC000084603676 564069010 /nfs/dbraw/zinc/06/90/10/564069010.db2.gz CLKBQSFOEFWYKR-HNNXBMFYSA-N 0 0 329.469 4.873 50 0 EJAARN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccccc3)c12 ZINC000012772573 564069067 /nfs/dbraw/zinc/06/90/67/564069067.db2.gz ZILQKPDYLHZVBV-UHFFFAOYSA-N 0 0 347.349 4.590 50 0 EJAARN Cc1ccc(NC(=O)c2csc(COc3ccc(C)cc3)n2)cc1 ZINC000012774298 564069171 /nfs/dbraw/zinc/06/91/71/564069171.db2.gz XRQJNRCAYOBFFQ-UHFFFAOYSA-N 0 0 338.432 4.591 50 0 EJAARN C[C@H](NC(=O)N(C)[C@H]1CCc2ccccc21)c1ccc2c(c1)CCCC2 ZINC000084651755 564069394 /nfs/dbraw/zinc/06/93/94/564069394.db2.gz LTZHVWHWMAGPDX-AOMKIAJQSA-N 0 0 348.490 4.955 50 0 EJAARN C[C@@H](NC(=S)N1CCCCC[C@H]1c1ccncc1)c1ccccc1 ZINC000084656614 564069417 /nfs/dbraw/zinc/06/94/17/564069417.db2.gz CZZPYZOVVLHTPW-APWZRJJASA-N 0 0 339.508 4.634 50 0 EJAARN C[C@@H](Nc1nccc(C(F)(F)F)n1)c1ccccc1C(F)(F)F ZINC000084660548 564069455 /nfs/dbraw/zinc/06/94/55/564069455.db2.gz HUTWZAUEDLMZQZ-MRVPVSSYSA-N 0 0 335.251 4.687 50 0 EJAARN C[C@H]1C[C@H]1c1ccc(CN(C)Cc2coc(-c3cccc(F)c3)n2)o1 ZINC000084688950 564069626 /nfs/dbraw/zinc/06/96/26/564069626.db2.gz LCNSCOUFSKTQAA-SCLBCKFNSA-N 0 0 340.398 4.829 50 0 EJAARN C[C@H]1C[C@@H]1c1ccc(CN(C)Cc2coc(-c3cccc(F)c3)n2)o1 ZINC000084688945 564069664 /nfs/dbraw/zinc/06/96/64/564069664.db2.gz LCNSCOUFSKTQAA-UGSOOPFHSA-N 0 0 340.398 4.829 50 0 EJAARN CCC[C@H](C)C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000084740079 564069963 /nfs/dbraw/zinc/06/99/63/564069963.db2.gz YSKNAWICIPWTSH-TUKZGULFSA-N 0 0 333.475 4.836 50 0 EJAARN O=C(c1ccc(Cl)cc1)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000012786971 564070339 /nfs/dbraw/zinc/07/03/39/564070339.db2.gz OAYIYEKLPPBBRI-UHFFFAOYSA-N 0 0 343.854 4.531 50 0 EJAARN FC(F)(F)c1cc(Cl)ccc1NC(=S)NCc1ccccc1 ZINC000002141565 564076048 /nfs/dbraw/zinc/07/60/48/564076048.db2.gz DHOVKNXEOGJVQR-UHFFFAOYSA-N 0 0 344.789 4.845 50 0 EJAARN CC[C@@H](C)[C@H](C(=O)Nc1cc(OC)c(OC)cc1C)c1ccccc1 ZINC000012808895 564072590 /nfs/dbraw/zinc/07/25/90/564072590.db2.gz QMHROLAQNAHCLC-VLIAUNLRSA-N 0 0 341.451 4.781 50 0 EJAARN CSc1cccc(NC(=O)Cc2nc(-c3ccccc3)oc2C)c1 ZINC000012812437 564072930 /nfs/dbraw/zinc/07/29/30/564072930.db2.gz MTNZTFTVZYOAOY-UHFFFAOYSA-N 0 0 338.432 4.553 50 0 EJAARN C[C@H]1CCC[C@H](C)N1C(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000001460361 564073099 /nfs/dbraw/zinc/07/30/99/564073099.db2.gz RPXVZWKOTCPEBI-HOTGVXAUSA-N 0 0 345.446 4.700 50 0 EJAARN CCCCOc1cccc(C(=O)Nc2nc3ccc(F)cc3s2)c1 ZINC000006072742 564073490 /nfs/dbraw/zinc/07/34/90/564073490.db2.gz INKFERFCADXRTB-UHFFFAOYSA-N 0 0 344.411 4.867 50 0 EJAARN Cc1nc(C(=O)N[C@H](C)c2ccccc2)cc2c3ccccc3[nH]c21 ZINC000006075856 564073553 /nfs/dbraw/zinc/07/35/53/564073553.db2.gz CFUQAFSVAQDAPM-CYBMUJFWSA-N 0 0 329.403 4.516 50 0 biogenic EJAARN Cc1nc(C(=O)NCc2cccc(Cl)c2)cc2c3ccccc3[nH]c21 ZINC000006075853 564073558 /nfs/dbraw/zinc/07/35/58/564073558.db2.gz BJMZIQSZZMSHCZ-UHFFFAOYSA-N 0 0 349.821 4.608 50 0 biogenic EJAARN CCc1c(-c2csc(Cc3csc(C)n3)n2)[nH]c(C)c1C(C)=O ZINC000063629705 564073611 /nfs/dbraw/zinc/07/36/11/564073611.db2.gz HHDMZYBLINKOFA-UHFFFAOYSA-N 0 0 345.493 4.567 50 0 EJAARN Cc1oc(-c2ccccc2)nc1CNC(=O)Nc1cccc(C)c1C ZINC000015774734 564073825 /nfs/dbraw/zinc/07/38/25/564073825.db2.gz UDSVPXGHJXBION-UHFFFAOYSA-N 0 0 335.407 4.589 50 0 EJAARN CC(C)c1ccc(NC(=O)c2cc(OCc3ccccc3)no2)cc1 ZINC000085558514 564074024 /nfs/dbraw/zinc/07/40/24/564074024.db2.gz CSZVUKSSCMKNRM-UHFFFAOYSA-N 0 0 336.391 4.629 50 0 EJAARN COc1ccc(-c2nc3ccccc3c(NCc3ccc(C)o3)n2)cc1 ZINC000015781560 564074141 /nfs/dbraw/zinc/07/41/41/564074141.db2.gz AFANXEHVIKTQCX-UHFFFAOYSA-N 0 0 345.402 4.819 50 0 EJAARN CCOc1ccc(NCc2nnc(-c3ccccc3)s2)c(C)c1 ZINC000121182720 564074221 /nfs/dbraw/zinc/07/42/21/564074221.db2.gz CUHSSLOHMCURFZ-UHFFFAOYSA-N 0 0 325.437 4.524 50 0 EJAARN COc1ccccc1C(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 ZINC000001504835 564074714 /nfs/dbraw/zinc/07/47/14/564074714.db2.gz BDUJFHLOCWHZQZ-UHFFFAOYSA-N 0 0 338.432 4.688 50 0 EJAARN O=C(Cc1ccccc1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000001512001 564075065 /nfs/dbraw/zinc/07/50/65/564075065.db2.gz RFHKUTQYJADXTM-UHFFFAOYSA-N 0 0 328.824 4.645 50 0 EJAARN CSc1ccc(Cl)cc1NCc1nnc(Cc2ccccc2)o1 ZINC000086203806 564075309 /nfs/dbraw/zinc/07/53/09/564075309.db2.gz NIIIMZXRFLOBFS-UHFFFAOYSA-N 0 0 345.855 4.648 50 0 EJAARN Cc1cc(C(=O)[C@@H](C)Oc2ccccc2)cc(C)c1Br ZINC000000397786 564075912 /nfs/dbraw/zinc/07/59/12/564075912.db2.gz RHINRKDFDSLRAJ-CYBMUJFWSA-N 0 0 333.225 4.716 50 0 EJAARN COc1ccc(OC(=O)Nc2cc(Cl)ccc2C)c(Cl)c1 ZINC000000397724 564075915 /nfs/dbraw/zinc/07/59/15/564075915.db2.gz OITTXYATEICMDT-UHFFFAOYSA-N 0 0 326.179 4.921 50 0 EJAARN Cc1cc(C(=O)[C@H](C)Oc2ccccc2)cc(C)c1Br ZINC000000397787 564075923 /nfs/dbraw/zinc/07/59/23/564075923.db2.gz RHINRKDFDSLRAJ-ZDUSSCGKSA-N 0 0 333.225 4.716 50 0 EJAARN Cc1ccccc1NC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000000397770 564075928 /nfs/dbraw/zinc/07/59/28/564075928.db2.gz XDOADYGUUGKYHC-UHFFFAOYSA-N 0 0 330.387 4.870 50 0 EJAARN CCOC(=O)c1ccc(NC(=O)Oc2ccccc2C(C)(C)C)cc1 ZINC000000399752 564075944 /nfs/dbraw/zinc/07/59/44/564075944.db2.gz YFHMHRSGHXSDJM-UHFFFAOYSA-N 0 0 341.407 4.772 50 0 EJAARN CCOC(=O)c1ccc(NC(=O)Oc2cc(C)c(Cl)c(C)c2)cc1 ZINC000000398475 564075950 /nfs/dbraw/zinc/07/59/50/564075950.db2.gz TXQADPNOSOFIOP-UHFFFAOYSA-N 0 0 347.798 4.744 50 0 EJAARN Cc1ccc(NC(=O)OCCOc2ccc(Cl)cc2Cl)cc1 ZINC000002171786 564076068 /nfs/dbraw/zinc/07/60/68/564076068.db2.gz WPNXQOQGNVBFIS-UHFFFAOYSA-N 0 0 340.206 4.929 50 0 EJAARN CC(C)[C@H](CSc1ccccc1)CS(=O)(=O)c1ccccc1 ZINC000043763495 564076238 /nfs/dbraw/zinc/07/62/38/564076238.db2.gz YMXUZQWDGRBBFP-MRXNPFEDSA-N 0 0 334.506 4.525 50 0 EJAARN COc1ccc(CO[C@H]2C(=O)CCCC=C3CC[C@H]2C3(C)C)cc1 ZINC000104308459 564076359 /nfs/dbraw/zinc/07/63/59/564076359.db2.gz FYEFUXJOEIFKLT-YAAMAISJSA-N 0 0 328.452 4.696 50 0 EJAARN CCc1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 ZINC000012871094 564076379 /nfs/dbraw/zinc/07/63/79/564076379.db2.gz QAOTUVSMQWEWBF-UHFFFAOYSA-N 0 0 348.450 4.704 50 0 EJAARN Cc1ccc(Cl)cc1NC(=O)CCc1ncc(-c2ccccc2)o1 ZINC000012871109 564076387 /nfs/dbraw/zinc/07/63/87/564076387.db2.gz YRSSXZHGZFKBJG-UHFFFAOYSA-N 0 0 340.810 4.875 50 0 EJAARN S=C1O[C@]2(C[C@@H]3CC[C@@H]4CC[C@@H]2[C@H]43)[C@@]2(C[C@@H]3CC[C@@H]4CC[C@H]2[C@H]43)O1 ZINC000245482343 564076438 /nfs/dbraw/zinc/07/64/38/564076438.db2.gz LVXICQLAEIUOJT-JYYXSMFXSA-N 0 0 344.520 4.708 50 0 EJAARN Cc1nc(-c2cccs2)c(CC(=O)NC2CCCCCC2)s1 ZINC000015842197 564076615 /nfs/dbraw/zinc/07/66/15/564076615.db2.gz BNIVBCKKUWUYGV-UHFFFAOYSA-N 0 0 334.510 4.562 50 0 EJAARN CCCCc1ccc(C(=O)Nc2cc(OC)c(OC)cc2C)cc1 ZINC000015857330 564076765 /nfs/dbraw/zinc/07/67/65/564076765.db2.gz YMOATDHUPJQBSC-UHFFFAOYSA-N 0 0 327.424 4.607 50 0 EJAARN CCC[N@@H+](Cc1ccc(C)cc1)Cc1cc(=O)c2c(C)ccc(C)c2[nH]1 ZINC000015862306 564076995 /nfs/dbraw/zinc/07/69/95/564076995.db2.gz KJHZNOZLLNTQQG-UHFFFAOYSA-N 0 0 348.490 4.866 50 0 EJAARN Cc1ccc2[nH]c(SCC(=O)C34CC5CC(CC(C5)C3)C4)nc2c1 ZINC000006160984 564077058 /nfs/dbraw/zinc/07/70/58/564077058.db2.gz NMFIFHLTOXSOQP-UHFFFAOYSA-N 0 0 340.492 4.749 50 0 EJAARN COc1cccc(-n2cnnc2S[C@H](C)c2ccccc2Cl)c1 ZINC000006163601 564077090 /nfs/dbraw/zinc/07/70/90/564077090.db2.gz USKCPVLTYQUGHZ-GFCCVEGCSA-N 0 0 345.855 4.783 50 0 EJAARN CCSc1nnc(NC(=O)c2ccccc2-c2ccccc2)s1 ZINC000006168117 564077109 /nfs/dbraw/zinc/07/71/09/564077109.db2.gz WOJWTSBSXUGVOZ-UHFFFAOYSA-N 0 0 341.461 4.569 50 0 EJAARN Cc1ccc([C@@H]2C[C@H](c3ccc(C(C)C)cc3)n3nnnc3N2)cc1C ZINC000015866346 564077166 /nfs/dbraw/zinc/07/71/66/564077166.db2.gz FAZOMSOHXYUBKN-VQTJNVASSA-N 0 0 347.466 4.560 50 0 EJAARN c1ccc(Oc2ccccc2CSc2nnc3ccccn32)cc1 ZINC000006170972 564077231 /nfs/dbraw/zinc/07/72/31/564077231.db2.gz ZSZINMGLELQAGV-UHFFFAOYSA-N 0 0 333.416 4.814 50 0 EJAARN CC(C)c1ccc(NC(=O)COc2cccc3c2OC(C)(C)C3)cc1 ZINC000015881074 564077366 /nfs/dbraw/zinc/07/73/66/564077366.db2.gz NNCCRZZHXSNBCR-UHFFFAOYSA-N 0 0 339.435 4.541 50 0 EJAARN CC(C)c1noc([C@H](C)N2CC=C(c3c[nH]c4ccccc43)CC2)n1 ZINC000012900249 564077684 /nfs/dbraw/zinc/07/76/84/564077684.db2.gz VSRRRSCSTJPIJN-AWEZNQCLSA-N 0 0 336.439 4.525 50 0 EJAARN COc1ccc([C@@H](NC(=O)CSc2ccccc2C)C(C)C)cc1 ZINC000012904341 564077782 /nfs/dbraw/zinc/07/77/82/564077782.db2.gz FCVDWFBYSIUYRL-FQEVSTJZSA-N 0 0 343.492 4.609 50 0 EJAARN CCCc1ccc(NC(=O)c2sc(-c3ccccn3)nc2C)cc1 ZINC000012909797 564077874 /nfs/dbraw/zinc/07/78/74/564077874.db2.gz JLNGSFIRHFWMPM-UHFFFAOYSA-N 0 0 337.448 4.718 50 0 EJAARN Cc1cc2oc(=O)cc(CSc3cnc4ccccc4n3)c2cc1C ZINC000012908260 564077906 /nfs/dbraw/zinc/07/79/06/564077906.db2.gz PNFNZSZMAWAUAE-UHFFFAOYSA-N 0 0 348.427 4.645 50 0 EJAARN Cc1cccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1 ZINC000012912883 564077974 /nfs/dbraw/zinc/07/79/74/564077974.db2.gz ODSKVVZEQMAGLA-MRXNPFEDSA-N 0 0 336.460 4.625 50 0 EJAARN C[C@@H](NC(=O)CCSCc1cccc(Cl)c1)c1ccccc1 ZINC000012913338 564077989 /nfs/dbraw/zinc/07/79/89/564077989.db2.gz VRKINVRTRRJMNC-CQSZACIVSA-N 0 0 333.884 4.841 50 0 EJAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(F)cc1Cl ZINC000012921524 564078347 /nfs/dbraw/zinc/07/83/47/564078347.db2.gz WYFJRWDVOCVQTE-UHFFFAOYSA-N 0 0 347.802 4.558 50 0 EJAARN CC(C)c1noc([C@H](C)Sc2nc(C3CC3)nc3ccccc32)n1 ZINC000012922492 564078428 /nfs/dbraw/zinc/07/84/28/564078428.db2.gz AHYXPAVAJHWUFN-NSHDSACASA-N 0 0 340.452 4.867 50 0 EJAARN Cc1nc2cc(F)ccc2cc1C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000012923842 564078459 /nfs/dbraw/zinc/07/84/59/564078459.db2.gz UPQKMHSHGXKKNQ-CYBMUJFWSA-N 0 0 348.377 4.920 50 0 EJAARN CSc1ccccc1C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000012932305 564078837 /nfs/dbraw/zinc/07/88/37/564078837.db2.gz ADSIHLAEBFJADT-UHFFFAOYSA-N 0 0 326.446 4.784 50 0 EJAARN O=C(Cc1ccc(F)cc1)NCCc1ccc(-c2ccsc2)s1 ZINC000575413983 564078882 /nfs/dbraw/zinc/07/88/82/564078882.db2.gz BYZYXOBJKVBAFC-UHFFFAOYSA-N 0 0 345.464 4.517 50 0 EJAARN CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccccn3)n2)cc1 ZINC000016005583 564079066 /nfs/dbraw/zinc/07/90/66/564079066.db2.gz YSFDDAYMUWOHIQ-UHFFFAOYSA-N 0 0 337.448 4.755 50 0 EJAARN C[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000012947545 564079752 /nfs/dbraw/zinc/07/97/52/564079752.db2.gz AAVRHBDEERLXEG-KZULUSFZSA-N 0 0 347.817 4.514 50 0 EJAARN C[C@H](Oc1ccc(F)cc1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000012947539 564079753 /nfs/dbraw/zinc/07/97/53/564079753.db2.gz AAVRHBDEERLXEG-SGTLLEGYSA-N 0 0 347.817 4.514 50 0 EJAARN Cc1nc2cc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3C)ccc2o1 ZINC000012948814 564079810 /nfs/dbraw/zinc/07/98/10/564079810.db2.gz JPFSQXAXYNCUCK-NSHDSACASA-N 0 0 344.798 4.504 50 0 EJAARN CC1(C)CCC[C@H]1N(Cc1nc(C2CC2)no1)Cc1ccccc1 ZINC000075105239 564080150 /nfs/dbraw/zinc/08/01/50/564080150.db2.gz QLNNWYYCLZOKMV-QGZVFWFLSA-N 0 0 325.456 4.528 50 0 EJAARN C[C@@H](N(C)C(=O)/C=C/c1csc(-c2ccc(F)cc2)n1)C1(C)CC1 ZINC000075108216 564080204 /nfs/dbraw/zinc/08/02/04/564080204.db2.gz NLGKYOCJXLETAL-MMQHEFTJSA-N 0 0 344.455 4.609 50 0 EJAARN CCc1nc(C)c(C(=O)Nc2ccc(CCC(F)(F)F)cc2)s1 ZINC000075108300 564080222 /nfs/dbraw/zinc/08/02/22/564080222.db2.gz ROJVWZQXSWRWJR-UHFFFAOYSA-N 0 0 342.386 4.761 50 0 EJAARN CCOc1ccc(NC(=O)N2CCC(c3cccs3)CC2)cc1 ZINC000075157085 564080890 /nfs/dbraw/zinc/08/08/90/564080890.db2.gz PBZFOTLIJSRYAK-UHFFFAOYSA-N 0 0 330.453 4.558 50 0 EJAARN COc1ccc2oc(/C=C(/C)N(C)C)c(C(=O)c3ccccc3)c2c1 ZINC000075260911 564081222 /nfs/dbraw/zinc/08/12/22/564081222.db2.gz VQPWGJOYFYMZOU-OWBHPGMISA-N 0 0 335.403 4.595 50 0 EJAARN Cc1ccccc1C1(c2ccccc2C)C[C@H]1C(=O)NCc1ccco1 ZINC000075260766 564081314 /nfs/dbraw/zinc/08/13/14/564081314.db2.gz QBLNZPOYLZBZJP-NRFANRHFSA-N 0 0 345.442 4.519 50 0 EJAARN CCSc1ncnc2c1sc1nc(-c3ccccc3)nc(C)c12 ZINC000075279447 564081441 /nfs/dbraw/zinc/08/14/41/564081441.db2.gz WJNQWXOPDMWNJK-UHFFFAOYSA-N 0 0 338.461 4.722 50 0 EJAARN CCc1ccc(CNC(=O)c2cc3ccc4ccc(C)nc4c3[nH]2)cc1 ZINC000075346756 564081954 /nfs/dbraw/zinc/08/19/54/564081954.db2.gz ICTCLPJCHYWVFW-UHFFFAOYSA-N 0 0 343.430 4.517 50 0 EJAARN O=c1c(O)c(-c2ccc(OCc3ccccc3)cc2)oc2ccccc21 ZINC000001120265 564082056 /nfs/dbraw/zinc/08/20/56/564082056.db2.gz HYCPSIKUWOEHAR-UHFFFAOYSA-N 0 0 344.366 4.745 50 0 biogenic EJAARN O=C(NCc1ccc(-c2cccs2)o1)c1ccc2ncsc2c1 ZINC000575609349 564082524 /nfs/dbraw/zinc/08/25/24/564082524.db2.gz TWMNQYOAONVSTH-UHFFFAOYSA-N 0 0 340.429 4.548 50 0 EJAARN O=C(NCc1ccc(-c2ccsc2)o1)c1nc2ccccc2s1 ZINC000575611049 564082623 /nfs/dbraw/zinc/08/26/23/564082623.db2.gz UAICPTDAXLARQV-UHFFFAOYSA-N 0 0 340.429 4.548 50 0 EJAARN O=C(c1ccc(Cl)cc1)N1CCC(CCc2ccccc2)CC1 ZINC000000401569 564082625 /nfs/dbraw/zinc/08/26/25/564082625.db2.gz QGTWQBRCBCUHAU-UHFFFAOYSA-N 0 0 327.855 4.825 50 0 EJAARN CC(=O)[C@@H](Sc1nc(C)cc(-c2ccccc2)n1)c1ccccc1 ZINC000006203212 564082691 /nfs/dbraw/zinc/08/26/91/564082691.db2.gz QMKFKEPRPGTJGR-LJQANCHMSA-N 0 0 334.444 4.874 50 0 EJAARN FC(F)(F)c1ccc2c(cnn2[C@H]2CCCCO2)c1Br ZINC000575631080 564083088 /nfs/dbraw/zinc/08/30/88/564083088.db2.gz RYXRJVPOPIYYCM-LLVKDONJSA-N 0 0 349.150 4.517 50 0 EJAARN Cc1ccc2nc(NC(=O)c3ccccc3C(F)(F)F)sc2c1 ZINC000006232187 564083128 /nfs/dbraw/zinc/08/31/28/564083128.db2.gz KJRFSCXFILPAQG-UHFFFAOYSA-N 0 0 336.338 4.876 50 0 EJAARN O=C(c1cnn(-c2ccccc2)c1-c1ccccc1)N1CCCCCC1 ZINC000006242346 564083184 /nfs/dbraw/zinc/08/31/84/564083184.db2.gz LQKUFLUKAZECPJ-UHFFFAOYSA-N 0 0 345.446 4.556 50 0 EJAARN O=C1OC(c2ccc(Cl)cc2)=NC1=CNc1cccc2ccccc21 ZINC000006237972 564083205 /nfs/dbraw/zinc/08/32/05/564083205.db2.gz JLSKBGYTTAINJM-PDGQHHTCSA-N 0 0 348.789 4.750 50 0 EJAARN CCC[C@H](C(=O)Nc1cc(OC)c(OC)cc1C)c1ccccc1 ZINC000006258883 564083309 /nfs/dbraw/zinc/08/33/09/564083309.db2.gz YNCZQLJWNGJNTR-INIZCTEOSA-N 0 0 327.424 4.535 50 0 EJAARN Cc1ccc(C2=NC(=CNc3ccc(Cl)cc3Cl)C(=O)O2)cc1 ZINC000006300999 564083753 /nfs/dbraw/zinc/08/37/53/564083753.db2.gz UCKWWHCOPMIPKW-DHDCSXOGSA-N 0 0 347.201 4.559 50 0 EJAARN COc1cc(Cl)c(C)cc1NC(=O)c1ccc(OC(C)C)cc1 ZINC000006307191 564083785 /nfs/dbraw/zinc/08/37/85/564083785.db2.gz PDHYEEBXWUZLAH-UHFFFAOYSA-N 0 0 333.815 4.697 50 0 EJAARN CC(=O)N1c2cc(C)cc(C)c2[C@@H]2OCC[C@H]2[C@@H]1c1cccs1 ZINC000222417509 564084293 /nfs/dbraw/zinc/08/42/93/564084293.db2.gz NOCGPOGIVZUDDQ-GDIGMMSISA-N 0 0 327.449 4.550 50 0 EJAARN CC(C)(C)NC(=O)Nc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000075456116 564084883 /nfs/dbraw/zinc/08/48/83/564084883.db2.gz ZVGZHRVPHPBUME-UHFFFAOYSA-N 0 0 325.387 4.894 50 0 EJAARN CCOc1ccccc1C(=O)N(Cc1ccoc1)Cc1cccs1 ZINC000090612125 564085057 /nfs/dbraw/zinc/08/50/57/564085057.db2.gz PYYJEZNIQXDHQB-UHFFFAOYSA-N 0 0 341.432 4.582 50 0 EJAARN O=C(Nc1ccc(OC(F)F)cc1)c1cc2c(s1)CCCCC2 ZINC000006329510 564085158 /nfs/dbraw/zinc/08/51/58/564085158.db2.gz OZANFICIDYTYQY-UHFFFAOYSA-N 0 0 337.391 4.871 50 0 EJAARN CCc1ccc(N2C(=S)N=NC2Cc2c(F)cccc2Cl)cc1 ZINC000006395178 564085520 /nfs/dbraw/zinc/08/55/20/564085520.db2.gz BDILOYXZNNXLLP-UHFFFAOYSA-N 0 0 347.846 4.502 50 0 EJAARN COc1cc(C(=O)Nc2cccc(C)c2)ccc1OCc1ccccc1 ZINC000006402732 564085589 /nfs/dbraw/zinc/08/55/89/564085589.db2.gz MDQILTWTEZRTOC-UHFFFAOYSA-N 0 0 347.414 4.835 50 0 EJAARN CCCc1nc2cc(CCC(=O)Nc3cc(F)ccc3C)ccc2[nH]1 ZINC000075478707 564086585 /nfs/dbraw/zinc/08/65/85/564086585.db2.gz IOVQATRNKRTLGT-UHFFFAOYSA-N 0 0 339.414 4.534 50 0 EJAARN Cc1ccc(NC(=O)CCc2ccc3[nH]c(C(C)C)nc3c2)c(F)c1 ZINC000075478755 564086609 /nfs/dbraw/zinc/08/66/09/564086609.db2.gz VIMCIJBCAKGMDC-UHFFFAOYSA-N 0 0 339.414 4.705 50 0 EJAARN COc1cccc(NC(=O)N(Cc2ccoc2)C2CCCCC2)c1 ZINC000075489253 564087064 /nfs/dbraw/zinc/08/70/64/564087064.db2.gz XVNSODWCHCPENC-UHFFFAOYSA-N 0 0 328.412 4.655 50 0 EJAARN COc1cccc(NC(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)c1 ZINC000013048496 564087450 /nfs/dbraw/zinc/08/74/50/564087450.db2.gz IXJWLHHFOODMFP-NSHDSACASA-N 0 0 338.329 4.597 50 0 EJAARN COc1ccc([C@@H]2CCCCCN2C(=O)/C=C/c2cccs2)cc1 ZINC000016470973 564087653 /nfs/dbraw/zinc/08/76/53/564087653.db2.gz PVKRYTOMNVADOB-HYSAVQALSA-N 0 0 341.476 4.914 50 0 EJAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccco2)cc1 ZINC000238936990 564087986 /nfs/dbraw/zinc/08/79/86/564087986.db2.gz SSDAMYPWBSRGJN-RXVVDRJESA-N 0 0 346.386 4.531 50 0 EJAARN Cc1cc(C)cc([C@H]2C[C@](C)(O)C[C@@H](c3cc(C)cc(C)c3)S2)c1 ZINC000239415455 564088124 /nfs/dbraw/zinc/08/81/24/564088124.db2.gz UMRMNCQYUXAYLN-ZBYYUNFXSA-N 0 0 340.532 5.981 50 0 EJAARN C[C@@H](c1nnc(-c2cccs2)o1)N1CCC[C@H]1c1cccs1 ZINC000241338544 564088330 /nfs/dbraw/zinc/08/83/30/564088330.db2.gz MBNJTGXWKFACMX-RYUDHWBXSA-N 0 0 331.466 4.758 50 0 EJAARN CC(C)c1ocnc1C[S@@](=O)Cc1cc(Cl)ccc1Cl ZINC000092251964 564088899 /nfs/dbraw/zinc/08/88/99/564088899.db2.gz XPAWEVUILFJGRX-HXUWFJFHSA-N 0 0 332.252 4.554 50 0 EJAARN Cc1ccc(N=c2oc3ccccc3nc2Nc2ccc(C)cc2)cc1 ZINC000252672377 564089435 /nfs/dbraw/zinc/08/94/35/564089435.db2.gz QBBQXGWTAWEVJG-UHFFFAOYSA-N 0 0 341.414 4.843 50 0 EJAARN CCC(=O)O[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253497470 564089486 /nfs/dbraw/zinc/08/94/86/564089486.db2.gz XTAARPJDFFXHGH-BIMYGMCESA-N 0 0 346.511 4.920 50 0 biogenic EJAARN CC(=O)N(c1nc(CSc2cccc(Cl)c2)cs1)C1CC1 ZINC000075612647 564089857 /nfs/dbraw/zinc/08/98/57/564089857.db2.gz FJLICDYRKXORPP-UHFFFAOYSA-N 0 0 338.885 4.604 50 0 EJAARN C[C@H](N[C@H](c1ccoc1)c1ccccc1)c1nnc(-c2ccccc2)o1 ZINC000075612309 564089870 /nfs/dbraw/zinc/08/98/70/564089870.db2.gz JITLUYOGWWMRAP-KXBFYZLASA-N 0 0 345.402 4.770 50 0 EJAARN Cc1cc2nnc(SCCCOc3ccccc3)n2c2ccccc12 ZINC000001924343 564090266 /nfs/dbraw/zinc/09/02/66/564090266.db2.gz OQXGFZFROWTTOQ-UHFFFAOYSA-N 0 0 349.459 4.752 50 0 EJAARN CCOC(=O)c1sc(NC(=O)Nc2ccccc2Cl)cc1C ZINC000006497644 564090846 /nfs/dbraw/zinc/09/08/46/564090846.db2.gz JAHJQXFXKSVBML-UHFFFAOYSA-N 0 0 338.816 4.531 50 0 EJAARN Cc1ccc(NC(=O)c2ccc(Br)s2)c2cccnc12 ZINC000031093445 564090799 /nfs/dbraw/zinc/09/07/99/564090799.db2.gz NQEPEPQVRHPPEH-UHFFFAOYSA-N 0 0 347.237 4.620 50 0 EJAARN Cc1nnc(SCc2csc(Nc3ccc(C)cc3)n2)s1 ZINC000006510345 564091271 /nfs/dbraw/zinc/09/12/71/564091271.db2.gz LLJHCLKMPKGKOV-UHFFFAOYSA-N 0 0 334.495 4.647 50 0 EJAARN O=C(CSc1ccccc1F)Nc1ccc(N2CCCCC2)cc1 ZINC000006509990 564091260 /nfs/dbraw/zinc/09/12/60/564091260.db2.gz HCJKMZDJZKOHQT-UHFFFAOYSA-N 0 0 344.455 4.547 50 0 EJAARN COc1cccc(-n2c(=S)[n-]nc2[C@H]2C[C@@H]2c2ccc(C)cc2)c1 ZINC000006533844 564091668 /nfs/dbraw/zinc/09/16/68/564091668.db2.gz RZLCWCPSHYSWNR-SJORKVTESA-N 0 0 337.448 4.518 50 0 EJAARN COc1ccc(-n2c(=S)[n-]nc2[C@H]2C[C@@H]2c2ccc(C)cc2)cc1 ZINC000006533842 564091703 /nfs/dbraw/zinc/09/17/03/564091703.db2.gz SQYRRWLGSBFELZ-SJORKVTESA-N 0 0 337.448 4.518 50 0 EJAARN Cc1c(NC(=O)c2ccco2)cccc1-c1nc2cccnc2s1 ZINC000006549795 564091855 /nfs/dbraw/zinc/09/18/55/564091855.db2.gz ZAAGVDGQCYWXBF-UHFFFAOYSA-N 0 0 335.388 4.512 50 0 EJAARN Cc1c2cc(Cl)ccc2oc1C(=O)Nc1nc2ccccc2[nH]1 ZINC000006553390 564092019 /nfs/dbraw/zinc/09/20/19/564092019.db2.gz BRBJWQQBGRFUFD-UHFFFAOYSA-N 0 0 325.755 4.523 50 0 EJAARN Cc1c(Cl)cccc1NC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000006560949 564092117 /nfs/dbraw/zinc/09/21/17/564092117.db2.gz PSAWBUGQEDJVEL-UHFFFAOYSA-N 0 0 327.733 4.848 50 0 EJAARN COc1cc2c(cc1NC(=O)Cc1ccccc1F)oc1ccccc12 ZINC000006581246 564092259 /nfs/dbraw/zinc/09/22/59/564092259.db2.gz OHDLZPCRBFMJNG-UHFFFAOYSA-N 0 0 349.361 4.915 50 0 EJAARN CC(=O)c1cccc(NCC(=O)Nc2ccccc2-c2ccccc2)c1 ZINC000007972440 564092643 /nfs/dbraw/zinc/09/26/43/564092643.db2.gz KKGKERFFDFYUBY-UHFFFAOYSA-N 0 0 344.414 4.607 50 0 EJAARN Cc1ccccc1NC(=O)Cc1nc(-c2c(F)cccc2F)cs1 ZINC000006606523 564093092 /nfs/dbraw/zinc/09/30/92/564093092.db2.gz PABVRMLRJKTIQV-UHFFFAOYSA-N 0 0 344.386 4.578 50 0 EJAARN O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@H]1c1cccs1 ZINC000006605819 564093093 /nfs/dbraw/zinc/09/30/93/564093093.db2.gz ZZEAKTQZHYFQDW-SFHVURJKSA-N 0 0 338.476 4.916 50 0 EJAARN O=C1ON=C(c2ccccc2)C1=CNc1ccccc1-c1ccccc1 ZINC000008381694 564093691 /nfs/dbraw/zinc/09/36/91/564093691.db2.gz KPDXDTGUTJDUCQ-XDJHFCHBSA-N 0 0 340.382 4.611 50 0 EJAARN O=C(c1ccc(-c2cc(C(F)(F)F)ccn2)cc1)N1CCCCCC1 ZINC000426509352 564093914 /nfs/dbraw/zinc/09/39/14/564093914.db2.gz JLFOTTFABCNROX-UHFFFAOYSA-N 0 0 348.368 4.784 50 0 EJAARN CCCCCOc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1 ZINC000002066083 564094397 /nfs/dbraw/zinc/09/43/97/564094397.db2.gz QVTYMYMADXTENS-CYVLTUHYSA-N 0 0 335.403 4.600 50 0 EJAARN CC1(C)CN(C(=O)c2conc2-c2ccccc2)C[C@H]1c1ccccc1 ZINC000426712153 564094431 /nfs/dbraw/zinc/09/44/31/564094431.db2.gz OBGDTYQHCAIEMG-IBGZPJMESA-N 0 0 346.430 4.607 50 0 EJAARN O=C(Nc1ccc(C(F)(F)F)cn1)C1(c2ccccc2)CCCC1 ZINC000006615908 564094535 /nfs/dbraw/zinc/09/45/35/564094535.db2.gz NKNAIQNXBHWLGB-UHFFFAOYSA-N 0 0 334.341 4.551 50 0 EJAARN CC(=O)Nc1c2ccccc2oc1-c1cc(=O)oc2c(C)cc(C)cc12 ZINC000006623942 564094621 /nfs/dbraw/zinc/09/46/21/564094621.db2.gz YVUBSFMNQOERPZ-UHFFFAOYSA-N 0 0 347.370 4.781 50 0 biogenic EJAARN Clc1ccc(CNc2ncnc3c(-c4ccccc4)noc32)cc1 ZINC000064658336 564094715 /nfs/dbraw/zinc/09/47/15/564094715.db2.gz RPNZXKSPQNTIRJ-UHFFFAOYSA-N 0 0 336.782 4.550 50 0 EJAARN Cc1ccc2[nH]c(S[C@H](C)c3nnc(-c4cccs4)o3)nc2c1 ZINC000006649744 564095154 /nfs/dbraw/zinc/09/51/54/564095154.db2.gz ZPQDWKLSOVYTIN-SNVBAGLBSA-N 0 0 342.449 4.836 50 0 EJAARN CCCNC(=O)C[C@@H](c1cn(C)c2ccccc12)c1ccc(C)cc1 ZINC000006705536 564096241 /nfs/dbraw/zinc/09/62/41/564096241.db2.gz FZWBLGWSTRYGMF-LJQANCHMSA-N 0 0 334.463 4.535 50 0 EJAARN CCc1ccc(Nc2ncnc3c(-c4ccc(C)cc4)noc32)cc1 ZINC000064820891 564096603 /nfs/dbraw/zinc/09/66/03/564096603.db2.gz STAWLDQMYMFINJ-UHFFFAOYSA-N 0 0 330.391 4.899 50 0 EJAARN Cc1ccnc(N2C(=O)c3ccccc3[C@@H]2Nc2ccc(C)c(C)c2)c1 ZINC000006737411 564096670 /nfs/dbraw/zinc/09/66/70/564096670.db2.gz KLKZDSJVWPDPIX-OAQYLSRUSA-N 0 0 343.430 4.778 50 0 EJAARN Cc1ccc2oc(=O)c3cc(C(=O)N(C)c4ccccc4)sc3c2c1 ZINC000006736915 564096677 /nfs/dbraw/zinc/09/66/77/564096677.db2.gz ICSCUTCTTHUWST-UHFFFAOYSA-N 0 0 349.411 4.593 50 0 EJAARN O=C1c2ccccc2[C@@H](Nc2ccccc2Cl)N1c1ccccn1 ZINC000006745366 564096826 /nfs/dbraw/zinc/09/68/26/564096826.db2.gz HQRCNOWWVPRYLM-SFHVURJKSA-N 0 0 335.794 4.506 50 0 EJAARN Cc1cccc(-c2nc3nc(C)cc(Nc4ccccc4Cl)n3n2)c1 ZINC000006748212 564096954 /nfs/dbraw/zinc/09/69/54/564096954.db2.gz BCQVBOSFUGPILW-UHFFFAOYSA-N 0 0 349.825 4.805 50 0 EJAARN Cc1cccc(-c2nc3nc(C)cc(Nc4cccc(Cl)c4)n3n2)c1 ZINC000006748213 564096972 /nfs/dbraw/zinc/09/69/72/564096972.db2.gz DYRDRQRWCIVHRJ-UHFFFAOYSA-N 0 0 349.825 4.805 50 0 EJAARN Cc1ccc2c(c1)Cc1c(=O)[nH]c(-c3ccc(C(C)C)cc3)nc1O2 ZINC000006748474 564096998 /nfs/dbraw/zinc/09/69/98/564096998.db2.gz KFTBLALHROMSBH-UHFFFAOYSA-N 0 0 332.403 4.978 50 0 EJAARN CCCc1cc(-c2nc(-c3cc4ccccc4oc3=O)cs2)ccn1 ZINC000006758732 564097255 /nfs/dbraw/zinc/09/72/55/564097255.db2.gz QCAZMRQFVJVNDN-UHFFFAOYSA-N 0 0 348.427 4.931 50 0 EJAARN CCc1nnc2c(Nc3cccc(Cl)c3C)nc3ccccc3n12 ZINC000006792022 564097982 /nfs/dbraw/zinc/09/79/82/564097982.db2.gz DZPURTZKJHJBAF-UHFFFAOYSA-N 0 0 337.814 4.545 50 0 EJAARN CCn1c(C(=O)N[C@@H](C)c2ccccc2)cc2sc(Cl)cc21 ZINC000006804715 564098351 /nfs/dbraw/zinc/09/83/51/564098351.db2.gz ZWKISLJVQLUBBL-NSHDSACASA-N 0 0 332.856 4.867 50 0 EJAARN COc1ccc(OC)c(NC(=O)c2ccc(-c3ccccc3)s2)c1 ZINC000006808250 564098394 /nfs/dbraw/zinc/09/83/94/564098394.db2.gz IXULYOQZHGTINF-UHFFFAOYSA-N 0 0 339.416 4.685 50 0 EJAARN O=C(c1ccc(F)cc1)N(Cc1ccco1)Cc1ccc(Cl)cc1 ZINC000006810568 564098496 /nfs/dbraw/zinc/09/84/96/564098496.db2.gz VWKZWVYXRLYPOE-UHFFFAOYSA-N 0 0 343.785 4.915 50 0 EJAARN O=C(c1ccc(F)cc1)N(Cc1ccco1)Cc1ccccc1Cl ZINC000006810613 564098520 /nfs/dbraw/zinc/09/85/20/564098520.db2.gz FLRKABAMHPEBJP-UHFFFAOYSA-N 0 0 343.785 4.915 50 0 EJAARN Cc1ccc(CN(Cc2ccco2)C(=O)COc2ccccc2C)cc1 ZINC000006810675 564098540 /nfs/dbraw/zinc/09/85/40/564098540.db2.gz MWXCQEUJONPFJS-UHFFFAOYSA-N 0 0 349.430 4.504 50 0 EJAARN Cc1cc(C)c2c(=O)cc(C(=O)Nc3cccc(Cl)c3C)oc2c1 ZINC000006811304 564098619 /nfs/dbraw/zinc/09/86/19/564098619.db2.gz OUBDOULKOCVBHW-UHFFFAOYSA-N 0 0 341.794 4.624 50 0 EJAARN CCc1ccc(NC(=O)c2noc3c2CSc2ccccc2-3)cc1 ZINC000006817389 564098703 /nfs/dbraw/zinc/09/87/03/564098703.db2.gz NVRMLZMLKYTLOY-UHFFFAOYSA-N 0 0 336.416 4.762 50 0 EJAARN CCCN(C(=O)c1noc2c1COc1ccccc1-2)c1ccccc1C ZINC000006817336 564098708 /nfs/dbraw/zinc/09/87/08/564098708.db2.gz FGIDKWGDGVOLSV-UHFFFAOYSA-N 0 0 348.402 4.599 50 0 EJAARN CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCc2ccccc21 ZINC000006821249 564098850 /nfs/dbraw/zinc/09/88/50/564098850.db2.gz MAJCHZLNBNPGMG-UHFFFAOYSA-N 0 0 336.479 4.935 50 0 EJAARN O=C(Cc1ccccc1F)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000006822653 564098916 /nfs/dbraw/zinc/09/89/16/564098916.db2.gz WZXVDJSXOAXETA-UHFFFAOYSA-N 0 0 346.833 4.651 50 0 EJAARN O=S(=O)(c1ccccc1)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000064983936 564099105 /nfs/dbraw/zinc/09/91/05/564099105.db2.gz OHTLPUTZDQWDRH-SFHVURJKSA-N 0 0 349.883 4.646 50 0 EJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(-n2cccc2)c1 ZINC000006831624 564099199 /nfs/dbraw/zinc/09/91/99/564099199.db2.gz JGKBSOWPEMMOJW-UHFFFAOYSA-N 0 0 346.308 4.628 50 0 EJAARN CCCCc1ccc2nc(NC(=O)c3cccnc3Cl)sc2c1 ZINC000006832409 564099214 /nfs/dbraw/zinc/09/92/14/564099214.db2.gz SLSIEEWBZUAKIC-UHFFFAOYSA-N 0 0 345.855 4.940 50 0 EJAARN CCCC[C@H](CC)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000006834448 564099241 /nfs/dbraw/zinc/09/92/41/564099241.db2.gz HACOLRUFDRXNEB-AWEZNQCLSA-N 0 0 349.525 4.985 50 0 EJAARN Cc1cc(C)cc(CSc2nnc(NC(=O)C3CCCC3)s2)c1 ZINC000006838150 564099276 /nfs/dbraw/zinc/09/92/76/564099276.db2.gz QQDKHBRAGCQSHC-UHFFFAOYSA-N 0 0 347.509 4.576 50 0 EJAARN Cc1ccc(Cl)cc1N(C)C(=O)c1cccc2c1SCCC2=O ZINC000006841562 564099382 /nfs/dbraw/zinc/09/93/82/564099382.db2.gz QXFYITDRPYHYHG-UHFFFAOYSA-N 0 0 345.851 4.604 50 0 EJAARN Cc1ccc2c(c1)N(C(=O)Nc1cccc3c1CCCC3)C[C@H](C)O2 ZINC000006842809 564099441 /nfs/dbraw/zinc/09/94/41/564099441.db2.gz ZPJOXRKYCWCAOV-HNNXBMFYSA-N 0 0 336.435 4.693 50 0 EJAARN CCc1ccccc1NC(=O)N1C[C@@H](C)Oc2ccc(Cl)cc21 ZINC000006842903 564099458 /nfs/dbraw/zinc/09/94/58/564099458.db2.gz OPJOPKNSDSFTKS-GFCCVEGCSA-N 0 0 330.815 4.722 50 0 EJAARN CC[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2C)c2ccccc2O1 ZINC000006844330 564099518 /nfs/dbraw/zinc/09/95/18/564099518.db2.gz LCGZJCCZYIBCHG-CQSZACIVSA-N 0 0 330.815 4.858 50 0 EJAARN CC[C@H]1CN(C(=O)Nc2cccc(SC)c2)c2cc(C)ccc2O1 ZINC000006843669 564099529 /nfs/dbraw/zinc/09/95/29/564099529.db2.gz MYKCZHKFWDBCRU-HNNXBMFYSA-N 0 0 342.464 4.926 50 0 EJAARN C[C@H](NC(=O)CSc1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000006850166 564099594 /nfs/dbraw/zinc/09/95/94/564099594.db2.gz NDCJIAQULVBFBM-AWEZNQCLSA-N 0 0 339.435 4.948 50 0 EJAARN CCn1cc(CCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c2ccccc21 ZINC000006857996 564099670 /nfs/dbraw/zinc/09/96/70/564099670.db2.gz UUEIYKAUFAIOMQ-TXPKVOOTSA-N 0 0 326.484 4.535 50 0 EJAARN CSc1ccc(CNC(=O)c2ccc(-c3ccc(C)cc3)nc2)cc1 ZINC000065030098 564099723 /nfs/dbraw/zinc/09/97/23/564099723.db2.gz 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564101935 /nfs/dbraw/zinc/10/19/35/564101935.db2.gz XSTCRSCSUSEMMH-UHFFFAOYSA-N 0 0 341.436 4.701 50 0 EJAARN CCc1ccc([C@H](C)NC(=O)CCc2conc2-c2ccccc2)cc1 ZINC000065213349 564102766 /nfs/dbraw/zinc/10/27/66/564102766.db2.gz IWGRVQHTKAZYMB-INIZCTEOSA-N 0 0 348.446 4.714 50 0 EJAARN Cc1ccc(OCc2cc(-c3ccco3)on2)c(Br)c1 ZINC000007023626 564103326 /nfs/dbraw/zinc/10/33/26/564103326.db2.gz KZASESBQUUMSOS-UHFFFAOYSA-N 0 0 334.169 4.585 50 0 EJAARN CCc1cccc(Nc2c(-c3nc(C)no3)cnc3nc(C)ccc32)c1 ZINC000065250573 564103434 /nfs/dbraw/zinc/10/34/34/564103434.db2.gz JIWLTQKJNOQRIX-UHFFFAOYSA-N 0 0 345.406 4.603 50 0 EJAARN COc1ccc(NC(=O)c2cc3cn(C4CC4)cc3s2)c(C)c1 ZINC000065285677 564104317 /nfs/dbraw/zinc/10/43/17/564104317.db2.gz OZPWAMFBSWTFNX-UHFFFAOYSA-N 0 0 326.421 4.607 50 0 EJAARN Cc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3s2)cc1C ZINC000007061864 564104490 /nfs/dbraw/zinc/10/44/90/564104490.db2.gz ZDHPGOUMTAITKL-UHFFFAOYSA-N 0 0 330.840 4.748 50 0 EJAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cc(Cl)ccc1F 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Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)CCc1ccccc1 ZINC000065476536 564106277 /nfs/dbraw/zinc/10/62/77/564106277.db2.gz LLOPCISQTVMBQR-UHFFFAOYSA-N 0 0 349.434 4.740 50 0 EJAARN CC(C)(NC(=O)c1ccc(Sc2ccccn2)cc1)c1ccccc1 ZINC000065478152 564106281 /nfs/dbraw/zinc/10/62/81/564106281.db2.gz MUJSOIMFYYNXAP-UHFFFAOYSA-N 0 0 348.471 4.898 50 0 EJAARN O=C(Cc1c[nH]c2ccccc12)Nc1ccc2c(c1)-c1ccccc1C2 ZINC000007285285 564106410 /nfs/dbraw/zinc/10/64/10/564106410.db2.gz AIXGOVZQRITYDK-UHFFFAOYSA-N 0 0 338.410 4.920 50 0 EJAARN COc1ccc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)cc1F ZINC000007285538 564106448 /nfs/dbraw/zinc/10/64/48/564106448.db2.gz CBLKKVSKVJPGSN-UHFFFAOYSA-N 0 0 333.362 4.658 50 0 EJAARN C[C@]1(c2ccccc2)OC(=O)[C@H]2[C@H]1[C@H]1CCCCC1=C1CCCC[C@H]12 ZINC000239347372 564106607 /nfs/dbraw/zinc/10/66/07/564106607.db2.gz MULDAFDMOJEJEP-AIDNLNPPSA-N 0 0 336.475 5.382 50 0 biogenic EJAARN Cc1ccccc1OCCCn1c2ccccc2nc1[C@H]1CCCO1 ZINC000007343599 564107238 /nfs/dbraw/zinc/10/72/38/564107238.db2.gz 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564109665 /nfs/dbraw/zinc/10/96/65/564109665.db2.gz MJNCTSJNUUVVMJ-UHFFFAOYSA-N 0 0 345.402 4.798 50 0 EJAARN C[C@@H](C[NH2+]CCCCCCC(=O)[O-])Cc1ccc(C(C)(C)C)cc1 ZINC000170612895 564109898 /nfs/dbraw/zinc/10/98/98/564109898.db2.gz UDOCDQVWNHUEQW-QGZVFWFLSA-N 0 0 333.516 4.787 50 0 EJAARN CC(C)c1ccc(-c2nc(CSc3nnc(N)s3)cs2)cc1 ZINC000007536125 564109920 /nfs/dbraw/zinc/10/99/20/564109920.db2.gz BFCHHKBBUSWTGW-UHFFFAOYSA-N 0 0 348.522 4.660 50 0 EJAARN O=C(C[C@H](c1ccccc1)n1cnc2ccccc21)c1ccccc1 ZINC000007542322 564110221 /nfs/dbraw/zinc/11/02/21/564110221.db2.gz SAGHVQDFVQGNAU-OAQYLSRUSA-N 0 0 326.399 4.899 50 0 EJAARN Cc1nc(CSCc2nn(-c3ccccc3)c3c2CCC3)cs1 ZINC000170621866 564110227 /nfs/dbraw/zinc/11/02/27/564110227.db2.gz AUVQJESEYAKCIZ-UHFFFAOYSA-N 0 0 341.505 4.559 50 0 EJAARN CC(C)c1cc(C(=O)NC(C)(C)c2ccc(F)cc2)nn1C(C)(C)C ZINC000170621056 564110277 /nfs/dbraw/zinc/11/02/77/564110277.db2.gz AIAYJLSOKZNFEW-UHFFFAOYSA-N 0 0 345.462 4.566 50 0 EJAARN CC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000170624632 564110381 /nfs/dbraw/zinc/11/03/81/564110381.db2.gz JGLZFLDOPSAYFQ-DLBZAZTESA-N 0 0 347.336 4.650 50 0 EJAARN Cc1cccc(OC(F)F)c1NC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000170623533 564110436 /nfs/dbraw/zinc/11/04/36/564110436.db2.gz HEROVLSUZRABDQ-AAEUAGOBSA-N 0 0 326.387 4.639 50 0 EJAARN Cc1ccc([C@@H]2CCCN2C(=O)CO[C@H]2CCCC[C@@H]2C)cc1C ZINC000170626333 564110482 /nfs/dbraw/zinc/11/04/82/564110482.db2.gz XXMMUDTYLUWUJX-VDGAXYAQSA-N 0 0 329.484 4.562 50 0 EJAARN CCc1noc([C@H](C)Nc2ccc3c(c2)c2ccccc2n3CC)n1 ZINC000170627037 564110570 /nfs/dbraw/zinc/11/05/70/564110570.db2.gz VGCCFZDLJFINGT-ZDUSSCGKSA-N 0 0 334.423 4.933 50 0 EJAARN CC(C)c1cc(C(=O)Nc2ccc3cc[nH]c3c2)n(-c2ccccc2)n1 ZINC000071289147 564110975 /nfs/dbraw/zinc/11/09/75/564110975.db2.gz BWXGPWAIYUAKGZ-UHFFFAOYSA-N 0 0 344.418 4.729 50 0 EJAARN CC(=O)Nc1ccc(NC(=O)c2cc(F)ccc2-c2ccccc2)cc1 ZINC000042565366 564111021 /nfs/dbraw/zinc/11/10/21/564111021.db2.gz AGMHAURPEGRWDQ-UHFFFAOYSA-N 0 0 348.377 4.703 50 0 EJAARN CCn1c(SCc2cccc(F)c2)nnc1-c1ccc(F)cc1 ZINC000013325476 564111516 /nfs/dbraw/zinc/11/15/16/564111516.db2.gz MZRWAWMXFCBDGA-UHFFFAOYSA-N 0 0 331.391 4.536 50 0 EJAARN COc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000013325334 564111542 /nfs/dbraw/zinc/11/15/42/564111542.db2.gz FPICBWHMRBHTMF-UHFFFAOYSA-N 0 0 325.195 4.954 50 0 EJAARN Cc1ccccc1CC(=O)Nc1cccc(-c2cn3ccsc3n2)c1 ZINC000013537012 564111755 /nfs/dbraw/zinc/11/17/55/564111755.db2.gz MDDRYTBKGSZLLU-UHFFFAOYSA-N 0 0 347.443 4.552 50 0 EJAARN C[C@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)s1 ZINC000013745074 564111949 /nfs/dbraw/zinc/11/19/49/564111949.db2.gz YSENUDCWYVFSHE-DKHPWKACSA-N 0 0 338.904 4.731 50 0 EJAARN Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2Br)cc1 ZINC000013745473 564111996 /nfs/dbraw/zinc/11/19/96/564111996.db2.gz SAOIMBKLULCJSQ-GFCCVEGCSA-N 0 0 333.229 4.640 50 0 EJAARN Cc1c(C(=O)N(C)c2ccccc2)sc2nc(-c3ccccc3)cn12 ZINC000016740400 564112990 /nfs/dbraw/zinc/11/29/90/564112990.db2.gz JBFSDQZHADZACV-UHFFFAOYSA-N 0 0 347.443 4.648 50 0 EJAARN O=C(Nc1ccccc1Oc1cccc(F)c1)[C@@H]1C[C@@H]1c1cccnc1 ZINC000089814113 564114022 /nfs/dbraw/zinc/11/40/22/564114022.db2.gz RTXDZRIFJNRCSE-QZTJIDSGSA-N 0 0 348.377 4.755 50 0 EJAARN O=C(N[C@@H]1C[C@@H]1c1ccccc1)C1(c2cccc(F)c2)CCCCC1 ZINC000089828044 564114128 /nfs/dbraw/zinc/11/41/28/564114128.db2.gz NSOCRLVIKLHWEK-WOJBJXKFSA-N 0 0 337.438 4.700 50 0 EJAARN CC[C@@](C)(NC(=O)Nc1cccc(COC(C)C)c1)c1nccs1 ZINC000076018958 564114499 /nfs/dbraw/zinc/11/44/99/564114499.db2.gz JGWHQKWBLYKIBP-GOSISDBHSA-N 0 0 347.484 4.515 50 0 EJAARN O=C(Nc1cccc2ccccc21)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000089873249 564114627 /nfs/dbraw/zinc/11/46/27/564114627.db2.gz XTBUUEGENNFEOS-RDTXWAMCSA-N 0 0 338.357 4.796 50 0 EJAARN C[C@H]1SCCN(C(=O)Nc2ccccc2CCC(F)(F)F)[C@@H]1C ZINC000089920032 564115411 /nfs/dbraw/zinc/11/54/11/564115411.db2.gz JLAHWJFNBRLTQM-VXGBXAGGSA-N 0 0 346.418 4.539 50 0 EJAARN Cc1cc(C)c2sc(NC(=O)c3cccc4ccccc43)nc2n1 ZINC000017014105 564116142 /nfs/dbraw/zinc/11/61/42/564116142.db2.gz UNSCUKSFIQAERC-UHFFFAOYSA-N 0 0 333.416 4.714 50 0 EJAARN CCOC(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@H]21 ZINC000017193762 564116627 /nfs/dbraw/zinc/11/66/27/564116627.db2.gz ZYCKOAZLWMCLLK-WIRSXHRWSA-N 0 0 342.435 4.647 50 0 EJAARN COc1cc(Cl)c(C)cc1NC(=O)COc1cc(C)cc(C)c1C ZINC000000460800 564116704 /nfs/dbraw/zinc/11/67/04/564116704.db2.gz FYZFFOITCGTQIT-UHFFFAOYSA-N 0 0 347.842 4.600 50 0 EJAARN CCC(=O)N(CC[C@@H](c1ccco1)C(C)C)Cc1ccc(OC)cc1 ZINC000002092098 564117570 /nfs/dbraw/zinc/11/75/70/564117570.db2.gz DEVJIOLNJVXLNQ-LJQANCHMSA-N 0 0 343.467 4.857 50 0 biogenic EJAARN Cc1ccc(C(=O)c2ccccc2)c(NC(=O)c2ccccc2F)c1 ZINC000000388960 564118830 /nfs/dbraw/zinc/11/88/30/564118830.db2.gz SAONBNMMRFLQDG-UHFFFAOYSA-N 0 0 333.362 4.617 50 0 EJAARN O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1ccc(F)cc1 ZINC000007599164 564119032 /nfs/dbraw/zinc/11/90/32/564119032.db2.gz QXHVQVCIFUIHQG-UHFFFAOYSA-N 0 0 338.363 4.948 50 0 EJAARN O=C(NC(=O)c1ccccc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000002544935 564119054 /nfs/dbraw/zinc/11/90/54/564119054.db2.gz VBWSZGWXULBGMI-UHFFFAOYSA-N 0 0 343.597 4.609 50 0 EJAARN FC(F)(F)c1cc([C@H](NCc2ccon2)C2CC2)ccc1Cl ZINC000390833544 564120215 /nfs/dbraw/zinc/12/02/15/564120215.db2.gz JDFOCVZEWHAKQC-CQSZACIVSA-N 0 0 330.737 4.588 50 0 EJAARN Cc1ccc(Oc2ccc(N[C@H]3CCc4ccc(F)cc43)cc2)nn1 ZINC000170651605 564120476 /nfs/dbraw/zinc/12/04/76/564120476.db2.gz YDSULEVQZUVURV-IBGZPJMESA-N 0 0 335.382 4.816 50 0 EJAARN CCC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000000517860 564120599 /nfs/dbraw/zinc/12/05/99/564120599.db2.gz PDMMFKSKQVNJMI-MGNVCTHBSA-N 0 0 344.495 4.840 50 0 biogenic EJAARN CCCCSc1nnc([C@H](CC(C)C)NC(=O)OC(C)(C)C)o1 ZINC000002195595 564120803 /nfs/dbraw/zinc/12/08/03/564120803.db2.gz QUCJVEIZHZAXTH-LBPRGKRZSA-N 0 0 343.493 4.574 50 0 EJAARN Cc1cc(C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)ccc1N ZINC000170681274 564121457 /nfs/dbraw/zinc/12/14/57/564121457.db2.gz MVPUHXCYMYHPIM-UHFFFAOYSA-N 0 0 338.357 4.775 50 0 EJAARN COc1cc(NC(=O)c2sc3cccc(F)c3c2C)cc(OC)c1 ZINC000007667320 564121667 /nfs/dbraw/zinc/12/16/67/564121667.db2.gz PXFLFIMRWWURMZ-UHFFFAOYSA-N 0 0 345.395 4.618 50 0 EJAARN CC[C@H]1CCc2sc(C(=O)Nc3ccnn3C3CCCC3)cc2C1 ZINC000007714076 564122179 /nfs/dbraw/zinc/12/21/79/564122179.db2.gz GKAIRWITEYYWOF-ZDUSSCGKSA-N 0 0 343.496 4.827 50 0 EJAARN CC[C@@H]1CCc2sc(C(=O)Nc3ccnn3C3CCCC3)cc2C1 ZINC000007714068 564122190 /nfs/dbraw/zinc/12/21/90/564122190.db2.gz GKAIRWITEYYWOF-CYBMUJFWSA-N 0 0 343.496 4.827 50 0 EJAARN Cc1ccc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1 ZINC000007723897 564122242 /nfs/dbraw/zinc/12/22/42/564122242.db2.gz VWRHGVBUBZZVAI-UHFFFAOYSA-N 0 0 330.359 4.649 50 0 EJAARN Cc1c2cccc(Cl)c2oc1C(=O)NCCCc1ccccc1 ZINC000007736904 564122495 /nfs/dbraw/zinc/12/24/95/564122495.db2.gz CXCQRMMPMILPPC-UHFFFAOYSA-N 0 0 327.811 4.757 50 0 EJAARN Cc1cc2nc(Oc3ccc(F)c(Cl)c3)c3ccccc3n2n1 ZINC000007737823 564122531 /nfs/dbraw/zinc/12/25/31/564122531.db2.gz LJVLSJQTVVUXDV-UHFFFAOYSA-N 0 0 327.746 4.776 50 0 EJAARN C[C@@H](NC(=O)CSc1cc(F)ccc1F)c1cc2ccccc2o1 ZINC000007755807 564122676 /nfs/dbraw/zinc/12/26/76/564122676.db2.gz XNBUYGRHYYTNNO-LLVKDONJSA-N 0 0 347.386 4.681 50 0 EJAARN COc1cccc(Nc2nn(-c3ccc(F)cc3)c(=S)s2)c1 ZINC000007779940 564123121 /nfs/dbraw/zinc/12/31/21/564123121.db2.gz BLZGFLFDDABVSV-UHFFFAOYSA-N 0 0 333.413 4.555 50 0 EJAARN FC(F)(F)c1cnc(SCc2cn3ccccc3n2)c(Cl)c1 ZINC000195536016 564123649 /nfs/dbraw/zinc/12/36/49/564123649.db2.gz CNKFDFCAXVRVRD-UHFFFAOYSA-N 0 0 343.761 4.694 50 0 EJAARN O=C(N[C@H](c1ccco1)c1ccccc1)c1ccc2ccccc2c1 ZINC000007808700 564123779 /nfs/dbraw/zinc/12/37/79/564123779.db2.gz XQHJCZGDWADGCX-NRFANRHFSA-N 0 0 327.383 4.952 50 0 EJAARN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccs2)cc1 ZINC000007883916 564124337 /nfs/dbraw/zinc/12/43/37/564124337.db2.gz WADFJMZDIWTMQV-SFHVURJKSA-N 0 0 336.416 4.528 50 0 EJAARN O=C1c2ccccc2N[C@@H](c2c(Cl)cccc2Cl)N1C1CC1 ZINC000007886103 564124411 /nfs/dbraw/zinc/12/44/11/564124411.db2.gz PVDPBPTVNVBYAP-MRXNPFEDSA-N 0 0 333.218 4.722 50 0 EJAARN O=C(OCc1cc(-c2ccccc2)on1)c1ccccc1C(F)(F)F ZINC000007886800 564124432 /nfs/dbraw/zinc/12/44/32/564124432.db2.gz ZNXSVWLRXVQQIU-UHFFFAOYSA-N 0 0 347.292 4.717 50 0 EJAARN CCC(=O)O[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004015076 564128954 /nfs/dbraw/zinc/12/89/54/564128954.db2.gz XTAARPJDFFXHGH-PJOSQKIZSA-N 0 0 346.511 4.920 50 0 biogenic EJAARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@@H]3CC[C@H]2C1 ZINC000004081559 564128985 /nfs/dbraw/zinc/12/89/85/564128985.db2.gz FDCINQSOYQUNKB-QFWYRGITSA-N 0 0 332.484 4.530 50 0 biogenic EJAARN Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1Cc1ccc(Cl)cc1 ZINC000019865254 564129037 /nfs/dbraw/zinc/12/90/37/564129037.db2.gz STIHHIYJZJQRKV-MRXNPFEDSA-N 0 0 347.805 4.510 50 0 EJAARN Clc1ccc([C@H]2CC(c3ccccc3)=Nc3ncnn32)cc1Cl ZINC000019798747 564129058 /nfs/dbraw/zinc/12/90/58/564129058.db2.gz XHAREFSNOHCVSP-MRXNPFEDSA-N 0 0 343.217 4.641 50 0 EJAARN CCCCN(C(=O)OC(C)(C)C)c1cccc(Br)c1 ZINC000216313709 564129598 /nfs/dbraw/zinc/12/95/98/564129598.db2.gz DHSJZYQBFRBFBU-UHFFFAOYSA-N 0 0 328.250 4.991 50 0 EJAARN CCOc1ccc2nc(NC(=O)[C@H](CC)c3ccccc3)sc2c1 ZINC000000364502 564130147 /nfs/dbraw/zinc/13/01/47/564130147.db2.gz ODDUFEJMIDEAMP-OAHLLOKOSA-N 0 0 340.448 4.827 50 0 EJAARN CC(C)OP(=O)(COC(=O)Nc1cccc(Cl)c1)OC(C)C ZINC000002285210 564130253 /nfs/dbraw/zinc/13/02/53/564130253.db2.gz XHJJWKIKCNILKH-UHFFFAOYSA-N 0 0 349.751 4.889 50 0 EJAARN CCOC(=O)c1cc(CP(=O)(OCC)OCC)oc1C(C)(C)C ZINC000002313489 564132193 /nfs/dbraw/zinc/13/21/93/564132193.db2.gz JGKXQYIDNGAWIW-UHFFFAOYSA-N 0 0 346.360 4.520 50 0 EJAARN COc1cc(C)c(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)c(C)c1C ZINC000253420103 564131035 /nfs/dbraw/zinc/13/10/35/564131035.db2.gz LYBLSVDSRNHLDD-HZPDHXFCSA-N 0 0 345.389 4.641 50 0 EJAARN CCN(CCCCO)C(=O)c1cccc(-c2cc(C)ccc2Cl)c1 ZINC000584892491 564131569 /nfs/dbraw/zinc/13/15/69/564131569.db2.gz CYAYWRHCPWFKQJ-UHFFFAOYSA-N 0 0 345.870 4.550 50 0 EJAARN Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3cccs3)NC(=O)CCN21 ZINC000002296502 564131727 /nfs/dbraw/zinc/13/17/27/564131727.db2.gz LANOGHUAWHZQNC-CSNYQSHPSA-N 0 0 338.476 4.924 50 0 EJAARN Cc1cc(C)c2c(nn3c2nc(C)cc3Nc2cccc(Cl)c2)n1 ZINC000002325538 564132308 /nfs/dbraw/zinc/13/23/08/564132308.db2.gz YSKKBNIMPRSHIT-UHFFFAOYSA-N 0 0 337.814 4.600 50 0 EJAARN CCCSc1nc2sc3c(c2c(Cl)n1)CC(C)(C)OC3 ZINC000002349563 564132579 /nfs/dbraw/zinc/13/25/79/564132579.db2.gz UDCURKINZLJZQD-UHFFFAOYSA-N 0 0 328.890 4.698 50 0 EJAARN O=C(NCCSc1c[nH]c2ccccc12)c1ccc2ccccc2c1 ZINC000002451533 564135777 /nfs/dbraw/zinc/13/57/77/564135777.db2.gz YBOXBKLBJQPSSO-UHFFFAOYSA-N 0 0 346.455 4.843 50 0 EJAARN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3SC)cc1 ZINC000002456241 564136069 /nfs/dbraw/zinc/13/60/69/564136069.db2.gz LKRJJSASTAWAHB-UHFFFAOYSA-N 0 0 347.443 4.818 50 0 EJAARN Cc1cc(C(=O)NCCc2c(C)[nH]c3c2cc(Cl)cc3C)c(C)o1 ZINC000027926852 564138256 /nfs/dbraw/zinc/13/82/56/564138256.db2.gz DQSMDRKENVGJQS-UHFFFAOYSA-N 0 0 344.842 4.620 50 0 EJAARN O=C(N[C@@H](c1ccsc1)c1cccs1)c1c(F)cccc1F ZINC000390826396 564138455 /nfs/dbraw/zinc/13/84/55/564138455.db2.gz JVOQNCMGDMBZTB-HNNXBMFYSA-N 0 0 335.400 4.607 50 0 EJAARN O=C(Cc1c(F)cccc1Cl)NC1(c2cccs2)CCCC1 ZINC000390826581 564138456 /nfs/dbraw/zinc/13/84/56/564138456.db2.gz AOLLYQLVXQIACW-UHFFFAOYSA-N 0 0 337.847 4.669 50 0 EJAARN O=C(N[C@H](c1ccsc1)c1cccs1)c1c(F)cccc1F ZINC000390826397 564138472 /nfs/dbraw/zinc/13/84/72/564138472.db2.gz JVOQNCMGDMBZTB-OAHLLOKOSA-N 0 0 335.400 4.607 50 0 EJAARN CCOc1ccccc1C(=O)N[C@@H](c1ccsc1)c1cccs1 ZINC000390827062 564138508 /nfs/dbraw/zinc/13/85/08/564138508.db2.gz SUXPPXLJFMZZPT-KRWDZBQOSA-N 0 0 343.473 4.728 50 0 EJAARN O=C(Cc1ccccc1Cl)N[C@H](c1ccsc1)c1cccs1 ZINC000390827224 564138518 /nfs/dbraw/zinc/13/85/18/564138518.db2.gz VCCPSYQHPPLROA-QGZVFWFLSA-N 0 0 347.892 4.911 50 0 EJAARN COc1cccc2cc(C(=O)NCCCc3cc4ccccc4o3)oc21 ZINC000390832378 564138726 /nfs/dbraw/zinc/13/87/26/564138726.db2.gz ZCJNLCYIKAIQGO-UHFFFAOYSA-N 0 0 349.386 4.550 50 0 EJAARN O=C(Cc1csc(-c2ccccc2)n1)NCC1CCCCCCC1 ZINC000095364888 564139313 /nfs/dbraw/zinc/13/93/13/564139313.db2.gz TXPAWMKZBGGECR-UHFFFAOYSA-N 0 0 342.508 4.829 50 0 EJAARN Cc1ccc(C)c(-n2ccnc2SCc2ccn(C(C)C)n2)c1 ZINC000095397967 564139492 /nfs/dbraw/zinc/13/94/92/564139492.db2.gz JCMPNSFPNBHDFU-UHFFFAOYSA-N 0 0 326.469 4.559 50 0 EJAARN CN1C(=O)Cc2cc(-c3csc(C(C)(C)c4ccccc4)n3)ccc21 ZINC000095455747 564140605 /nfs/dbraw/zinc/14/06/05/564140605.db2.gz OEOOXXHAIFVVPJ-UHFFFAOYSA-N 0 0 348.471 4.655 50 0 EJAARN Cc1ccc(NC(=O)N2CCC(Cc3cccnc3)CC2)cc1Cl ZINC000095457613 564140633 /nfs/dbraw/zinc/14/06/33/564140633.db2.gz OHCLAXFXMALQGC-UHFFFAOYSA-N 0 0 343.858 4.530 50 0 EJAARN CCCCCc1ccc([C@@H](CC)N[C@@H](C)c2nnc3n2CCC3)cc1 ZINC000095940743 564141999 /nfs/dbraw/zinc/14/19/99/564141999.db2.gz GNKRTYNTCIBSJZ-QFBILLFUSA-N 0 0 340.515 4.759 50 0 EJAARN CC(C)(C)n1cc(NC(=O)C2c3ccccc3Oc3ccccc32)cn1 ZINC000095956733 564142535 /nfs/dbraw/zinc/14/25/35/564142535.db2.gz AWDQFLCNPWCZMV-UHFFFAOYSA-N 0 0 347.418 4.514 50 0 EJAARN CCO[C@@H](C)c1nc(CN[C@]2(C)CCCc3ccccc32)cs1 ZINC000095960508 564142721 /nfs/dbraw/zinc/14/27/21/564142721.db2.gz DBEZIRXABCBRRX-IFXJQAMLSA-N 0 0 330.497 4.582 50 0 EJAARN Cc1ccc2nc(C3CC3)cc(C(=O)N(C)[C@H](C)c3ccncc3)c2c1 ZINC000095963106 564142835 /nfs/dbraw/zinc/14/28/35/564142835.db2.gz HVFQKMWZQKHEAY-OAHLLOKOSA-N 0 0 345.446 4.649 50 0 EJAARN Cc1noc(C)c1[C@H](C)N[C@H](C)c1cc(Br)ccc1F ZINC000095968002 564143120 /nfs/dbraw/zinc/14/31/20/564143120.db2.gz WIZGCFOFHBHWJT-BDAKNGLRSA-N 0 0 341.224 4.605 50 0 EJAARN Cc1ccc(C(=O)c2cnc3ccc(F)cc3c2N2CCCCC2)cc1 ZINC000021158392 564143690 /nfs/dbraw/zinc/14/36/90/564143690.db2.gz GJOZBEJNIYLMQY-UHFFFAOYSA-N 0 0 348.421 4.904 50 0 EJAARN Cc1cc(Nc2ncnc3c4ccccc4oc32)nn1[C@@H](C)C1CC1 ZINC000096009798 564144660 /nfs/dbraw/zinc/14/46/60/564144660.db2.gz MOCJPMIRXFGKHG-LBPRGKRZSA-N 0 0 333.395 4.596 50 0 EJAARN O=C(CC/C=C\c1ccccc1)N(Cc1ccccc1)CC(F)F ZINC000096035283 564145118 /nfs/dbraw/zinc/14/51/18/564145118.db2.gz RBIGKJPSQYHDSU-XFFZJAGNSA-N 0 0 329.390 4.774 50 0 EJAARN O=C(c1cc2c(cccc2Cl)[nH]1)N1CCc2c3ccccc3[nH]c2C1 ZINC000096114348 564145416 /nfs/dbraw/zinc/14/54/16/564145416.db2.gz CGUZAMBPZOKZIU-UHFFFAOYSA-N 0 0 349.821 4.501 50 0 biogenic EJAARN O=C(NCc1ccccc1-c1ccsc1)c1c[nH]c2ccccc12 ZINC000096122937 564145635 /nfs/dbraw/zinc/14/56/35/564145635.db2.gz NPMIFJMYUYVJNY-UHFFFAOYSA-N 0 0 332.428 4.826 50 0 EJAARN O=C(NCc1ccc(F)cc1)c1ccc(Oc2ccccc2Cl)o1 ZINC000096182543 564145873 /nfs/dbraw/zinc/14/58/73/564145873.db2.gz QRNDLVNVMVTHNU-UHFFFAOYSA-N 0 0 345.757 4.794 50 0 EJAARN CC[C@@H](C)[C@H](NC(=O)CC(C)(C)C)c1nc(-c2ccc(C)cc2)no1 ZINC000096278319 564146304 /nfs/dbraw/zinc/14/63/04/564146304.db2.gz LAFMTBCWIPKGBS-PBHICJAKSA-N 0 0 343.471 4.685 50 0 EJAARN CCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)c1ccccc1Cl ZINC000096281955 564146352 /nfs/dbraw/zinc/14/63/52/564146352.db2.gz JPSMXRMXWNQMEM-UHFFFAOYSA-N 0 0 343.789 4.684 50 0 EJAARN CCCc1cc(=O)oc2c(C)c(O)c(-c3cc4ccccc4[nH]3)cc12 ZINC000096343745 564146828 /nfs/dbraw/zinc/14/68/28/564146828.db2.gz QUUBIGFJXHUWQP-UHFFFAOYSA-N 0 0 333.387 4.908 50 0 EJAARN COc1ccc2nc(/C=C\c3cnc(-c4ccccc4)nc3)sc2c1 ZINC000096401786 564147093 /nfs/dbraw/zinc/14/70/93/564147093.db2.gz BVTGDDHUTZJZJU-YFHOEESVSA-N 0 0 345.427 4.932 50 0 EJAARN O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)c1cccs1 ZINC000096408296 564147470 /nfs/dbraw/zinc/14/74/70/564147470.db2.gz ONAWQTPHQPMXLG-HSZRJFAPSA-N 0 0 347.505 4.582 50 0 EJAARN CCO[C@@H](C)c1nc(CC(=O)N(c2ccccc2C)C(C)C)cs1 ZINC000096409211 564147543 /nfs/dbraw/zinc/14/75/43/564147543.db2.gz VYAVKXGHWDXIMO-HNNXBMFYSA-N 0 0 346.496 4.533 50 0 EJAARN CO[C@@H](C)c1cccc(NC(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000096410634 564147649 /nfs/dbraw/zinc/14/76/49/564147649.db2.gz RRAXNSOLLZQJHR-AWEZNQCLSA-N 0 0 342.464 4.777 50 0 EJAARN CC(C)[C@@H]1CCCCN1C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000097164726 564149493 /nfs/dbraw/zinc/14/94/93/564149493.db2.gz WHNNBLSCDPSUES-SFHVURJKSA-N 0 0 339.439 4.916 50 0 EJAARN O=C(Nc1ccc2c(c1)CCC(=O)N2)c1ccc(-c2ccsc2)cc1 ZINC000225615412 564149985 /nfs/dbraw/zinc/14/99/85/564149985.db2.gz BGJPTYWNHAWHDJ-UHFFFAOYSA-N 0 0 348.427 4.552 50 0 EJAARN O=C(NCc1cccc2ccccc21)C1(c2ccccc2)CCCC1 ZINC000002512670 564150280 /nfs/dbraw/zinc/15/02/80/564150280.db2.gz LISJWEGJPXDATJ-UHFFFAOYSA-N 0 0 329.443 4.968 50 0 EJAARN O=C(N[C@@H]1Sc2ccccc2N=C1c1ccccc1)c1ccccc1 ZINC000028294056 564150909 /nfs/dbraw/zinc/15/09/09/564150909.db2.gz RSSZHFDUKPNHRG-OAQYLSRUSA-N 0 0 344.439 4.669 50 0 EJAARN COc1ccc(C(=O)c2ccc(Cl)cc2)c2c(OC)cccc12 ZINC000670417847 564151022 /nfs/dbraw/zinc/15/10/22/564151022.db2.gz TYAKDWNEJWYYOX-UHFFFAOYSA-N 0 0 326.779 4.741 50 0 EJAARN Cc1ccccc1NC(=O)CCCOc1ccc(Br)cc1 ZINC000002618112 564151149 /nfs/dbraw/zinc/15/11/49/564151149.db2.gz PEXCEGCCJUIJFW-UHFFFAOYSA-N 0 0 348.240 4.555 50 0 EJAARN Cc1cc(C(C)(C)C)ccc1OCC(=O)Nc1cc(F)ccc1F ZINC000002625680 564151322 /nfs/dbraw/zinc/15/13/22/564151322.db2.gz VWSNZZJTJIQVTO-UHFFFAOYSA-N 0 0 333.378 4.588 50 0 EJAARN Cc1ccc(CN2C(=O)c3ccccc3N[C@H]2C2CCCCC2)cc1 ZINC000002631627 564151457 /nfs/dbraw/zinc/15/14/57/564151457.db2.gz YDRUENLMTHNUPN-OAQYLSRUSA-N 0 0 334.463 4.969 50 0 EJAARN C[C@H]1CCc2c(sc3ncnc(OCc4ccc(F)cc4)c32)C1 ZINC000002640046 564151656 /nfs/dbraw/zinc/15/16/56/564151656.db2.gz XKTYNLFXXMDHAM-NSHDSACASA-N 0 0 328.412 4.534 50 0 EJAARN C[C@@H]1CCc2c(sc3ncnc(OCc4ccc(F)cc4)c32)C1 ZINC000002640047 564151668 /nfs/dbraw/zinc/15/16/68/564151668.db2.gz XKTYNLFXXMDHAM-LLVKDONJSA-N 0 0 328.412 4.534 50 0 EJAARN Cc1ccc2c(CC(=O)NCc3cccc(C(F)(F)F)c3)coc2c1 ZINC000002644826 564151777 /nfs/dbraw/zinc/15/17/77/564151777.db2.gz ZYPGIWKBNPSVBW-UHFFFAOYSA-N 0 0 347.336 4.619 50 0 EJAARN c1sc(NC[C@H]2CCCO2)nc1-c1ccc2c(c1)-c1ccccc1C2 ZINC000002647242 564151840 /nfs/dbraw/zinc/15/18/40/564151840.db2.gz FZWPUGASGOZZML-QGZVFWFLSA-N 0 0 348.471 4.972 50 0 EJAARN C[C@@H]1CCc2[nH]c3ccc(C(=O)NCCCc4ccccc4)cc3c2C1 ZINC000002647043 564151844 /nfs/dbraw/zinc/15/18/44/564151844.db2.gz LQMTWJKTVFVYMM-MRXNPFEDSA-N 0 0 346.474 4.655 50 0 EJAARN C[C@H](NC(=O)COc1ccc2oc3ccccc3c2c1)c1ccccc1 ZINC000002647909 564151851 /nfs/dbraw/zinc/15/18/51/564151851.db2.gz ONKPHUDIAMXQJQ-HNNXBMFYSA-N 0 0 345.398 4.842 50 0 EJAARN C[C@@H](OC(=O)c1c(F)cccc1F)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000002651150 564151904 /nfs/dbraw/zinc/15/19/04/564151904.db2.gz PCFMXSUNKLDEJV-GFCCVEGCSA-N 0 0 346.373 4.691 50 0 EJAARN Cc1cccc(OCCC(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC000002653561 564151938 /nfs/dbraw/zinc/15/19/38/564151938.db2.gz CJWUCFIPANEUGJ-UHFFFAOYSA-N 0 0 337.391 4.717 50 0 EJAARN COCc1c2ccccc2oc1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000002654381 564151957 /nfs/dbraw/zinc/15/19/57/564151957.db2.gz IUSBSZGJSLKNBR-UHFFFAOYSA-N 0 0 329.783 4.793 50 0 EJAARN COc1cc2ccccc2cc1C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000002709788 564152171 /nfs/dbraw/zinc/15/21/71/564152171.db2.gz ZNTFPGVQFIGJCM-UHFFFAOYSA-N 0 0 340.448 4.855 50 0 EJAARN Cc1ccccc1Cn1c2ccccc2nc1[C@@H](C)NC(=O)C(C)(C)C ZINC000002721325 564152265 /nfs/dbraw/zinc/15/22/65/564152265.db2.gz GEKDHBBFHDIHFL-MRXNPFEDSA-N 0 0 349.478 4.616 50 0 EJAARN Cc1ccc([C@H]2C[C@H](c3cccc4ccccc43)n3ncnc3N2)cc1 ZINC000002797222 564152705 /nfs/dbraw/zinc/15/27/05/564152705.db2.gz ASAXKNVZXXCIFJ-NHCUHLMSSA-N 0 0 340.430 4.886 50 0 EJAARN O=C(Nc1cccc(Cl)c1)[C@H]1[C@@H](c2ccccc2)C1(Cl)Cl ZINC000002907041 564152994 /nfs/dbraw/zinc/15/29/94/564152994.db2.gz YYQHBZPYYSOYHE-ZIAGYGMSSA-N 0 0 340.637 4.866 50 0 EJAARN COc1ccccc1[C@@H]1C[C@H](c2ccc(C(C)C)cc2)Nc2ncnn21 ZINC000002919418 564153037 /nfs/dbraw/zinc/15/30/37/564153037.db2.gz DNVYOFNGJIIWIQ-MOPGFXCFSA-N 0 0 348.450 4.556 50 0 EJAARN Cc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1C ZINC000002919580 564153047 /nfs/dbraw/zinc/15/30/47/564153047.db2.gz NIKLQXANSVAIHM-ROUUACIJSA-N 0 0 338.842 4.695 50 0 EJAARN Cc1ccc(CSCCC(=O)NCc2ccccc2Cl)cc1 ZINC000002943813 564153158 /nfs/dbraw/zinc/15/31/58/564153158.db2.gz OLQDXEOQYXGGNY-UHFFFAOYSA-N 0 0 333.884 4.588 50 0 EJAARN CCc1ccc(CNC(=O)CCSCc2cccc(Cl)c2)cc1 ZINC000002953848 564153759 /nfs/dbraw/zinc/15/37/59/564153759.db2.gz IXYUILQLYGPLSG-UHFFFAOYSA-N 0 0 347.911 4.842 50 0 EJAARN Cc1ccc(CCNC(=O)CCSCc2ccccc2Cl)cc1 ZINC000002953824 564153782 /nfs/dbraw/zinc/15/37/82/564153782.db2.gz CSMLNTHPMOBLSC-UHFFFAOYSA-N 0 0 347.911 4.631 50 0 EJAARN Cc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)c1C ZINC000057412064 564154014 /nfs/dbraw/zinc/15/40/14/564154014.db2.gz ZKOACDPXGQIKQX-UHFFFAOYSA-N 0 0 325.799 4.599 50 0 EJAARN CCc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000057412050 564154016 /nfs/dbraw/zinc/15/40/16/564154016.db2.gz NOETVOLDNKRWID-UHFFFAOYSA-N 0 0 325.799 4.545 50 0 EJAARN CCc1ccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1 ZINC000057412190 564154070 /nfs/dbraw/zinc/15/40/70/564154070.db2.gz QMQRCOSKBSWDDY-UHFFFAOYSA-N 0 0 325.799 4.545 50 0 EJAARN Cc1ccc(Cl)cc1NC(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC000057412659 564154124 /nfs/dbraw/zinc/15/41/24/564154124.db2.gz AJKHECUUOQJNPO-UHFFFAOYSA-N 0 0 346.217 4.944 50 0 EJAARN CSc1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)c1 ZINC000057412513 564154156 /nfs/dbraw/zinc/15/41/56/564154156.db2.gz OCYDVEPAMWDJMP-UHFFFAOYSA-N 0 0 343.839 4.704 50 0 EJAARN CCCCc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)cc1 ZINC000057477027 564154438 /nfs/dbraw/zinc/15/44/38/564154438.db2.gz LVMSLWSVSCOMDY-UHFFFAOYSA-N 0 0 333.435 4.980 50 0 EJAARN O=C(Cn1nc(-c2ccccc2)c2ccccc21)NC1CCCCCC1 ZINC000003030511 564154509 /nfs/dbraw/zinc/15/45/09/564154509.db2.gz POHNOTNROLPXMT-UHFFFAOYSA-N 0 0 347.462 4.542 50 0 EJAARN CCCCNC(=O)c1c2ccccc2nc(-c2ccccc2)c1CC ZINC000003040580 564154595 /nfs/dbraw/zinc/15/45/95/564154595.db2.gz ZJHYSVDEIBFAQD-UHFFFAOYSA-N 0 0 332.447 4.994 50 0 EJAARN Clc1ccc(-c2nnc3c4ccccc4nc(Cl)n23)c(Cl)c1 ZINC000003063787 564154916 /nfs/dbraw/zinc/15/49/16/564154916.db2.gz ITNFXKMKDARIJC-UHFFFAOYSA-N 0 0 349.608 4.905 50 0 EJAARN COc1cnc(-c2ccccn2)nc1Oc1cc(Cl)cc(Cl)c1 ZINC000003128560 564155343 /nfs/dbraw/zinc/15/53/43/564155343.db2.gz AYYIISGHJNPKBU-UHFFFAOYSA-N 0 0 348.189 4.646 50 0 EJAARN O=C(c1ccc(Cl)c(Cl)c1)N(c1ccccn1)c1ccccn1 ZINC000003169007 564155581 /nfs/dbraw/zinc/15/55/81/564155581.db2.gz CNQHHXZSCGPHQM-UHFFFAOYSA-N 0 0 344.201 4.762 50 0 EJAARN CCN(c1ccc(NC(=O)Nc2ccc(OC)cc2)cc1)C(C)C ZINC000057856222 564156209 /nfs/dbraw/zinc/15/62/09/564156209.db2.gz JVIXXBBBSYQGQB-UHFFFAOYSA-N 0 0 327.428 4.574 50 0 EJAARN COc1ccc(NC(=O)COc2ccc3oc4ccccc4c3c2)cc1 ZINC000003231128 564156349 /nfs/dbraw/zinc/15/63/49/564156349.db2.gz KIGJNRLYNNPQFM-UHFFFAOYSA-N 0 0 347.370 4.612 50 0 EJAARN Cc1ccccc1NC(=O)COc1ccc2oc3ccccc3c2c1 ZINC000003256425 564156633 /nfs/dbraw/zinc/15/66/33/564156633.db2.gz ZJDFFDASOQDRTL-UHFFFAOYSA-N 0 0 331.371 4.912 50 0 EJAARN O=C(OCc1ccc(Cl)cc1)c1ccccc1NCc1ccco1 ZINC000003274593 564156863 /nfs/dbraw/zinc/15/68/63/564156863.db2.gz LJBBHDHTQWOYDP-UHFFFAOYSA-N 0 0 341.794 4.902 50 0 EJAARN COc1cccc(-n2c(-c3ccccc3)cn3c4ccccc4nc32)c1 ZINC000003290244 564156993 /nfs/dbraw/zinc/15/69/93/564156993.db2.gz KINVHHSQUBRGBM-UHFFFAOYSA-N 0 0 339.398 4.954 50 0 EJAARN C[C@@H]1CCCN(C(=O)c2cc(-c3cccs3)nc3ccccc32)C1 ZINC000003294319 564157136 /nfs/dbraw/zinc/15/71/36/564157136.db2.gz XECIMUVJDYQHCB-CQSZACIVSA-N 0 0 336.460 4.835 50 0 EJAARN O=C(Nc1ccc(Cl)cc1)N[C@@H](c1ccco1)c1ccccc1 ZINC000058014498 564157220 /nfs/dbraw/zinc/15/72/20/564157220.db2.gz MUSIUWFWPYAXBR-QGZVFWFLSA-N 0 0 326.783 4.844 50 0 EJAARN CC(C)c1ccccc1NC(=O)CN(C)Cc1ccccc1Cl ZINC000003327147 564157363 /nfs/dbraw/zinc/15/73/63/564157363.db2.gz HGERQCADWAOSLW-UHFFFAOYSA-N 0 0 330.859 4.534 50 0 EJAARN O=C(Nc1ccccc1N1CCCCC1)c1ccc(OC(F)F)cc1 ZINC000003331885 564157392 /nfs/dbraw/zinc/15/73/92/564157392.db2.gz OHZMOBLYHQYYSA-UHFFFAOYSA-N 0 0 346.377 4.531 50 0 EJAARN Cc1ccc(NC(=S)N2CCC[C@@H](C(F)(F)F)C2)cc1Cl ZINC000003331094 564157409 /nfs/dbraw/zinc/15/74/09/564157409.db2.gz MRERGKMBAODNCI-SNVBAGLBSA-N 0 0 336.810 4.620 50 0 EJAARN Clc1cccc(CNc2nc(-c3cccnc3)nc3ccccc32)c1 ZINC000003348215 564157575 /nfs/dbraw/zinc/15/75/75/564157575.db2.gz FAXCFEBKHKKKLV-UHFFFAOYSA-N 0 0 346.821 4.957 50 0 EJAARN C[C@@H]1CCc2[nH]c3ccc(C(=O)N(C)Cc4cccs4)cc3c2C1 ZINC000003351257 564157609 /nfs/dbraw/zinc/15/76/09/564157609.db2.gz JIIAJWXEGZUDNK-CYBMUJFWSA-N 0 0 338.476 4.626 50 0 EJAARN COc1ccc([C@H](Nc2ncnc3sc(C)c(C)c32)C2CC2)cc1 ZINC000030767154 564157691 /nfs/dbraw/zinc/15/76/91/564157691.db2.gz NAGHBEDIBFPXTC-QGZVFWFLSA-N 0 0 339.464 4.880 50 0 EJAARN Cc1noc(C(C)C)c1C(=O)N[C@H]1CCC(C)(C)c2ccccc21 ZINC000058139326 564157768 /nfs/dbraw/zinc/15/77/68/564157768.db2.gz PXSNHURYIOSSPY-INIZCTEOSA-N 0 0 326.440 4.649 50 0 EJAARN CCC[C@@H](C)NC(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000058167841 564157876 /nfs/dbraw/zinc/15/78/76/564157876.db2.gz ONXAMPKUDNKDRI-CYBMUJFWSA-N 0 0 349.450 4.655 50 0 EJAARN O=C(COc1ccc(Cl)c2ccccc12)Nc1cccnc1Cl ZINC000003458292 564158250 /nfs/dbraw/zinc/15/82/50/564158250.db2.gz DDNWWEOGIUFFAL-UHFFFAOYSA-N 0 0 347.201 4.559 50 0 EJAARN Cc1cc(Cl)ccc1NC(=O)CSc1nc2ccccc2o1 ZINC000003503782 564158533 /nfs/dbraw/zinc/15/85/33/564158533.db2.gz YGNSDRIYMOLADL-UHFFFAOYSA-N 0 0 332.812 4.520 50 0 EJAARN CCc1ccc(C(=O)CCC(=O)Nc2ccc(C)c3ncccc23)cc1 ZINC000031082970 564158730 /nfs/dbraw/zinc/15/87/30/564158730.db2.gz WYXRLZFUZUDHMF-UHFFFAOYSA-N 0 0 346.430 4.707 50 0 EJAARN CC[C@@H]1c2ccsc2CCN1C(=O)Nc1nc2ccccc2s1 ZINC000031094997 564158808 /nfs/dbraw/zinc/15/88/08/564158808.db2.gz QWFSFIXPTKGGDI-CYBMUJFWSA-N 0 0 343.477 4.899 50 0 EJAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccccc1Br ZINC000003566698 564158969 /nfs/dbraw/zinc/15/89/69/564158969.db2.gz IHJRGLJPMFWIJC-UHFFFAOYSA-N 0 0 344.130 4.720 50 0 EJAARN CSc1ccccc1C(=O)Nc1ccc(C)cc1Br ZINC000003603677 564159176 /nfs/dbraw/zinc/15/91/76/564159176.db2.gz KJQPFRFNCIDFJO-UHFFFAOYSA-N 0 0 336.254 4.732 50 0 EJAARN Fc1cc2cccnc2c(CSc2ncnc3ccsc32)c1 ZINC000031620348 564159621 /nfs/dbraw/zinc/15/96/21/564159621.db2.gz ZYCQCLHVEJFACM-UHFFFAOYSA-N 0 0 327.409 4.671 50 0 EJAARN CC(C)=C[C@H]1[C@@H](C(=O)Nc2cccc(-c3ccnc(C)n3)c2)C1(C)C ZINC000031800554 564159865 /nfs/dbraw/zinc/15/98/65/564159865.db2.gz PVMHWBYPJBYGBG-HKUYNNGSSA-N 0 0 335.451 4.629 50 0 EJAARN CC(=O)c1sc(NC(=O)c2ccc(C)cc2)nc1-c1ccccc1 ZINC000004070022 564160313 /nfs/dbraw/zinc/16/03/13/564160313.db2.gz ZLJKLLGQZGUTLZ-UHFFFAOYSA-N 0 0 336.416 4.573 50 0 EJAARN CC(=O)O[C@@]1(C)CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004074043 564160370 /nfs/dbraw/zinc/16/03/70/564160370.db2.gz YKEIELWRIARSQU-MOQAAOHWSA-N 0 0 346.511 4.920 50 0 biogenic EJAARN CC(=O)C1=C(C)C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004082193 564160440 /nfs/dbraw/zinc/16/04/40/564160440.db2.gz WYOKDIKHIXWWOC-QFJIJFTOSA-N 0 0 328.496 4.826 50 0 biogenic EJAARN CC(C)(C)C[C@H](NC(=O)c1conc1-c1ccccc1)c1cccnc1 ZINC000670457207 564160450 /nfs/dbraw/zinc/16/04/50/564160450.db2.gz GAIDBLOHQZPYKZ-SFHVURJKSA-N 0 0 349.434 4.644 50 0 EJAARN COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@@]3(CC4=O)CC[C@H]12 ZINC000004104840 564160574 /nfs/dbraw/zinc/16/05/74/564160574.db2.gz WWTGKEKQZGKXDC-XNRDYXSJSA-N 0 0 332.484 4.532 50 0 biogenic,in-vitro EJAARN Oc1ccc(Br)c2ccc(/C=C/c3ccccc3)nc12 ZINC000004123414 564160794 /nfs/dbraw/zinc/16/07/94/564160794.db2.gz KFPUWEHIFCXYCB-VOTSOKGWSA-N 0 0 326.193 4.873 50 0 EJAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc2cc[nH]c2c1 ZINC000032343097 564161229 /nfs/dbraw/zinc/16/12/29/564161229.db2.gz AHRANLXFTYEHAJ-GFCCVEGCSA-N 0 0 335.432 4.611 50 0 EJAARN C[C@@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 ZINC000004311921 564161640 /nfs/dbraw/zinc/16/16/40/564161640.db2.gz UWBICEKKOYXZRG-CHBSCGLWSA-N 0 0 342.479 4.594 50 0 EJAARN O=C([O-])C1CCC([NH2+][C@H](c2c(Cl)cccc2Cl)C2CC2)CC1 ZINC000263435849 564161698 /nfs/dbraw/zinc/16/16/98/564161698.db2.gz UPGSGDVACISVAY-PPUFBPAQSA-N 0 0 342.266 4.678 50 0 EJAARN C[C@H](NC(=O)c1cc2c(s1)CCC2)c1cccc(C(F)(F)F)c1 ZINC000007986913 564161859 /nfs/dbraw/zinc/16/18/59/564161859.db2.gz IQQWTIFLZGTJPP-JTQLQIEISA-N 0 0 339.382 4.747 50 0 EJAARN COc1cc(C(C)=O)ccc1Oc1ccnc2cc(Cl)ccc21 ZINC000007989823 564161959 /nfs/dbraw/zinc/16/19/59/564161959.db2.gz BBDCMEXSQUEJDZ-UHFFFAOYSA-N 0 0 327.767 4.892 50 0 EJAARN COc1ccccc1CNC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000007997717 564162063 /nfs/dbraw/zinc/16/20/63/564162063.db2.gz XBSGWQBOFDYTHX-UHFFFAOYSA-N 0 0 341.794 4.539 50 0 EJAARN O=C(Nc1cccc(-c2nc(-c3cccs3)cs2)c1)C1CC1 ZINC000008042043 564162352 /nfs/dbraw/zinc/16/23/52/564162352.db2.gz WAOQSIMHPODMDZ-UHFFFAOYSA-N 0 0 326.446 4.887 50 0 EJAARN CSc1ccc(CN(C)CC(=O)Nc2ccccc2C(C)C)cc1 ZINC000008066292 564162470 /nfs/dbraw/zinc/16/24/70/564162470.db2.gz YMPHOQUORPMLTJ-UHFFFAOYSA-N 0 0 342.508 4.602 50 0 EJAARN O=C(c1cc(C2CC2)nc2ccccc21)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000008095390 564162662 /nfs/dbraw/zinc/16/26/62/564162662.db2.gz DPSAIWDJHIMADS-RDJZCZTQSA-N 0 0 334.463 4.765 50 0 EJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)C1(c2ccccc2)CCC1 ZINC000008113496 564162731 /nfs/dbraw/zinc/16/27/31/564162731.db2.gz GGDPPRZEZFRSQE-UHFFFAOYSA-N 0 0 335.325 4.646 50 0 EJAARN Cc1cccc(NC(=O)CN(C)Cc2ccc3ccccc3c2)c1C ZINC000008127331 564162865 /nfs/dbraw/zinc/16/28/65/564162865.db2.gz WJUZARHLJDRCER-UHFFFAOYSA-N 0 0 332.447 4.527 50 0 EJAARN COc1ccc(C)cc1NC(=O)c1cc(C2CC2)nc2ccccc21 ZINC000008157023 564163259 /nfs/dbraw/zinc/16/32/59/564163259.db2.gz GVIKAIUKNHKEIB-UHFFFAOYSA-N 0 0 332.403 4.682 50 0 EJAARN Fc1ccc(NC(=S)Nc2cccc3cnccc32)cc1Cl ZINC000008194339 564163492 /nfs/dbraw/zinc/16/34/92/564163492.db2.gz DOIXWXMTFOESSH-UHFFFAOYSA-N 0 0 331.803 4.836 50 0 EJAARN COc1cccc(-c2nc(CSc3ccccn3)cs2)c1OC ZINC000008194475 564163506 /nfs/dbraw/zinc/16/35/06/564163506.db2.gz BZEPFWYVLZZTRB-UHFFFAOYSA-N 0 0 344.461 4.515 50 0 EJAARN COc1ccc(NC(=O)c2sccc2-c2ccccc2)c(OC)c1 ZINC000008231995 564163720 /nfs/dbraw/zinc/16/37/20/564163720.db2.gz CBAYYSWYKJBBDM-UHFFFAOYSA-N 0 0 339.416 4.685 50 0 EJAARN Cc1occc1-c1nnc(SCc2cc(-c3ccccc3)on2)o1 ZINC000008277128 564163976 /nfs/dbraw/zinc/16/39/76/564163976.db2.gz ABRQNKWWPYDYBD-UHFFFAOYSA-N 0 0 339.376 4.585 50 0 EJAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc2ccccc2n1 ZINC000008279130 564164000 /nfs/dbraw/zinc/16/40/00/564164000.db2.gz GRXPACURQDDLPC-CYBMUJFWSA-N 0 0 347.443 4.678 50 0 EJAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cc2c(s1)CCC2 ZINC000008279859 564164007 /nfs/dbraw/zinc/16/40/07/564164007.db2.gz ILPRARPHRXIIEQ-NSHDSACASA-N 0 0 342.489 4.680 50 0 EJAARN COc1ccc(OC)c(-c2csc(NCc3ccc(F)cc3)n2)c1 ZINC000008298754 564164095 /nfs/dbraw/zinc/16/40/95/564164095.db2.gz FYYUYHGHXMGKDQ-UHFFFAOYSA-N 0 0 344.411 4.579 50 0 EJAARN O=C(Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2)C1CC1 ZINC000008310552 564164184 /nfs/dbraw/zinc/16/41/84/564164184.db2.gz BRGWWSLTVYPNBG-UHFFFAOYSA-N 0 0 337.448 4.519 50 0 EJAARN Cc1ccc(Cn2ncc3c2nc(-c2ccco2)cc3C(F)(F)F)o1 ZINC000008337905 564164540 /nfs/dbraw/zinc/16/45/40/564164540.db2.gz GAXZJVCDJYITSD-UHFFFAOYSA-N 0 0 347.296 4.660 50 0 EJAARN CC(C)(C)c1cc(NC(=O)c2sccc2-c2ccccc2)on1 ZINC000008345642 564164668 /nfs/dbraw/zinc/16/46/68/564164668.db2.gz RHKKAMRKDLSHDK-UHFFFAOYSA-N 0 0 326.421 4.953 50 0 EJAARN CCc1ccc(-c2noc(CN3CCC[C@H]3c3cccs3)n2)cc1 ZINC000008389182 564164881 /nfs/dbraw/zinc/16/48/81/564164881.db2.gz LERJZHCPQJFMJX-INIZCTEOSA-N 0 0 339.464 4.698 50 0 EJAARN O=C(N[C@@H](c1cccs1)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000008393309 564165042 /nfs/dbraw/zinc/16/50/42/564165042.db2.gz YWKRYZWYGVIEIM-QGZVFWFLSA-N 0 0 329.371 4.546 50 0 EJAARN CCc1noc(C)c1C(=O)Nc1ccccc1Oc1cccc(C)c1 ZINC000008395125 564165093 /nfs/dbraw/zinc/16/50/93/564165093.db2.gz OHJISQZBRJKZLP-UHFFFAOYSA-N 0 0 336.391 4.898 50 0 EJAARN O=C(Nc1ccccc1-c1ccccc1)c1cncn1-c1ccccc1 ZINC000008395236 564165114 /nfs/dbraw/zinc/16/51/14/564165114.db2.gz ONONQOMRULIRKL-UHFFFAOYSA-N 0 0 339.398 4.792 50 0 EJAARN C[C@H](c1ccccc1)N(C)C(=O)c1csc(-c2cccs2)n1 ZINC000008404824 564165160 /nfs/dbraw/zinc/16/51/60/564165160.db2.gz WEBAAGROLOGUQB-GFCCVEGCSA-N 0 0 328.462 4.705 50 0 EJAARN O=C(CCc1ccsc1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000008427852 564165219 /nfs/dbraw/zinc/16/52/19/564165219.db2.gz SZFIAZZXXIEMNT-UHFFFAOYSA-N 0 0 345.851 4.911 50 0 EJAARN O=C(OCc1nc2ccccc2o1)c1cc(C2CC2)nc2ccccc21 ZINC000008541041 564165628 /nfs/dbraw/zinc/16/56/28/564165628.db2.gz WQFMTEBGOPXULM-UHFFFAOYSA-N 0 0 344.370 4.610 50 0 EJAARN CC(C)Oc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 ZINC000008569200 564165714 /nfs/dbraw/zinc/16/57/14/564165714.db2.gz AWLJCZJZCDMLOH-ZDUSSCGKSA-N 0 0 333.815 4.533 50 0 EJAARN Cc1ccc(-c2cc(C(=O)Oc3ccccc3Cl)no2)cc1C ZINC000008586515 564165881 /nfs/dbraw/zinc/16/58/81/564165881.db2.gz JMOHWOQEJQIKPB-UHFFFAOYSA-N 0 0 327.767 4.831 50 0 EJAARN Cc1ccccc1C(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000008586579 564165888 /nfs/dbraw/zinc/16/58/88/564165888.db2.gz NZVAOAXFSZJJNF-UHFFFAOYSA-N 0 0 336.460 4.625 50 0 EJAARN CC(C)CC(=O)Nc1cc(-c2ccccc2F)nn1-c1ccccc1 ZINC000008598981 564165973 /nfs/dbraw/zinc/16/59/73/564165973.db2.gz YNSLZQVXYHYPDK-UHFFFAOYSA-N 0 0 337.398 4.663 50 0 EJAARN Cc1cccc(-c2cc(NC(=O)C(C)(C)C)n(-c3ccccc3)n2)c1 ZINC000008598881 564165985 /nfs/dbraw/zinc/16/59/85/564165985.db2.gz VXOSIDZQZFUFOK-UHFFFAOYSA-N 0 0 333.435 4.832 50 0 EJAARN O=C(/C=C/c1ccccc1Cl)Nc1nc(-c2cccs2)ns1 ZINC000008673407 564166270 /nfs/dbraw/zinc/16/62/70/564166270.db2.gz KGSOZLAVGWDJFW-BQYQJAHWSA-N 0 0 347.852 4.572 50 0 aggregator EJAARN CC[C@@H](C)c1ccc(OCCCn2c(CO)nc3ccccc32)cc1 ZINC000008710271 564166608 /nfs/dbraw/zinc/16/66/08/564166608.db2.gz DCTHJYMQWIVMAD-MRXNPFEDSA-N 0 0 338.451 4.511 50 0 EJAARN C[C@@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccc2ccccc2c1 ZINC000008748574 564167214 /nfs/dbraw/zinc/16/72/14/564167214.db2.gz FRSOXGNHNDLXOI-OAHLLOKOSA-N 0 0 328.415 4.741 50 0 EJAARN Cc1ccc2c(c1)CCCN2C(=O)c1cc2cc(Cl)ccc2o1 ZINC000008748526 564167243 /nfs/dbraw/zinc/16/72/43/564167243.db2.gz YUVPOVZZGMVDLT-UHFFFAOYSA-N 0 0 325.795 4.988 50 0 EJAARN COc1cccc(NC(=O)Cc2coc3cc(C)c(Cl)c(C)c23)c1 ZINC000039892925 564167650 /nfs/dbraw/zinc/16/76/50/564167650.db2.gz LSYOBYUWJVRIRK-UHFFFAOYSA-N 0 0 343.810 4.893 50 0 EJAARN Cc1cccc(NC2(c3nnnn3C3CCCCC3)CCCCC2)c1 ZINC000039931665 564167714 /nfs/dbraw/zinc/16/77/14/564167714.db2.gz MKKSHHXTBVXWJO-UHFFFAOYSA-N 0 0 339.487 4.758 50 0 EJAARN Cc1cccc(CSCC(=O)N[C@@H](C)c2cc3ccccc3o2)c1 ZINC000039980640 564167792 /nfs/dbraw/zinc/16/77/92/564167792.db2.gz PWJSUTQJXQAFHA-HNNXBMFYSA-N 0 0 339.460 4.852 50 0 EJAARN Fc1ccccc1NCc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000040040816 564167829 /nfs/dbraw/zinc/16/78/29/564167829.db2.gz HGGDARMCLGFTBW-UHFFFAOYSA-N 0 0 337.276 4.507 50 0 EJAARN COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(Cl)o2)cc1 ZINC000040005359 564167832 /nfs/dbraw/zinc/16/78/32/564167832.db2.gz HBGODBADLOOUSJ-OAHLLOKOSA-N 0 0 333.815 4.699 50 0 EJAARN COc1cc(C)ccc1OCc1csc(Cc2ccccc2)n1 ZINC000040116457 564168147 /nfs/dbraw/zinc/16/81/47/564168147.db2.gz UGSRTNVBWSFUCB-UHFFFAOYSA-N 0 0 325.433 4.630 50 0 EJAARN O=C(Nc1ccccc1COc1ccccc1)c1ccnc(Cl)c1 ZINC000040157009 564168420 /nfs/dbraw/zinc/16/84/20/564168420.db2.gz ZGIUXDIKKNDFMT-UHFFFAOYSA-N 0 0 338.794 4.566 50 0 EJAARN COc1ccc(C(C)=O)cc1CN([C@@H](C)c1ccccc1F)C1CC1 ZINC000040155708 564168426 /nfs/dbraw/zinc/16/84/26/564168426.db2.gz FXORLEQATIVRSY-AWEZNQCLSA-N 0 0 341.426 4.763 50 0 EJAARN CCOc1cc(C(=O)N[C@H](CC(C)C)c2cccs2)ccc1OC ZINC000040157315 564168445 /nfs/dbraw/zinc/16/84/45/564168445.db2.gz ZIJSJWSJXYIANC-OAHLLOKOSA-N 0 0 347.480 4.673 50 0 EJAARN Cc1ccc(C(=O)Nc2ccccc2-c2cn3c(n2)SCC3)c(C)c1 ZINC000244942742 564168573 /nfs/dbraw/zinc/16/85/73/564168573.db2.gz CXPFGDCVDRYZKO-UHFFFAOYSA-N 0 0 349.459 4.525 50 0 EJAARN COc1ccc(OC)c(NC(=O)N(Cc2ccc(C)s2)C(C)C)c1 ZINC000069379867 564169070 /nfs/dbraw/zinc/16/90/70/564169070.db2.gz HKNYEKQXYIUSJG-UHFFFAOYSA-N 0 0 348.468 4.516 50 0 EJAARN CSc1nnc(SCc2nc(-c3ccsc3)oc2C)s1 ZINC000069419139 564169379 /nfs/dbraw/zinc/16/93/79/564169379.db2.gz GMGRRJOGYFPYND-UHFFFAOYSA-N 0 0 341.508 4.577 50 0 EJAARN O=[S@@](Cc1csc(-c2ccco2)n1)Cc1cccc(Cl)c1 ZINC000069456378 564169678 /nfs/dbraw/zinc/16/96/78/564169678.db2.gz SSEPKUHHTJXXBU-NRFANRHFSA-N 0 0 337.853 4.505 50 0 EJAARN CC(C)c1nnc(CN(C)[C@@H](c2ccccc2)c2ccc(F)cc2)o1 ZINC000069484577 564169814 /nfs/dbraw/zinc/16/98/14/564169814.db2.gz FYEZKQHXQIHPCW-IBGZPJMESA-N 0 0 339.414 4.554 50 0 EJAARN C[C@@H](c1nnc(-c2ccccc2)o1)N(Cc1ccsc1)C1CC1 ZINC000069531271 564170267 /nfs/dbraw/zinc/17/02/67/564170267.db2.gz JHTYBCHSLLXJIS-ZDUSSCGKSA-N 0 0 325.437 4.524 50 0 EJAARN CN(CCC(F)(F)F)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000069558412 564170427 /nfs/dbraw/zinc/17/04/27/564170427.db2.gz LICOVTWEJVSAKB-UHFFFAOYSA-N 0 0 348.674 4.775 50 0 EJAARN Cc1ccc(C(=O)N(Cc2ccc(Cl)cc2)c2ccccn2)cc1 ZINC000009251774 564171895 /nfs/dbraw/zinc/17/18/95/564171895.db2.gz UHPAYWNUOAXTKS-UHFFFAOYSA-N 0 0 336.822 4.890 50 0 EJAARN O=[S@@](Cc1coc(-c2cccs2)n1)Cc1cccc(Cl)c1 ZINC000069808194 564172253 /nfs/dbraw/zinc/17/22/53/564172253.db2.gz ZEUPJBJIMLXNBN-NRFANRHFSA-N 0 0 337.853 4.505 50 0 EJAARN Cc1csc(N2N=C(c3ccccc3)C[C@@H]2c2cccs2)n1 ZINC000009304352 564172421 /nfs/dbraw/zinc/17/24/21/564172421.db2.gz HNDWXPSCCXFNQH-OAHLLOKOSA-N 0 0 325.462 4.869 50 0 EJAARN CCn1cc(NC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cn1 ZINC000070012957 564173294 /nfs/dbraw/zinc/17/32/94/564173294.db2.gz ZIVQWJMHXXZEAB-UHFFFAOYSA-N 0 0 347.422 4.675 50 0 EJAARN Cc1cccc2c1N[C@H](c1ccc(F)c(-c3cccs3)c1)NC2=O ZINC000070020157 564173358 /nfs/dbraw/zinc/17/33/58/564173358.db2.gz GQDCSMDFJPQCON-SFHVURJKSA-N 0 0 338.407 4.717 50 0 EJAARN Cc1ccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1F ZINC000009515299 564173998 /nfs/dbraw/zinc/17/39/98/564173998.db2.gz ZUPDBYPVJSDFTL-UHFFFAOYSA-N 0 0 348.349 4.788 50 0 EJAARN Cc1cc(C)cc(NC(=O)c2ncoc2-c2cccc(Cl)c2)c1 ZINC000009527385 564174035 /nfs/dbraw/zinc/17/40/35/564174035.db2.gz RAKWEWLEMRRXCH-UHFFFAOYSA-N 0 0 326.783 4.864 50 0 EJAARN C[C@@H]1CCCN(c2ncnc3scc(-c4ccc(F)cc4)c32)C1 ZINC000009527726 564174047 /nfs/dbraw/zinc/17/40/47/564174047.db2.gz DCHLYAXZTNRTOK-GFCCVEGCSA-N 0 0 327.428 4.734 50 0 EJAARN Cc1ccc(-c2onc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000009528949 564174058 /nfs/dbraw/zinc/17/40/58/564174058.db2.gz HJDKGWQIAUVPNL-UHFFFAOYSA-N 0 0 342.398 4.733 50 0 EJAARN O=C(CCn1ccc2ccc(Cl)cc21)Nc1ccc2cc[nH]c2c1 ZINC000070666359 564174295 /nfs/dbraw/zinc/17/42/95/564174295.db2.gz RJOHCFXYWRVDPF-UHFFFAOYSA-N 0 0 337.810 4.805 50 0 biogenic EJAARN O=C(CCc1nc2ccccc2s1)N1CCC[C@@H]1c1cccs1 ZINC000009614138 564174309 /nfs/dbraw/zinc/17/43/09/564174309.db2.gz OFJUTUMRUWNAMD-CQSZACIVSA-N 0 0 342.489 4.654 50 0 EJAARN Cc1cccc(C)c1NC(=S)NCCc1cccc2ccccc21 ZINC000041746225 564174313 /nfs/dbraw/zinc/17/43/13/564174313.db2.gz NRICIFOJYIDVJI-UHFFFAOYSA-N 0 0 334.488 4.986 50 0 EJAARN Cc1ccc(CN2C(=O)c3ccccc3[C@@H]2c2c[nH]c3ccccc32)o1 ZINC000009667295 564174395 /nfs/dbraw/zinc/17/43/95/564174395.db2.gz FETXIOAAAZAQRV-OAQYLSRUSA-N 0 0 342.398 4.815 50 0 EJAARN C[C@@H](Nc1ccc(Br)cc1)c1nnc(-c2ccccc2)o1 ZINC000009745192 564174586 /nfs/dbraw/zinc/17/45/86/564174586.db2.gz FJLOUVAXOZWFDP-LLVKDONJSA-N 0 0 344.212 4.672 50 0 EJAARN CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(F)cc(F)c1 ZINC000071844335 564175904 /nfs/dbraw/zinc/17/59/04/564175904.db2.gz XKTUJWNLQILUCO-OALUTQOASA-N 0 0 329.390 4.763 50 0 EJAARN c1cc([C@H]2CCCCO2)oc1CN1CCc2[nH]c3ccccc3c2C1 ZINC000077300523 564176699 /nfs/dbraw/zinc/17/66/99/564176699.db2.gz RWSGQCXTWFCRFO-HXUWFJFHSA-N 0 0 336.435 4.561 50 0 EJAARN c1ccc(COCCc2nc(-c3cccc4ccccc43)no2)cc1 ZINC000598861918 564177295 /nfs/dbraw/zinc/17/72/95/564177295.db2.gz OXCOONBEADWEGJ-UHFFFAOYSA-N 0 0 330.387 4.649 50 0 EJAARN Brc1cccc2c3cccc(Br)c3[nH]c21 ZINC000117204558 564177386 /nfs/dbraw/zinc/17/73/86/564177386.db2.gz SAGKZGMCGWAMEE-UHFFFAOYSA-N 0 0 325.003 4.846 50 0 EJAARN C=C[C@](C)(C[C@@H](OC)[C@]1(C)C2=C(CCC2=O)CC[C@H]1C)C(=O)CC ZINC000043762388 564177672 /nfs/dbraw/zinc/17/76/72/564177672.db2.gz ANCHGALOVXDQRM-CVDLLHPYSA-N 0 0 332.484 4.659 50 0 EJAARN CCSc1nnc(SCc2ncc(-c3ccccc3)o2)s1 ZINC000008037094 568415190 /nfs/dbraw/zinc/41/51/90/568415190.db2.gz GOSHNOBMKSCDIM-UHFFFAOYSA-N 0 0 335.479 4.597 50 0 EJAARN CC(C)(C)c1ccc(-c2nn3c(nnc3-c3ccccc3)s2)cc1 ZINC000002240494 568422289 /nfs/dbraw/zinc/42/22/89/568422289.db2.gz DZTCFCARTVTHFJ-UHFFFAOYSA-N 0 0 334.448 4.817 50 0 EJAARN CCOc1ccc(-c2cc(C(=O)Nc3c(C)cc(C)cc3C)n[nH]2)cc1 ZINC000051315395 214087669 /nfs/dbraw/zinc/08/76/69/214087669.db2.gz GVMKZVDXLVTDQL-UHFFFAOYSA-N 0 0 349.434 4.653 50 0 EJAARN Cc1c(F)cccc1NC(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000051354546 214089944 /nfs/dbraw/zinc/08/99/44/214089944.db2.gz CWIWHKXORYYSOW-UHFFFAOYSA-N 0 0 328.265 4.677 50 0 EJAARN O=C(Nc1cccc(Br)c1)Nc1ccc(Cl)cc1F ZINC000051354356 214090073 /nfs/dbraw/zinc/09/00/73/214090073.db2.gz VQOCWYXZSASPBI-UHFFFAOYSA-N 0 0 343.583 4.886 50 0 EJAARN CCc1cccc(C)c1Nc1c(-c2ccc(C)o2)nc2ncccn21 ZINC000004734319 210263665 /nfs/dbraw/zinc/26/36/65/210263665.db2.gz GMEFTNWLQQTPIY-UHFFFAOYSA-N 0 0 332.407 4.912 50 0 EJAARN Cc1ccc(Cl)cc1-n1nnc(-c2ccc(C(C)(C)C)cc2)n1 ZINC000006743142 201694077 /nfs/dbraw/zinc/69/40/77/201694077.db2.gz AVXVWDCEHFGEFG-UHFFFAOYSA-N 0 0 326.831 4.589 50 0 EJAARN CC[C@H](O)c1nc2ccccc2n1CCOc1ccc(Cl)c(C)c1 ZINC000006745840 201694913 /nfs/dbraw/zinc/69/49/13/201694913.db2.gz YNJFIJHXLPDZSO-SFHVURJKSA-N 0 0 344.842 4.521 50 0 EJAARN O=Cc1c2cc(OCc3ccc(Cl)nc3)ccc2oc1C1CC1 ZINC000052530231 214132923 /nfs/dbraw/zinc/13/29/23/214132923.db2.gz PNKHVCKNLXQIJK-UHFFFAOYSA-N 0 0 327.767 4.750 50 0 EJAARN O=C(Nc1cccc2cnccc21)N[C@H]1CCSc2ccccc21 ZINC000053962560 214207415 /nfs/dbraw/zinc/20/74/15/214207415.db2.gz PKJPDIQLFSHGPO-KRWDZBQOSA-N 0 0 335.432 4.593 50 0 EJAARN C[C@H](NC(=O)Nc1cccc2cnccc21)c1cc2ccccc2o1 ZINC000053985556 214209216 /nfs/dbraw/zinc/20/92/16/214209216.db2.gz GQCYATWVUXLCII-ZDUSSCGKSA-N 0 0 331.375 4.864 50 0 EJAARN COc1ccc(Nc2ccc(NC(=S)NC3CCCC3)cc2)cc1 ZINC000004702292 210252740 /nfs/dbraw/zinc/25/27/40/210252740.db2.gz VJANYNBNBZTPEO-UHFFFAOYSA-N 0 0 341.480 4.668 50 0 EJAARN CC[C@@H](NC(=O)N[C@@H]1CCCOc2ccc(F)cc21)c1cccs1 ZINC000054783219 214255079 /nfs/dbraw/zinc/25/50/79/214255079.db2.gz RSGVVVAKOLFAKS-HUUCEWRRSA-N 0 0 348.443 4.551 50 0 EJAARN C[C@H](NC(=O)Cc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000004699748 210251660 /nfs/dbraw/zinc/25/16/60/210251660.db2.gz QMUSXEVVGOSOSK-UGFPPAMCSA-N 0 0 331.887 4.604 50 0 EJAARN O=C(Nc1cccc2ccccc21)N1CCC(c2ccc(O)cc2)CC1 ZINC000055101924 214273408 /nfs/dbraw/zinc/27/34/08/214273408.db2.gz FHOCCCPHRDAVSD-UHFFFAOYSA-N 0 0 346.430 4.957 50 0 EJAARN COC(=O)c1ccc(-c2ccc(OCc3ccccc3)cc2)c(F)c1 ZINC000097757104 219054937 /nfs/dbraw/zinc/05/49/37/219054937.db2.gz CJKPRZJGOKLODG-UHFFFAOYSA-N 0 0 336.362 4.858 50 0 EJAARN CC[C@@H](C)N(Cc1ccsc1)C(=O)C1(c2ccc(F)cc2)CC1 ZINC000055343112 214310692 /nfs/dbraw/zinc/31/06/92/214310692.db2.gz PKCIUPJPXBISQU-CQSZACIVSA-N 0 0 331.456 4.746 50 0 EJAARN O=C(Nc1nc2ccc(F)cc2s1)c1cc(Cl)ccc1Cl ZINC000006926758 201706699 /nfs/dbraw/zinc/70/66/99/201706699.db2.gz CMITWIZEHZBJQU-UHFFFAOYSA-N 0 0 341.194 4.995 50 0 EJAARN O=C(C=C1CCCCC1)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000056013215 214352908 /nfs/dbraw/zinc/35/29/08/214352908.db2.gz WSNFQJSSYAGOOS-UHFFFAOYSA-N 0 0 334.419 4.768 50 0 EJAARN C[C@H](c1ccco1)N(C(=O)c1csc(-c2ccsc2)n1)C1CC1 ZINC000056183123 214364442 /nfs/dbraw/zinc/36/44/42/214364442.db2.gz WPMIQICLXBJOOZ-LLVKDONJSA-N 0 0 344.461 4.830 50 0 EJAARN CSc1nsc(SC)c1NC(=O)Nc1ccc(C)cc1 ZINC000004681202 210245780 /nfs/dbraw/zinc/24/57/80/210245780.db2.gz SRMRKJPIHZQHJE-UHFFFAOYSA-N 0 0 325.484 4.539 50 0 EJAARN Cc1noc([C@@H](C)SCc2csc(-c3ccc(F)cc3)n2)n1 ZINC000056232964 214367101 /nfs/dbraw/zinc/36/71/01/214367101.db2.gz ZNUMVQSEPWTMKP-SECBINFHSA-N 0 0 335.429 4.635 50 0 EJAARN Cc1cc(NC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)no1 ZINC000056329585 214371168 /nfs/dbraw/zinc/37/11/68/214371168.db2.gz LEVDWERJFPQTAR-MRXNPFEDSA-N 0 0 327.428 4.650 50 0 EJAARN CCCCCN=C1NC(=Cc2ccccc2)C(=O)N1c1ccc(C)cc1 ZINC000004664715 210241592 /nfs/dbraw/zinc/24/15/92/210241592.db2.gz JTTAVTJCUPGWJT-SILNSSARSA-N 0 0 347.462 4.519 50 0 EJAARN Cc1cc(O)ccc1NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000004666259 210241605 /nfs/dbraw/zinc/24/16/05/210241605.db2.gz MKBAAASRRUQBNR-UHFFFAOYSA-N 0 0 331.415 4.861 50 0 EJAARN O=S(=O)(CCc1ccccc1Cl)Cc1cccc2ccccc21 ZINC000058175664 214493373 /nfs/dbraw/zinc/49/33/73/214493373.db2.gz YFFTVUUTXXSLMI-UHFFFAOYSA-N 0 0 344.863 4.651 50 0 EJAARN COc1ccc2c(c1)SC[C@@]1(C)C2=CC[C@@]2(C)C(=O)CC[C@]21C ZINC000004666766 210241158 /nfs/dbraw/zinc/24/11/58/210241158.db2.gz QQHXASQOUYMTQW-SLFFLAALSA-N 0 0 328.477 4.970 50 0 EJAARN Cc1ccc(N(C(=O)c2cncc(Br)c2)C(C)C)c(C)c1 ZINC000058155892 214484662 /nfs/dbraw/zinc/48/46/62/214484662.db2.gz UTDQPOBEMIGPPT-UHFFFAOYSA-N 0 0 347.256 4.516 50 0 EJAARN O=[S@](Cc1cccc(Cl)c1)Cc1cccc(C(F)(F)F)c1 ZINC000058203482 214503372 /nfs/dbraw/zinc/50/33/72/214503372.db2.gz PQSYIQQTQRTVCA-OAQYLSRUSA-N 0 0 332.774 4.808 50 0 EJAARN Cc1cccn2cc(-c3cccc(NC(=O)Nc4ccccc4)c3)nc12 ZINC000004649868 210237432 /nfs/dbraw/zinc/23/74/32/210237432.db2.gz CCRJODAYSKBFEW-UHFFFAOYSA-N 0 0 342.402 4.954 50 0 EJAARN CCOC(=O)c1c2c(sc1NC(=O)C(C)(C)C)CCCCCC2 ZINC000004628642 210235632 /nfs/dbraw/zinc/23/56/32/210235632.db2.gz XKNBXHHHCHUMHS-UHFFFAOYSA-N 0 0 337.485 4.568 50 0 EJAARN O=C(N[C@H]1CCc2ccccc21)c1sccc1-c1ccc(F)cc1 ZINC000058423808 214582769 /nfs/dbraw/zinc/58/27/69/214582769.db2.gz BRYLPMASGAZIDY-SFHVURJKSA-N 0 0 337.419 4.972 50 0 EJAARN CCCn1c(=O)c2ccccc2nc1SCc1ccccc1Cl ZINC000059094191 214614076 /nfs/dbraw/zinc/61/40/76/214614076.db2.gz AGWINAWXNZNIQY-UHFFFAOYSA-N 0 0 344.867 4.752 50 0 EJAARN CCc1ccc(/C(C)=C\C(=O)NCc2nc3ccccc3s2)cc1 ZINC000098056018 219075125 /nfs/dbraw/zinc/07/51/25/219075125.db2.gz HDPNTAXDOUZSHO-OWBHPGMISA-N 0 0 336.460 4.578 50 0 EJAARN O=C(CCc1ccccc1)Nc1c(-c2ccccc2)nc2ccccn21 ZINC000004597451 210229273 /nfs/dbraw/zinc/22/92/73/210229273.db2.gz GTRMPKOQOQLMKP-UHFFFAOYSA-N 0 0 341.414 4.573 50 0 EJAARN CCCCc1ccc(C2=N/C(=C\c3sccc3C)C(=O)O2)cc1 ZINC000004589486 210227665 /nfs/dbraw/zinc/22/76/65/210227665.db2.gz OQYQQCBWMJHUDV-VBKFSLOCSA-N 0 0 325.433 4.744 50 0 EJAARN CCSc1cccc(C(=O)Nc2nc3c(cccc3F)s2)c1 ZINC000004585793 210227464 /nfs/dbraw/zinc/22/74/64/210227464.db2.gz LKNHJRXZMCOSLH-UHFFFAOYSA-N 0 0 332.425 4.800 50 0 EJAARN CCOc1ccc2oc(=O)cc(-c3cc4cccc(OC)c4o3)c2c1 ZINC000004586220 210227614 /nfs/dbraw/zinc/22/76/14/210227614.db2.gz SQVFSFQKHVFNGX-UHFFFAOYSA-N 0 0 336.343 4.614 50 0 biogenic EJAARN O=C(Nc1ccc(Br)cc1)c1cccc2c1CCCC2 ZINC000098073084 219078478 /nfs/dbraw/zinc/07/84/78/219078478.db2.gz GAJPCSIJKFSWNR-UHFFFAOYSA-N 0 0 330.225 4.580 50 0 EJAARN CC(C)(C)n1ncc2c1NC(=O)C[C@@H]2c1cccc(Br)c1 ZINC000049545047 214016798 /nfs/dbraw/zinc/01/67/98/214016798.db2.gz FEVGLDZXDQCOOG-GFCCVEGCSA-N 0 0 348.244 4.524 50 0 EJAARN CCOc1ccccc1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[C@H](C)C3 ZINC000004571626 210225462 /nfs/dbraw/zinc/22/54/62/210225462.db2.gz OJHIAYJMXSPZDW-GTNSWQLSSA-N 0 0 342.464 4.701 50 0 EJAARN C[C@@H](NC(=O)NC1(c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000004577439 210224437 /nfs/dbraw/zinc/22/44/37/210224437.db2.gz OMSPNVOUALJYAS-NEFAXPCMSA-N 0 0 338.495 4.580 50 0 EJAARN CC(C)c1ccc(-c2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)cc1 ZINC000004565832 210221784 /nfs/dbraw/zinc/22/17/84/210221784.db2.gz LGQMYAMNRMSDQN-LBPRGKRZSA-N 0 0 338.476 4.900 50 0 EJAARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(F)cc2)N3)C1 ZINC000004545462 210218841 /nfs/dbraw/zinc/21/88/41/210218841.db2.gz HBDHUZYIASECNZ-HWPZZCPQSA-N 0 0 330.428 4.831 50 0 EJAARN Cc1cc(C)cc(NC(=O)c2c3ccccc3nc3c2CCCC3)c1 ZINC000004542251 210218193 /nfs/dbraw/zinc/21/81/93/210218193.db2.gz FEZPPZRYRGLWLX-UHFFFAOYSA-N 0 0 330.431 4.983 50 0 EJAARN CCc1cccc(C)c1NC(=O)/C=C/c1cccc(OC)c1Cl ZINC000004542732 210217972 /nfs/dbraw/zinc/21/79/72/210217972.db2.gz ZSPYPTZCNGHDSK-VAWYXSNFSA-N 0 0 329.827 4.871 50 0 EJAARN C/C(=C\C(=O)Nc1cccc(C(F)(F)F)c1)NCc1ccc(C)cc1 ZINC000100095412 219090933 /nfs/dbraw/zinc/09/09/33/219090933.db2.gz QRANTVAHJLWDJV-GXDHUFHOSA-N 0 0 348.368 4.646 50 0 EJAARN CC[C@@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)c(Cl)c1 ZINC000004520041 210212689 /nfs/dbraw/zinc/21/26/89/210212689.db2.gz QQHOZSUTJNAMJZ-SNVBAGLBSA-N 0 0 336.844 4.638 50 0 EJAARN Cc1nc2cc(NC(=O)CCSc3ccc(F)cc3)ccc2s1 ZINC000004496821 210203008 /nfs/dbraw/zinc/20/30/08/210203008.db2.gz SEIJIMRTMPYYKX-UHFFFAOYSA-N 0 0 346.452 4.865 50 0 EJAARN COc1cccc([C@@H]2CC(=O)Nc3c(C)c(C)ccc32)c1OC(C)C ZINC000004488804 210202575 /nfs/dbraw/zinc/20/25/75/210202575.db2.gz JZYMJWHCXFDLQM-QGZVFWFLSA-N 0 0 339.435 4.573 50 0 EJAARN CC[C@H](C)c1ccc(-n2c(=O)c3cc(Cl)ccc3[nH]c2=S)cc1 ZINC000100435642 219099337 /nfs/dbraw/zinc/09/93/37/219099337.db2.gz MPEVBFOPPVHBJP-NSHDSACASA-N 0 0 344.867 4.841 50 0 EJAARN Cc1ccccc1C(=O)Nc1nnc(-c2cc(Cl)ccc2Cl)o1 ZINC000004479429 210198477 /nfs/dbraw/zinc/19/84/77/210198477.db2.gz FBDGTPAINUYKLQ-UHFFFAOYSA-N 0 0 348.189 4.604 50 0 EJAARN Clc1ccc([C@@H]2CC(c3ccccc3)=Nc3ncnn32)c(Cl)c1 ZINC000100702274 219103965 /nfs/dbraw/zinc/10/39/65/219103965.db2.gz UHRPEROKXVXBOA-INIZCTEOSA-N 0 0 343.217 4.641 50 0 EJAARN Cc1cccc(Nc2c(C(=O)N3CCCC3)cnc3ccc(F)cc32)c1 ZINC000064471785 214787850 /nfs/dbraw/zinc/78/78/50/214787850.db2.gz IAKHAFZLKNESCX-UHFFFAOYSA-N 0 0 349.409 4.662 50 0 EJAARN Cc1ccc(Nc2cc(C(=O)N3CCCC3)nc3ccc(C)cc32)cc1 ZINC000064568387 214793668 /nfs/dbraw/zinc/79/36/68/214793668.db2.gz GASXZRGPHHLWKC-UHFFFAOYSA-N 0 0 345.446 4.831 50 0 EJAARN O=C(c1cc(Nc2ccc(F)cc2)c2ccccc2n1)N1CCCCC1 ZINC000064568361 214793927 /nfs/dbraw/zinc/79/39/27/214793927.db2.gz YERWKLKYAWUWRQ-UHFFFAOYSA-N 0 0 349.409 4.744 50 0 EJAARN O=C(Nc1ccc(F)c(Cl)c1)c1csc(-c2cccs2)n1 ZINC000064676406 214800338 /nfs/dbraw/zinc/80/03/38/214800338.db2.gz RKSOOKOKVGOUCH-UHFFFAOYSA-N 0 0 338.816 4.916 50 0 EJAARN CCc1nc(-c2ccc(C(=O)NC3CCCCCC3)cc2)cs1 ZINC000064677412 214800650 /nfs/dbraw/zinc/80/06/50/214800650.db2.gz HDQKWFHOEBTUIC-UHFFFAOYSA-N 0 0 328.481 4.825 50 0 EJAARN FC(F)(F)Oc1ccc(/C=C/c2nc(-c3cccs3)no2)cc1 ZINC000004390587 210186594 /nfs/dbraw/zinc/18/65/94/210186594.db2.gz AUZYEMUIIOYODD-VMPITWQZSA-N 0 0 338.310 4.867 50 0 EJAARN 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4.526 50 0 EJAARN Cc1ccc(-c2noc3nc(C)cc(C(=O)N4CCCC[C@H]4C)c32)cc1 ZINC000036618379 202327517 /nfs/dbraw/zinc/32/75/17/202327517.db2.gz OXWYFWCODHDWJI-OAHLLOKOSA-N 0 0 349.434 4.521 50 0 EJAARN Cc1nn(C(C)C)c(C)c1NC(=O)c1ccc(Oc2ccccc2)o1 ZINC000072260073 216085614 /nfs/dbraw/zinc/08/56/14/216085614.db2.gz DFRKQOKIZYKQGD-UHFFFAOYSA-N 0 0 339.395 4.718 50 0 EJAARN C[C@@H](NCc1cnn(C(C)(C)C)c1)c1nc(-c2ccccc2)cs1 ZINC000072271303 216095160 /nfs/dbraw/zinc/09/51/60/216095160.db2.gz NMUOIYOSPNBQHQ-CQSZACIVSA-N 0 0 340.496 4.612 50 0 EJAARN CC(C)=CCn1c(C(=O)NCc2ccccc2)cc2sc(C)cc21 ZINC000037525921 202345916 /nfs/dbraw/zinc/34/59/16/202345916.db2.gz YZDONUAFIFNLTO-UHFFFAOYSA-N 0 0 338.476 4.907 50 0 EJAARN CCn1nc(C)c(NC(=O)c2cc(-c3cccs3)cs2)c1C ZINC000072243206 202357689 /nfs/dbraw/zinc/35/76/89/202357689.db2.gz LYESSMHSNYATKX-UHFFFAOYSA-N 0 0 331.466 4.562 50 0 EJAARN COc1c(Br)cc(-c2ccccc2)cc1Br ZINC000000405077 209571513 /nfs/dbraw/zinc/57/15/13/209571513.db2.gz ADHLXWXIHZFYMC-UHFFFAOYSA-N 0 0 342.030 4.887 50 0 EJAARN CCOC(=O)c1ccc(NC(=O)Oc2ccc3ccccc3c2)cc1 ZINC000000399750 209569813 /nfs/dbraw/zinc/56/98/13/209569813.db2.gz STJAJLFDTBJMDC-UHFFFAOYSA-N 0 0 335.359 4.627 50 0 EJAARN c1ccc2c(c1)CCC[C@@H]2Sc1nnc(-c2ccncc2)n1C1CC1 ZINC000077900962 202394298 /nfs/dbraw/zinc/39/42/98/202394298.db2.gz GMSFAFZAGZOMRH-SFHVURJKSA-N 0 0 348.475 4.845 50 0 EJAARN O=C(Nc1ccc(Br)cc1)Oc1cccc2cccnc21 ZINC000000395156 209567311 /nfs/dbraw/zinc/56/73/11/209567311.db2.gz AXZYQXKNUBQTGN-UHFFFAOYSA-N 0 0 343.180 4.608 50 0 EJAARN COc1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1OC ZINC000000387558 209566405 /nfs/dbraw/zinc/56/64/05/209566405.db2.gz WQFWLPFTUVYYOL-UHFFFAOYSA-N 0 0 342.398 4.981 50 0 EJAARN COCc1cccc(NC(=O)N2CCCCC[C@@H]2c2ccco2)c1 ZINC000077264456 202391293 /nfs/dbraw/zinc/39/12/93/202391293.db2.gz OTOFYFFHJWPXQQ-QGZVFWFLSA-N 0 0 328.412 4.575 50 0 EJAARN CCn1c(C)c(C)c2cc(C(=O)Nc3ccc(F)c(F)c3)ccc21 ZINC000000355658 209549107 /nfs/dbraw/zinc/54/91/07/209549107.db2.gz YJTHHNJHTVYAGL-UHFFFAOYSA-N 0 0 328.362 4.809 50 0 EJAARN CCc1cc(C(=O)OC)c(NC(=O)c2cccc3ccccc32)s1 ZINC000000355511 209548875 /nfs/dbraw/zinc/54/88/75/209548875.db2.gz YRGDXZMDQIRBQZ-UHFFFAOYSA-N 0 0 339.416 4.503 50 0 EJAARN Cc1ccccc1/C=C1/N=C(c2ccc(Cl)cc2Cl)OC1=O ZINC000000356204 209548329 /nfs/dbraw/zinc/54/83/29/209548329.db2.gz WZJNDWBZPCNMOV-OVCLIPMQSA-N 0 0 332.186 4.646 50 0 EJAARN Cc1ccc2c(c1)-c1nc(C3CC3)nn1[C@H](c1ccc(Cl)cc1)N2 ZINC000040156517 202427535 /nfs/dbraw/zinc/42/75/35/202427535.db2.gz QRMMWUVWLRFKKG-GOSISDBHSA-N 0 0 336.826 4.757 50 0 EJAARN O=c1c(Sc2ccc(Cl)cc2)cc(Cl)nn1-c1ccccc1 ZINC000000343688 209542563 /nfs/dbraw/zinc/54/25/63/209542563.db2.gz BSHSAMAHIJAWKO-UHFFFAOYSA-N 0 0 349.242 4.691 50 0 EJAARN CCSc1ccc2nc(-c3ccc(Br)cc3)cn2c1 ZINC000000337766 209540608 /nfs/dbraw/zinc/54/06/08/209540608.db2.gz MHSTZOUFFVHSFQ-UHFFFAOYSA-N 0 0 333.254 4.876 50 0 EJAARN CC(C)Oc1ccc(C(=O)Nc2ccc3c4c(cccc42)CC3)cc1 ZINC000000316519 209533196 /nfs/dbraw/zinc/53/31/96/209533196.db2.gz CLNRVUDTATWOQC-UHFFFAOYSA-N 0 0 331.415 4.978 50 0 EJAARN Ic1c(-c2ccccc2)noc1-c1ccccc1 ZINC000000288972 209520023 /nfs/dbraw/zinc/52/00/23/209520023.db2.gz BCNDCWAZCSFBDY-UHFFFAOYSA-N 0 0 347.155 4.613 50 0 EJAARN CCc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000000282021 209517037 /nfs/dbraw/zinc/51/70/37/209517037.db2.gz XILUPFKISHRLCE-LLVKDONJSA-N 0 0 338.234 4.962 50 0 EJAARN C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)COc2ccc3ccccc3c2)o1 ZINC000029885430 212683754 /nfs/dbraw/zinc/68/37/54/212683754.db2.gz QQXDNBGBKZVMIL-MGPUTAFESA-N 0 0 349.430 4.594 50 0 EJAARN CCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(CC)cc2)C1 ZINC000000252015 209505125 /nfs/dbraw/zinc/50/51/25/209505125.db2.gz BXCIBDJQGPYSQC-QGZVFWFLSA-N 0 0 347.462 4.529 50 0 EJAARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccccc1 ZINC000000251162 209504970 /nfs/dbraw/zinc/50/49/70/209504970.db2.gz IUXBGCZGJQVUBJ-UHFFFAOYSA-N 0 0 335.790 4.823 50 0 EJAARN COc1cc2c(cc1NC(=O)CCc1cccnc1)oc1ccccc12 ZINC000029473671 212667881 /nfs/dbraw/zinc/66/78/81/212667881.db2.gz CCCXYFVREOFFPJ-UHFFFAOYSA-N 0 0 346.386 4.561 50 0 EJAARN c1coc(COCc2cccc(CNc3ncnc4ccccc43)c2)c1 ZINC000029626195 212675185 /nfs/dbraw/zinc/67/51/85/212675185.db2.gz SUTHHAIQAREGLH-UHFFFAOYSA-N 0 0 345.402 4.552 50 0 EJAARN CCC(=O)C[C@H](Sc1cc(=O)oc2ccccc21)c1ccccc1 ZINC000000229996 209497294 /nfs/dbraw/zinc/49/72/94/209497294.db2.gz WWNYVGXZPUBTRV-SFHVURJKSA-N 0 0 338.428 4.996 50 0 EJAARN Cc1ccc2ncc(S(=O)(=O)c3ccc(C)c(C)c3)c(Cl)c2c1 ZINC000072329814 216153617 /nfs/dbraw/zinc/15/36/17/216153617.db2.gz ZVXLQSSXQDUTHZ-UHFFFAOYSA-N 0 0 345.851 4.646 50 0 EJAARN S=C(Nc1ccccc1Cl)N1CCCC[C@@H]1c1cccnc1 ZINC000000240165 209498991 /nfs/dbraw/zinc/49/89/91/209498991.db2.gz QAODBNLDZKJGNJ-MRXNPFEDSA-N 0 0 331.872 4.659 50 0 biogenic EJAARN C[C@]1(C(=O)Nc2ccc(OC3CCCC3)cc2)CC1(Cl)Cl ZINC000029025985 212649445 /nfs/dbraw/zinc/64/94/45/212649445.db2.gz GRGVQIMKYSPIRD-OAHLLOKOSA-N 0 0 328.239 4.530 50 0 EJAARN CCCN(CCC)C(=O)C[C@@H](c1ccccc1)c1cc(C)ccc1O ZINC000000211521 209486543 /nfs/dbraw/zinc/48/65/43/209486543.db2.gz XPLXRMQVDLNJAX-IBGZPJMESA-N 0 0 339.479 4.871 50 0 EJAARN CC(C)(C)c1ccc(-c2cc3ncc(-c4ccccc4)c(N)n3n2)cc1 ZINC000000208710 209484561 /nfs/dbraw/zinc/48/45/61/209484561.db2.gz QPKJGZJYNJUGBJ-UHFFFAOYSA-N 0 0 342.446 4.943 50 0 EJAARN Cc1nn(C(=O)c2sc3ccccc3c2Cl)c(C)c1Cl ZINC000000191576 209475466 /nfs/dbraw/zinc/47/54/66/209475466.db2.gz GJEPFMZLVSAUHD-UHFFFAOYSA-N 0 0 325.220 4.710 50 0 EJAARN CC(C)c1ccc([C@@H]2CC(=O)Nc3c2cnn3Cc2ccco2)cc1 ZINC000072402941 216195208 /nfs/dbraw/zinc/19/52/08/216195208.db2.gz IANDTESZKAYNPO-KRWDZBQOSA-N 0 0 335.407 4.771 50 0 EJAARN CCOc1ccc(/C=C/C(=O)Nc2ccccc2Cl)cc1OCC ZINC000000147439 209450716 /nfs/dbraw/zinc/45/07/16/209450716.db2.gz BDWBBJJTLYARPS-ZRDIBKRKSA-N 0 0 345.826 4.789 50 0 EJAARN Cc1cc(C(=O)Sc2cccc(C(F)(F)F)c2)nn1C(C)(C)C ZINC000000127710 209438983 /nfs/dbraw/zinc/43/89/83/209438983.db2.gz ZAFMVKZGXXEXDH-UHFFFAOYSA-N 0 0 342.386 4.898 50 0 EJAARN Cc1nc2ccccn2c1-c1ccnc(SCc2ccc(C)cc2)n1 ZINC000000123917 209437034 /nfs/dbraw/zinc/43/70/34/209437034.db2.gz RGBKYRWJPNVWHR-UHFFFAOYSA-N 0 0 346.459 4.700 50 0 EJAARN C[C@@H]1Cc2nn(-c3ccccc3)c(-c3ccc(F)cc3)c2C(=O)[C@H]1C ZINC000000106063 209423921 /nfs/dbraw/zinc/42/39/21/209423921.db2.gz XJEHDQSJBHXWSJ-KGLIPLIRSA-N 0 0 334.394 4.689 50 0 EJAARN O=C1C[C@H](c2ccc(OC(F)(F)F)cc2)Sc2ccccc2N1 ZINC000000110169 209427346 /nfs/dbraw/zinc/42/73/46/209427346.db2.gz XXHBVRLQDQVVAH-CQSZACIVSA-N 0 0 339.338 4.761 50 0 EJAARN O=C(c1ccccc1Cl)N(Cc1cccc(F)c1)c1ccccn1 ZINC000028291431 212614457 /nfs/dbraw/zinc/61/44/57/212614457.db2.gz IEYLUGZSPXIFJL-UHFFFAOYSA-N 0 0 340.785 4.721 50 0 EJAARN Cc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cc1C ZINC000000108730 209426975 /nfs/dbraw/zinc/42/69/75/209426975.db2.gz OKJBRLXKGFEPJO-UHFFFAOYSA-N 0 0 343.386 4.759 50 0 EJAARN COc1ccc(-c2cc(C(=O)OC(C)C)c3cc(C)ccc3n2)cc1 ZINC000000076350 209403564 /nfs/dbraw/zinc/40/35/64/209403564.db2.gz QNVPHUJJOQKGIZ-UHFFFAOYSA-N 0 0 335.403 4.784 50 0 EJAARN O=C(c1ccco1)N(Cc1ccco1)Cc1c(F)cccc1Cl ZINC000028250917 212611790 /nfs/dbraw/zinc/61/17/90/212611790.db2.gz PNYURIRBZYWPCS-UHFFFAOYSA-N 0 0 333.746 4.508 50 0 EJAARN S=C(Nc1ccccc1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000000096761 209417226 /nfs/dbraw/zinc/41/72/26/209417226.db2.gz UCIYYZVCWTXJKJ-HXUWFJFHSA-N 0 0 332.472 4.957 50 0 EJAARN Cc1ccc(CCC(=O)Nc2ncc(Cc3ccc(C)cc3)s2)o1 ZINC000000091258 209413757 /nfs/dbraw/zinc/41/37/57/209413757.db2.gz UPGFKJOUVXACSA-UHFFFAOYSA-N 0 0 340.448 4.515 50 0 EJAARN CC(=O)c1c(C)n(-c2ccc(Br)cc2)c2ccc(O)cc12 ZINC000000090236 209413257 /nfs/dbraw/zinc/41/32/57/209413257.db2.gz DALSLDAWIMJAOQ-UHFFFAOYSA-N 0 0 344.208 4.610 50 0 EJAARN C[C@@H]1CN=C(N(C(=O)Nc2ccc(Cl)cc2)c2ccccc2)S1 ZINC000000086881 209410676 /nfs/dbraw/zinc/41/06/76/209410676.db2.gz MDBYKBAUPLVXQS-GFCCVEGCSA-N 0 0 345.855 4.870 50 0 EJAARN CCC(NC(=O)O[C@H]1CCCC[C@H]1C)(C(F)(F)F)C(F)(F)F ZINC000000066484 209397238 /nfs/dbraw/zinc/39/72/38/209397238.db2.gz YAYJXPWJMARMIR-BDAKNGLRSA-N 0 0 335.288 4.565 50 0 EJAARN Cc1nc(C(F)(F)F)ccc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000000066380 209397280 /nfs/dbraw/zinc/39/72/80/209397280.db2.gz RAIXNKJAGMYIRH-UHFFFAOYSA-N 0 0 348.246 4.680 50 0 EJAARN Cc1nccn1S(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C ZINC000000062603 209395951 /nfs/dbraw/zinc/39/59/51/209395951.db2.gz NVSUEFIODIBPLZ-UHFFFAOYSA-N 0 0 348.512 4.799 50 0 EJAARN COc1ccc2c(C)c(-c3ccc(Br)cc3)c(=O)oc2c1 ZINC000000057975 209392796 /nfs/dbraw/zinc/39/27/96/209392796.db2.gz HGRLHNOBVPOBFL-UHFFFAOYSA-N 0 0 345.192 4.540 50 0 EJAARN COc1ccc2oc(-c3ccccc3)c(C(=O)N3CCCCC3)c2c1 ZINC000000045105 209387988 /nfs/dbraw/zinc/38/79/88/209387988.db2.gz VHPSBIVVELUJJO-UHFFFAOYSA-N 0 0 335.403 4.735 50 0 EJAARN Cc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1Br ZINC000000045928 209387870 /nfs/dbraw/zinc/38/78/70/209387870.db2.gz RXYNEFWEIYWBSS-UHFFFAOYSA-N 0 0 338.632 4.972 50 0 EJAARN CCC[C@H](CNC(=O)c1cc(-c2cccs2)on1)c1ccccc1 ZINC000072427527 216219286 /nfs/dbraw/zinc/21/92/86/216219286.db2.gz SCQNAPRKOIBGFP-OAHLLOKOSA-N 0 0 340.448 4.717 50 0 EJAARN c1coc([C@@H]2CCCCCN2Cc2c[nH]c(CC3CCCC3)n2)c1 ZINC000072473043 216250661 /nfs/dbraw/zinc/25/06/61/216250661.db2.gz XAZCXBAYVMKELN-SFHVURJKSA-N 0 0 327.472 4.853 50 0 EJAARN Cc1c2ccccc2oc1C(=O)N(Cc1ccccc1)c1ccccn1 ZINC000027742824 212575293 /nfs/dbraw/zinc/57/52/93/212575293.db2.gz WRBZAYUNQVHZNA-UHFFFAOYSA-N 0 0 342.398 4.983 50 0 EJAARN COc1ccc(-c2c(-c3ccc(SC)cc3)nc3n2CCC3)cc1 ZINC000026442303 212520242 /nfs/dbraw/zinc/52/02/42/212520242.db2.gz JPLSGEDYNSQWQD-UHFFFAOYSA-N 0 0 336.460 4.894 50 0 EJAARN Fc1cccc(-c2nc(COc3ccccc3Br)co2)c1 ZINC000026013866 212505610 /nfs/dbraw/zinc/50/56/10/212505610.db2.gz REDJZHDCGCOLSN-UHFFFAOYSA-N 0 0 348.171 4.822 50 0 EJAARN C[C@@H]1CCC[C@@H](Nc2ncnc3onc(-c4ccc(F)cc4)c32)[C@H]1C ZINC000245245773 201151966 /nfs/dbraw/zinc/15/19/66/201151966.db2.gz RVOLYJSXEBGXKQ-TYNCELHUSA-N 0 0 340.402 4.661 50 0 EJAARN CC(C)Sc1ccc([C@H](C)NC(=O)c2ccncc2Cl)cc1 ZINC000073077578 216346918 /nfs/dbraw/zinc/34/69/18/216346918.db2.gz YRDVMDHDYILJHD-LBPRGKRZSA-N 0 0 334.872 4.727 50 0 EJAARN Cc1noc(C)c1[C@@H](C)C(=O)Oc1ccccc1SC(F)(F)F ZINC000132019647 223292832 /nfs/dbraw/zinc/29/28/32/223292832.db2.gz ZOBUHTYKFQROCS-MRVPVSSYSA-N 0 0 345.342 4.612 50 0 EJAARN O=C(CCCc1c[nH]c2ccccc12)NCCc1ccc(Cl)cc1 ZINC000006936047 201363806 /nfs/dbraw/zinc/36/38/06/201363806.db2.gz TYCFICQSXYGFCI-UHFFFAOYSA-N 0 0 340.854 4.503 50 0 EJAARN CCOC(=O)c1c(Cl)nc2ccccc2c1NCc1ccccc1 ZINC000299738270 201355029 /nfs/dbraw/zinc/35/50/29/201355029.db2.gz PPQNKHUHEQVCOE-UHFFFAOYSA-N 0 0 340.810 4.677 50 0 EJAARN COC(=O)c1c(C)oc2ccc(OCc3c(F)cccc3Cl)cc21 ZINC000000083655 201358012 /nfs/dbraw/zinc/35/80/12/201358012.db2.gz MSGWRGLCBXBVIF-UHFFFAOYSA-N 0 0 348.757 4.899 50 0 EJAARN Cc1ccc2c(c1)c1c3n2CC(=O)N([C@@H](C)c2ccccc2)[C@@H]3CCC1 ZINC000000190452 201358200 /nfs/dbraw/zinc/35/82/00/201358200.db2.gz SVWIFMOPOCWQOQ-HRAATJIYSA-N 0 0 344.458 4.931 50 0 biogenic EJAARN O=C(N[C@H](c1cccs1)c1ccc2c(c1)CCCC2)c1ccncc1 ZINC000024658793 212431519 /nfs/dbraw/zinc/43/15/19/212431519.db2.gz WEUWAKXLNMIHFT-FQEVSTJZSA-N 0 0 348.471 4.541 50 0 EJAARN O=C(N[C@@H]1CCOc2ccccc21)c1ccc(-c2ccccc2)cc1F ZINC000048289516 202598688 /nfs/dbraw/zinc/59/86/88/202598688.db2.gz RSVCBHMAYHGGGD-HXUWFJFHSA-N 0 0 347.389 4.746 50 0 EJAARN CC(=O)c1ccc(Oc2nc(-c3ccncc3)nc3ccccc32)cc1 ZINC000024039997 212404822 /nfs/dbraw/zinc/40/48/22/212404822.db2.gz VGNPQVPZVNRMNB-UHFFFAOYSA-N 0 0 341.370 4.687 50 0 EJAARN Cc1ccn2cc(-c3ccc(NC(=O)CCC4CCCC4)cc3)nc2n1 ZINC000023993958 212402165 /nfs/dbraw/zinc/40/21/65/212402165.db2.gz YCQGPIILYQHFKL-UHFFFAOYSA-N 0 0 348.450 4.614 50 0 EJAARN CC[C@@H](O)Cn1ccc(-c2cccc(-c3ccc4ccccc4n3)c2)n1 ZINC000023428788 212376487 /nfs/dbraw/zinc/37/64/87/212376487.db2.gz SBPBRYIOWHNDNA-LJQANCHMSA-N 0 0 343.430 4.536 50 0 EJAARN CC(C)[C@@H]1CCCN1C(=O)c1ccc2noc(-c3ccccc3)c2c1 ZINC000058406859 202765504 /nfs/dbraw/zinc/76/55/04/202765504.db2.gz HFZQETCTAGYNFG-IBGZPJMESA-N 0 0 334.419 4.755 50 0 EJAARN O=C(c1cccc(F)c1)N1CCc2ccccc2[C@H]1c1ccccc1F ZINC000023309956 212367166 /nfs/dbraw/zinc/36/71/66/212367166.db2.gz QSINYROYMUHAAM-NRFANRHFSA-N 0 0 349.380 4.753 50 0 EJAARN Cc1cc(C(=O)Nc2cc(Cl)ccc2C)c(C)n1Cc1ccco1 ZINC000023296452 212366590 /nfs/dbraw/zinc/36/65/90/212366590.db2.gz WGYVVWCBUDFTRL-UHFFFAOYSA-N 0 0 342.826 4.960 50 0 EJAARN C[C@@H](NCc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1Cl ZINC000023218104 212361344 /nfs/dbraw/zinc/36/13/44/212361344.db2.gz CLOIJYXXNRJLRC-LLVKDONJSA-N 0 0 348.233 4.894 50 0 EJAARN CN(C(=O)Cc1cccc2ccccc21)C1C2CC3CC(C2)CC1C3 ZINC000023153143 212356238 /nfs/dbraw/zinc/35/62/38/212356238.db2.gz VYBHPALLBFITIB-UHFFFAOYSA-N 0 0 333.475 4.665 50 0 EJAARN CSc1cccc(NC(=O)CSCc2ccc(Cl)s2)c1 ZINC000023119908 212349499 /nfs/dbraw/zinc/34/94/99/212349499.db2.gz GCHVROSTSRNDJW-UHFFFAOYSA-N 0 0 343.926 4.995 50 0 EJAARN CC(=O)Nc1cccc(NC(=O)c2cc3c(cccc3F)s2)c1C ZINC000022993720 212341011 /nfs/dbraw/zinc/34/10/11/212341011.db2.gz RVSLHLMAJJUFOF-UHFFFAOYSA-N 0 0 342.395 4.560 50 0 EJAARN O=C(NCC1CC1)c1sc(-c2ccccc2)nc1-c1ccccc1 ZINC000022972125 212338980 /nfs/dbraw/zinc/33/89/80/212338980.db2.gz QUSLRYHJHFYITB-UHFFFAOYSA-N 0 0 334.444 4.617 50 0 EJAARN Brc1csc(CN2CCc3c4ccccc4[nH]c3C2)c1 ZINC000022779656 212323875 /nfs/dbraw/zinc/32/38/75/212323875.db2.gz JWSNBPCIWTUCPS-UHFFFAOYSA-N 0 0 347.281 4.550 50 0 EJAARN O=C(Nc1cc(-c2ccccc2)nn1-c1cccc(F)c1)C1CCCC1 ZINC000022672792 212316165 /nfs/dbraw/zinc/31/61/65/212316165.db2.gz FPNIPXSPCWWFFC-UHFFFAOYSA-N 0 0 349.409 4.807 50 0 EJAARN CCOC(=O)c1cnc2ccc(OCC)cc2c1NC1CCCCC1 ZINC000000071819 201429475 /nfs/dbraw/zinc/42/94/75/201429475.db2.gz SUQYWJFPMXSAJL-UHFFFAOYSA-N 0 0 342.439 4.555 50 0 EJAARN CCCN(CCC)C(=O)c1cc2c(s1)-c1cc(OC)ccc1CC2 ZINC000022632107 212313845 /nfs/dbraw/zinc/31/38/45/212313845.db2.gz XXEZXYZUJRDADQ-UHFFFAOYSA-N 0 0 343.492 4.785 50 0 EJAARN CCCC(=O)Nc1sc([C@H](C)c2ccccc2)cc1C(=O)OCC ZINC000022624161 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ZINC000017781530 211972452 /nfs/dbraw/zinc/97/24/52/211972452.db2.gz UXHDQIRZKBKYOV-UHFFFAOYSA-N 0 0 346.818 4.678 50 0 EJAARN Cc1ccc(/C=C2\C(=O)Nc3ccc(Br)cc32)cc1C ZINC000017154769 211956898 /nfs/dbraw/zinc/95/68/98/211956898.db2.gz ZIENANAHVUJCCY-NVNXTCNLSA-N 0 0 328.209 4.559 50 0 EJAARN O=C(NC1CCCCCC1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000017297973 211962164 /nfs/dbraw/zinc/96/21/64/211962164.db2.gz RCZDUJNHVDAXFD-UHFFFAOYSA-N 0 0 345.446 4.749 50 0 EJAARN CCCCc1ccc(N2C(=O)CS[C@@H]2c2ccc(F)cc2)cc1 ZINC000017198469 211960574 /nfs/dbraw/zinc/96/05/74/211960574.db2.gz XAXLNZQZFACRHH-LJQANCHMSA-N 0 0 329.440 4.947 50 0 EJAARN Cc1nc(-c2ccccc2)oc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000078899652 217143927 /nfs/dbraw/zinc/14/39/27/217143927.db2.gz CZXKNNOOPXOCBC-UHFFFAOYSA-N 0 0 346.308 4.921 50 0 EJAARN COc1ccccc1NC(=S)N[C@@H](C)c1ccc2ccccc2c1 ZINC000016240625 211890471 /nfs/dbraw/zinc/89/04/71/211890471.db2.gz GWSXSIKJCHVIJH-AWEZNQCLSA-N 0 0 336.460 4.896 50 0 EJAARN CCOc1ccccc1NC(=O)C[C@H](c1ccccc1)n1cccc1 ZINC000015771286 211850771 /nfs/dbraw/zinc/85/07/71/211850771.db2.gz DYAPXLQGHWNKLJ-LJQANCHMSA-N 0 0 334.419 4.505 50 0 EJAARN COC(=O)c1c(Nc2ccccc2)onc1-c1ccc(Cl)cc1 ZINC000015821752 211854620 /nfs/dbraw/zinc/85/46/20/211854620.db2.gz ZASCFWSHZOCYEF-UHFFFAOYSA-N 0 0 328.755 4.525 50 0 EJAARN COc1ccccc1-c1cc2nc(C)cc(Nc3cccc(C)c3)n2n1 ZINC000015670915 211838967 /nfs/dbraw/zinc/83/89/67/211838967.db2.gz NQTQTXZWDSBDIP-UHFFFAOYSA-N 0 0 344.418 4.765 50 0 EJAARN Cc1ccccc1-c1noc(-c2cccnc2NCc2ccccc2)n1 ZINC000015669967 211838169 /nfs/dbraw/zinc/83/81/69/211838169.db2.gz SSESDOOMKGYOKW-UHFFFAOYSA-N 0 0 342.402 4.719 50 0 EJAARN CCn1c2ccccc2c2cc(NC(=O)Cc3c(C)noc3C)ccc21 ZINC000015600465 211834137 /nfs/dbraw/zinc/83/41/37/211834137.db2.gz FIZANURUAFTWKI-UHFFFAOYSA-N 0 0 347.418 4.600 50 0 EJAARN COc1ccc(C)cc1NC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 ZINC000015614894 211834842 /nfs/dbraw/zinc/83/48/42/211834842.db2.gz VGARAIKAAQKOGP-ZDUSSCGKSA-N 0 0 348.446 4.862 50 0 EJAARN C[C@H](SC/C=C/c1ccccc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000015493873 211826774 /nfs/dbraw/zinc/82/67/74/211826774.db2.gz IGHWYDBSUYRWIL-LJLILKBBSA-N 0 0 333.403 4.738 50 0 EJAARN COc1ccc(C)cc1NC(=O)[C@H](C)SCCCc1ccccc1 ZINC000015492057 211826490 /nfs/dbraw/zinc/82/64/90/211826490.db2.gz UQFMPHCBEYRLKQ-INIZCTEOSA-N 0 0 343.492 4.697 50 0 EJAARN O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc2ccccc2c1 ZINC000080338824 217299009 /nfs/dbraw/zinc/29/90/09/217299009.db2.gz KUSZYYAUATWSGU-UHFFFAOYSA-N 0 0 348.442 4.782 50 0 EJAARN CCOc1cc(C=O)ccc1OCCOc1ccc([C@H](C)CC)cc1 ZINC000002877562 205634741 /nfs/dbraw/zinc/63/47/41/205634741.db2.gz XNZVBGVDTXIRJE-MRXNPFEDSA-N 0 0 342.435 4.869 50 0 EJAARN C[C@@H]1CC2(CCCCC2)Nc2ccc(I)cc21 ZINC000003999779 205670058 /nfs/dbraw/zinc/67/00/58/205670058.db2.gz GQAFJKXWYYVIJV-LLVKDONJSA-N 0 0 341.236 4.913 50 0 biogenic EJAARN Cc1ccc(NC(=S)N2CCn3cccc3[C@@H]2c2ccccc2)cc1 ZINC000004059412 205677082 /nfs/dbraw/zinc/67/70/82/205677082.db2.gz KCWGTENJSCSAJW-FQEVSTJZSA-N 0 0 347.487 4.599 50 0 EJAARN Cc1c(C(=O)Nc2nnc(CC(C)C)s2)sc2cccc(F)c12 ZINC000014633265 211749016 /nfs/dbraw/zinc/74/90/16/211749016.db2.gz YGOYMXDSAKLPCA-UHFFFAOYSA-N 0 0 349.456 4.651 50 0 EJAARN COc1ccc2cc(CN3CCCc4ccccc43)c(Cl)nc2c1 ZINC000014672789 211751892 /nfs/dbraw/zinc/75/18/92/211751892.db2.gz AZLROEHRIQPITO-UHFFFAOYSA-N 0 0 338.838 4.850 50 0 EJAARN O=C(OCc1nc2ccccc2s1)C12CC3CC(CC(C3)C1)C2 ZINC000005126875 205751077 /nfs/dbraw/zinc/75/10/77/205751077.db2.gz URQWYHKYGDHTER-UHFFFAOYSA-N 0 0 327.449 4.556 50 0 EJAARN CSc1cccc(C(=O)Nc2nc(-c3cccs3)cs2)c1 ZINC000005222533 205759997 /nfs/dbraw/zinc/75/99/97/205759997.db2.gz ANDRBUDBVWWXOA-UHFFFAOYSA-N 0 0 332.475 4.846 50 0 EJAARN CCOc1ccc([C@H]2CCCN2C(=O)c2cc3ccccc3[nH]2)cc1 ZINC000014167801 211698468 /nfs/dbraw/zinc/69/84/68/211698468.db2.gz UWXLMWBMDFYWFK-HXUWFJFHSA-N 0 0 334.419 4.544 50 0 EJAARN O=C(c1c[nH]c2ccccc12)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000014142391 211693912 /nfs/dbraw/zinc/69/39/12/211693912.db2.gz OECFZRKXINWIKA-KRWDZBQOSA-N 0 0 347.443 4.755 50 0 EJAARN Cc1ccc(/C=C/C(=O)OCc2csc(-c3ccccc3)n2)cc1 ZINC000014126156 211688561 /nfs/dbraw/zinc/68/85/61/211688561.db2.gz UTGXYUWFZBSCTR-VAWYXSNFSA-N 0 0 335.428 4.875 50 0 EJAARN O=C(COc1ccc2ccccc2c1)c1ccc(Br)cc1 ZINC000000476826 206236918 /nfs/dbraw/zinc/23/69/18/206236918.db2.gz UXFUBINLFLWBFP-UHFFFAOYSA-N 0 0 341.204 4.864 50 0 EJAARN Cc1ccc(C(=O)Nc2cc(Br)ccc2C2CC2)cc1 ZINC000013945505 211659540 /nfs/dbraw/zinc/65/95/40/211659540.db2.gz YHGAERSMJKBOBZ-UHFFFAOYSA-N 0 0 330.225 4.887 50 0 EJAARN O=C(Nc1ccccc1N1CCCC1)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000084506020 217608000 /nfs/dbraw/zinc/60/80/00/217608000.db2.gz ZDLWMMOJQWNNMU-DLBZAZTESA-N 0 0 340.854 4.682 50 0 EJAARN O=C(Nc1ccccc1N1CCCC1)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000084506019 217608171 /nfs/dbraw/zinc/60/81/71/217608171.db2.gz ZDLWMMOJQWNNMU-SJORKVTESA-N 0 0 340.854 4.682 50 0 EJAARN CC(C)(NC(=O)OCc1ccccc1)c1ccc(Br)cc1 ZINC000085482238 217675259 /nfs/dbraw/zinc/67/52/59/217675259.db2.gz IOHGBDDCFVCMRL-UHFFFAOYSA-N 0 0 348.240 4.611 50 0 EJAARN c1ccc(C2=Nc3c4ccccc4ccc3C(c3ccncc3)=NN2)cc1 ZINC000013544449 211575233 /nfs/dbraw/zinc/57/52/33/211575233.db2.gz IKHJSFHAHLFWOV-UHFFFAOYSA-N 0 0 348.409 4.669 50 0 EJAARN C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1nc(-c2ccccc2)no1 ZINC000013495462 211568619 /nfs/dbraw/zinc/56/86/19/211568619.db2.gz FCVHUCZQFDHXRT-AWEZNQCLSA-N 0 0 349.434 4.525 50 0 EJAARN Cc1ccc(CNC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000013320429 211543159 /nfs/dbraw/zinc/54/31/59/211543159.db2.gz ITNSYYDBHYASPB-UHFFFAOYSA-N 0 0 342.748 4.989 50 0 EJAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1NC(=O)Nc1ccccc1 ZINC000013331663 211548031 /nfs/dbraw/zinc/54/80/31/211548031.db2.gz HVAYTINOOHQCOC-UHFFFAOYSA-N 0 0 334.423 4.501 50 0 EJAARN Cc1sc2ncnc(Sc3ccc4c(c3)OCCCO4)c2c1C ZINC000013100606 211521113 /nfs/dbraw/zinc/52/11/13/211521113.db2.gz SMHHUNRCCWDCPR-UHFFFAOYSA-N 0 0 344.461 4.621 50 0 EJAARN COc1cccc(NC(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)c1 ZINC000013048498 211516079 /nfs/dbraw/zinc/51/60/79/211516079.db2.gz IXJWLHHFOODMFP-LLVKDONJSA-N 0 0 338.329 4.597 50 0 EJAARN O=C(c1cccc(F)c1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000012997318 211504329 /nfs/dbraw/zinc/50/43/29/211504329.db2.gz YTAUSIFYIKXYSW-QGZVFWFLSA-N 0 0 343.448 4.737 50 0 EJAARN O=C(CCc1c[nH]c2ccccc12)N(Cc1ccco1)c1ccccc1 ZINC000012980672 211498890 /nfs/dbraw/zinc/49/88/90/211498890.db2.gz ZBGMLCMDGQAQCB-UHFFFAOYSA-N 0 0 344.414 4.927 50 0 EJAARN Cc1ccccc1NC(=O)COc1ccc2c(c1)[nH]c1ccccc12 ZINC000012931279 211486944 /nfs/dbraw/zinc/48/69/44/211486944.db2.gz IDGSGNFMODQCQN-UHFFFAOYSA-N 0 0 330.387 4.647 50 0 EJAARN C[C@@H](NC(=O)C1c2ccccc2Oc2ccccc21)c1ccccc1F ZINC000012786223 211455772 /nfs/dbraw/zinc/45/57/72/211455772.db2.gz TUJYQAWYPVYONE-CQSZACIVSA-N 0 0 347.389 4.941 50 0 EJAARN Cc1nc(-c2cccs2)sc1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000012892138 211476912 /nfs/dbraw/zinc/47/69/12/211476912.db2.gz IONWJLNADXUHCV-SNVBAGLBSA-N 0 0 346.452 4.810 50 0 EJAARN COc1cccc(CNC(=O)c2ccccc2-c2cccc(C)c2)c1 ZINC000012814090 211464066 /nfs/dbraw/zinc/46/40/66/211464066.db2.gz XUECGUKWAXFSET-UHFFFAOYSA-N 0 0 331.415 4.601 50 0 EJAARN CN(C(=O)c1ccc(Cl)c(Cl)c1)c1nc2ccccc2s1 ZINC000012810845 211463396 /nfs/dbraw/zinc/46/33/96/211463396.db2.gz CMVBZSCTSCQPFC-UHFFFAOYSA-N 0 0 337.231 4.880 50 0 EJAARN O=C(c1ccccc1)N1N=C(c2ccsc2)C[C@H]1c1ccsc1 ZINC000089822919 217851664 /nfs/dbraw/zinc/85/16/64/217851664.db2.gz YFKBHJQCOUIQLN-KRWDZBQOSA-N 0 0 338.457 4.801 50 0 EJAARN Cn1c(SC(c2ccccc2)c2ccccc2)nnc1C(F)(F)F ZINC000012747603 211443777 /nfs/dbraw/zinc/44/37/77/211443777.db2.gz GNAZXRJQQMLIDB-UHFFFAOYSA-N 0 0 349.381 4.716 50 0 EJAARN O=C(Nc1cccc(Cl)c1)c1ccc(OCc2cscn2)cc1 ZINC000012766847 211449809 /nfs/dbraw/zinc/44/98/09/211449809.db2.gz DOSGFRHNWDBGPW-UHFFFAOYSA-N 0 0 344.823 4.628 50 0 EJAARN CC(C)(C)C(=O)Nc1cccc(NC(=O)Cc2ccccc2Cl)c1 ZINC000012765602 211449391 /nfs/dbraw/zinc/44/93/91/211449391.db2.gz QWGAAXGTOLZGKG-UHFFFAOYSA-N 0 0 344.842 4.506 50 0 EJAARN c1cc2c(ncnc2Nc2ccc(-n3cnc4ccccc43)cc2)s1 ZINC000012529423 211399955 /nfs/dbraw/zinc/39/99/55/211399955.db2.gz UEEMZHVOVBUSQW-UHFFFAOYSA-N 0 0 343.415 4.774 50 0 EJAARN Cc1nc(-c2ccc(CNC(=O)c3ccc(C)c(C)c3)cc2)cs1 ZINC000012614526 211423573 /nfs/dbraw/zinc/42/35/73/211423573.db2.gz ZRDBFNOVIFMCEG-UHFFFAOYSA-N 0 0 336.460 4.665 50 0 EJAARN Cc1nc2cc(N[C@H](C)C(=O)Nc3cccc(Cl)c3C)ccc2o1 ZINC000012527843 211398512 /nfs/dbraw/zinc/39/85/12/211398512.db2.gz CPBIPVABKDONCT-LLVKDONJSA-N 0 0 343.814 4.537 50 0 EJAARN Fc1ccc(-c2c[nH]c(SCc3cc(-c4ccco4)on3)n2)cc1 ZINC000012507022 211394782 /nfs/dbraw/zinc/39/47/82/211394782.db2.gz HWMAIWVYOCLSRQ-UHFFFAOYSA-N 0 0 341.367 4.756 50 0 EJAARN Cc1oc(-c2ccccc2C)nc1CN(C)[C@@H](C)c1nccs1 ZINC000012470659 211390756 /nfs/dbraw/zinc/39/07/56/211390756.db2.gz ACNXYSWFROXMEH-ZDUSSCGKSA-N 0 0 327.453 4.608 50 0 EJAARN COc1c(C)cccc1C(=O)Nc1ccc(-n2ccnc2C(C)C)cc1 ZINC000012462956 211390417 /nfs/dbraw/zinc/39/04/17/211390417.db2.gz WNLJCIDFAUAVJQ-UHFFFAOYSA-N 0 0 349.434 4.565 50 0 EJAARN CC1(C)Cc2c(sc3nc(-c4ccc(Cl)cc4)cn23)C(=O)C1 ZINC000012437761 211382347 /nfs/dbraw/zinc/38/23/47/211382347.db2.gz WPKQXKSCMIXAEN-UHFFFAOYSA-N 0 0 330.840 4.871 50 0 EJAARN O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(Cl)cc1Cl ZINC000012435603 211379551 /nfs/dbraw/zinc/37/95/51/211379551.db2.gz BKGINDLDJQKFBM-UHFFFAOYSA-N 0 0 349.217 4.594 50 0 EJAARN O=C1C[C@H](c2ccc(OCc3ccccc3)cc2)c2sccc2N1 ZINC000012376535 211360403 /nfs/dbraw/zinc/36/04/03/211360403.db2.gz ZJDOFYUECICHLF-QGZVFWFLSA-N 0 0 335.428 4.801 50 0 EJAARN CCCCOc1ccc(NC(=S)N2CCc3ccccc3C2)cc1 ZINC000012421649 211376605 /nfs/dbraw/zinc/37/66/05/211376605.db2.gz SLRJHELARGKVHN-UHFFFAOYSA-N 0 0 340.492 4.621 50 0 EJAARN Cc1ccsc1-c1nnc2sc(-c3ccc(Cl)cc3)nn21 ZINC000012391760 211368353 /nfs/dbraw/zinc/36/83/53/211368353.db2.gz XZYGUPFJHPVANM-UHFFFAOYSA-N 0 0 332.841 4.543 50 0 EJAARN COc1ccc(CNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000012292964 211334778 /nfs/dbraw/zinc/33/47/78/211334778.db2.gz REUOAXZDIUGKNW-UHFFFAOYSA-N 0 0 341.794 4.539 50 0 EJAARN CC(=O)N(Cc1cccc(OCCc2cccs2)c1)C1CCCC1 ZINC000012278663 211333035 /nfs/dbraw/zinc/33/30/35/211333035.db2.gz CUWYAXARWIUQIO-UHFFFAOYSA-N 0 0 343.492 4.661 50 0 EJAARN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)c2ccccc12 ZINC000012291234 211333111 /nfs/dbraw/zinc/33/31/11/211333111.db2.gz NMQDYJWZZBLEJW-UHFFFAOYSA-N 0 0 331.824 4.602 50 0 EJAARN Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)NCCc1ccccc1 ZINC000012274735 211332051 /nfs/dbraw/zinc/33/20/51/211332051.db2.gz MULMYWDQAFRKPV-UHFFFAOYSA-N 0 0 339.822 4.881 50 0 EJAARN Cc1oc(-c2ccccc2)nc1COC(=O)c1cccc(Cl)c1 ZINC000012257333 211330255 /nfs/dbraw/zinc/33/02/55/211330255.db2.gz LIWHHEPATGGXQV-UHFFFAOYSA-N 0 0 327.767 4.660 50 0 EJAARN CC[C@H](C)C(=O)NC[C@@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1 ZINC000012167241 211310772 /nfs/dbraw/zinc/31/07/72/211310772.db2.gz AORAYQMWUXTWIH-NHYWBVRUSA-N 0 0 349.883 4.534 50 0 EJAARN CC(C)C(=O)N1CCCCC[C@H]1c1cc(-c2ccc(F)cc2)no1 ZINC000012120234 211297896 /nfs/dbraw/zinc/29/78/96/211297896.db2.gz SJYDIOMNSCHAHO-KRWDZBQOSA-N 0 0 330.403 4.580 50 0 EJAARN Cc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccnc4)=NN32)cc1 ZINC000012080456 211287850 /nfs/dbraw/zinc/28/78/50/211287850.db2.gz UXXCNNLBRRVPLR-IFMALSPDSA-N 0 0 341.414 4.632 50 0 EJAARN CC(C)c1nc2cc(C(=O)N3CCC[C@H](c4ccccc4)C3)ccc2o1 ZINC000012051635 211283349 /nfs/dbraw/zinc/28/33/49/211283349.db2.gz VIAISCBCSBZGMP-SFHVURJKSA-N 0 0 348.446 4.971 50 0 EJAARN CSc1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1 ZINC000012039743 211282597 /nfs/dbraw/zinc/28/25/97/211282597.db2.gz PYDZHUKNXWVKRN-UHFFFAOYSA-N 0 0 332.475 4.846 50 0 EJAARN CC[C@H]1c2cccn2CCN1Cc1nc(-c2cccc(C)c2)oc1C ZINC000012004496 211279123 /nfs/dbraw/zinc/27/91/23/211279123.db2.gz MHMMDCQSDWQJCB-IBGZPJMESA-N 0 0 335.451 4.727 50 0 EJAARN O=C(c1cc(F)ccc1F)[C@@H]1CCCN(Cc2cccc(Cl)c2)C1 ZINC000012001385 211277759 /nfs/dbraw/zinc/27/77/59/211277759.db2.gz VDAPBQZURYOZHE-CQSZACIVSA-N 0 0 349.808 4.713 50 0 EJAARN 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/nfs/dbraw/zinc/33/80/09/210338009.db2.gz XJASNSGWIDVLAU-UHFFFAOYSA-N 0 0 341.495 4.582 50 0 EJAARN Cc1[nH]nc2c1[C@H](c1ccc(C(C)C)cc1)N(c1ccc(C)cc1)C2=O ZINC000004928755 210327511 /nfs/dbraw/zinc/32/75/11/210327511.db2.gz UVDHNTQAUONJCG-NRFANRHFSA-N 0 0 345.446 4.900 50 0 EJAARN O=c1n(Cc2ccccc2)c2ccc(Cl)cc2n1Cc1ccccc1 ZINC000000035509 208553140 /nfs/dbraw/zinc/55/31/40/208553140.db2.gz RBNNCSVSTOQAOD-UHFFFAOYSA-N 0 0 348.833 4.553 50 0 EJAARN CCOc1ccc([C@H]2S[C@H](C)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000000035028 208553459 /nfs/dbraw/zinc/55/34/59/208553459.db2.gz NWFNFNKXVZAPCF-KZULUSFZSA-N 0 0 347.867 4.906 50 0 EJAARN Cn1c2ccccc2nc1SCc1ccc(Br)cc1 ZINC000000036249 208554028 /nfs/dbraw/zinc/55/40/28/208554028.db2.gz QITCIHNCMDSWPM-UHFFFAOYSA-N 0 0 333.254 4.628 50 0 EJAARN C[C@]1(C(=O)Nc2nccs2)CC2c3ccccc3C1c1ccccc12 ZINC000000036780 208554117 /nfs/dbraw/zinc/55/41/17/208554117.db2.gz QYEYUIJWYCBKBG-NGICGMGXSA-N 0 0 346.455 4.769 50 0 EJAARN O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CCCCCC1 ZINC000006998277 208568468 /nfs/dbraw/zinc/56/84/68/208568468.db2.gz OYHNXRSOWUJBPW-UHFFFAOYSA-N 0 0 326.421 4.573 50 0 EJAARN O=C1c2ccccc2[C@@H](Nc2ccc(Cl)cc2)N1c1ccccn1 ZINC000004915750 210323163 /nfs/dbraw/zinc/32/31/63/210323163.db2.gz SZKPFTSWLWSBGV-SFHVURJKSA-N 0 0 335.794 4.506 50 0 EJAARN Cc1ccc2c(CC(=O)OCc3ncc(-c4ccccc4)o3)coc2c1 ZINC000003503888 208561890 /nfs/dbraw/zinc/56/18/90/208561890.db2.gz XXFIETCCCOEGQX-UHFFFAOYSA-N 0 0 347.370 4.682 50 0 EJAARN O=C(c1ccc2c(Cl)c3c(nc2c1)CCCC3)N1CCCCCC1 ZINC000004940237 210331839 /nfs/dbraw/zinc/33/18/39/210331839.db2.gz PEISGDLUWUOZQM-UHFFFAOYSA-N 0 0 342.870 4.783 50 0 EJAARN Cc1ccc(N2C(=O)c3ccccc3[C@H]2Nc2ccc(C)c(C)c2)nc1 ZINC000004917117 210322886 /nfs/dbraw/zinc/32/28/86/210322886.db2.gz UYBPDKGYFNDNOO-NRFANRHFSA-N 0 0 343.430 4.778 50 0 EJAARN CCc1ccccc1N[C@@H]1c2ccccc2C(=O)N1c1ccc(C)cn1 ZINC000004916927 210322419 /nfs/dbraw/zinc/32/24/19/210322419.db2.gz ACKRBONPRFWXBR-NRFANRHFSA-N 0 0 343.430 4.724 50 0 EJAARN Cc1ccc(N2C(=O)c3ccccc3[C@H]2Nc2cc(C)cc(C)c2)nc1 ZINC000004916948 210322583 /nfs/dbraw/zinc/32/25/83/210322583.db2.gz SBYJBIQKMLXVIN-NRFANRHFSA-N 0 0 343.430 4.778 50 0 EJAARN Cc1ccc(N2C(=O)c3ccccc3[C@@H]2Nc2cc(C)cc(C)c2)nc1 ZINC000004916972 210321916 /nfs/dbraw/zinc/32/19/16/210321916.db2.gz SBYJBIQKMLXVIN-OAQYLSRUSA-N 0 0 343.430 4.778 50 0 EJAARN CCN1C(=O)S/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C1=O ZINC000004917206 210321941 /nfs/dbraw/zinc/32/19/41/210321941.db2.gz OHENZLJHZPKPKB-NTEUORMPSA-N 0 0 333.796 4.656 50 0 EJAARN Cc1[nH]c2ccc(C)cc2c1CCNC(=S)Nc1ccc(C)cc1 ZINC000004905241 210319492 /nfs/dbraw/zinc/31/94/92/210319492.db2.gz YMUIPGQUZZQHAM-UHFFFAOYSA-N 0 0 337.492 4.622 50 0 EJAARN CCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(C)cc2C)C1 ZINC000004902980 210317936 /nfs/dbraw/zinc/31/79/36/210317936.db2.gz QBNQHIWYGINERX-QGZVFWFLSA-N 0 0 347.462 4.584 50 0 EJAARN CCOc1ccccc1NC(=O)c1cc2c(o1)c1ccccc1nc2C ZINC000004902054 210317956 /nfs/dbraw/zinc/31/79/56/210317956.db2.gz JKWOSDVTKAEJPA-UHFFFAOYSA-N 0 0 346.386 4.940 50 0 EJAARN CCOc1ccc(NC(=O)c2cc3c(o2)c2ccccc2nc3C)cc1 ZINC000004901996 210317629 /nfs/dbraw/zinc/31/76/29/210317629.db2.gz QCBWVGOLRSFDSE-UHFFFAOYSA-N 0 0 346.386 4.940 50 0 EJAARN Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2)cc1 ZINC000004899001 210315792 /nfs/dbraw/zinc/31/57/92/210315792.db2.gz OTBPYQYHGIVDQG-FOCLMDBBSA-N 0 0 338.410 4.865 50 0 EJAARN Cc1noc(C)c1COc1ccc2cc(Br)ccc2c1 ZINC000007058154 208581017 /nfs/dbraw/zinc/58/10/17/208581017.db2.gz CJVXFXABBCGSKU-UHFFFAOYSA-N 0 0 332.197 4.786 50 0 EJAARN Cc1nc2sc3c(c2c(Nc2ccc(OC(F)F)cc2)n1)CCC3 ZINC000004883250 210311669 /nfs/dbraw/zinc/31/16/69/210311669.db2.gz WWCIYPRIHOVWQK-UHFFFAOYSA-N 0 0 347.390 4.833 50 0 EJAARN CSC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000004883044 210310912 /nfs/dbraw/zinc/31/09/12/210310912.db2.gz KKFMQQWUCJPBRJ-OQLLNIDSSA-N 0 0 346.814 4.586 50 0 EJAARN CC(C)Oc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(F)c1 ZINC000004857064 210302821 /nfs/dbraw/zinc/30/28/21/210302821.db2.gz AWAZGJMDFCERPD-UHFFFAOYSA-N 0 0 341.304 4.884 50 0 EJAARN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1cccnc1 ZINC000004843198 210297696 /nfs/dbraw/zinc/29/76/96/210297696.db2.gz SIAIWAIHVPHVNI-UHFFFAOYSA-N 0 0 345.427 4.919 50 0 EJAARN COc1ccc([C@H](c2ccc(C)o2)c2ccc(OC)c(OC)c2)cc1 ZINC000004860782 210305855 /nfs/dbraw/zinc/30/58/55/210305855.db2.gz ZMTNHIWTYNXBAI-NRFANRHFSA-N 0 0 338.403 4.794 50 0 EJAARN O=c1c2ccccc2[nH]c(=S)n1-c1ccc(Oc2ccccc2)cc1 ZINC000004864446 210305320 /nfs/dbraw/zinc/30/53/20/210305320.db2.gz SSCNDAPWOKIBLW-UHFFFAOYSA-N 0 0 346.411 4.841 50 0 EJAARN Cc1c(Cl)cccc1NC1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000004817060 210286070 /nfs/dbraw/zinc/28/60/70/210286070.db2.gz WEOILDWTNQMHGN-UHFFFAOYSA-N 0 0 346.833 4.504 50 0 EJAARN CCC(=O)Oc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000004842985 210296366 /nfs/dbraw/zinc/29/63/66/210296366.db2.gz IVHDGJMGVNEADX-UHFFFAOYSA-N 0 0 338.190 4.561 50 0 EJAARN COc1ccccc1NC(=O)Cc1coc2cc(C)c(Cl)cc12 ZINC000004840693 210294519 /nfs/dbraw/zinc/29/45/19/210294519.db2.gz OVUJMEBRADBFNS-UHFFFAOYSA-N 0 0 329.783 4.584 50 0 EJAARN CCCOc1c(Cl)cc(C(=O)Nc2cccc(F)c2)cc1OC ZINC000004834997 210292345 /nfs/dbraw/zinc/29/23/45/210292345.db2.gz WPNYNHBCCQJFNB-UHFFFAOYSA-N 0 0 337.778 4.529 50 0 EJAARN C[C@H](NC(=O)c1cc(Br)ccc1Cl)c1ccccc1 ZINC000004834388 210292139 /nfs/dbraw/zinc/29/21/39/210292139.db2.gz NNTIHXDYGVQYTC-JTQLQIEISA-N 0 0 338.632 4.594 50 0 EJAARN CC(C)CC(=O)Nc1cc2ccccc2cc1NC(=O)CC(C)C ZINC000004825891 210289536 /nfs/dbraw/zinc/28/95/36/210289536.db2.gz DOYYBHCGEGAAIR-UHFFFAOYSA-N 0 0 326.440 4.809 50 0 EJAARN O=c1cc(-c2ccccc2Br)oc2ccc(Cl)cc12 ZINC000000057787 209392949 /nfs/dbraw/zinc/39/29/49/209392949.db2.gz QKMNJWQDYXKCNU-UHFFFAOYSA-N 0 0 335.584 4.876 50 0 biogenic,in-vitro EJAARN COc1cc2c(cc1NC(=O)C13CC4CC(CC(C4)C1)C3)CCCC2 ZINC000004819858 210287565 /nfs/dbraw/zinc/28/75/65/210287565.db2.gz DXUXPHIZIYXGJB-UHFFFAOYSA-N 0 0 339.479 4.729 50 0 EJAARN O=C(NCc1ccc(-c2nc3ccccc3s2)cc1)c1ccccc1 ZINC000004776788 210274941 /nfs/dbraw/zinc/27/49/41/210274941.db2.gz GVNZZEXNYCYQAG-UHFFFAOYSA-N 0 0 344.439 4.893 50 0 EJAARN CCCCOP(=O)(OCCCC)[C@@H](O)c1ccc(N(C)C)cc1 ZINC000004815454 210284890 /nfs/dbraw/zinc/28/48/90/210284890.db2.gz ZGGFRWDQZQLDKY-QGZVFWFLSA-N 0 0 343.404 4.570 50 0 EJAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc2nccnc2c1 ZINC000004810428 210283111 /nfs/dbraw/zinc/28/31/11/210283111.db2.gz XVJJWXDXEJFCDR-UHFFFAOYSA-N 0 0 341.370 4.674 50 0 EJAARN c1ccc(C2=Nc3cc4ccccc4cc3C(c3cccnc3)=NN2)cc1 ZINC000004811144 210283244 /nfs/dbraw/zinc/28/32/44/210283244.db2.gz MSSMUJJZCAIKJE-UHFFFAOYSA-N 0 0 348.409 4.669 50 0 EJAARN CC(C)(C)[S@@](=O)OC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000004800647 210280192 /nfs/dbraw/zinc/28/01/92/210280192.db2.gz MWRRWLFNSUKCMC-HBLAUFEJSA-N 0 0 340.488 4.763 50 0 EJAARN O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H]1CCc2ccccc2C1 ZINC000004769684 210274641 /nfs/dbraw/zinc/27/46/41/210274641.db2.gz OVBBRARSCRSULW-ZDUSSCGKSA-N 0 0 335.234 4.672 50 0 EJAARN COc1ccc(-c2csc(-c3cc4ccccc4oc3=N)n2)cc1 ZINC000004792624 210278162 /nfs/dbraw/zinc/27/81/62/210278162.db2.gz WZPKIPXIOLOHFM-UHFFFAOYSA-N 0 0 334.400 4.711 50 0 aggregator EJAARN Cc1cc([C@H]2CCCCN2Cc2ccc3cccc(Cl)c3n2)no1 ZINC000097522059 219032149 /nfs/dbraw/zinc/03/21/49/219032149.db2.gz RJCVDPFGFOBSCX-GOSISDBHSA-N 0 0 341.842 4.912 50 0 EJAARN O=C1c2ccccc2[C@@H](c2c[nH]c3ccccc32)N1Cc1ccco1 ZINC000004778864 210276939 /nfs/dbraw/zinc/27/69/39/210276939.db2.gz NFKGPYXYCXUPOZ-FQEVSTJZSA-N 0 0 328.371 4.506 50 0 EJAARN CCN(CC)c1ccc(NC(=O)c2cccc(OCC(C)C)c2)cc1 ZINC000004746936 210268861 /nfs/dbraw/zinc/26/88/61/210268861.db2.gz WRLRJBQLYVVKGP-UHFFFAOYSA-N 0 0 340.467 4.820 50 0 EJAARN CC1(C)c2ccccc2C2(OC(=O)c3ccccc32)c2ccccc21 ZINC000004760167 210271876 /nfs/dbraw/zinc/27/18/76/210271876.db2.gz ZCHSGGUJULXPLM-UHFFFAOYSA-N 0 0 326.395 4.788 50 0 EJAARN Cc1nc(-c2cccs2)ccc1C(=O)N(CC1CC1)c1cccnc1 ZINC000154836974 224313707 /nfs/dbraw/zinc/31/37/07/224313707.db2.gz GUXLYYQECWECMT-UHFFFAOYSA-N 0 0 349.459 4.570 50 0 EJAARN Cc1ccc(CN(C)C(=O)Nc2cc(-c3cccnc3)ccc2C)o1 ZINC000374721042 257930361 /nfs/dbraw/zinc/93/03/61/257930361.db2.gz ZNWGMUONLLDZGX-UHFFFAOYSA-N 0 0 335.407 4.622 50 0 EJAARN CCn1c(SCc2nc(C)oc2C)nnc1-c1cccc(Cl)c1 ZINC000521395086 257947577 /nfs/dbraw/zinc/94/75/77/257947577.db2.gz IALGIVAOYFFPCC-UHFFFAOYSA-N 0 0 348.859 4.516 50 0 EJAARN C[C@H](c1ccccc1)N(C(=O)[C@H]1CCC(=O)C[C@H]1C)C1CCCC1 ZINC000328595360 258043393 /nfs/dbraw/zinc/04/33/93/258043393.db2.gz SEDNSHWZWNUFOC-QINHECLXSA-N 0 0 327.468 4.524 50 0 EJAARN Cc1ccc(C(=O)Nc2c(C)cc(Br)cc2C)cc1C ZINC000000309955 257976877 /nfs/dbraw/zinc/97/68/77/257976877.db2.gz FQNKFLPVVOJMFN-UHFFFAOYSA-N 0 0 332.241 4.935 50 0 EJAARN CCn1c2ccccc2nc1SCCOc1cc(C)ccc1C ZINC000334161010 258016188 /nfs/dbraw/zinc/01/61/88/258016188.db2.gz QWHXEVAEVIUEBU-UHFFFAOYSA-N 0 0 326.465 4.844 50 0 EJAARN Cc1nc(C(C)C)sc1CNC(=O)CCSCc1ccccc1 ZINC000299787845 258094246 /nfs/dbraw/zinc/09/42/46/258094246.db2.gz XXJORFINVAQORZ-UHFFFAOYSA-N 0 0 348.537 4.515 50 0 EJAARN COCCC[C@H]1CCCCN1C(=O)Nc1c(C)cc(C)cc1Cl ZINC000299792791 258098242 /nfs/dbraw/zinc/09/82/42/258098242.db2.gz GWYHSBHPSDLDLK-OAHLLOKOSA-N 0 0 338.879 4.770 50 0 EJAARN CC(C)[C@H](NC(=O)C1(c2ccc(Cl)cc2)CCC1)c1cccnc1 ZINC000299797150 258100909 /nfs/dbraw/zinc/10/09/09/258100909.db2.gz PAMVCKYBWYFTBE-SFHVURJKSA-N 0 0 342.870 4.670 50 0 EJAARN CSc1ccccc1NC(=O)N1CCC(c2cccc(O)c2)CC1 ZINC000299801809 258104659 /nfs/dbraw/zinc/10/46/59/258104659.db2.gz YELAGUMOGPTJLR-UHFFFAOYSA-N 0 0 342.464 4.526 50 0 EJAARN CCc1cccc(C)c1NC(=O)Cc1ccc(Br)cc1 ZINC000000455947 258048302 /nfs/dbraw/zinc/04/83/02/258048302.db2.gz NFVOOOCJOGKWNK-UHFFFAOYSA-N 0 0 332.241 4.501 50 0 EJAARN CCOC(=O)c1sc(Nc2ccc(Cl)c(Cl)c2)nc1C ZINC000000465805 258048559 /nfs/dbraw/zinc/04/85/59/258048559.db2.gz GBTWWLUTNGXGIU-UHFFFAOYSA-N 0 0 331.224 4.679 50 0 EJAARN CCCCOC(=O)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 ZINC000002534667 258050015 /nfs/dbraw/zinc/05/00/15/258050015.db2.gz NHNLSVJCIIEDOA-UHFFFAOYSA-N 0 0 332.783 4.516 50 0 EJAARN CCOc1ccc2cc(-c3csc(-c4ccccc4)n3)c(=O)oc2c1 ZINC000003352191 258050618 /nfs/dbraw/zinc/05/06/18/258050618.db2.gz YTISDFIVNNPSPP-UHFFFAOYSA-N 0 0 349.411 4.982 50 0 EJAARN Cc1ccc(NC(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc1 ZINC000006939464 258052795 /nfs/dbraw/zinc/05/27/95/258052795.db2.gz XDPRKGJLIHVMIE-CYBMUJFWSA-N 0 0 325.437 4.830 50 0 EJAARN CC(C)Cc1ccc([C@H](C)c2nc3c4ccccc4ncn3n2)cc1 ZINC000006939612 258052913 /nfs/dbraw/zinc/05/29/13/258052913.db2.gz QJCQBVUQVAPETK-HNNXBMFYSA-N 0 0 330.435 4.628 50 0 EJAARN Cc1nc2cc(N[C@H](C)C(=O)Nc3ccc(C(C)C)cc3)ccc2o1 ZINC000012536561 258054453 /nfs/dbraw/zinc/05/44/53/258054453.db2.gz ZGVOQMRYVHINLS-CYBMUJFWSA-N 0 0 337.423 4.699 50 0 EJAARN O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)[C@H]1CC=CCC1 ZINC000012625215 258055174 /nfs/dbraw/zinc/05/51/74/258055174.db2.gz YXRGBMULCHIBRW-INIZCTEOSA-N 0 0 325.383 4.591 50 0 EJAARN Cc1ccc2c(C)cc(SCc3ccc(C(N)=O)cc3)nc2c1C ZINC000012536769 258055202 /nfs/dbraw/zinc/05/52/02/258055202.db2.gz GCALYZDZXXTPAK-UHFFFAOYSA-N 0 0 336.460 4.551 50 0 EJAARN O=C(C[C@@H]1C=CCC1)NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000012625327 258055215 /nfs/dbraw/zinc/05/52/15/258055215.db2.gz WCNOWHAUKYEJBU-OAHLLOKOSA-N 0 0 325.383 4.591 50 0 EJAARN COc1ccc(CN(C(=O)c2cc3ccccc3o2)[C@@H](C)C2CC2)cc1 ZINC000012875883 258055556 /nfs/dbraw/zinc/05/55/56/258055556.db2.gz CAGIWEKXVMWXJY-HNNXBMFYSA-N 0 0 349.430 4.882 50 0 EJAARN COc1ccc(CN(C(=O)c2cc3ccccc3o2)[C@H](C)C2CC2)cc1 ZINC000012875893 258055656 /nfs/dbraw/zinc/05/56/56/258055656.db2.gz CAGIWEKXVMWXJY-OAHLLOKOSA-N 0 0 349.430 4.882 50 0 EJAARN COc1ccc2ccccc2c1CNc1ccc(-c2ccccn2)cn1 ZINC000097162787 258068645 /nfs/dbraw/zinc/06/86/45/258068645.db2.gz MSSWSEIQJPGSBZ-UHFFFAOYSA-N 0 0 341.414 4.918 50 0 EJAARN C[C@@H]1CN(Cc2ccc3ccccc3n2)Cc2cc(Cl)ccc2O1 ZINC000299768841 258082840 /nfs/dbraw/zinc/08/28/40/258082840.db2.gz KQRJKVNWEUKLLD-CQSZACIVSA-N 0 0 338.838 4.671 50 0 EJAARN Cc1ccc2ncc(C(=O)c3ccccc3)c(N3CCCCC3)c2c1 ZINC000036102715 132391062 /nfs/dbraw/zinc/39/10/62/132391062.db2.gz DZNSLLNJJCPIPP-UHFFFAOYSA-N 0 0 330.431 4.765 50 0 EJAARN CC(C)(C)C[C@H]1CCCN1C(=O)Nc1cccnc1N1CCCCC1 ZINC000061775928 132435427 /nfs/dbraw/zinc/43/54/27/132435427.db2.gz LMIPQECBHPXSQK-MRXNPFEDSA-N 0 0 344.503 4.504 50 0 EJAARN C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccncc1 ZINC000000198969 135646934 /nfs/dbraw/zinc/64/69/34/135646934.db2.gz PXQFZJJATBETDB-OXJNMPFZSA-N 0 0 343.430 4.674 50 0 EJAARN Cc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2ccc(Cl)cc2)C(=S)N1 ZINC000000424829 135649974 /nfs/dbraw/zinc/64/99/74/135649974.db2.gz GTGARCIYGCVLTN-CRAIPNDOSA-N 0 0 344.867 4.583 50 0 EJAARN COc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1Cl ZINC000000451360 135650903 /nfs/dbraw/zinc/65/09/03/135650903.db2.gz MPUXIEHMIOLJMV-UHFFFAOYSA-N 0 0 344.842 4.591 50 0 EJAARN Cc1sc2ncnc(N3CCCCC3)c2c1-c1ccc(F)cc1 ZINC000001016375 135653549 /nfs/dbraw/zinc/65/35/49/135653549.db2.gz IXAOTQBBLCWQJY-UHFFFAOYSA-N 0 0 327.428 4.796 50 0 EJAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccco1 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CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCCC2)c(C(C)C)c1 ZINC000000207523 563259996 /nfs/dbraw/zinc/25/99/96/563259996.db2.gz OLVHTKMCICZHET-UHFFFAOYSA-N 0 0 337.529 4.841 50 0 EJAARN O=Cc1cn(Cc2ccc(Cl)cc2)c2ccc(Br)cc12 ZINC000000336428 563285620 /nfs/dbraw/zinc/28/56/20/563285620.db2.gz LWNJVOCCPXQPDU-UHFFFAOYSA-N 0 0 348.627 4.918 50 0 EJAARN CCOc1c(Cl)cc(C(=O)NCc2ccc(C)cc2)cc1Cl ZINC000000463270 563327388 /nfs/dbraw/zinc/32/73/88/563327388.db2.gz KJRBKXLNKFYWKO-UHFFFAOYSA-N 0 0 338.234 4.631 50 0 EJAARN C[C@@]1(C(=O)NCc2ccco2)CC2c3ccccc3C1c1ccccc12 ZINC000000033324 563211771 /nfs/dbraw/zinc/21/17/71/563211771.db2.gz VFPSYDSGTZBDKM-YDPRHXJPSA-N 0 0 343.426 4.583 50 0 EJAARN COc1ccc(OC)c(NC(=O)c2sc3ccccc3c2Cl)c1 ZINC000000035562 563211912 /nfs/dbraw/zinc/21/19/12/563211912.db2.gz NHDHBKYGUJETGO-UHFFFAOYSA-N 0 0 347.823 4.824 50 0 EJAARN CC(=O)c1c(C)cc(C)c(CSc2nnc(-c3ccco3)o2)c1C ZINC000000034989 563211935 /nfs/dbraw/zinc/21/19/35/563211935.db2.gz CHOBFKIETWBHJP-UHFFFAOYSA-N 0 0 342.420 4.750 50 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336.439 4.502 50 0 EJAARN O=c1cc(C(F)(F)F)c2ccc(OCc3ccccc3F)cc2o1 ZINC000002988622 563467512 /nfs/dbraw/zinc/46/75/12/563467512.db2.gz ISXXIYXBGHFTHD-UHFFFAOYSA-N 0 0 338.256 4.530 50 0 EJAARN Clc1ccc(CSc2nnc(-c3ccco3)o2)c(Cl)c1 ZINC000003249501 563478098 /nfs/dbraw/zinc/47/80/98/563478098.db2.gz BCKPGVLPUHNDFL-UHFFFAOYSA-N 0 0 327.192 4.929 50 0 EJAARN Clc1ccc(CSc2nnc(-c3ccco3)o2)cc1Cl ZINC000003274508 563478431 /nfs/dbraw/zinc/47/84/31/563478431.db2.gz LJMZUFKPCOAXOF-UHFFFAOYSA-N 0 0 327.192 4.929 50 0 EJAARN Cc1ccc(C)c(Oc2ccc(NC(=O)c3ccc(F)cc3)cn2)c1 ZINC000034840303 563478856 /nfs/dbraw/zinc/47/88/56/563478856.db2.gz IBEMWXVVSZAXLB-UHFFFAOYSA-N 0 0 336.366 4.882 50 0 EJAARN Clc1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC000003293365 563478894 /nfs/dbraw/zinc/47/88/94/563478894.db2.gz WTFPNFUUVJRTPF-UHFFFAOYSA-N 0 0 343.883 4.998 50 0 EJAARN O=C(Nc1c(-c2cccc(Cl)c2)n[nH]c1C1CC1)c1cccs1 ZINC000034793670 563479127 /nfs/dbraw/zinc/47/91/27/563479127.db2.gz ZURICFULZRGHMA-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/73/31/13/563733113.db2.gz LTEDMHNSGDDJQX-UHFFFAOYSA-N 0 0 343.711 4.755 50 0 EJAARN Cc1ccc2[nH]cc(CCNC(=O)c3ccc(Cl)c(Cl)c3)c2c1 ZINC000013957959 563733115 /nfs/dbraw/zinc/73/31/15/563733115.db2.gz IDUQASRJFSFTHH-UHFFFAOYSA-N 0 0 347.245 4.756 50 0 EJAARN CCn1cc(C(=O)N(Cc2ccc(F)cc2)C2CC2)c2ccccc21 ZINC000032787690 563733869 /nfs/dbraw/zinc/73/38/69/563733869.db2.gz FHIDZPDXZLDJKM-UHFFFAOYSA-N 0 0 336.410 4.605 50 0 EJAARN C[C@H](Sc1n[nH]c(-c2ccccc2F)n1)c1ccc(F)cc1F ZINC000059926341 563737281 /nfs/dbraw/zinc/73/72/81/563737281.db2.gz KPGUCFYXWODQIX-VIFPVBQESA-N 0 0 335.354 4.742 50 0 EJAARN Clc1cc(Br)ccc1Oc1ncnc2ccccc21 ZINC000032806214 563740902 /nfs/dbraw/zinc/74/09/02/563740902.db2.gz WQBHDZLVWLEUDY-UHFFFAOYSA-N 0 0 335.588 4.838 50 0 EJAARN Cc1ccc2c(CC(=O)N[C@@H](C)CCc3ccccc3)coc2c1C ZINC000014125747 563743184 /nfs/dbraw/zinc/74/31/84/563743184.db2.gz AFMCKMRKADJWFX-INIZCTEOSA-N 0 0 335.447 4.730 50 0 EJAARN O=C(CCC(=O)c1ccc(Cl)s1)Nc1cccc2cccnc21 ZINC000014125114 563743299 /nfs/dbraw/zinc/74/32/99/563743299.db2.gz LIINVTHAKDNNRI-UHFFFAOYSA-N 0 0 344.823 4.551 50 0 EJAARN C[C@H](CCc1ccccc1)NC(=O)Cc1ccc(Cl)cc1Cl ZINC000014137544 563744485 /nfs/dbraw/zinc/74/44/85/563744485.db2.gz KVITUBIBKSQVEN-CYBMUJFWSA-N 0 0 336.262 4.673 50 0 EJAARN O=C(CCc1c2ccccc2[nH]c1-c1ccc(F)cc1)N1CCCC1 ZINC000014182807 563747823 /nfs/dbraw/zinc/74/78/23/563747823.db2.gz RLVMSMULNLJNNT-UHFFFAOYSA-N 0 0 336.410 4.529 50 0 EJAARN COCc1cccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)c1 ZINC000032819013 563749347 /nfs/dbraw/zinc/74/93/47/563749347.db2.gz LHMSNVWJWGVAAL-UHFFFAOYSA-N 0 0 332.403 4.829 50 0 EJAARN O=C(OCc1cccc(F)c1F)c1csc(-c2ccsc2)n1 ZINC000014199116 563749691 /nfs/dbraw/zinc/74/96/91/563749691.db2.gz MUOWZUFQWCESBO-UHFFFAOYSA-N 0 0 337.372 4.507 50 0 EJAARN Cc1cccc(NC(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)c1 ZINC000014206255 563750814 /nfs/dbraw/zinc/75/08/14/563750814.db2.gz NSXDOLKRVKPZPD-UHFFFAOYSA-N 0 0 334.419 4.838 50 0 EJAARN O=C(Nc1cccc(F)c1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000014207693 563750895 /nfs/dbraw/zinc/75/08/95/563750895.db2.gz FQXZPCCBOVOJAQ-UHFFFAOYSA-N 0 0 343.361 4.688 50 0 EJAARN Cc1ccc(NC(=O)c2cc3c(s2)CCCCCC3)c(C)c1O ZINC000032810032 563752426 /nfs/dbraw/zinc/75/24/26/563752426.db2.gz MPIMLTRAWULAHY-UHFFFAOYSA-N 0 0 329.465 4.982 50 0 EJAARN Oc1ccc(-c2csc(-c3ccc(Br)cc3)n2)c(O)c1 ZINC000014229043 563752769 /nfs/dbraw/zinc/75/27/69/563752769.db2.gz BZFPKDMMDHGBQK-UHFFFAOYSA-N 0 0 348.221 4.651 50 0 EJAARN O=C(CSC(c1ccccc1)c1ccccc1)Nc1nccs1 ZINC000014430021 563759292 /nfs/dbraw/zinc/75/92/92/563759292.db2.gz DXTHVMULACTUCK-UHFFFAOYSA-N 0 0 340.473 4.604 50 0 EJAARN Cc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)c(C)o1 ZINC000014603092 563761572 /nfs/dbraw/zinc/76/15/72/563761572.db2.gz KRWGJJGSOXTNAO-UHFFFAOYSA-N 0 0 338.432 4.761 50 0 EJAARN O=C(COc1ccccc1-c1ccccc1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000014598352 563761657 /nfs/dbraw/zinc/76/16/57/563761657.db2.gz DGIQSSMDGHEVFU-CTNGQTDRSA-N 0 0 349.474 4.914 50 0 EJAARN CCOc1cc2ccccc2cc1C(=O)N[C@H]1CCc2ccccc21 ZINC000014683116 563763010 /nfs/dbraw/zinc/76/30/10/563763010.db2.gz VEOQGDCYVGXFMK-FQEVSTJZSA-N 0 0 331.415 4.656 50 0 EJAARN Cc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2oc(=O)cc(C)c12 ZINC000004544913 563763346 /nfs/dbraw/zinc/76/33/46/563763346.db2.gz WYGRRFMOKRPREN-UHFFFAOYSA-N 0 0 343.597 4.556 50 0 EJAARN O=C(CCc1ccccc1)Nc1nc(-c2c[nH]c3ccccc32)cs1 ZINC000014711171 563763863 /nfs/dbraw/zinc/76/38/63/563763863.db2.gz FBSVQWXXUCGLBL-UHFFFAOYSA-N 0 0 347.443 4.863 50 0 EJAARN Cc1cc(C(=O)Nc2ccc3c(c2)OCO3)c(C)n1C1CCCCC1 ZINC000032850679 563763868 /nfs/dbraw/zinc/76/38/68/563763868.db2.gz FFLASUFIBBLUHA-UHFFFAOYSA-N 0 0 340.423 4.591 50 0 EJAARN CCc1cccc(CC)c1NC(=O)Cc1nc(-c2ccccc2)oc1C ZINC000014898921 563766828 /nfs/dbraw/zinc/76/68/28/563766828.db2.gz NKGHBIABIYLYDE-UHFFFAOYSA-N 0 0 348.446 4.956 50 0 EJAARN CC(C)=C[C@@H]1[C@H](C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)C1(C)C ZINC000015022294 563773913 /nfs/dbraw/zinc/77/39/13/563773913.db2.gz ITSBNEWNJSOISB-GFYURDRJSA-N 0 0 329.528 4.946 50 0 EJAARN CC(C)(C)[C@H]1CCc2c(sc3c2[C@H](c2cccnc2)CC(=O)N3)C1 ZINC000015106479 563777995 /nfs/dbraw/zinc/77/79/95/563777995.db2.gz YRKWTXYCIYWYJZ-ZFWWWQNUSA-N 0 0 340.492 4.768 50 0 EJAARN O=C(Nc1cccc(C(=O)c2ccccc2)c1)OCc1ccccc1 ZINC000015108581 563778384 /nfs/dbraw/zinc/77/83/84/563778384.db2.gz JIIAPEPUDYEMFJ-UHFFFAOYSA-N 0 0 331.371 4.666 50 0 EJAARN Clc1ccccc1-c1nnc(CN2CCC[C@H]2c2cccs2)o1 ZINC000015301429 563781430 /nfs/dbraw/zinc/78/14/30/563781430.db2.gz PUDNVISDPPVMSF-AWEZNQCLSA-N 0 0 345.855 4.789 50 0 EJAARN O=C(Nc1ccccc1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000015348675 563783536 /nfs/dbraw/zinc/78/35/36/563783536.db2.gz SHTNYXONMHVSAZ-UHFFFAOYSA-N 0 0 325.371 4.549 50 0 EJAARN COc1ccccc1-c1cc2nc(C)cc(Nc3ccc(F)cc3)n2n1 ZINC000015670920 563790308 /nfs/dbraw/zinc/79/03/08/563790308.db2.gz ZRWJJAGTVRNQRR-UHFFFAOYSA-N 0 0 348.381 4.596 50 0 EJAARN O=C(Nc1cccnc1)[C@@H]1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000032904764 563790689 /nfs/dbraw/zinc/79/06/89/563790689.db2.gz IAALHLOENOLSNC-CABCVRRESA-N 0 0 337.448 4.604 50 0 EJAARN Cc1c2ccc(C)cc2oc1C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000015833215 563793734 /nfs/dbraw/zinc/79/37/34/563793734.db2.gz QQVCMFQWOUIUAW-NSHDSACASA-N 0 0 340.448 4.883 50 0 EJAARN Cc1cc(O[C@H](C)C(=O)Nc2cccc3cccnc32)ccc1Cl ZINC000015835416 563794091 /nfs/dbraw/zinc/79/40/91/563794091.db2.gz IZEJJMYYJCUFHB-CYBMUJFWSA-N 0 0 340.810 4.603 50 0 EJAARN C[C@@H]1CC(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc2N1 ZINC000015838248 563794352 /nfs/dbraw/zinc/79/43/52/563794352.db2.gz NXWQQGJLYSJOLI-LLVKDONJSA-N 0 0 335.234 4.731 50 0 EJAARN Cc1cccc(C(=O)N[C@H](c2ccc(Cl)cc2)c2cccnc2)c1 ZINC000015839895 563795150 /nfs/dbraw/zinc/79/51/50/563795150.db2.gz BLSFSDFPTONGKG-LJQANCHMSA-N 0 0 336.822 4.563 50 0 EJAARN Cc1cccc(C(=O)N[C@H](c2cccnc2)c2cc(C)ccc2C)c1 ZINC000015839818 563795159 /nfs/dbraw/zinc/79/51/59/563795159.db2.gz PBVOATFKRWVGKI-OAQYLSRUSA-N 0 0 330.431 4.526 50 0 EJAARN CCOc1ccc(NC(=O)c2cccc(Cl)c2)c2cccnc12 ZINC000015840847 563795791 /nfs/dbraw/zinc/79/57/91/563795791.db2.gz OTHBCNJUGJBDRZ-UHFFFAOYSA-N 0 0 326.783 4.539 50 0 EJAARN CCCCOc1ccc(NC(=O)c2ccccc2C)c2cccnc12 ZINC000015841056 563795816 /nfs/dbraw/zinc/79/58/16/563795816.db2.gz PNVSCAJBOQKRFT-UHFFFAOYSA-N 0 0 334.419 4.974 50 0 EJAARN CCCc1cc([C@H]2CCCN2Cc2ccc(C(F)(F)F)cc2)no1 ZINC000015866882 563797883 /nfs/dbraw/zinc/79/78/83/563797883.db2.gz OSMKLDIBKPKJNF-QGZVFWFLSA-N 0 0 338.373 4.983 50 0 EJAARN CC(C)c1cc([C@H]2CCCN2Cc2c[nH]nc2-c2cccs2)no1 ZINC000015866872 563797911 /nfs/dbraw/zinc/79/79/11/563797911.db2.gz LHWMBBUVTYGXOJ-OAHLLOKOSA-N 0 0 342.468 4.587 50 0 EJAARN COc1ccc(-c2ccc(CCC(=O)Nc3ccc(C)cc3)o2)cc1 ZINC000015867361 563798922 /nfs/dbraw/zinc/79/89/22/563798922.db2.gz MYWPCCSHQYANMP-UHFFFAOYSA-N 0 0 335.403 4.835 50 0 EJAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1nc2ccccc2o1 ZINC000015913850 563799727 /nfs/dbraw/zinc/79/97/27/563799727.db2.gz FNUUPZLUHRSIRV-KEYYUXOJSA-N 0 0 347.480 4.924 50 0 EJAARN O=C(NC1CCCCC1)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000032908059 563800081 /nfs/dbraw/zinc/80/00/81/563800081.db2.gz MLOMALNKIMMNEW-JKSUJKDBSA-N 0 0 340.492 4.795 50 0 EJAARN C[C@H](NC(=O)c1ccccc1C(F)(F)F)c1cccc(Cl)c1 ZINC000016018197 563802199 /nfs/dbraw/zinc/80/21/99/563802199.db2.gz ZXDJHKUYXXEVFD-JTQLQIEISA-N 0 0 327.733 4.850 50 0 EJAARN Cc1nc(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)n(C)c2)cs1 ZINC000016200095 563805674 /nfs/dbraw/zinc/80/56/74/563805674.db2.gz DTUYETXULHQOBU-UHFFFAOYSA-N 0 0 345.855 4.671 50 0 EJAARN C[C@@H]1CCC[C@H](C)N1C(=O)CCCOc1ccc(Cl)cc1Cl ZINC000016310528 563808181 /nfs/dbraw/zinc/80/81/81/563808181.db2.gz DBIYUFJDAUQTLQ-BETUJISGSA-N 0 0 344.282 4.942 50 0 EJAARN C[C@@H]1c2cccn2CCN1C(=S)Nc1ccc(Cl)cc1Cl ZINC000016310226 563808230 /nfs/dbraw/zinc/80/82/30/563808230.db2.gz DOIZYZHTHQUGPS-SNVBAGLBSA-N 0 0 340.279 4.569 50 0 EJAARN Cc1cc(C)n(-c2cccc(NC(=O)c3ccc(Cl)cc3F)c2)n1 ZINC000032915524 563813536 /nfs/dbraw/zinc/81/35/36/563813536.db2.gz GSLMTJFHGJQQSG-UHFFFAOYSA-N 0 0 343.789 4.534 50 0 EJAARN Cc1occc1C(=O)Nc1nc(-c2cc(C)ccc2C)c(C)s1 ZINC000016603079 563816347 /nfs/dbraw/zinc/81/63/47/563816347.db2.gz JTPDAQUHMMQKAJ-UHFFFAOYSA-N 0 0 326.421 4.889 50 0 EJAARN Cc1cc(C)cc(NC(=O)c2cccc(OCc3cscn3)c2)c1 ZINC000016705969 563821502 /nfs/dbraw/zinc/82/15/02/563821502.db2.gz RNXCPRFXSHCZSI-UHFFFAOYSA-N 0 0 338.432 4.591 50 0 EJAARN Cc1ccc2occ(CC(=O)Nc3ccc(OC(F)F)cc3)c2c1 ZINC000016806325 563824424 /nfs/dbraw/zinc/82/44/24/563824424.db2.gz VPIHDNFOVGVXMV-UHFFFAOYSA-N 0 0 331.318 4.524 50 0 EJAARN Fc1cccc(CSc2nccn3nc(-c4ccccc4)cc23)c1 ZINC000016842531 563824844 /nfs/dbraw/zinc/82/48/44/563824844.db2.gz QIUVOGFLFBQSMP-UHFFFAOYSA-N 0 0 335.407 4.828 50 0 EJAARN S=C1N=C2c3ccccc3CCC2[C@H](c2ccc(Cl)cc2)N1 ZINC000016974581 563827564 /nfs/dbraw/zinc/82/75/64/563827564.db2.gz CEUVYLKUHIQWOL-INIZCTEOSA-N 0 0 326.852 4.628 50 0 EJAARN Cc1ccc(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)cc1C ZINC000017053008 563830325 /nfs/dbraw/zinc/83/03/25/563830325.db2.gz URKPDVIWMLQMJL-UHFFFAOYSA-N 0 0 349.825 4.829 50 0 EJAARN Cc1nc(NC(=O)/C=C\c2ccc(Cl)c(Cl)c2)sc1C ZINC000017066926 563831099 /nfs/dbraw/zinc/83/10/99/563831099.db2.gz GXFNYDHEIOFNBV-XQRVVYSFSA-N 0 0 327.236 4.719 50 0 EJAARN Cc1scc(-c2nnc(SCc3ccc(F)cc3)n2C)c1C ZINC000017068649 563832439 /nfs/dbraw/zinc/83/24/39/563832439.db2.gz QBKKKJXODCCLIF-UHFFFAOYSA-N 0 0 333.457 4.592 50 0 EJAARN CCC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000017070825 563833486 /nfs/dbraw/zinc/83/34/86/563833486.db2.gz NPXSZNKKFSGECD-UHFFFAOYSA-N 0 0 337.206 4.594 50 0 EJAARN CCOc1cc2c(cc1OCC)[C@@H](c1ccc(CC)cc1)CC(=O)N2 ZINC000017071125 563834000 /nfs/dbraw/zinc/83/40/00/563834000.db2.gz HVLGKKAHRLHWBL-MRXNPFEDSA-N 0 0 339.435 4.521 50 0 EJAARN Cc1ccc(C)c(N2C(=S)N=NC2CSCc2ccccc2)c1 ZINC000017071475 563834591 /nfs/dbraw/zinc/83/45/91/563834591.db2.gz RZWVLVLKXBQZPQ-UHFFFAOYSA-N 0 0 341.505 4.606 50 0 EJAARN S=c1[nH]nc(CSCc2ccccc2)n1CCc1ccccc1 ZINC000017071480 563834686 /nfs/dbraw/zinc/83/46/86/563834686.db2.gz HFZAAWRMSRLUDQ-UHFFFAOYSA-N 0 0 341.505 4.617 50 0 EJAARN S=C(Nc1ccc(Br)cc1)N1CCCc2ccccc21 ZINC000017072213 563835634 /nfs/dbraw/zinc/83/56/34/563835634.db2.gz UKLHHMWWKZSBGQ-UHFFFAOYSA-N 0 0 347.281 4.599 50 0 EJAARN Cc1ccccc1Nc1ncnc2c1cnn2-c1cccc(Cl)c1 ZINC000017136041 563838121 /nfs/dbraw/zinc/83/81/21/563838121.db2.gz GMJLHGCGDKZYJJ-UHFFFAOYSA-N 0 0 335.798 4.521 50 0 EJAARN Cc1ccc(SCc2ccc(C(=O)NCc3ccncc3)cc2)cc1 ZINC000017360228 563843420 /nfs/dbraw/zinc/84/34/20/563843420.db2.gz SXLCRXONHXFNBM-UHFFFAOYSA-N 0 0 348.471 4.612 50 0 EJAARN Cc1cc(C)cc(Oc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2)c1 ZINC000017988135 563847019 /nfs/dbraw/zinc/84/70/19/563847019.db2.gz JMCJYXSZLBMTGE-PMACEKPBSA-N 0 0 349.430 4.775 50 0 EJAARN Cc1cccc(C)c1Oc1ccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1 ZINC000018155798 563849682 /nfs/dbraw/zinc/84/96/82/563849682.db2.gz SCIWZTPUEVRHNT-KDURUIRLSA-N 0 0 349.430 4.775 50 0 EJAARN COc1ccc([C@@H]2Cc3[nH]cc(-c4ccccc4)c3C(=O)C2)cc1OC ZINC000018197856 563851002 /nfs/dbraw/zinc/85/10/02/563851002.db2.gz DAEMEIRIVJIXLG-MRXNPFEDSA-N 0 0 347.414 4.612 50 0 EJAARN Cc1cccc(Oc2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)c1C ZINC000018247317 563851661 /nfs/dbraw/zinc/85/16/61/563851661.db2.gz FFLMDJMTUUZMJA-OALUTQOASA-N 0 0 347.414 4.551 50 0 EJAARN COc1ccc(C(=O)OCc2cc3ccc(C)cc3nc2Cl)cc1 ZINC000032942979 563858956 /nfs/dbraw/zinc/85/89/56/563858956.db2.gz UIBSCUQQGMCIMX-UHFFFAOYSA-N 0 0 341.794 4.562 50 0 EJAARN O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1cccc(Cl)c1 ZINC000021577776 563861081 /nfs/dbraw/zinc/86/10/81/563861081.db2.gz LHCXGIYQRFZGNL-UHFFFAOYSA-N 0 0 332.806 4.722 50 0 EJAARN Cc1cc(C(=O)Nc2cccc(Cl)c2C)c2cnn(C(C)C)c2n1 ZINC000010808902 563861844 /nfs/dbraw/zinc/86/18/44/563861844.db2.gz IUXKATFMUWMBPU-UHFFFAOYSA-N 0 0 342.830 4.535 50 0 EJAARN C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCCc2ccccc21 ZINC000023693611 563867200 /nfs/dbraw/zinc/86/72/00/563867200.db2.gz PATBHJBSHWQEFQ-CYBMUJFWSA-N 0 0 339.826 4.904 50 0 EJAARN CC(=O)c1cccc(Oc2nc(-c3ccncc3)nc3ccccc32)c1 ZINC000024040881 563868454 /nfs/dbraw/zinc/86/84/54/563868454.db2.gz YHGJHXNTOCAVDX-UHFFFAOYSA-N 0 0 341.370 4.687 50 0 EJAARN O=C(N[C@@H](c1cc2ccccc2o1)c1ccccc1)[C@@H]1CC=CCC1 ZINC000024709022 563874488 /nfs/dbraw/zinc/87/44/88/563874488.db2.gz WNVKKJFOTZADNL-DYESRHJHSA-N 0 0 331.415 4.995 50 0 EJAARN O=C(Nc1ccncc1)c1cccnc1Sc1ccc(Cl)cc1 ZINC000024927441 563877890 /nfs/dbraw/zinc/87/78/90/563877890.db2.gz YHVYOYQHTLRRAX-UHFFFAOYSA-N 0 0 341.823 4.534 50 0 EJAARN Cc1ccc(C)c(Sc2ncccc2C(=O)Nc2cccc(C)n2)c1 ZINC000025320855 563883285 /nfs/dbraw/zinc/88/32/85/563883285.db2.gz ZLNZAIWBCQQOER-UHFFFAOYSA-N 0 0 349.459 4.805 50 0 EJAARN COc1ccc(Nc2ncnc3ccsc32)cc1OC1CCCC1 ZINC000025577476 563886098 /nfs/dbraw/zinc/88/60/98/563886098.db2.gz JAKSHVIEEHKQAT-UHFFFAOYSA-N 0 0 341.436 4.765 50 0 EJAARN C[C@H](NC(=O)CCN1c2ccccc2Sc2ccccc21)C1CC1 ZINC000025593197 563886461 /nfs/dbraw/zinc/88/64/61/563886461.db2.gz DVVMCFYDGXGZJH-AWEZNQCLSA-N 0 0 338.476 4.594 50 0 EJAARN CC(C)c1ccc(-c2nc(C(=O)N(C)[C@@H](C)C3CC3)cs2)cc1 ZINC000025716312 563887695 /nfs/dbraw/zinc/88/76/95/563887695.db2.gz HIQUAIMOMVODFY-ZDUSSCGKSA-N 0 0 328.481 4.804 50 0 EJAARN O=C1CCc2c1cccc2OCc1ncc(-c2cccc(Cl)c2)o1 ZINC000025828914 563888817 /nfs/dbraw/zinc/88/88/17/563888817.db2.gz HKOIQPKXBNPLQY-UHFFFAOYSA-N 0 0 339.778 4.703 50 0 EJAARN CC(C)CNC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000026159840 563890227 /nfs/dbraw/zinc/89/02/27/563890227.db2.gz ZBZXWOCYPGXYNE-UHFFFAOYSA-N 0 0 348.446 4.713 50 0 EJAARN Cc1ccc(C)c(OCCCN2c3cccc4cccc(c34)C2=O)c1 ZINC000026396084 563891552 /nfs/dbraw/zinc/89/15/52/563891552.db2.gz MAKORYWUIHFXNY-UHFFFAOYSA-N 0 0 331.415 4.886 50 0 EJAARN COC1(OC)CCC2=C(C[C@@H](C)[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]23)C1 ZINC000026892511 563893961 /nfs/dbraw/zinc/89/39/61/563893961.db2.gz RKALVZFWSBYRNC-HIHRSEIJSA-N 0 0 332.484 4.507 50 0 EJAARN C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2cccc(Cl)c2)C2CC2)o1 ZINC000027285676 563895109 /nfs/dbraw/zinc/89/51/09/563895109.db2.gz OFICAEGXWAGWLB-SJCJKPOMSA-N 0 0 329.827 4.861 50 0 EJAARN O=C(Cc1cccc2ccccc21)Nc1nc(-c2ccccc2)ns1 ZINC000027749030 563899291 /nfs/dbraw/zinc/89/92/91/563899291.db2.gz RVHKFRBTEKAKNS-UHFFFAOYSA-N 0 0 345.427 4.540 50 0 EJAARN Cc1cc(C)c2oc(C(=O)Nc3cccc4ccccc43)cc(=O)c2c1 ZINC000027740522 563899317 /nfs/dbraw/zinc/89/93/17/563899317.db2.gz SRCCSIPAPHPXNQ-UHFFFAOYSA-N 0 0 343.382 4.815 50 0 EJAARN O=C(c1ccc(F)cc1)N(Cc1ccco1)c1ccc(Cl)cc1 ZINC000027795261 563899677 /nfs/dbraw/zinc/89/96/77/563899677.db2.gz LPYIQKNSFCBOLD-UHFFFAOYSA-N 0 0 329.758 4.919 50 0 EJAARN Cc1c2ccc(Br)cc2oc1C(=O)Nc1ccccc1F ZINC000028228459 563901720 /nfs/dbraw/zinc/90/17/20/563901720.db2.gz OWILFGINRGBTQE-UHFFFAOYSA-N 0 0 348.171 4.895 50 0 EJAARN O=C(c1cccc(Cl)c1)N(Cc1ccco1)Cc1cccs1 ZINC000028231856 563901906 /nfs/dbraw/zinc/90/19/06/563901906.db2.gz YAVJEADVMABWJQ-UHFFFAOYSA-N 0 0 331.824 4.837 50 0 EJAARN CCCSc1ncc(Cl)c(-c2nnc(-c3ccccc3C)o2)n1 ZINC000028287735 563902011 /nfs/dbraw/zinc/90/20/11/563902011.db2.gz MXEUULQDCRFEIT-UHFFFAOYSA-N 0 0 346.843 4.658 50 0 EJAARN CC(C)c1ccc(OC[C@@H](C)NC(=O)c2ccc(Cl)cc2)cc1 ZINC000028290925 563902201 /nfs/dbraw/zinc/90/22/01/563902201.db2.gz AOCOOAXDMOFETL-CQSZACIVSA-N 0 0 331.843 4.661 50 0 EJAARN O=C(c1cccc(Cl)c1)N(Cc1cccc(F)c1)c1ccccn1 ZINC000028292163 563902294 /nfs/dbraw/zinc/90/22/94/563902294.db2.gz LMZUCJLXCGVBSU-UHFFFAOYSA-N 0 0 340.785 4.721 50 0 EJAARN Cc1cccc(Cc2cnc(NC(=O)N(C)CC3CCCC3)s2)c1 ZINC000072277124 563903520 /nfs/dbraw/zinc/90/35/20/563903520.db2.gz GJGALDBHFHXQOX-UHFFFAOYSA-N 0 0 343.496 4.696 50 0 EJAARN O=C(Nc1nnc(C2CCCCC2)s1)c1csc2c1CCCC2 ZINC000029088611 563904872 /nfs/dbraw/zinc/90/48/72/563904872.db2.gz OYRCFXSPDODLLN-UHFFFAOYSA-N 0 0 347.509 4.778 50 0 EJAARN CS[C@H](C)c1cccc(NC(=O)N[C@@H](C)c2c(C)noc2C)c1 ZINC000072283391 563905925 /nfs/dbraw/zinc/90/59/25/563905925.db2.gz OBTXRHLOSAHQOR-GXFFZTMASA-N 0 0 333.457 4.598 50 0 EJAARN C[C@H](NC(=O)Nc1ccccc1SC(F)F)c1cccs1 ZINC000043552892 563906512 /nfs/dbraw/zinc/90/65/12/563906512.db2.gz IJIZOGMIATXVFU-VIFPVBQESA-N 0 0 328.409 4.946 50 0 EJAARN Cc1ccoc1C(=O)Nc1c(F)cccc1OCc1ccccc1 ZINC000072285681 563907201 /nfs/dbraw/zinc/90/72/01/563907201.db2.gz CDBQSLKVDYUKPS-UHFFFAOYSA-N 0 0 325.339 4.558 50 0 EJAARN Cc1ccc(-c2noc(CN(C)[C@@H](C)c3cc4ccccc4o3)n2)cc1 ZINC000030005598 563909153 /nfs/dbraw/zinc/90/91/53/563909153.db2.gz ZKUFMGCWHBIBRU-HNNXBMFYSA-N 0 0 347.418 4.984 50 0 EJAARN O=C(c1ccc2c(c1)CCC2)N(Cc1ccco1)Cc1ccccc1 ZINC000030223506 563909609 /nfs/dbraw/zinc/90/96/09/563909609.db2.gz XEOOYGHTTQOXGJ-UHFFFAOYSA-N 0 0 331.415 4.611 50 0 EJAARN Cc1ccc(C(=O)[C@H](Sc2cnccn2)c2ccc(C)cc2)cc1 ZINC000072298277 563912307 /nfs/dbraw/zinc/91/23/07/563912307.db2.gz IYJMEZALYPUXBW-HXUWFJFHSA-N 0 0 334.444 4.810 50 0 EJAARN Cc1noc(C)c1[C@H]1CCCN1C(=O)Nc1ccc(C)cc1Cl ZINC000033270529 563915560 /nfs/dbraw/zinc/91/55/60/563915560.db2.gz DUNHUGIJPQVSCI-OAHLLOKOSA-N 0 0 333.819 4.622 50 0 EJAARN CCc1onc(C)c1[C@H]1CCCN1C(=O)Nc1ccccc1Cl ZINC000033270640 563915640 /nfs/dbraw/zinc/91/56/40/563915640.db2.gz ICYBJYYJJNDHFQ-CQSZACIVSA-N 0 0 333.819 4.568 50 0 EJAARN CSc1ccccc1C(=O)Nc1cnccc1-c1cccc(F)c1 ZINC000177543879 563916238 /nfs/dbraw/zinc/91/62/38/563916238.db2.gz RSMUEXDPSKVJCS-UHFFFAOYSA-N 0 0 338.407 4.862 50 0 EJAARN CCC(=O)Nc1nc2ccc(NC(=O)CCC3CCCC3)cc2s1 ZINC000032961126 563916709 /nfs/dbraw/zinc/91/67/09/563916709.db2.gz XSCUENZLJBLKJK-UHFFFAOYSA-N 0 0 345.468 4.554 50 0 EJAARN COc1ccc(OC)c2c(C)cc(NCc3cccc(Cl)c3)nc12 ZINC000005007494 563919173 /nfs/dbraw/zinc/91/91/73/563919173.db2.gz OLXPJRIFAPJCPB-UHFFFAOYSA-N 0 0 342.826 4.826 50 0 EJAARN Nc1nc2c(o1)oc1nc(-c3ccccc3)cc(-c3ccccc3)c21 ZINC000006704078 563919270 /nfs/dbraw/zinc/91/92/70/563919270.db2.gz DMAJUPWPAVHZQJ-UHFFFAOYSA-N 0 0 327.343 4.885 50 0 EJAARN CC1CCN(c2ccc(-c3noc(Cc4cccs4)n3)cc2)CC1 ZINC000032975280 563920414 /nfs/dbraw/zinc/92/04/14/563920414.db2.gz OBMOJMKDKMARFU-UHFFFAOYSA-N 0 0 339.464 4.625 50 0 EJAARN CC1CCN(c2ccc(-c3noc(-c4cccs4)n3)cc2)CC1 ZINC000032975276 563920415 /nfs/dbraw/zinc/92/04/15/563920415.db2.gz JCBQAJFQRYQQNX-UHFFFAOYSA-N 0 0 325.437 4.701 50 0 EJAARN Cc1nc(C)c(C(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)s1 ZINC000032978380 563920521 /nfs/dbraw/zinc/92/05/21/563920521.db2.gz FWRLPFVIEXYFBL-CYBMUJFWSA-N 0 0 336.460 4.918 50 0 EJAARN CCc1cc2c(nc(-c3ccccc3)nc2NCc2ccccn2)s1 ZINC000041090361 563924138 /nfs/dbraw/zinc/92/41/38/563924138.db2.gz RKDKCZVQKXIZMG-UHFFFAOYSA-N 0 0 346.459 4.928 50 0 EJAARN CCc1cccc(C)c1NC(=S)N(CCOC)[C@H](C)c1ccco1 ZINC000013543377 563929809 /nfs/dbraw/zinc/92/98/09/563929809.db2.gz ZMBHSMIJKMIZFM-OAHLLOKOSA-N 0 0 346.496 4.557 50 0 EJAARN O=C(Nc1cccc(C[NH+]2CCCCC2)c1)N1CC[C@@H]1c1ccccc1 ZINC000047852314 563929811 /nfs/dbraw/zinc/92/98/11/563929811.db2.gz HHLCHWCEVUYATN-OAQYLSRUSA-N 0 0 349.478 4.651 50 0 EJAARN Cc1ccc([C@H]2CCN(C(=S)Nc3cccc(Cl)c3)C2)cc1 ZINC000013543645 563929830 /nfs/dbraw/zinc/92/98/30/563929830.db2.gz CEMOOTYSHFFJLN-HNNXBMFYSA-N 0 0 330.884 4.835 50 0 EJAARN COCCN(C(=S)Nc1c(C)cccc1C)[C@H](C)c1cccs1 ZINC000013544690 563929968 /nfs/dbraw/zinc/92/99/68/563929968.db2.gz MEUGQKQALBAUOQ-OAHLLOKOSA-N 0 0 348.537 4.771 50 0 EJAARN COc1ccccc1NC(=S)N(Cc1cccs1)C1CCCC1 ZINC000013573344 563930384 /nfs/dbraw/zinc/93/03/84/563930384.db2.gz ZKLDYDCSNHFFOV-UHFFFAOYSA-N 0 0 346.521 4.898 50 0 EJAARN CCCCN(Cc1ccsc1)C(=O)c1cccc(NC(=O)CC)c1 ZINC000055282802 563934302 /nfs/dbraw/zinc/93/43/02/563934302.db2.gz LCMXMFPXGHFUAC-UHFFFAOYSA-N 0 0 344.480 4.539 50 0 EJAARN Cc1cnn([C@@H](C)C2CC2)c1NC(=O)c1ccc(CC(C)C)cc1 ZINC000055326326 563934393 /nfs/dbraw/zinc/93/43/93/563934393.db2.gz RNHDKCVEDSXSPG-HNNXBMFYSA-N 0 0 325.456 4.613 50 0 EJAARN O=C(NCc1ccoc1)Nc1ccccc1-c1nc2ccccc2s1 ZINC000058158794 563938145 /nfs/dbraw/zinc/93/81/45/563938145.db2.gz OIQJRCOSJGCXDU-UHFFFAOYSA-N 0 0 349.415 4.878 50 0 EJAARN O=C(Nc1ccccc1Cl)N1CCCC[C@H]1Cc1ccccc1 ZINC000058160009 563938314 /nfs/dbraw/zinc/93/83/14/563938314.db2.gz ZPKLGNLUKMGYCA-INIZCTEOSA-N 0 0 328.843 4.969 50 0 EJAARN C[S@@](=O)Cc1ccc(Cl)c(NCc2ccc(Cl)s2)c1 ZINC000096453613 563953784 /nfs/dbraw/zinc/95/37/84/563953784.db2.gz KDYKUYOAUSIHPX-IBGZPJMESA-N 0 0 334.293 4.546 50 0 EJAARN CC(C)[C@@H](C)NC(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000058171963 563938837 /nfs/dbraw/zinc/93/88/37/563938837.db2.gz WEJZORKEUJBNFZ-CYBMUJFWSA-N 0 0 349.450 4.511 50 0 EJAARN C[C@H](c1cccs1)N(C)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000058174605 563938983 /nfs/dbraw/zinc/93/89/83/563938983.db2.gz ZVKXFFIYSXIBNL-SNVBAGLBSA-N 0 0 340.279 4.896 50 0 EJAARN C[C@H](Sc1ccccc1)C(=O)Nc1cc(-n2cccc2)ccc1F ZINC000058175082 563939063 /nfs/dbraw/zinc/93/90/63/563939063.db2.gz HHHRQDWNVUIHNH-AWEZNQCLSA-N 0 0 340.423 4.736 50 0 EJAARN CC(C)C[C@@H](C)N(C(=O)COC1CCCC1)c1ccc2[nH]ccc2c1 ZINC000058222829 563940276 /nfs/dbraw/zinc/94/02/76/563940276.db2.gz TYYMOWHOYMHMFA-MRXNPFEDSA-N 0 0 342.483 4.895 50 0 EJAARN Cc1[nH]c2ccc(C(=O)N3CCCCC[C@@H]3c3ccncc3)cc2c1C ZINC000058261705 563940995 /nfs/dbraw/zinc/94/09/95/563940995.db2.gz YREOTTVRZWSXSQ-OAQYLSRUSA-N 0 0 347.462 4.937 50 0 EJAARN Cc1cn2cc(NC(=O)c3cc(C(C)C)nc4ccccc43)ccc2n1 ZINC000058406981 563945157 /nfs/dbraw/zinc/94/51/57/563945157.db2.gz RLRVRIACJLGUQN-UHFFFAOYSA-N 0 0 344.418 4.567 50 0 EJAARN Cc1ccc2nc(C)c(C(=O)N3CCCCc4ccccc43)cc2c1 ZINC000058413218 563945340 /nfs/dbraw/zinc/94/53/40/563945340.db2.gz KCSQQZPISXQDRG-UHFFFAOYSA-N 0 0 330.431 4.835 50 0 EJAARN CCCOc1cc(C)ccc1NC(=O)NCCSC1CCCC1 ZINC000058412942 563945360 /nfs/dbraw/zinc/94/53/60/563945360.db2.gz VADTWWNMXPSAHO-UHFFFAOYSA-N 0 0 336.501 4.581 50 0 EJAARN Cc1ccc(NC(=O)c2ccc(OCC3CC3)cc2)c2cccnc12 ZINC000058434042 563946363 /nfs/dbraw/zinc/94/63/63/563946363.db2.gz SCFWQTYQCFOUDH-UHFFFAOYSA-N 0 0 332.403 4.584 50 0 EJAARN Cc1cc(C)c2c(-c3ccccc3)nc(SCc3ccccn3)n2n1 ZINC000058450752 563946601 /nfs/dbraw/zinc/94/66/01/563946601.db2.gz PGPZCXATLADZBJ-UHFFFAOYSA-N 0 0 346.459 4.700 50 0 EJAARN CN(C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1)C1CC1 ZINC000059402998 563948952 /nfs/dbraw/zinc/94/89/52/563948952.db2.gz DZQLTHTYEAXYQO-UHFFFAOYSA-N 0 0 335.325 4.732 50 0 EJAARN C[C@H](c1ccco1)N(C(=O)Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000060017522 563949573 /nfs/dbraw/zinc/94/95/73/563949573.db2.gz AWDQMOSTQGOAQG-GFCCVEGCSA-N 0 0 337.341 4.593 50 0 EJAARN CC[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2)c2ccccc2S1 ZINC000033059293 563951733 /nfs/dbraw/zinc/95/17/33/563951733.db2.gz XMSRXEDRLBVZFH-OAHLLOKOSA-N 0 0 346.883 4.669 50 0 EJAARN CO[C@H](C)c1cccc(NC(=O)N(CCC(F)(F)F)C2CCC2)c1 ZINC000096460875 563953998 /nfs/dbraw/zinc/95/39/98/563953998.db2.gz LGRSXJKTDAIWIX-GFCCVEGCSA-N 0 0 344.377 4.733 50 0 EJAARN CC(C)n1cc2cc(C(=O)NCc3ccc(Cl)cc3)sc2c1 ZINC000097944829 563956578 /nfs/dbraw/zinc/95/65/78/563956578.db2.gz HERUFHVWEBATRR-UHFFFAOYSA-N 0 0 332.856 4.867 50 0 EJAARN Cc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000064983852 563957270 /nfs/dbraw/zinc/95/72/70/563957270.db2.gz ZTFDMLZODWEQRV-FQEVSTJZSA-N 0 0 343.492 4.609 50 0 EJAARN CC(C)c1cc([C@@H]2CCCN2Cc2ccccc2Br)on1 ZINC000064984444 563957488 /nfs/dbraw/zinc/95/74/88/563957488.db2.gz SRESVXJNNDPOLP-INIZCTEOSA-N 0 0 349.272 4.898 50 0 EJAARN CCCc1cc([C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)no1 ZINC000064984589 563957673 /nfs/dbraw/zinc/95/76/73/563957673.db2.gz DGTOGQMGBSXJRP-MRXNPFEDSA-N 0 0 333.819 4.650 50 0 EJAARN CC(C)c1cc([C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)no1 ZINC000064984586 563957675 /nfs/dbraw/zinc/95/76/75/563957675.db2.gz RYWATHAWTIZJDW-OAHLLOKOSA-N 0 0 333.819 4.820 50 0 EJAARN CCc1cc([C@H]2CCCN2C(=O)Nc2cccc(Cl)c2C)on1 ZINC000064985100 563957879 /nfs/dbraw/zinc/95/78/79/563957879.db2.gz DWMYERYVHKFBEO-OAHLLOKOSA-N 0 0 333.819 4.568 50 0 EJAARN Cc1nc([C@@H](C)n2cnc(-c3ccccc3)c2-c2ccncc2)cs1 ZINC000065383336 563959157 /nfs/dbraw/zinc/95/91/57/563959157.db2.gz AQZLFIIQYFNRFD-CQSZACIVSA-N 0 0 346.459 4.986 50 0 EJAARN Cc1nc(-c2c(-c3ccccc3)ncn2CCc2cccs2)c[nH]1 ZINC000065396686 563959733 /nfs/dbraw/zinc/95/97/33/563959733.db2.gz KMLHGZGYQTUDFH-UHFFFAOYSA-N 0 0 334.448 4.553 50 0 EJAARN Cc1ccsc1-c1c(-c2ccccc2)ncn1Cc1cnc(C)cn1 ZINC000065426950 563960657 /nfs/dbraw/zinc/96/06/57/563960657.db2.gz 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/nfs/dbraw/zinc/96/35/20/563963520.db2.gz PGLMDNORPORIJZ-UHFFFAOYSA-N 0 0 346.382 4.687 50 0 EJAARN COCCCN(C(=S)Nc1cc(C)cc(C)c1)[C@@H](C)c1ccco1 ZINC000004669658 563963608 /nfs/dbraw/zinc/96/36/08/563963608.db2.gz ORNXLVSJIGXQAP-INIZCTEOSA-N 0 0 346.496 4.693 50 0 EJAARN Cc1[nH]c2ccccc2c1CCNc1ncnc2c3ccccc3oc21 ZINC000004686436 563964027 /nfs/dbraw/zinc/96/40/27/563964027.db2.gz FDBBWPYUCVGASJ-UHFFFAOYSA-N 0 0 342.402 4.820 50 0 EJAARN CSc1ccc([C@H]2CC(=O)Nc3c2cnn3C2CCCC2)cc1 ZINC000071283289 563964124 /nfs/dbraw/zinc/96/41/24/563964124.db2.gz CWZLMCLMWHCXDX-OAHLLOKOSA-N 0 0 327.453 4.844 50 0 EJAARN CCc1nn2c(nccc2-c2ccc(F)cc2)c1-c1ccc(F)cc1 ZINC000071376520 563964201 /nfs/dbraw/zinc/96/42/01/563964201.db2.gz RTALFLNVBOEDJY-UHFFFAOYSA-N 0 0 335.357 4.904 50 0 EJAARN CC(C)c1ccc(C(=O)Nc2nnc(Cc3ccccc3)s2)cc1 ZINC000004695014 563964578 /nfs/dbraw/zinc/96/45/78/563964578.db2.gz AIWZGKIWRLYURM-UHFFFAOYSA-N 0 0 337.448 4.505 50 0 EJAARN CC(C)c1cc(Cn2ccnc2-c2ccc([C@H]3CCCO3)s2)on1 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CC(C)Sc1ncccc1C(=O)N(C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000048249426 564030213 /nfs/dbraw/zinc/03/02/13/564030213.db2.gz RTEWZZYNAUKXIY-CJNGLKHVSA-N 0 0 344.480 4.571 50 0 EJAARN Fc1ccc(-c2nc(CN3CCC[C@@H]3c3cccc(F)c3)co2)cc1 ZINC000048261338 564030293 /nfs/dbraw/zinc/03/02/93/564030293.db2.gz HRKLLYNARTXRAF-LJQANCHMSA-N 0 0 340.373 4.957 50 0 EJAARN C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000048252046 564030421 /nfs/dbraw/zinc/03/04/21/564030421.db2.gz JKUDXXQIZYSUOX-CQSZACIVSA-N 0 0 345.402 4.656 50 0 EJAARN COc1ccc2oc(C)c(C(=O)N(C)Cc3ccc(C)cc3C)c2c1 ZINC000048288352 564030524 /nfs/dbraw/zinc/03/05/24/564030524.db2.gz ZEWMXBVJQSZVLV-UHFFFAOYSA-N 0 0 337.419 4.639 50 0 EJAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2ccccc2)cn1 ZINC000048290754 564030564 /nfs/dbraw/zinc/03/05/64/564030564.db2.gz JZHLXDINXZGJIR-UHFFFAOYSA-N 0 0 338.794 4.663 50 0 EJAARN Cn1cc(Cl)cc1C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000048302941 564030848 /nfs/dbraw/zinc/03/08/48/564030848.db2.gz AIPFERUUQUNJTJ-UHFFFAOYSA-N 0 0 325.799 4.674 50 0 EJAARN CC(C)C[C@H](NC(=O)c1nc(Cl)ccc1Cl)c1cccs1 ZINC000048324711 564030939 /nfs/dbraw/zinc/03/09/39/564030939.db2.gz QEFFZWDUXDBTSZ-NSHDSACASA-N 0 0 343.279 4.967 50 0 EJAARN CCn1c2ccccc2c2cc(NC(=O)Nc3cc(C)on3)ccc21 ZINC000048326148 564031009 /nfs/dbraw/zinc/03/10/09/564031009.db2.gz SGIWBPIHQBONAA-UHFFFAOYSA-N 0 0 334.379 4.755 50 0 EJAARN Cc1nn(C(C)C)c(C)c1NC(=O)Nc1cccc2c1CCCC2 ZINC000048333377 564031103 /nfs/dbraw/zinc/03/11/03/564031103.db2.gz VKZQGVJLJSQHQC-UHFFFAOYSA-N 0 0 326.444 4.604 50 0 EJAARN Cc1occc1C(=O)Nc1ncc(Cc2ccc(C)c(C)c2)s1 ZINC000048334033 564031116 /nfs/dbraw/zinc/03/11/16/564031116.db2.gz GCLFYDLFKIHXCN-UHFFFAOYSA-N 0 0 326.421 4.504 50 0 EJAARN CCCCc1nc2cc(NC(=O)c3ccc(F)cc3Cl)ccc2[nH]1 ZINC000048333264 564031119 /nfs/dbraw/zinc/03/11/19/564031119.db2.gz VKXIOJZEQFPQFK-UHFFFAOYSA-N 0 0 345.805 4.950 50 0 EJAARN C[C@@H](NC(=O)Nc1ccccc1-n1cccn1)c1cc2ccccc2o1 ZINC000048345691 564031292 /nfs/dbraw/zinc/03/12/92/564031292.db2.gz PZLAJHVWJSXWCS-CQSZACIVSA-N 0 0 346.390 4.501 50 0 EJAARN Cc1ccccc1[C@H](C)NC(=O)CSCCCc1ccccc1 ZINC000048354563 564031337 /nfs/dbraw/zinc/03/13/37/564031337.db2.gz DJPITBNPTDGTPA-KRWDZBQOSA-N 0 0 327.493 4.538 50 0 EJAARN CCOCCOCc1cccc(NC(=O)Nc2ccc(Cl)cc2)c1 ZINC000048356313 564031372 /nfs/dbraw/zinc/03/13/72/564031372.db2.gz CWIFFTJHCDUYKU-UHFFFAOYSA-N 0 0 348.830 4.537 50 0 EJAARN CC(C)Oc1ccc([C@H]2CC(=O)Nc3c2cnn3C(C)(C)C)cc1 ZINC000049546261 564032787 /nfs/dbraw/zinc/03/27/87/564032787.db2.gz KXEPGXINPLSICV-OAHLLOKOSA-N 0 0 327.428 4.549 50 0 EJAARN CC(C)(C)C(=O)NC[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000049929846 564032922 /nfs/dbraw/zinc/03/29/22/564032922.db2.gz IBIRPELRYMRGLI-OAHLLOKOSA-N 0 0 326.465 4.524 50 0 EJAARN CCSc1ccc(C(=O)Nc2nc(-c3cccnc3)cs2)cc1 ZINC000005203642 564033167 /nfs/dbraw/zinc/03/31/67/564033167.db2.gz NCJJWFBYFNJQPX-UHFFFAOYSA-N 0 0 341.461 4.569 50 0 EJAARN Cc1ccc(NC(=O)N2CCC(Oc3ccccc3)CC2)cc1Cl ZINC000051424001 564033220 /nfs/dbraw/zinc/03/32/20/564033220.db2.gz IPIJPDBJOLCBNB-UHFFFAOYSA-N 0 0 344.842 4.724 50 0 EJAARN CCn1cc(CCC(=O)NCc2ccc(Cl)cc2)c2ccccc21 ZINC000006857974 564033657 /nfs/dbraw/zinc/03/36/57/564033657.db2.gz WTGBFCCSEWDKDY-UHFFFAOYSA-N 0 0 340.854 4.564 50 0 EJAARN C[C@@H](Sc1nnc(N2CCC(C)CC2)n1C1CC1)c1ccccc1 ZINC000024828949 564034004 /nfs/dbraw/zinc/03/40/04/564034004.db2.gz LYQOMXUBHYSOIY-OAHLLOKOSA-N 0 0 342.512 4.703 50 0 EJAARN Cc1ccsc1-c1nnc2c3ccccc3c(-c3ccccc3)nn12 ZINC000012322466 564034108 /nfs/dbraw/zinc/03/41/08/564034108.db2.gz NMFYONUZOZKLLF-UHFFFAOYSA-N 0 0 342.427 4.981 50 0 EJAARN c1cc(-c2nc(COc3ccc(-c4nnco4)cc3)cs2)cs1 ZINC000007764787 564034473 /nfs/dbraw/zinc/03/44/73/564034473.db2.gz JKXISKUBNZBYHO-UHFFFAOYSA-N 0 0 341.417 4.501 50 0 EJAARN CCOc1ccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)cc1 ZINC000007942846 564034561 /nfs/dbraw/zinc/03/45/61/564034561.db2.gz NUCGMGBQUMPWGW-UHFFFAOYSA-N 0 0 347.414 4.840 50 0 EJAARN CC(C)[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000007924303 564034564 /nfs/dbraw/zinc/03/45/64/564034564.db2.gz DOGJVIWQJVENEH-SFHVURJKSA-N 0 0 335.369 4.761 50 0 EJAARN Cc1ccc(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc1 ZINC000008115136 564034805 /nfs/dbraw/zinc/03/48/05/564034805.db2.gz RRSYOAHBCNESJU-FQEVSTJZSA-N 0 0 333.456 4.844 50 0 EJAARN O=C(CCCc1ccccc1)NCCc1ccc(-c2ccoc2)s1 ZINC000390831668 564035085 /nfs/dbraw/zinc/03/50/85/564035085.db2.gz UANLFUWDOFYVNP-UHFFFAOYSA-N 0 0 339.460 4.690 50 0 EJAARN O=C(c1csc(Nc2cccc3ccccc32)n1)N1CCCCC1 ZINC000000819413 564035307 /nfs/dbraw/zinc/03/53/07/564035307.db2.gz SKWQHDKLDPXAFD-UHFFFAOYSA-N 0 0 337.448 4.666 50 0 EJAARN COc1ccccc1CC(=O)Nc1ccccc1Oc1cccc(C)c1 ZINC000008345139 564035395 /nfs/dbraw/zinc/03/53/95/564035395.db2.gz YBGBGICDSSHTRL-UHFFFAOYSA-N 0 0 347.414 4.977 50 0 EJAARN Cc1ccc(N[C@H](c2ccc(O)cc2)[P@@]2(=O)OCC[C@@H](C)O2)cc1 ZINC000223971551 564041306 /nfs/dbraw/zinc/04/13/06/564041306.db2.gz MVCYMXFPPSIAHN-NMCNPDOESA-N 0 0 347.351 4.830 50 0 EJAARN COc1ccc2cc(CN(Cc3ccco3)C3CC3)c(Cl)nc2c1 ZINC000028072790 564043620 /nfs/dbraw/zinc/04/36/20/564043620.db2.gz LKYDJHXRKAHDTH-UHFFFAOYSA-N 0 0 342.826 4.654 50 0 EJAARN Cc1ccc(-c2nc(CN(Cc3ccccn3)C(C)C)cs2)o1 ZINC000040152860 564045497 /nfs/dbraw/zinc/04/54/97/564045497.db2.gz CUYSQTKDDPCISN-UHFFFAOYSA-N 0 0 327.453 4.517 50 0 EJAARN Cn1cc([C@H](CC(=O)N2CCCC2)C2CCCCC2)c2ccccc21 ZINC000096277052 564049735 /nfs/dbraw/zinc/04/97/35/564049735.db2.gz ZZKPOWDPDRMOMJ-LJQANCHMSA-N 0 0 338.495 4.855 50 0 EJAARN C[C@@H]1CCCCN1C(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000059323057 564050702 /nfs/dbraw/zinc/05/07/02/564050702.db2.gz KATOPZWZQNWNNB-LLVKDONJSA-N 0 0 332.296 4.628 50 0 EJAARN O=C(Oc1ccc2cc(Br)ccc2c1)N1CCCCC1 ZINC000000859135 564051044 /nfs/dbraw/zinc/05/10/44/564051044.db2.gz RULXHBLRBKYNJB-UHFFFAOYSA-N 0 0 334.213 4.587 50 0 EJAARN Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc3ccccc3c2)n1 ZINC000025015077 564051047 /nfs/dbraw/zinc/05/10/47/564051047.db2.gz DJJDUIBIHYEMIE-UHFFFAOYSA-N 0 0 341.414 4.895 50 0 EJAARN C[C@H]1CCCN(c2nc3cc(Cl)ccc3c(-c3ccccc3)n2)C1 ZINC000240900717 564051832 /nfs/dbraw/zinc/05/18/32/564051832.db2.gz ITKZBOWZRKDSPD-AWEZNQCLSA-N 0 0 337.854 5.187 50 0 EJAARN O=C([C@@H]1CCCC(F)(F)C1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000241173072 564051883 /nfs/dbraw/zinc/05/18/83/564051883.db2.gz KFTXICLFHAGTRC-QAPCUYQASA-N 0 0 346.421 5.047 50 0 EJAARN CSc1c(F)cccc1C(=O)Nc1cnccc1-c1ccccc1 ZINC000241262005 564051934 /nfs/dbraw/zinc/05/19/34/564051934.db2.gz LAMRXIMWPSFART-UHFFFAOYSA-N 0 0 338.407 4.862 50 0 EJAARN C[C@@H](NC(=O)CSCc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000005788807 564052151 /nfs/dbraw/zinc/05/21/51/564052151.db2.gz QPEGPKPZGBBNGE-OQNUJHGRSA-N 0 0 343.536 4.641 50 0 EJAARN Cc1cc2c(s1)[C@@H]1CCCC[C@@H]1O[C@H]2c1ccc2c(c1)OCO2 ZINC000245377368 564052400 /nfs/dbraw/zinc/05/24/00/564052400.db2.gz KCUMDOBAIIFHQY-XUWXXGDYSA-N 0 0 328.433 4.931 50 0 EJAARN O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(F)cc1F ZINC000018835722 564052652 /nfs/dbraw/zinc/05/26/52/564052652.db2.gz KFIVFZAOGLMHIP-UHFFFAOYSA-N 0 0 349.340 4.760 50 0 EJAARN C[C@H]1CC[C@H](c2cccn2C)N(C(=S)Nc2ccccc2)CC1 ZINC000018943510 564052711 /nfs/dbraw/zinc/05/27/11/564052711.db2.gz DTCACUGAERELGV-MAUKXSAKSA-N 0 0 327.497 4.585 50 0 EJAARN Cc1ccccc1CCNC(=O)CSc1ccc2ccccc2c1 ZINC000019012142 564052836 /nfs/dbraw/zinc/05/28/36/564052836.db2.gz PFBWKCPVWYACNB-UHFFFAOYSA-N 0 0 335.472 4.599 50 0 EJAARN CC(C)(C)C(=O)C[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC000252484705 564053394 /nfs/dbraw/zinc/05/33/94/564053394.db2.gz GFCSUTJOAMZKFA-GOSISDBHSA-N 0 0 339.435 4.659 50 0 EJAARN CC(=O)c1c(C)n(-c2cccc(Br)c2)c2ccc(O)cc12 ZINC000000980151 564053851 /nfs/dbraw/zinc/05/38/51/564053851.db2.gz IEEBAAJFZRXVSG-UHFFFAOYSA-N 0 0 344.208 4.610 50 0 EJAARN COC(=O)CO[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)CCC[C@H]4[C@H]3CC[C@H]2C1 ZINC000257345823 564055872 /nfs/dbraw/zinc/05/58/72/564055872.db2.gz JVICPCDJSHXXNQ-KCVBTACZSA-N 0 0 348.527 4.977 50 0 EJAARN CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3C(=O)C[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257346263 564055896 /nfs/dbraw/zinc/05/58/96/564055896.db2.gz WKVMGWGAHCQQRX-WYUXNOMOSA-N 0 0 332.484 4.530 50 0 EJAARN CC(C)(C)OC(=O)n1c(Cl)cc2cc(Br)ccc21 ZINC000261493563 564056174 /nfs/dbraw/zinc/05/61/74/564056174.db2.gz DPHUJCJDCACOPE-UHFFFAOYSA-N 0 0 330.609 4.840 50 0 EJAARN Cc1ccc(-c2nc(SCc3ncc(-c4ccccc4)o3)n[nH]2)cc1 ZINC000005867904 564056720 /nfs/dbraw/zinc/05/67/20/564056720.db2.gz TUWFRNJKDRGMSD-UHFFFAOYSA-N 0 0 348.431 4.727 50 0 EJAARN Cc1ccsc1[C@H]1CC(=O)Nc2n[nH]c(-c3ccc(Cl)cc3)c21 ZINC000005885799 564056827 /nfs/dbraw/zinc/05/68/27/564056827.db2.gz FCWWWWJAGQEPFF-LBPRGKRZSA-N 0 0 343.839 4.574 50 0 EJAARN Cc1nnc(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)o1 ZINC000005901379 564056916 /nfs/dbraw/zinc/05/69/16/564056916.db2.gz VYGALGYGRMUWGN-UHFFFAOYSA-N 0 0 348.431 4.727 50 0 EJAARN CCOc1ccc(N[C@@H](C)C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000005934569 564057085 /nfs/dbraw/zinc/05/70/85/564057085.db2.gz JDZYKWGHERFORO-HNNXBMFYSA-N 0 0 334.419 4.678 50 0 EJAARN O=C(Cc1cccc2ccccc21)Nc1ccc(OC(F)(F)F)cc1 ZINC000005938090 564057191 /nfs/dbraw/zinc/05/71/91/564057191.db2.gz YWNTVAVBJKKZFT-UHFFFAOYSA-N 0 0 345.320 4.920 50 0 EJAARN c1coc(-c2nnc(CSc3nc(-c4ccccc4)cs3)o2)c1 ZINC000005971711 564057388 /nfs/dbraw/zinc/05/73/88/564057388.db2.gz ZLDUDHMPMAKUAY-UHFFFAOYSA-N 0 0 341.417 4.745 50 0 EJAARN O=C(Cc1cccc(O)c1)Nc1ccc(SC2CCCC2)cc1 ZINC000063538078 564057806 /nfs/dbraw/zinc/05/78/06/564057806.db2.gz ZFMHVAGSBHCJJR-UHFFFAOYSA-N 0 0 327.449 4.608 50 0 EJAARN CCCCC(=O)Nc1scc(-c2ccc(F)cc2)c1C(=O)OCC ZINC000001903772 564058072 /nfs/dbraw/zinc/05/80/72/564058072.db2.gz QWYCDYPSLBNWGZ-UHFFFAOYSA-N 0 0 349.427 4.860 50 0 EJAARN CCCOc1cccc(-c2cc(C(=O)NC(C)C)c3ccccc3n2)c1 ZINC000002103492 564058298 /nfs/dbraw/zinc/05/82/98/564058298.db2.gz FWIVBXHTSWUOPM-UHFFFAOYSA-N 0 0 348.446 4.829 50 0 EJAARN O=C(Nc1nc2ccccc2[nH]1)c1ccccc1Oc1ccccc1 ZINC000012533342 564058358 /nfs/dbraw/zinc/05/83/58/564058358.db2.gz JMDDHPYCKQTRGL-UHFFFAOYSA-N 0 0 329.359 4.608 50 0 EJAARN O=C(Nc1ccc(Br)cc1)c1cc(F)c(F)cc1Cl ZINC000003293178 564059109 /nfs/dbraw/zinc/05/91/09/564059109.db2.gz DMWPVHIEKNTMFX-UHFFFAOYSA-N 0 0 346.558 4.633 50 0 EJAARN CCOc1cccc(C=C(Cl)c2nc3c(C)cccc3c(=O)[nH]2)c1 ZINC000044026171 564059221 /nfs/dbraw/zinc/05/92/21/564059221.db2.gz ONTFRUDTRHPESY-WJDWOHSUSA-N 0 0 340.810 4.779 50 0 EJAARN Cc1[nH]c2ccccc2c1C(=O)CNc1ccc(Br)cc1 ZINC000012554266 564059268 /nfs/dbraw/zinc/05/92/68/564059268.db2.gz VTCDWECBZNVKDL-UHFFFAOYSA-N 0 0 343.224 4.534 50 0 EJAARN COC(=O)c1cc2c(nc(-c3ccccc3)cc2C(F)(F)F)s1 ZINC000012559903 564059456 /nfs/dbraw/zinc/05/94/56/564059456.db2.gz QPFGRYJLNPPPDG-UHFFFAOYSA-N 0 0 337.322 4.769 50 0 EJAARN CCOC(=O)c1cc2c(nc(-c3cccs3)cc2C(F)(F)F)o1 ZINC000012560519 564059604 /nfs/dbraw/zinc/05/96/04/564059604.db2.gz APRGLQGKRWHRRQ-UHFFFAOYSA-N 0 0 341.310 4.752 50 0 EJAARN Cc1ccc(Nc2cc(C(=O)N3CCCCC3)nc3ccccc32)cc1 ZINC000044169560 564059622 /nfs/dbraw/zinc/05/96/22/564059622.db2.gz UHSDPMUWJVXGMZ-UHFFFAOYSA-N 0 0 345.446 4.913 50 0 EJAARN Cc1sc2[nH]c([C@@H](C)Nc3cccc(C(C)C)c3)nc(=O)c2c1C ZINC000012562278 564059646 /nfs/dbraw/zinc/05/96/46/564059646.db2.gz PILWNJGOXLYWMA-GFCCVEGCSA-N 0 0 341.480 4.898 50 0 EJAARN CN(C)c1ccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)cc1 ZINC000012563894 564059650 /nfs/dbraw/zinc/05/96/50/564059650.db2.gz SIJNQONCVDDFTK-UHFFFAOYSA-N 0 0 346.430 4.507 50 0 EJAARN O=C1CCC[C@@H]1Sc1ncnc2sc(-c3ccccc3)cc21 ZINC000012567252 564059725 /nfs/dbraw/zinc/05/97/25/564059725.db2.gz AUHXPPGZDZVCFN-AWEZNQCLSA-N 0 0 326.446 4.572 50 0 EJAARN CC(C)C[C@H](N)c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 ZINC000001263610 564062804 /nfs/dbraw/zinc/06/28/04/564062804.db2.gz CEEIYBLGAPYOQV-LBPRGKRZSA-N 0 0 346.283 4.715 50 0 EJAARN O=C(COC(=O)c1c(Cl)cccc1Cl)c1c[nH]c2ccccc21 ZINC000003571381 564059983 /nfs/dbraw/zinc/05/99/83/564059983.db2.gz IIDOPJLLNFINQX-UHFFFAOYSA-N 0 0 348.185 4.514 50 0 EJAARN O=C(Nc1ccccc1Cl)N(Cc1ccsc1)CC(F)(F)F ZINC000044447771 564060136 /nfs/dbraw/zinc/06/01/36/564060136.db2.gz XPZHXECDAJWAFN-UHFFFAOYSA-N 0 0 348.777 4.998 50 0 EJAARN Cc1ccccc1NC(=O)N(Cc1ccsc1)CC(F)(F)F ZINC000044447756 564060138 /nfs/dbraw/zinc/06/01/38/564060138.db2.gz PHJYREBZBMYWHR-UHFFFAOYSA-N 0 0 328.359 4.653 50 0 EJAARN O=C(/C=C/c1ccco1)NCc1cccc(Oc2ccc(F)cc2)c1 ZINC000044451188 564060148 /nfs/dbraw/zinc/06/01/48/564060148.db2.gz GNHTVZNGKHVVJC-ZHACJKMWSA-N 0 0 337.350 4.541 50 0 EJAARN O=C(NC1CC1)c1ccc(NC2c3ccccc3-c3ccccc32)cc1 ZINC000012589661 564060183 /nfs/dbraw/zinc/06/01/83/564060183.db2.gz JKLZZNOFGHKRIB-UHFFFAOYSA-N 0 0 340.426 4.761 50 0 EJAARN Cc1cc(C)c(NC(=O)CCCc2nc(-c3ccccc3)no2)c(C)c1 ZINC000012599026 564060326 /nfs/dbraw/zinc/06/03/26/564060326.db2.gz FXQWPVIHSKCCEU-UHFFFAOYSA-N 0 0 349.434 4.623 50 0 EJAARN O=C(Nc1ccccc1N1CCCCC1)c1ccc2ncsc2c1 ZINC000015315865 564060659 /nfs/dbraw/zinc/06/06/59/564060659.db2.gz WMMMJUCNJURNFL-UHFFFAOYSA-N 0 0 337.448 4.539 50 0 EJAARN Cc1cc2cc(NC(=O)N(C)[C@H](C)Cc3cc(C)ccn3)ccc2o1 ZINC000299763941 564060765 /nfs/dbraw/zinc/06/07/65/564060765.db2.gz ZGMGKAHOBJDUIM-CQSZACIVSA-N 0 0 337.423 4.540 50 0 EJAARN COc1ccc(-c2nnc(S[C@H](C)c3ccccc3)o2)c(OC)c1 ZINC000012620976 564060921 /nfs/dbraw/zinc/06/09/21/564060921.db2.gz XLKNJJHJOSTFSO-GFCCVEGCSA-N 0 0 342.420 4.607 50 0 EJAARN C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 ZINC000004026126 564061164 /nfs/dbraw/zinc/06/11/64/564061164.db2.gz UWBICEKKOYXZRG-DHNHVGITSA-N 0 0 342.479 4.594 50 0 biogenic EJAARN Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)CC(C)C ZINC000004063091 564061755 /nfs/dbraw/zinc/06/17/55/564061755.db2.gz SCQDRFHFNZMFGB-UHFFFAOYSA-N 0 0 325.437 4.651 50 0 EJAARN O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1cccc(F)c1 ZINC000004072666 564061819 /nfs/dbraw/zinc/06/18/19/564061819.db2.gz PBKXJDWEUNAUGQ-UHFFFAOYSA-N 0 0 338.816 4.916 50 0 EJAARN O=C(Cc1ccc(Cl)cc1Cl)Nc1ccccc1N1CCCC1 ZINC000012641916 564062013 /nfs/dbraw/zinc/06/20/13/564062013.db2.gz LZXNBVKJZJOZBU-UHFFFAOYSA-N 0 0 349.261 4.775 50 0 EJAARN C[C@H](NC(=O)CSCc1cccs1)c1ccc(Cl)s1 ZINC000032037832 564062067 /nfs/dbraw/zinc/06/20/67/564062067.db2.gz YEXVXOMLABMUIA-VIFPVBQESA-N 0 0 331.915 4.574 50 0 EJAARN CC(C)(C)c1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1 ZINC000001268913 564062813 /nfs/dbraw/zinc/06/28/13/564062813.db2.gz HHUFTIHWRWHFED-UHFFFAOYSA-N 0 0 328.412 4.985 50 0 EJAARN CCc1ccc([C@H]2C[C@@H](C)CCN2c2ncnc3ccsc32)o1 ZINC000083825420 564063532 /nfs/dbraw/zinc/06/35/32/564063532.db2.gz TYFYBKFYAIPFQQ-SWLSCSKDSA-N 0 0 327.453 4.824 50 0 EJAARN CN(C)c1ccc(C(F)(F)F)cc1NCc1csc(C2CC2)n1 ZINC000083854368 564063824 /nfs/dbraw/zinc/06/38/24/564063824.db2.gz BJDSYEXDWRYVBI-UHFFFAOYSA-N 0 0 341.402 4.717 50 0 EJAARN FC(F)(F)c1cccc(-c2cc(-c3cn4ccccc4n3)on2)c1 ZINC000001382755 564064036 /nfs/dbraw/zinc/06/40/36/564064036.db2.gz SLTHAQPHBNAGBL-UHFFFAOYSA-N 0 0 329.281 4.675 50 0 EJAARN COC(=O)c1cc(-c2ccccc2Cl)n(-c2ccc(Cl)cc2)n1 ZINC000001389656 564064384 /nfs/dbraw/zinc/06/43/84/564064384.db2.gz DCPWPSHXSPAZRI-UHFFFAOYSA-N 0 0 347.201 4.633 50 0 EJAARN CC(=O)Nc1ccc(-c2nc(-c3ccc4c(c3)CCC4)cs2)cc1 ZINC000012735516 564064474 /nfs/dbraw/zinc/06/44/74/564064474.db2.gz QVVRKCSLLRWGDP-UHFFFAOYSA-N 0 0 334.444 4.924 50 0 EJAARN Cc1cccc(NC(=O)[C@H](C)n2c3ccccc3nc2C(F)(F)F)c1 ZINC000001394813 564064653 /nfs/dbraw/zinc/06/46/53/564064653.db2.gz WVTIOKNGZQGZEJ-LBPRGKRZSA-N 0 0 347.340 4.563 50 0 EJAARN Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)OC(=O)NC(C)C ZINC000001394802 564064655 /nfs/dbraw/zinc/06/46/55/564064655.db2.gz OXZWTAGUDWOEAL-NSHDSACASA-N 0 0 338.860 4.968 50 0 EJAARN CCCc1ccc(N[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)cc1 ZINC000012739792 564064960 /nfs/dbraw/zinc/06/49/60/564064960.db2.gz YXLYVOUETGZJMB-LBPRGKRZSA-N 0 0 341.480 4.727 50 0 EJAARN Cc1cc(C)c(S(=O)(=O)c2ccccc2C)c(SCC(C)C)n1 ZINC000001401754 564065029 /nfs/dbraw/zinc/06/50/29/564065029.db2.gz DXOPCXSPHMSDSY-UHFFFAOYSA-N 0 0 349.521 4.588 50 0 EJAARN Cc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)cc1 ZINC000001404159 564065145 /nfs/dbraw/zinc/06/51/45/564065145.db2.gz RCHJLURKESLXDG-UHFFFAOYSA-N 0 0 328.843 4.891 50 0 EJAARN Fc1ccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCO3)cc1 ZINC000001412094 564065752 /nfs/dbraw/zinc/06/57/52/564065752.db2.gz ZDSQPCJZERYQOV-UHFFFAOYSA-N 0 0 347.349 4.613 50 0 EJAARN CC[C@H](Sc1ccc2ccccc2n1)C(=O)Nc1ccccc1F ZINC000016647797 564066029 /nfs/dbraw/zinc/06/60/29/564066029.db2.gz ZSDCQCKZQFMUKU-KRWDZBQOSA-N 0 0 340.423 4.883 50 0 EJAARN Cc1cc(C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)c(C)n1C(C)C ZINC000084077474 564066217 /nfs/dbraw/zinc/06/62/17/564066217.db2.gz RIFCENCGOWAXPI-UHFFFAOYSA-N 0 0 342.527 4.974 50 0 EJAARN CC(=O)Nc1c(C)cc(NC(=O)N2CCCC[C@@H]2CC(C)C)cc1C ZINC000084086152 564066281 /nfs/dbraw/zinc/06/62/81/564066281.db2.gz SAGSTMKDSKRIKV-GOSISDBHSA-N 0 0 345.487 4.694 50 0 EJAARN Cc1cccc(OCCS[C@@H](C)C(=O)Nc2cc(C)ccc2C)c1 ZINC000015492276 564066391 /nfs/dbraw/zinc/06/63/91/564066391.db2.gz IKGKOTWXNRQADS-KRWDZBQOSA-N 0 0 343.492 4.751 50 0 EJAARN CS[C@@H](C)C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000084098545 564066462 /nfs/dbraw/zinc/06/64/62/564066462.db2.gz TVKBMZNXQWNUGM-ZDUSSCGKSA-N 0 0 338.432 4.699 50 0 EJAARN Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccco2)ccc1Oc1cccnc1 ZINC000084093761 564066467 /nfs/dbraw/zinc/06/64/67/564066467.db2.gz ANDYBGMUYRVSHD-IAGOWNOFSA-N 0 0 334.375 4.518 50 0 EJAARN C[C@H](c1ccccn1)N(C(=O)Cc1ccc2ccccc2c1)C1CC1 ZINC000059325394 564066666 /nfs/dbraw/zinc/06/66/66/564066666.db2.gz JDYSJMJXQIBIKH-MRXNPFEDSA-N 0 0 330.431 4.530 50 0 EJAARN Cc1ccc([C@@H]2CSCCN2C(=O)Nc2cccc(C)c2)cc1 ZINC000084148758 564067027 /nfs/dbraw/zinc/06/70/27/564067027.db2.gz DGODQHPMJDZAFH-SFHVURJKSA-N 0 0 326.465 4.625 50 0 EJAARN Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccc(F)cc1C ZINC000012754086 564067175 /nfs/dbraw/zinc/06/71/75/564067175.db2.gz AXMVUMSFCOVUEQ-UHFFFAOYSA-N 0 0 332.425 4.880 50 0 EJAARN Cc1nc(-c2ccsc2)sc1C(=O)N[C@H](C)c1ccccc1C ZINC000015518635 564067505 /nfs/dbraw/zinc/06/75/05/564067505.db2.gz NEUCAUOCOVTBIM-GFCCVEGCSA-N 0 0 342.489 4.979 50 0 EJAARN Cc1nc(-c2ccsc2)sc1C(=O)N[C@@H](C)c1ccccc1C ZINC000015518637 564067517 /nfs/dbraw/zinc/06/75/17/564067517.db2.gz NEUCAUOCOVTBIM-LBPRGKRZSA-N 0 0 342.489 4.979 50 0 EJAARN CCN(Cc1ccccn1)C(=O)Nc1cccc([C@H](C)SC)c1 ZINC000084322640 564067777 /nfs/dbraw/zinc/06/77/77/564067777.db2.gz GNUGGQOCFSRAEB-AWEZNQCLSA-N 0 0 329.469 4.560 50 0 EJAARN CC(C)COc1cccc(OCC(=O)Nc2ccc3ccccc3c2)c1 ZINC000084544466 564068627 /nfs/dbraw/zinc/06/86/27/564068627.db2.gz SREXNEDUHWDVSX-UHFFFAOYSA-N 0 0 349.430 4.892 50 0 EJAARN C[C@H](NC(=O)c1csc(-c2cccs2)n1)c1ccc(F)cc1 ZINC000012770473 564068863 /nfs/dbraw/zinc/06/88/63/564068863.db2.gz UKLMRQMAPFBHMS-JTQLQIEISA-N 0 0 332.425 4.502 50 0 EJAARN CC(C)(C(=O)NCCSc1ccc(Cl)cc1)c1ccccc1 ZINC000012771294 564068935 /nfs/dbraw/zinc/06/89/35/564068935.db2.gz BPAOLMBYXHGWKN-UHFFFAOYSA-N 0 0 333.884 4.526 50 0 EJAARN Cc1ccc(C(=O)CCC(=O)Nc2nc3ccc(C)cc3s2)s1 ZINC000012773221 564069090 /nfs/dbraw/zinc/06/90/90/564069090.db2.gz MBWOHGVXTHJDMF-UHFFFAOYSA-N 0 0 344.461 4.576 50 0 EJAARN C[C@@H](NC(=S)N[C@@H]1CCc2c1cccc2Cl)c1ccccc1 ZINC000084656655 564069442 /nfs/dbraw/zinc/06/94/42/564069442.db2.gz MAXCKAIDTGZYAL-SJKOYZFVSA-N 0 0 330.884 4.553 50 0 EJAARN Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(F)c1 ZINC000012784811 564070216 /nfs/dbraw/zinc/07/02/16/564070216.db2.gz FNFALEFHGZJFCO-JTQLQIEISA-N 0 0 342.197 4.847 50 0 EJAARN C[C@H](NC(=O)c1cc(Br)ccc1Cl)c1cccs1 ZINC000012784913 564070233 /nfs/dbraw/zinc/07/02/33/564070233.db2.gz PKAQBHGRYNCJIG-QMMMGPOBSA-N 0 0 344.661 4.655 50 0 EJAARN CC(C)c1ccc(-c2nnc(NC(=O)Cc3ccsc3)s2)cc1 ZINC000012784256 564070238 /nfs/dbraw/zinc/07/02/38/564070238.db2.gz JJIZWWSBVRLGHJ-UHFFFAOYSA-N 0 0 343.477 4.571 50 0 EJAARN Cc1ccccc1-c1noc(-c2cccc(NC(=O)c3ccco3)c2)n1 ZINC000015671101 564070450 /nfs/dbraw/zinc/07/04/50/564070450.db2.gz WJVFWZCXMVYXNZ-UHFFFAOYSA-N 0 0 345.358 4.557 50 0 EJAARN CCc1ccccc1NC(=O)c1noc2c1CSc1ccccc1-2 ZINC000015673993 564070528 /nfs/dbraw/zinc/07/05/28/564070528.db2.gz ICQKINPDYMKSAH-UHFFFAOYSA-N 0 0 336.416 4.762 50 0 EJAARN COc1ccc(Cl)cc1-c1nnc(Nc2ccc(C)cc2)s1 ZINC000001439836 564070635 /nfs/dbraw/zinc/07/06/35/564070635.db2.gz AHTGTLSBIXKZDL-UHFFFAOYSA-N 0 0 331.828 4.919 50 0 EJAARN O=C(Cn1c(-c2cccs2)cc2ccccc21)NCc1ccccc1 ZINC000015679517 564070715 /nfs/dbraw/zinc/07/07/15/564070715.db2.gz GVRQPZHEXGIECW-UHFFFAOYSA-N 0 0 346.455 4.686 50 0 EJAARN CCSc1ccccc1C(=O)Nc1nc(-c2ccccn2)cs1 ZINC000004304956 564072276 /nfs/dbraw/zinc/07/22/76/564072276.db2.gz ALSGWCSHCXNNFG-UHFFFAOYSA-N 0 0 341.461 4.569 50 0 EJAARN O=C(NCCCCOc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000012803464 564072500 /nfs/dbraw/zinc/07/25/00/564072500.db2.gz ULDZUYHZHDVLEY-UHFFFAOYSA-N 0 0 338.234 4.582 50 0 EJAARN O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(C(F)(F)F)c1 ZINC000006048499 564072779 /nfs/dbraw/zinc/07/27/79/564072779.db2.gz JPIOPBKEVLUKST-UHFFFAOYSA-N 0 0 337.385 4.652 50 0 EJAARN CC1=Nc2c(c(=O)[nH]n2C2CCCCC2)[C@H](c2ccc(F)cc2)S1 ZINC000085411909 564072870 /nfs/dbraw/zinc/07/28/70/564072870.db2.gz QSJDIASRIAVKNQ-INIZCTEOSA-N 0 0 345.443 4.707 50 0 EJAARN CC(C)(C)C(=O)Nc1nc(CC23CC4CC(CC(C4)C2)C3)cs1 ZINC000006052810 564073096 /nfs/dbraw/zinc/07/30/96/564073096.db2.gz SVVFQDWRSGBZSS-UHFFFAOYSA-N 0 0 332.513 4.887 50 0 EJAARN COc1ccccc1Oc1nc2c(Cl)c(C)nn2c2ccccc21 ZINC000012814583 564073130 /nfs/dbraw/zinc/07/31/30/564073130.db2.gz LWFXHKKTFVMQCL-UHFFFAOYSA-N 0 0 339.782 4.645 50 0 EJAARN Cc1nc(-c2ccc(C)cc2C)sc1C(=O)NC(C1CC1)C1CC1 ZINC000063575035 564073219 /nfs/dbraw/zinc/07/32/19/564073219.db2.gz SOKHGXKPJKSMHW-UHFFFAOYSA-N 0 0 340.492 4.654 50 0 EJAARN O=C(Nc1cccs1)N1CCC(CSCc2ccco2)CC1 ZINC000085472483 564073495 /nfs/dbraw/zinc/07/34/95/564073495.db2.gz ZTMUEQRUDJJZOV-UHFFFAOYSA-N 0 0 336.482 4.518 50 0 EJAARN Cc1cc(F)ccc1NC(=O)C[C@H](c1cccs1)n1cccc1 ZINC000015771022 564073706 /nfs/dbraw/zinc/07/37/06/564073706.db2.gz ZTQXMWIATIYPOA-MRXNPFEDSA-N 0 0 328.412 4.615 50 0 EJAARN Cc1oc(-c2ccccc2)nc1CNC(=O)Nc1ccc(Cl)cc1 ZINC000015774560 564073784 /nfs/dbraw/zinc/07/37/84/564073784.db2.gz BWQBELYYEKWXLF-UHFFFAOYSA-N 0 0 341.798 4.625 50 0 EJAARN Clc1ccc([C@H]2CCCN2c2nnc(-c3ccccn3)s2)cc1 ZINC000185486967 564074121 /nfs/dbraw/zinc/07/41/21/564074121.db2.gz JQUKSAXGOMEEME-OAHLLOKOSA-N 0 0 342.855 4.595 50 0 EJAARN CCCN(CCC)c1nc(-c2ccc(OC)cc2)nc2ccccc21 ZINC000015781577 564074154 /nfs/dbraw/zinc/07/41/54/564074154.db2.gz SHDVSBLIZJLVHB-UHFFFAOYSA-N 0 0 335.451 4.932 50 0 EJAARN CCOC(=O)c1nc2ccccc2c(Nc2cc(Cl)ccc2C)n1 ZINC000015784084 564074186 /nfs/dbraw/zinc/07/41/86/564074186.db2.gz GCZFXOBNOCNRQS-UHFFFAOYSA-N 0 0 341.798 4.512 50 0 EJAARN O=C(Nc1nc(-c2ccc(F)cc2Cl)cs1)c1ccccc1 ZINC000012822080 564074622 /nfs/dbraw/zinc/07/46/22/564074622.db2.gz GTIWIDFCRZDJDX-UHFFFAOYSA-N 0 0 332.787 4.855 50 0 EJAARN Cc1ccc(NC(=O)Nc2ncc(-c3ccccc3)n2C)cc1Cl ZINC000015786031 564074774 /nfs/dbraw/zinc/07/47/74/564074774.db2.gz PTNXKEWBDOCZRF-UHFFFAOYSA-N 0 0 340.814 4.693 50 0 EJAARN CCO[C@H](C)c1nc(CNc2c(F)cccc2N2CCCC2)cs1 ZINC000086207639 564075348 /nfs/dbraw/zinc/07/53/48/564075348.db2.gz AIJHMWNKSXNIMY-CYBMUJFWSA-N 0 0 349.475 4.592 50 0 EJAARN Cc1nn(CC(C)C)c2sc(C(=O)N[C@@H](C)c3ccccc3)cc12 ZINC000012855827 564075476 /nfs/dbraw/zinc/07/54/76/564075476.db2.gz CLKONFUCIDENBD-ZDUSSCGKSA-N 0 0 341.480 4.553 50 0 EJAARN Cc1cc(CNC(=O)N([C@H](C)c2ccc3ccccc3c2)C2CC2)no1 ZINC000086371626 564075561 /nfs/dbraw/zinc/07/55/61/564075561.db2.gz QISKSDQUGQKHBK-OAHLLOKOSA-N 0 0 349.434 4.571 50 0 EJAARN CCOC(=O)c1ccc2nc(-c3ccc(F)cc3)cc(OCC)c2c1 ZINC000015828886 564075728 /nfs/dbraw/zinc/07/57/28/564075728.db2.gz PAPKGGNHSSEUGW-UHFFFAOYSA-N 0 0 339.366 4.616 50 0 EJAARN Cc1ccc2c(c1)S[C@H](C(=O)Nc1cccc(Cl)c1Cl)C2 ZINC000012862860 564075790 /nfs/dbraw/zinc/07/57/90/564075790.db2.gz IVLRLKMUTQMGSO-AWEZNQCLSA-N 0 0 338.259 4.957 50 0 EJAARN O=C(Nc1ccc(Cl)cc1)c1cccnc1SCC(F)(F)F ZINC000012863699 564075797 /nfs/dbraw/zinc/07/57/97/564075797.db2.gz FUKIZOXMMDXPFL-UHFFFAOYSA-N 0 0 346.761 4.642 50 0 EJAARN Cc1nn(C)c(NC(=O)Nc2ccc(C)c(C)c2)c1C1=CCCCC1 ZINC000015830744 564075816 /nfs/dbraw/zinc/07/58/16/564075816.db2.gz QRYUQKXJLKYCON-UHFFFAOYSA-N 0 0 338.455 4.947 50 0 EJAARN O=C1c2ccccc2C(=Cc2ccc3c(c2)OCO3)c2ccccc21 ZINC000000395034 564075879 /nfs/dbraw/zinc/07/58/79/564075879.db2.gz TVIVEAMYQHTBIO-UHFFFAOYSA-N 0 0 326.351 4.549 50 0 EJAARN COc1ccc(NC(=O)Oc2ccc(F)cc2Cl)c(Cl)c1 ZINC000000400352 564075969 /nfs/dbraw/zinc/07/59/69/564075969.db2.gz BWMKRNFXYZTCKZ-UHFFFAOYSA-N 0 0 330.142 4.752 50 0 EJAARN C[C@@](O)(c1ccccc1)c1cc2ccc1CCc1ccc(cc1)CC2 ZINC000003124725 564076094 /nfs/dbraw/zinc/07/60/94/564076094.db2.gz QGFOPLXFCMRMBI-XMMPIXPASA-N 0 0 328.455 4.826 50 0 EJAARN CCn1c2ccccc2nc1SCCOc1ccc(C)cc1C ZINC000015833416 564076097 /nfs/dbraw/zinc/07/60/97/564076097.db2.gz IGHTWCXDLLDQIQ-UHFFFAOYSA-N 0 0 326.465 4.844 50 0 EJAARN Nc1cc(-c2sc3ccccc3c2Cl)nn1-c1ccccc1 ZINC000043573945 564076187 /nfs/dbraw/zinc/07/61/87/564076187.db2.gz MCLQRRLJQDRQFL-UHFFFAOYSA-N 0 0 325.824 4.990 50 0 EJAARN CC(=O)OCC[C@H](C)CC/C=C(\C)COCOCC[Si](C)(C)C ZINC000169832392 564076403 /nfs/dbraw/zinc/07/64/03/564076403.db2.gz GYTRRLQPUIVHHN-BRMCRPDNSA-N 0 0 344.568 4.631 50 0 EJAARN O=C(Nc1ccc(-c2nccs2)cc1)c1cc(Cl)ccc1F ZINC000012871781 564076540 /nfs/dbraw/zinc/07/65/40/564076540.db2.gz SHLBQFCNFOTVJY-UHFFFAOYSA-N 0 0 332.787 4.855 50 0 EJAARN Cc1nc2cc(NC(=O)c3csc(-c4ccsc4)n3)ccc2o1 ZINC000012873552 564076595 /nfs/dbraw/zinc/07/65/95/564076595.db2.gz RCWIBRMENKLSOL-UHFFFAOYSA-N 0 0 341.417 4.574 50 0 EJAARN O=C(CCCCC(=O)OCC1CCCCC1)OCC1CCCCC1 ZINC000006130061 564076684 /nfs/dbraw/zinc/07/66/84/564076684.db2.gz KTRQTHPGQDBQNH-UHFFFAOYSA-N 0 0 338.488 4.794 50 0 EJAARN C[C@H](NC(=S)N[C@H]1CCc2c1cccc2Cl)c1ccccc1 ZINC000063790829 564077026 /nfs/dbraw/zinc/07/70/26/564077026.db2.gz MAXCKAIDTGZYAL-SJCJKPOMSA-N 0 0 330.884 4.553 50 0 EJAARN O=C(Nc1ccc2[nH]c(CCc3ccccc3)nc2c1)c1ccccc1 ZINC000015863894 564077135 /nfs/dbraw/zinc/07/71/35/564077135.db2.gz RJWWTAYKONFGCI-UHFFFAOYSA-N 0 0 341.414 4.600 50 0 EJAARN CC[C@H]1CN(CC(=O)Nc2ccc(C)c(C)c2)c2ccccc2S1 ZINC000015865195 564077167 /nfs/dbraw/zinc/07/71/67/564077167.db2.gz XWGDIZRMEYGZOL-KRWDZBQOSA-N 0 0 340.492 4.633 50 0 EJAARN Cc1ccc(SC[C@H]2CSc3nnc(-c4ccccc4)n32)cc1 ZINC000012898253 564077644 /nfs/dbraw/zinc/07/76/44/564077644.db2.gz NHFBFWKDOZFLSY-HNNXBMFYSA-N 0 0 339.489 4.693 50 0 EJAARN CCOc1ccccc1NC(=O)c1cc(C2CC2)nc2ccccc21 ZINC000012899897 564077691 /nfs/dbraw/zinc/07/76/91/564077691.db2.gz QQKFCQZABUSBGW-UHFFFAOYSA-N 0 0 332.403 4.763 50 0 EJAARN CC[C@@H](C)NC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 ZINC000012901620 564077743 /nfs/dbraw/zinc/07/77/43/564077743.db2.gz YASPFRYMLKAELU-CYBMUJFWSA-N 0 0 338.382 4.676 50 0 EJAARN O=C(CCSCc1nc2ccccc2s1)Nc1ccccc1F ZINC000012919433 564078226 /nfs/dbraw/zinc/07/82/26/564078226.db2.gz SXSQKPAZSBLJEL-UHFFFAOYSA-N 0 0 346.452 4.697 50 0 EJAARN CN(Cc1ccc(F)cc1)C(=O)c1sccc1-c1ccccc1 ZINC000015933806 564078382 /nfs/dbraw/zinc/07/83/82/564078382.db2.gz VVSLBKHDQSXDPA-UHFFFAOYSA-N 0 0 325.408 4.826 50 0 EJAARN CC(C)c1noc([C@@H](C)Sc2nc(C3CC3)nc3ccccc32)n1 ZINC000012922487 564078405 /nfs/dbraw/zinc/07/84/05/564078405.db2.gz AHYXPAVAJHWUFN-LLVKDONJSA-N 0 0 340.452 4.867 50 0 EJAARN CSc1ccc(Cl)c(C(=O)Nc2cccc3cccnc32)c1 ZINC000012926961 564078526 /nfs/dbraw/zinc/07/85/26/564078526.db2.gz ARTQCZOUVDDJQI-UHFFFAOYSA-N 0 0 328.824 4.862 50 0 EJAARN COc1ccccc1CN(C)C(=O)c1sccc1-c1ccccc1 ZINC000015941014 564078583 /nfs/dbraw/zinc/07/85/83/564078583.db2.gz RRTJDODALCKTRF-UHFFFAOYSA-N 0 0 337.444 4.696 50 0 EJAARN Cc1ccc2c(c1)S[C@@H](C(=O)Nc1c(C)cc(C)cc1Cl)C2 ZINC000012930596 564078739 /nfs/dbraw/zinc/07/87/39/564078739.db2.gz RRRSBFZIQZXQPZ-MRXNPFEDSA-N 0 0 331.868 4.921 50 0 EJAARN O=C(N[C@@H](c1nccs1)C1CC1)N1CCCCC[C@H]1c1ccco1 ZINC000074708536 564079037 /nfs/dbraw/zinc/07/90/37/564079037.db2.gz QKUSZDOTIAEREZ-GOEBONIOSA-N 0 0 345.468 4.514 50 0 EJAARN CCN(CC)C(=O)n1nc(Nc2ccccc2)cc1Nc1ccccc1 ZINC000575442840 564079427 /nfs/dbraw/zinc/07/94/27/564079427.db2.gz GDSGDSGYAQTHEL-UHFFFAOYSA-N 0 0 349.438 4.680 50 0 EJAARN C[C@H](N(C)C(=O)/C=C/c1csc(-c2ccc(F)cc2)n1)C1(C)CC1 ZINC000075108215 564080219 /nfs/dbraw/zinc/08/02/19/564080219.db2.gz NLGKYOCJXLETAL-XEHSLEBBSA-N 0 0 344.455 4.609 50 0 EJAARN O=C(c1cccc(C(F)(F)F)c1)N1CCC(c2cccs2)CC1 ZINC000075157047 564080897 /nfs/dbraw/zinc/08/08/97/564080897.db2.gz MOIWHSBAKIGZTP-UHFFFAOYSA-N 0 0 339.382 4.787 50 0 EJAARN Cc1cc2c(cc1-c1ccnc(N3CCCC3)n1)[C@@H](C)CC(C)(C)N2 ZINC000575473269 564081005 /nfs/dbraw/zinc/08/10/05/564081005.db2.gz PYXWAIJFDPBLAM-HNNXBMFYSA-N 0 0 336.483 4.750 50 0 EJAARN Cc1ccn2c(c1)nc(-c1ccccc1)c2C(=O)Nc1ccccc1 ZINC000075260123 564081258 /nfs/dbraw/zinc/08/12/58/564081258.db2.gz GGNNBVCOMHPMND-UHFFFAOYSA-N 0 0 327.387 4.562 50 0 EJAARN CC[C@@H](C)NC(=O)Nc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000075343520 564081958 /nfs/dbraw/zinc/08/19/58/564081958.db2.gz QNPRNOLRWGUHSK-GFCCVEGCSA-N 0 0 325.387 4.894 50 0 EJAARN Fc1cc(Cl)ccc1Oc1ccc(I)cc1 ZINC000146505272 564081973 /nfs/dbraw/zinc/08/19/73/564081973.db2.gz IEXUGSMKQYAAQK-UHFFFAOYSA-N 0 0 348.542 4.876 50 0 EJAARN CC[C@@H](C(=O)NCc1ccc(-c2ccsc2)o1)c1ccccc1 ZINC000575611035 564082621 /nfs/dbraw/zinc/08/26/21/564082621.db2.gz SYRYIJWDAJIKHJ-QGZVFWFLSA-N 0 0 325.433 4.818 50 0 EJAARN CCc1cccc(C)c1NC(=O)COc1cccc(C(F)(F)F)c1 ZINC000006231866 564083113 /nfs/dbraw/zinc/08/31/13/564083113.db2.gz GXYIAGWLOHSVNX-UHFFFAOYSA-N 0 0 337.341 4.594 50 0 EJAARN CCCC(=O)c1cn(CCOc2ccccc2OC)c2ccccc12 ZINC000006245883 564083226 /nfs/dbraw/zinc/08/32/26/564083226.db2.gz ZPPCOPHUVKNEPX-UHFFFAOYSA-N 0 0 337.419 4.712 50 0 EJAARN CCCC[C@@H](CC)C(=O)N1CCn2cccc2[C@H]1c1cccc(F)c1 ZINC000006273851 564083450 /nfs/dbraw/zinc/08/34/50/564083450.db2.gz XBIHDKSBGHVCSK-OXQOHEQNSA-N 0 0 342.458 4.775 50 0 EJAARN O=C(Nc1cccs1)Nc1ccccc1-c1cn2c(n1)CCCC2 ZINC000575618504 564083655 /nfs/dbraw/zinc/08/36/55/564083655.db2.gz BUEZSBYTMOZYHN-UHFFFAOYSA-N 0 0 338.436 4.592 50 0 EJAARN Cc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2cccc(F)c2)cc1 ZINC000006300379 564083703 /nfs/dbraw/zinc/08/37/03/564083703.db2.gz ASRHALXXBBVYDU-FQEVSTJZSA-N 0 0 349.409 4.573 50 0 EJAARN CSc1ccccc1C(=O)N[C@H](C)Cc1csc2ccccc12 ZINC000575619299 564083766 /nfs/dbraw/zinc/08/37/66/564083766.db2.gz CYZHAXXYTGXFFT-CYBMUJFWSA-N 0 0 341.501 4.984 50 0 EJAARN C[C@H](Cc1csc2ccccc12)NC(=O)/C=C/c1ccsc1 ZINC000575621687 564083935 /nfs/dbraw/zinc/08/39/35/564083935.db2.gz RATNPUGDKRBCQM-KTRBRXNASA-N 0 0 327.474 4.723 50 0 EJAARN C[C@@H](Cc1csc2ccccc12)NC(=O)Cc1ccccc1Cl ZINC000575621738 564083942 /nfs/dbraw/zinc/08/39/42/564083942.db2.gz SFCIGJIYSIYXJX-ZDUSSCGKSA-N 0 0 343.879 4.845 50 0 EJAARN CCCCC1=N[C@H]2Sc3c(ncnc3OC(C)C)[C@@H]2C2=C1CCC2 ZINC000006309828 564084013 /nfs/dbraw/zinc/08/40/13/564084013.db2.gz WQNWRPQOFRRICC-KXBFYZLASA-N 0 0 343.496 4.905 50 0 EJAARN COc1ccc(NC(=O)c2cc3c(s2)CCCCCC3)c(OC)c1 ZINC000012977587 564084927 /nfs/dbraw/zinc/08/49/27/564084927.db2.gz WMKXIJKUIMETOF-UHFFFAOYSA-N 0 0 345.464 4.677 50 0 EJAARN Cc1nc(-c2ccc(CNC(=O)c3cccc(Cl)c3)cc2)cs1 ZINC000012979249 564084949 /nfs/dbraw/zinc/08/49/49/564084949.db2.gz YWZDECHPOOVZPE-UHFFFAOYSA-N 0 0 342.851 4.702 50 0 EJAARN COc1ccccc1NC(=O)N(Cc1ccoc1)Cc1cccs1 ZINC000090612230 564085000 /nfs/dbraw/zinc/08/50/00/564085000.db2.gz QOULGKIPSGCARS-UHFFFAOYSA-N 0 0 342.420 4.584 50 0 EJAARN Cc1ccc(-c2csc(NC(=O)[C@H](C)Oc3ccccc3)n2)cc1 ZINC000006341857 564085130 /nfs/dbraw/zinc/08/51/30/564085130.db2.gz OWRWYFDHVXFHBU-AWEZNQCLSA-N 0 0 338.432 4.525 50 0 EJAARN CC(C)CN(C(=O)c1ccc(F)cc1)c1nc2ccccc2s1 ZINC000006342946 564085135 /nfs/dbraw/zinc/08/51/35/564085135.db2.gz JIHYPBNXDDPRIC-UHFFFAOYSA-N 0 0 328.412 4.738 50 0 EJAARN Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccccc1OC(F)F ZINC000006329551 564085149 /nfs/dbraw/zinc/08/51/49/564085149.db2.gz TYJIWWJUJDNSDR-UHFFFAOYSA-N 0 0 349.377 4.737 50 0 EJAARN CC[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2OC)N3)C1 ZINC000006358818 564085296 /nfs/dbraw/zinc/08/52/96/564085296.db2.gz BKKJRRONZHPQLX-APPDUMDISA-N 0 0 342.464 4.701 50 0 EJAARN CC[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2OC)N3)C1 ZINC000006358811 564085299 /nfs/dbraw/zinc/08/52/99/564085299.db2.gz BKKJRRONZHPQLX-GTNSWQLSSA-N 0 0 342.464 4.701 50 0 EJAARN Cn1ccnc1S[C@@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1 ZINC000006369309 564085418 /nfs/dbraw/zinc/08/54/18/564085418.db2.gz NPJFZEDBYHTIHG-LJQANCHMSA-N 0 0 347.443 4.618 50 0 EJAARN CC[C@H](C)c1ccc(N2C(=S)N=NC2CCc2ccccc2)cc1 ZINC000006394376 564085515 /nfs/dbraw/zinc/08/55/15/564085515.db2.gz LIUGBMCLESQDEB-HNNXBMFYSA-N 0 0 337.492 4.855 50 0 EJAARN CCCn1c(C)nnc1SCc1csc(-c2ccccc2C)n1 ZINC000006400388 564085551 /nfs/dbraw/zinc/08/55/51/564085551.db2.gz YGWXTURQVCWDMH-UHFFFAOYSA-N 0 0 344.509 4.721 50 0 EJAARN CSCc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)o1 ZINC000013016407 564086836 /nfs/dbraw/zinc/08/68/36/564086836.db2.gz ATEBFLCCOBNETE-UHFFFAOYSA-N 0 0 338.841 4.658 50 0 EJAARN Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)cc1 ZINC000013018913 564086874 /nfs/dbraw/zinc/08/68/74/564086874.db2.gz PASRMZPSOAHIPC-SJORKVTESA-N 0 0 333.431 4.793 50 0 EJAARN CN=c1sc(-c2ccc(F)cc2)c(C)n1Cc1cccc(Cl)c1 ZINC000252632787 564086979 /nfs/dbraw/zinc/08/69/79/564086979.db2.gz VWUQTIGQFVNECY-UHFFFAOYSA-N 0 0 346.858 4.896 50 0 EJAARN Cc1cccc(-c2nocc2CCC(=O)NCc2cc(C)ccc2C)c1 ZINC000075510383 564087343 /nfs/dbraw/zinc/08/73/43/564087343.db2.gz HQDFAQOBFIONTL-UHFFFAOYSA-N 0 0 348.446 4.516 50 0 EJAARN CCn1c(=O)c2c(C)c(C)sc2nc1SCc1ccc(F)cc1 ZINC000000523643 564087865 /nfs/dbraw/zinc/08/78/65/564087865.db2.gz SCSOJEYGRQCJES-UHFFFAOYSA-N 0 0 348.468 4.526 50 0 EJAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccs2)o1 ZINC000239653776 564088194 /nfs/dbraw/zinc/08/81/94/564088194.db2.gz BLHKCRGTBCQZJH-KXBFYZLASA-N 0 0 336.416 4.892 50 0 EJAARN COc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2C[C@H]2c2ccco2)cc1 ZINC000242047983 564088448 /nfs/dbraw/zinc/08/84/48/564088448.db2.gz VRTWGQRWALVIPP-QRVBRYPASA-N 0 0 339.435 4.536 50 0 EJAARN C[C@@H]1CCC[C@H](N2C(=O)c3ccccc3[C@H]2NCc2ccccc2)[C@H]1C ZINC000245253898 564088652 /nfs/dbraw/zinc/08/86/52/564088652.db2.gz QUHYUADJNNQICY-CTOYSFNJSA-N 0 0 348.490 4.756 50 0 EJAARN C[C@@H](NC(=O)Nc1cccc2cnccc21)c1cc2ccccc2o1 ZINC000053985558 564088740 /nfs/dbraw/zinc/08/87/40/564088740.db2.gz GQCYATWVUXLCII-CYBMUJFWSA-N 0 0 331.375 4.864 50 0 EJAARN CCCCc1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 ZINC000001904328 564089336 /nfs/dbraw/zinc/08/93/36/564089336.db2.gz HVEZPBWGPQTQNW-GXDHUFHOSA-N 0 0 339.435 4.698 50 0 EJAARN Cc1[nH]nc(NC(=O)Cc2cccc(C)c2)c1-c1cccc(Cl)c1 ZINC000075559062 564089515 /nfs/dbraw/zinc/08/95/15/564089515.db2.gz LTWCGFQADTXUIX-UHFFFAOYSA-N 0 0 339.826 4.528 50 0 EJAARN Cc1cccc(NC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1 ZINC000002652806 564089923 /nfs/dbraw/zinc/08/99/23/564089923.db2.gz YPSUQQNSISMCQG-UHFFFAOYSA-N 0 0 326.730 4.894 50 0 EJAARN CC(=O)c1cccc(NC(=O)C=Cc2ccc(Cl)c(Cl)c2)c1 ZINC000001937282 564090323 /nfs/dbraw/zinc/09/03/23/564090323.db2.gz NRZNKFIBRUNKOR-SOFGYWHQSA-N 0 0 334.202 4.848 50 0 EJAARN CCCN1CCn2c3ccc(Br)cc3c3c2[C@H]1CCC3 ZINC000000448437 564090540 /nfs/dbraw/zinc/09/05/40/564090540.db2.gz IRNXDKZUAGPSIT-MRXNPFEDSA-N 0 0 333.273 4.507 50 0 biogenic EJAARN CCn1c(=O)c2c(C)c(C)sc2nc1SCc1cccc(F)c1 ZINC000000528197 564090545 /nfs/dbraw/zinc/09/05/45/564090545.db2.gz CEXRKHUBUNNMLX-UHFFFAOYSA-N 0 0 348.468 4.526 50 0 EJAARN O=C(NCc1ccccc1F)c1cc(-c2ccco2)nc2ccccc21 ZINC000006508494 564091167 /nfs/dbraw/zinc/09/11/67/564091167.db2.gz XPKUXLUZPCZUNF-UHFFFAOYSA-N 0 0 346.361 4.564 50 0 EJAARN CCOc1ccccc1NC(=O)COc1cc(C)cc(C(C)C)c1 ZINC000006508757 564091239 /nfs/dbraw/zinc/09/12/39/564091239.db2.gz YEFIQVKPVJLMDQ-UHFFFAOYSA-N 0 0 327.424 4.535 50 0 EJAARN Fc1ccc(N2C(=S)N=NC2[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000006534071 564091636 /nfs/dbraw/zinc/09/16/36/564091636.db2.gz WSPYYBNELOKGKD-LSDHHAIUSA-N 0 0 345.830 4.620 50 0 EJAARN Fc1ccc(N2C(=S)N=NC2[C@H]2C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000006534070 564091643 /nfs/dbraw/zinc/09/16/43/564091643.db2.gz WSPYYBNELOKGKD-GJZGRUSLSA-N 0 0 345.830 4.620 50 0 EJAARN Cc1ccc([C@H]2C[C@@H]2C2N=NC(=S)N2c2cccc(Cl)c2)cc1 ZINC000006533843 564091664 /nfs/dbraw/zinc/09/16/64/564091664.db2.gz XOELQQAHXNBRBG-CVEARBPZSA-N 0 0 341.867 4.789 50 0 EJAARN COc1cccc(-n2c(=S)[n-]nc2[C@@H]2C[C@@H]2c2ccc(C)cc2)c1 ZINC000006533851 564091670 /nfs/dbraw/zinc/09/16/70/564091670.db2.gz RZLCWCPSHYSWNR-IAGOWNOFSA-N 0 0 337.448 4.518 50 0 EJAARN COc1ccccc1-n1cnnc1S[C@H](C)c1ccccc1Cl ZINC000006534843 564091696 /nfs/dbraw/zinc/09/16/96/564091696.db2.gz PBQLZNHHYJRVRD-GFCCVEGCSA-N 0 0 345.855 4.783 50 0 EJAARN COc1ccc(-n2c(=S)[n-]nc2[C@@H]2C[C@@H]2c2ccc(C)cc2)cc1 ZINC000006533849 564091699 /nfs/dbraw/zinc/09/16/99/564091699.db2.gz SQYRRWLGSBFELZ-IAGOWNOFSA-N 0 0 337.448 4.518 50 0 EJAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nc2cc(C)ccc2[nH]1 ZINC000006536949 564091740 /nfs/dbraw/zinc/09/17/40/564091740.db2.gz OLATYNREAIJLCC-UHFFFAOYSA-N 0 0 335.432 4.636 50 0 aggregator EJAARN O=C(N[C@@H]1CCSc2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC000006558991 564092113 /nfs/dbraw/zinc/09/21/13/564092113.db2.gz QOLXNKOVPILQIX-CQSZACIVSA-N 0 0 337.366 4.672 50 0 EJAARN Cc1nc(SCC(=O)c2c[nH]c3ccccc23)n(CC(C)C)c1C ZINC000006582156 564092301 /nfs/dbraw/zinc/09/23/01/564092301.db2.gz KTRHXFRKPQTJSA-UHFFFAOYSA-N 0 0 341.480 4.612 50 0 EJAARN Cc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccncc4)=NN32)cc1 ZINC000006590529 564092477 /nfs/dbraw/zinc/09/24/77/564092477.db2.gz QMCSZZALGFYYNJ-UNMCSNQZSA-N 0 0 341.414 4.632 50 0 EJAARN O=C(/C=C\c1ccccc1Cl)NCc1ccc(Cl)cc1Cl ZINC000215814910 564092980 /nfs/dbraw/zinc/09/29/80/564092980.db2.gz JQROHCNILSAVLF-VURMDHGXSA-N 0 0 340.637 4.976 50 0 EJAARN O=C(c1cccc(-c2ccc3cc[nH]c(=O)c3c2)c1)N1CCCCCC1 ZINC000426438549 564093755 /nfs/dbraw/zinc/09/37/55/564093755.db2.gz HEIGJBKWVVTHHJ-UHFFFAOYSA-N 0 0 346.430 4.624 50 0 EJAARN Cc1cc(SCC(=O)Nc2ccc(F)cc2F)nc2ccccc12 ZINC000006623616 564094545 /nfs/dbraw/zinc/09/45/45/564094545.db2.gz UNSDOPUWHAHHKB-UHFFFAOYSA-N 0 0 344.386 4.552 50 0 EJAARN COc1ccc(Cl)cc1NC(=S)N1CCCc2cc(C)ccc21 ZINC000006631123 564094614 /nfs/dbraw/zinc/09/46/14/564094614.db2.gz KJDYOKQKWONPMD-UHFFFAOYSA-N 0 0 346.883 4.807 50 0 EJAARN Cc1cc2oc(=O)cc(CN(C)Cc3ccccc3Cl)c2cc1C ZINC000006625476 564094672 /nfs/dbraw/zinc/09/46/72/564094672.db2.gz YHNGYYODWMJMTB-UHFFFAOYSA-N 0 0 341.838 4.695 50 0 EJAARN Cc1ccc(-c2noc3c2nc(C)nc3NCc2cccc(F)c2)cc1 ZINC000064658514 564094738 /nfs/dbraw/zinc/09/47/38/564094738.db2.gz HPPLVXYGPPNQOQ-UHFFFAOYSA-N 0 0 348.381 4.653 50 0 EJAARN CC1CCN(C(=O)Cn2c(-c3cccs3)cc3ccccc32)CC1 ZINC000064657460 564094778 /nfs/dbraw/zinc/09/47/78/564094778.db2.gz RKJJEPMEVMVFJH-UHFFFAOYSA-N 0 0 338.476 4.628 50 0 EJAARN CC[C@H]1Cn2c(C(=O)NC3CCCCCCC3)cc3cccc(c32)O1 ZINC000064657836 564094799 /nfs/dbraw/zinc/09/47/99/564094799.db2.gz KJXTYNQNQBCJRS-KRWDZBQOSA-N 0 0 340.467 4.655 50 0 EJAARN Cc1ccc(C)c(C(=O)Nc2ccc(Br)cc2Cl)c1 ZINC000006638577 564094815 /nfs/dbraw/zinc/09/48/15/564094815.db2.gz OEXQZHZXHJTWNY-UHFFFAOYSA-N 0 0 338.632 4.972 50 0 EJAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Oc3ccccc3C)cc12 ZINC000064666291 564094932 /nfs/dbraw/zinc/09/49/32/564094932.db2.gz UKLRVYXOIUYAFA-UHFFFAOYSA-N 0 0 348.427 4.923 50 0 EJAARN Cc1ccc(-c2csc3c2ncn(CCc2ccccc2)c3=O)cc1 ZINC000064667605 564094965 /nfs/dbraw/zinc/09/49/65/564094965.db2.gz VMVMSNOTMVFYCM-UHFFFAOYSA-N 0 0 346.455 4.676 50 0 EJAARN Fc1ccc(Oc2ccc(-c3noc(-c4ccncc4)n3)cc2)cc1 ZINC000064667928 564094995 /nfs/dbraw/zinc/09/49/95/564094995.db2.gz GZXSJPVDMDBYSE-UHFFFAOYSA-N 0 0 333.322 4.730 50 0 EJAARN Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccccn3)c2c1 ZINC000006646770 564095051 /nfs/dbraw/zinc/09/50/51/564095051.db2.gz HIRTUQTYSJCMMY-UHFFFAOYSA-N 0 0 339.398 4.858 50 0 EJAARN Cc1nc(C)c(-c2nc(-c3oc4ccc(C)cc4c3C)no2)s1 ZINC000064676719 564095221 /nfs/dbraw/zinc/09/52/21/564095221.db2.gz QJZVOADJCGOPOR-UHFFFAOYSA-N 0 0 325.393 4.840 50 0 EJAARN CCCOC(=O)c1nc2cc(C)c(C)cc2nc1Nc1cccc(C)c1 ZINC000064690479 564095446 /nfs/dbraw/zinc/09/54/46/564095446.db2.gz NXDLMOLMRSHGKD-UHFFFAOYSA-N 0 0 349.434 4.865 50 0 EJAARN COc1ccccc1/C=C\C(=O)NC(c1ccccc1)c1ccccc1 ZINC000006674530 564095798 /nfs/dbraw/zinc/09/57/98/564095798.db2.gz WYOHGSHGEKYMTE-MSUUIHNZSA-N 0 0 343.426 4.614 50 0 EJAARN COc1c2cc(F)ccc2sc1C(=O)NCc1ccccc1Cl ZINC000064756410 564095921 /nfs/dbraw/zinc/09/59/21/564095921.db2.gz IVUNDSFOMXENTC-UHFFFAOYSA-N 0 0 349.814 4.632 50 0 EJAARN COc1c2cc(Cl)ccc2sc1C(=O)NCc1ccc(C)cc1 ZINC000064756547 564095942 /nfs/dbraw/zinc/09/59/42/564095942.db2.gz HIWRIKBHBDECDG-UHFFFAOYSA-N 0 0 345.851 4.802 50 0 EJAARN CN(C(=O)c1ccc2c(c1)nc1c(c2Cl)CCC1)c1ccccc1 ZINC000006738835 564096721 /nfs/dbraw/zinc/09/67/21/564096721.db2.gz LKAZFYDVKNTKMG-UHFFFAOYSA-N 0 0 336.822 4.654 50 0 EJAARN CCc1ccc(CN(Cc2ccco2)C(=O)c2ccc(OC)cc2)cc1 ZINC000006747415 564096914 /nfs/dbraw/zinc/09/69/14/564096914.db2.gz OCFWEOLIPFNBNF-UHFFFAOYSA-N 0 0 349.430 4.693 50 0 EJAARN Cc1cc(Nc2cc(Cl)ccc2C)n2nc(-c3ccccc3)nc2n1 ZINC000006748175 564096952 /nfs/dbraw/zinc/09/69/52/564096952.db2.gz UKSZDUHUPBSYKH-UHFFFAOYSA-N 0 0 349.825 4.805 50 0 EJAARN Cc1ccc2c(c1)Cc1c(=O)[nH]c(-c3cccc(OC(C)C)c3)nc1O2 ZINC000006748552 564097052 /nfs/dbraw/zinc/09/70/52/564097052.db2.gz UWLFURMUXCUVJU-UHFFFAOYSA-N 0 0 348.402 4.641 50 0 EJAARN COC(=O)c1cc2oc3ccccc3c2n1Cc1ccc(Cl)cc1 ZINC000006750313 564097093 /nfs/dbraw/zinc/09/70/93/564097093.db2.gz POUZJCYXBNPPRS-UHFFFAOYSA-N 0 0 339.778 4.876 50 0 EJAARN CCn1cc(CCC(=O)NCc2ccccc2Cl)c2ccccc21 ZINC000006750761 564097144 /nfs/dbraw/zinc/09/71/44/564097144.db2.gz IEVUOLHJIRMPGP-UHFFFAOYSA-N 0 0 340.854 4.564 50 0 EJAARN COc1cccc(OCc2nc3ccccc3n2Cc2ccccc2)c1 ZINC000006753113 564097246 /nfs/dbraw/zinc/09/72/46/564097246.db2.gz LGDSFAZHFKCNBO-UHFFFAOYSA-N 0 0 344.414 4.672 50 0 EJAARN CCc1nn2c(nccc2-c2ccccc2OC)c1-c1ccc(F)cc1 ZINC000006760436 564097301 /nfs/dbraw/zinc/09/73/01/564097301.db2.gz VEWXETAVCSGKAK-UHFFFAOYSA-N 0 0 347.393 4.773 50 0 EJAARN Cc1cccc(-c2nc3nc(C)cc(Nc4ccc(C)c(C)c4)n3n2)c1 ZINC000006765851 564097361 /nfs/dbraw/zinc/09/73/61/564097361.db2.gz JKVSUYLQQOKNGI-UHFFFAOYSA-N 0 0 343.434 4.769 50 0 EJAARN Cc1cccc(-c2nc3nc(C)cc(Nc4ccc(C)cc4C)n3n2)c1 ZINC000006765825 564097376 /nfs/dbraw/zinc/09/73/76/564097376.db2.gz HJPPXJWYJXLTBG-UHFFFAOYSA-N 0 0 343.434 4.769 50 0 EJAARN Cc1cc(C)c(-c2csc(NC(=O)Cc3ccccc3)n2)c(C)c1 ZINC000006790631 564097949 /nfs/dbraw/zinc/09/79/49/564097949.db2.gz CUXYLEXKVRILJI-UHFFFAOYSA-N 0 0 336.460 4.917 50 0 EJAARN Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000154684374 564097951 /nfs/dbraw/zinc/09/79/51/564097951.db2.gz LSOIAJVYMRDMTJ-YVEFUNNKSA-N 0 0 345.874 4.537 50 0 EJAARN Nc1nc(-c2ccccc2)c2c(-c3ccc4ccccc4c3)ccnn12 ZINC000169681444 564098178 /nfs/dbraw/zinc/09/81/78/564098178.db2.gz XMGNGYDKFKCKCU-UHFFFAOYSA-N 0 0 336.398 4.799 50 0 EJAARN COc1ccc(NC(=O)Cc2coc3cc(C)cc(C)c23)cc1Cl ZINC000006809780 564098456 /nfs/dbraw/zinc/09/84/56/564098456.db2.gz HPXGQSOHSGJPEU-UHFFFAOYSA-N 0 0 343.810 4.893 50 0 EJAARN O=C(c1ccccc1)N(Cc1ccco1)Cc1ccccc1Cl ZINC000006810605 564098523 /nfs/dbraw/zinc/09/85/23/564098523.db2.gz UFZCABMGMQCGNY-UHFFFAOYSA-N 0 0 325.795 4.776 50 0 EJAARN CCCCCOC(=O)c1cn(-c2ccc(C)cc2)c(=O)c2ccccc12 ZINC000064977191 564098810 /nfs/dbraw/zinc/09/88/10/564098810.db2.gz LRIUBEJNOXFKCB-UHFFFAOYSA-N 0 0 349.430 4.646 50 0 EJAARN CN(C)c1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000006830409 564099030 /nfs/dbraw/zinc/09/90/30/564099030.db2.gz PQPAXYNHGAGXCV-UHFFFAOYSA-N 0 0 346.430 4.584 50 0 EJAARN Cc1ccc2c(c1)N(C(=O)Nc1cc(Cl)ccc1C)C[C@H](C)O2 ZINC000006842742 564099443 /nfs/dbraw/zinc/09/94/43/564099443.db2.gz LLVXWPOZJKBUNF-ZDUSSCGKSA-N 0 0 330.815 4.776 50 0 EJAARN Cc1cccc(NC(=O)N2C[C@H](C)Oc3ccc(Cl)cc32)c1C ZINC000006842847 564099444 /nfs/dbraw/zinc/09/94/44/564099444.db2.gz JHGPSODEHZOMMV-LBPRGKRZSA-N 0 0 330.815 4.776 50 0 EJAARN CCOc1ccccc1NC(=O)N1C[C@@H](C)Oc2ccc(Cl)cc21 ZINC000006842889 564099453 /nfs/dbraw/zinc/09/94/53/564099453.db2.gz CLXXXXFIJWCAIK-GFCCVEGCSA-N 0 0 346.814 4.558 50 0 EJAARN CC[C@H]1CN(C(=O)Nc2cccc(Cl)c2)c2cc(C)ccc2O1 ZINC000006843104 564099486 /nfs/dbraw/zinc/09/94/86/564099486.db2.gz WLORBAYBTYFRST-HNNXBMFYSA-N 0 0 330.815 4.858 50 0 EJAARN O=C(CSC[C@@H]1CC1(Cl)Cl)Nc1ccc2ccccc2c1 ZINC000006850494 564099597 /nfs/dbraw/zinc/09/95/97/564099597.db2.gz HBBOMHHSWCFYOF-ZDUSSCGKSA-N 0 0 340.275 4.705 50 0 EJAARN O=C(Nc1ccc(F)c(Cl)c1)c1ccc(-c2cccc(F)c2)nc1 ZINC000065030133 564099714 /nfs/dbraw/zinc/09/97/14/564099714.db2.gz HTLVNWMXSOZZOF-UHFFFAOYSA-N 0 0 344.748 4.933 50 0 EJAARN CC(C)CC[C@H](C)NC(=O)c1ccccc1OCc1ccc(F)cc1 ZINC000006869611 564100095 /nfs/dbraw/zinc/10/00/95/564100095.db2.gz YAHBOXYJTLIOOF-INIZCTEOSA-N 0 0 343.442 4.959 50 0 EJAARN Cc1c2cccc(C)c2oc1C(=O)N1CC=C(c2ccc(O)cc2)CC1 ZINC000065042990 564100156 /nfs/dbraw/zinc/10/01/56/564100156.db2.gz NTRZTTRCGGJEAW-UHFFFAOYSA-N 0 0 347.414 4.685 50 0 EJAARN CN(C)c1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000006871448 564100195 /nfs/dbraw/zinc/10/01/95/564100195.db2.gz LCFFPWNDXBXFJK-UHFFFAOYSA-N 0 0 348.837 4.807 50 0 EJAARN CN(Cc1ccc(F)cc1)C(=O)c1cccc(Oc2ccccc2)c1 ZINC000006874933 564100200 /nfs/dbraw/zinc/10/02/00/564100200.db2.gz JOJYWWGNBYSMQV-UHFFFAOYSA-N 0 0 335.378 4.890 50 0 EJAARN CCC[C@H](C(=O)Nc1nc2ccc(F)cc2s1)c1ccccc1 ZINC000006875822 564100288 /nfs/dbraw/zinc/10/02/88/564100288.db2.gz JFKMNQKTNMWDOV-AWEZNQCLSA-N 0 0 328.412 4.958 50 0 EJAARN CC(=O)c1ccc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)cc1 ZINC000006881537 564100614 /nfs/dbraw/zinc/10/06/14/564100614.db2.gz QJUBIHINYDLIDY-SFHVURJKSA-N 0 0 329.827 4.921 50 0 EJAARN O=C(NCCc1ccccc1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000006885128 564100676 /nfs/dbraw/zinc/10/06/76/564100676.db2.gz SGARZPKRRVUPJP-UHFFFAOYSA-N 0 0 325.795 4.573 50 0 EJAARN COc1ccc(C(C)(C)C)cc1NC(=O)CCOc1ccccc1C ZINC000006887235 564100697 /nfs/dbraw/zinc/10/06/97/564100697.db2.gz HKSAJSDVVYVJOF-UHFFFAOYSA-N 0 0 341.451 4.709 50 0 EJAARN O=C(Cc1coc2ccc3ccccc3c12)NCc1ccc(F)cc1 ZINC000006890601 564100758 /nfs/dbraw/zinc/10/07/58/564100758.db2.gz AKUNYRSRKMCWEI-UHFFFAOYSA-N 0 0 333.362 4.584 50 0 EJAARN O=C1OC(c2cccc(F)c2)=N/C1=C/c1ccc(-c2ccccc2)cc1 ZINC000006890286 564100772 /nfs/dbraw/zinc/10/07/72/564100772.db2.gz FSVQEBMSFJYWBW-DEDYPNTBSA-N 0 0 343.357 4.837 50 0 EJAARN O=C(Cc1ccccc1)N[C@@H]1CCCc2c3cccc(Cl)c3[nH]c21 ZINC000169773701 564100784 /nfs/dbraw/zinc/10/07/84/564100784.db2.gz FRJGFIDRAWNURC-QGZVFWFLSA-N 0 0 338.838 4.558 50 0 EJAARN Cc1cc2c(cc3c(SCc4ccccc4F)nnc(C)n23)o1 ZINC000006894156 564100930 /nfs/dbraw/zinc/10/09/30/564100930.db2.gz QMOGPKHGHSQZQB-UHFFFAOYSA-N 0 0 327.384 4.524 50 0 EJAARN Cc1nnc(SCc2ccc(Cl)cc2)c2cc3occc3n21 ZINC000006894124 564100943 /nfs/dbraw/zinc/10/09/43/564100943.db2.gz UOLQNNSHRYZCNU-UHFFFAOYSA-N 0 0 329.812 4.730 50 0 EJAARN COc1ccc2oc(-c3noc(CCc4ccccc4)n3)c(C)c2c1 ZINC000065097331 564101046 /nfs/dbraw/zinc/10/10/46/564101046.db2.gz RBGOOOTYZFUKEG-UHFFFAOYSA-N 0 0 334.375 4.585 50 0 EJAARN CCCN(CCC)c1ccc(-c2nc(-c3cccc(F)c3)no2)cn1 ZINC000065097897 564101054 /nfs/dbraw/zinc/10/10/54/564101054.db2.gz WCENHUADNAVPBG-UHFFFAOYSA-N 0 0 340.402 4.564 50 0 EJAARN Cc1ccc2[nH]c(SCC(=O)Nc3ccccc3C(C)C)nc2c1 ZINC000006908898 564101170 /nfs/dbraw/zinc/10/11/70/564101170.db2.gz XFYGENCZTUTZEL-UHFFFAOYSA-N 0 0 339.464 4.726 50 0 EJAARN CCn1c(C)c(C)c2cc(C(=O)NCCCc3ccccc3)ccc21 ZINC000006912443 564101209 /nfs/dbraw/zinc/10/12/09/564101209.db2.gz VOQGKZFGHNHCBS-UHFFFAOYSA-N 0 0 334.463 4.641 50 0 EJAARN Cc1ccc2c(ncc(C(=O)OC(C)C)c2Nc2ccc(C)c(C)c2)n1 ZINC000065114251 564101225 /nfs/dbraw/zinc/10/12/25/564101225.db2.gz MFCYFALLBQRLBY-UHFFFAOYSA-N 0 0 349.434 4.864 50 0 EJAARN CCOC(=O)c1cnc2nc(C)ccc2c1Nc1cccc(C(C)C)c1 ZINC000065114209 564101226 /nfs/dbraw/zinc/10/12/26/564101226.db2.gz QFESFXUKUSTGFX-UHFFFAOYSA-N 0 0 349.434 4.982 50 0 EJAARN CC[C@@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccccc1 ZINC000006913005 564101273 /nfs/dbraw/zinc/10/12/73/564101273.db2.gz LLFPQDYLOTXGMG-OAHLLOKOSA-N 0 0 334.463 4.835 50 0 EJAARN O=C(Nc1ccc(F)cc1Cl)c1noc2c1CCc1sccc1-2 ZINC000006915946 564101321 /nfs/dbraw/zinc/10/13/21/564101321.db2.gz QCTSPMGFALUAHL-UHFFFAOYSA-N 0 0 348.786 4.547 50 0 EJAARN Cc1cc(C)c(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c(C)c1 ZINC000006919644 564101349 /nfs/dbraw/zinc/10/13/49/564101349.db2.gz PXTVTNHZWSDTIH-UHFFFAOYSA-N 0 0 344.263 4.719 50 0 EJAARN Cc1oc(-c2cccs2)nc1CSc1nc2ncccc2o1 ZINC000006915457 564101446 /nfs/dbraw/zinc/10/14/46/564101446.db2.gz KRXMDBMBLHDISV-UHFFFAOYSA-N 0 0 329.406 4.540 50 0 EJAARN CC[C@H](C(=O)Nc1cc(-c2nnc(C)o2)sc1C)c1ccccc1 ZINC000065149188 564101672 /nfs/dbraw/zinc/10/16/72/564101672.db2.gz YQBYZHUXDGOHST-AWEZNQCLSA-N 0 0 341.436 4.547 50 0 EJAARN c1ccc(-c2nc3cc(-c4noc(-c5cccnc5)n4)ccc3o2)cc1 ZINC000065149823 564101839 /nfs/dbraw/zinc/10/18/39/564101839.db2.gz NZRVORQHTCNBAY-UHFFFAOYSA-N 0 0 340.342 4.607 50 0 EJAARN CSc1ncc(C(=O)Nc2cc(C)cc(C)c2)c(-c2ccccc2)n1 ZINC000006938164 564101867 /nfs/dbraw/zinc/10/18/67/564101867.db2.gz XWZAZTOSZFJBIH-UHFFFAOYSA-N 0 0 349.459 4.735 50 0 EJAARN COc1ccc(C(C)(C)C)cc1NC(=O)[C@H](C)Oc1cccc(C)c1 ZINC000006947555 564102086 /nfs/dbraw/zinc/10/20/86/564102086.db2.gz LUXBFPRVIFWKSH-HNNXBMFYSA-N 0 0 341.451 4.707 50 0 EJAARN Cc1cccc2sc(NC(=O)c3cc(F)c(F)cc3Cl)nc21 ZINC000006947687 564102119 /nfs/dbraw/zinc/10/21/19/564102119.db2.gz ZSJKTSGKMXWNNU-UHFFFAOYSA-N 0 0 338.766 4.789 50 0 EJAARN COc1ccccc1-c1noc(CSc2ccc3ccccc3n2)n1 ZINC000006984484 564102635 /nfs/dbraw/zinc/10/26/35/564102635.db2.gz UIDCBWOTXRQXKR-UHFFFAOYSA-N 0 0 349.415 4.586 50 0 EJAARN COc1ccccc1CN(C)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000006999986 564102707 /nfs/dbraw/zinc/10/27/07/564102707.db2.gz VFELKVZRVVXWAW-UHFFFAOYSA-N 0 0 331.415 4.634 50 0 EJAARN CC1CCC(NC(=O)CSCc2ccc(Cl)c(Cl)c2)CC1 ZINC000006998828 564102713 /nfs/dbraw/zinc/10/27/13/564102713.db2.gz NFGFRZDXNBRURX-UHFFFAOYSA-N 0 0 346.323 4.922 50 0 EJAARN c1ccc2c(c1)SCC[C@H]2Nc1ncnc2sc3c(c21)CCC3 ZINC000007006545 564103062 /nfs/dbraw/zinc/10/30/62/564103062.db2.gz ITLSEYVYSHWDOX-CYBMUJFWSA-N 0 0 339.489 4.829 50 0 EJAARN O=C(CCc1ccco1)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000036625859 564103769 /nfs/dbraw/zinc/10/37/69/564103769.db2.gz XBXYAVTVKXONKV-QFIPXVFZSA-N 0 0 345.398 4.864 50 0 EJAARN COc1ccc(-c2cccc3c2CCN(C(=O)C2CCC2)[C@@H]3C)cc1 ZINC000065293114 564104788 /nfs/dbraw/zinc/10/47/88/564104788.db2.gz NLBJBIWWLHMQNS-OAHLLOKOSA-N 0 0 335.447 4.608 50 0 EJAARN CCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(CC)cc1 ZINC000065320919 564105134 /nfs/dbraw/zinc/10/51/34/564105134.db2.gz AFKWBQWNVQGPTN-UHFFFAOYSA-N 0 0 349.434 4.811 50 0 EJAARN CCc1cccc(C)c1Nc1c(-c2ccc(N)cc2)nc2cnccn21 ZINC000065322805 564105255 /nfs/dbraw/zinc/10/52/55/564105255.db2.gz NTEHMBLMVOTBHL-UHFFFAOYSA-N 0 0 343.434 4.593 50 0 EJAARN CC(C)c1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2ccc(F)cc2)cc1 ZINC000065331526 564105370 /nfs/dbraw/zinc/10/53/70/564105370.db2.gz XPJMYPRKGDWLJU-SFHVURJKSA-N 0 0 349.409 4.609 50 0 EJAARN Fc1ccc(-c2noc(CSc3nc4ccccc4s3)n2)cc1 ZINC000007164145 564105572 /nfs/dbraw/zinc/10/55/72/564105572.db2.gz MUKDUMIBRXFWBC-UHFFFAOYSA-N 0 0 343.408 4.778 50 0 EJAARN Clc1ccccc1-c1nc(CSc2nncs2)cs1 ZINC000007195243 564105677 /nfs/dbraw/zinc/10/56/77/564105677.db2.gz FOSPGZQFLYSFAZ-UHFFFAOYSA-N 0 0 325.871 4.607 50 0 EJAARN CCCC(C)(C)NC(=O)c1sc(COc2ccc(C)cc2)nc1C ZINC000065406024 564105759 /nfs/dbraw/zinc/10/57/59/564105759.db2.gz MEWUFYPKMCFZSL-UHFFFAOYSA-N 0 0 346.496 4.647 50 0 EJAARN O=C(N[C@@H]1CCOc2ccccc21)c1ccccc1-c1ccccc1 ZINC000007216218 564105824 /nfs/dbraw/zinc/10/58/24/564105824.db2.gz WEYMNBBHNXPSTI-HXUWFJFHSA-N 0 0 329.399 4.607 50 0 EJAARN O=C(Cc1c[nH]c2ccccc12)Nc1ccc(N2CCCCCC2)cc1 ZINC000007227025 564105875 /nfs/dbraw/zinc/10/58/75/564105875.db2.gz UZTIEJXJRNEWPU-UHFFFAOYSA-N 0 0 347.462 4.730 50 0 EJAARN COc1ccc(N[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000007223414 564105883 /nfs/dbraw/zinc/10/58/83/564105883.db2.gz YETRVDZUGACRMN-INIZCTEOSA-N 0 0 346.430 4.801 50 0 EJAARN C[C@H](NC(=O)C(C)(C)c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000007265258 564106074 /nfs/dbraw/zinc/10/60/74/564106074.db2.gz MBFVKFDNQUCSFU-BZSISCHUSA-N 0 0 325.496 4.685 50 0 EJAARN COc1ccc(CCC(=O)Nc2c(C)cccc2C(C)C)cc1OC ZINC000007264139 564106096 /nfs/dbraw/zinc/10/60/96/564106096.db2.gz WULYHLDKRXCOJG-UHFFFAOYSA-N 0 0 341.451 4.707 50 0 EJAARN COc1ccc(SCc2cc(=O)oc3c(C)c(C)ccc23)cc1 ZINC000007294644 564106553 /nfs/dbraw/zinc/10/65/53/564106553.db2.gz BDYIQWZTMUASGI-UHFFFAOYSA-N 0 0 326.417 4.711 50 0 EJAARN COc1ccc(Nc2nc(-c3cc(OC)ccc3OC)cs2)cc1 ZINC000007363133 564107533 /nfs/dbraw/zinc/10/75/33/564107533.db2.gz QQYQJDRRDGVFAH-UHFFFAOYSA-N 0 0 342.420 4.580 50 0 EJAARN CCCOc1ccc(C(=O)Nc2ccccc2C)cc1OCCC ZINC000007400154 564107887 /nfs/dbraw/zinc/10/78/87/564107887.db2.gz KGHIFQACQDTSJW-UHFFFAOYSA-N 0 0 327.424 4.825 50 0 EJAARN CC[C@@H](O)c1nc2ccccc2n1CCCOc1cc(C)cc(C)c1 ZINC000007425472 564108360 /nfs/dbraw/zinc/10/83/60/564108360.db2.gz ZEOWFFPZXZPPFW-HXUWFJFHSA-N 0 0 338.451 4.566 50 0 EJAARN c1ccc(-c2nnc(CNC(c3ccccc3)c3ccccc3)o2)cc1 ZINC000007448113 564108602 /nfs/dbraw/zinc/10/86/02/564108602.db2.gz SVEWELBRZFZQQF-UHFFFAOYSA-N 0 0 341.414 4.616 50 0 EJAARN c1ccc(-c2noc(CNC(c3ccccc3)c3ccccc3)n2)cc1 ZINC000007448362 564108644 /nfs/dbraw/zinc/10/86/44/564108644.db2.gz ATZGGBGNRYMKLH-UHFFFAOYSA-N 0 0 341.414 4.616 50 0 EJAARN CCc1ccccc1NC(=O)c1sc(-c2ccsc2)nc1C ZINC000007466600 564108700 /nfs/dbraw/zinc/10/87/00/564108700.db2.gz OOMULCKSESWNJC-UHFFFAOYSA-N 0 0 328.462 4.995 50 0 EJAARN Cc1ccc(-c2nnc([C@H](C)OCc3ccc(Cl)cc3)o2)cc1 ZINC000170604733 564109493 /nfs/dbraw/zinc/10/94/93/564109493.db2.gz SWSBIBQXGLGEKW-ZDUSSCGKSA-N 0 0 328.799 4.976 50 0 EJAARN CCCn1ccc(CNC(=O)c2ccc(Cl)cc2SCC)c1 ZINC000170614362 564109926 /nfs/dbraw/zinc/10/99/26/564109926.db2.gz WYAVDZVNPZVLSA-UHFFFAOYSA-N 0 0 336.888 4.594 50 0 EJAARN Cc1ccc(CN(C)C(=O)c2cc3c(ccc4ccccc34)[nH]2)s1 ZINC000170620855 564110287 /nfs/dbraw/zinc/11/02/87/564110287.db2.gz DSMGLWNTNCGLEB-UHFFFAOYSA-N 0 0 334.444 4.963 50 0 EJAARN Cc1nc2ccccc2cc1C(=O)Nc1cccc(N(C)C(C)C)c1 ZINC000170623458 564110417 /nfs/dbraw/zinc/11/04/17/564110417.db2.gz UXNZZHTWWBGXAQ-UHFFFAOYSA-N 0 0 333.435 4.640 50 0 EJAARN CN(C(=O)CC1(O)CCCCC1)c1ccc(Oc2ccccc2)cc1 ZINC000170626705 564110518 /nfs/dbraw/zinc/11/05/18/564110518.db2.gz RNHAPWHNQWHFDR-UHFFFAOYSA-N 0 0 339.435 4.527 50 0 EJAARN Cc1cccc([C@H]2CCCCCN2C(=O)c2cc(C(C)C)n[nH]2)c1 ZINC000170630491 564110597 /nfs/dbraw/zinc/11/05/97/564110597.db2.gz QDRDOBUIQPZTCB-LJQANCHMSA-N 0 0 325.456 4.599 50 0 EJAARN CN(C(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C)C1CCCCCCC1 ZINC000170631354 564110692 /nfs/dbraw/zinc/11/06/92/564110692.db2.gz UYMUQBOQYKCYGM-AEFFLSMTSA-N 0 0 338.536 4.582 50 0 EJAARN CC(C)Oc1cc(C(=O)N(C)Cc2cccs2)cc2occc21 ZINC000071195353 564110773 /nfs/dbraw/zinc/11/07/73/564110773.db2.gz HGYUJFIASPFAGS-UHFFFAOYSA-N 0 0 329.421 4.554 50 0 EJAARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@H](c2cccc3cccnc32)S1 ZINC000071284608 564110894 /nfs/dbraw/zinc/11/08/94/564110894.db2.gz CGBNMAYMFPMUPT-INIZCTEOSA-N 0 0 338.436 4.604 50 0 EJAARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@@H](c2ccc(F)cc2Cl)S1 ZINC000071286223 564110950 /nfs/dbraw/zinc/11/09/50/564110950.db2.gz DDHORWPFYRCCKH-CYBMUJFWSA-N 0 0 339.823 4.848 50 0 EJAARN CC1=C(C)[C@@H](Nc2cccc(C(F)(F)F)c2)N(CCC(C)C)C1=O ZINC000004561545 564111685 /nfs/dbraw/zinc/11/16/85/564111685.db2.gz LDERSMYAKWFNOR-INIZCTEOSA-N 0 0 340.389 4.668 50 0 EJAARN Cc1ccc(NC(=S)Nc2ccccc2C(F)(F)F)cc1F ZINC000013736932 564111919 /nfs/dbraw/zinc/11/19/19/564111919.db2.gz AUKKGDSBXOAJMV-UHFFFAOYSA-N 0 0 328.334 4.962 50 0 EJAARN Cc1cc(C)cc(NC(=S)N2c3ccc(F)cc3CC[C@H]2C)c1 ZINC000013829586 564112111 /nfs/dbraw/zinc/11/21/11/564112111.db2.gz HXRXFUZGMOKMCT-CQSZACIVSA-N 0 0 328.456 4.981 50 0 EJAARN COc1ccccc1NC(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000014673846 564113195 /nfs/dbraw/zinc/11/31/95/564113195.db2.gz PZEUPVTYJIJDOJ-UHFFFAOYSA-N 0 0 337.350 4.879 50 0 EJAARN COc1ccc2ccccc2c1CNc1ccc(-c2n[nH]c(C)n2)cc1 ZINC000089708943 564113289 /nfs/dbraw/zinc/11/32/89/564113289.db2.gz PBJAAEYAXISRDY-UHFFFAOYSA-N 0 0 344.418 4.554 50 0 EJAARN Cn1ncc(Nc2nc3cc(C(F)(F)F)ccc3s2)c1C(F)F ZINC000089741049 564113502 /nfs/dbraw/zinc/11/35/02/564113502.db2.gz GSJDXCWNAJQFLO-UHFFFAOYSA-N 0 0 348.300 4.730 50 0 EJAARN Cc1ccc(CSc2nccn3nc(-c4ccccc4)cc23)cc1 ZINC000016842863 564113819 /nfs/dbraw/zinc/11/38/19/564113819.db2.gz GFVRGDGSFFXCMK-UHFFFAOYSA-N 0 0 331.444 4.997 50 0 EJAARN c1cc2c(ncnc2N2CCCC[C@@H]2c2cc3ccccc3[nH]2)s1 ZINC000089872995 564114389 /nfs/dbraw/zinc/11/43/89/564114389.db2.gz BVCFTBPLQLGAFO-QGZVFWFLSA-N 0 0 334.448 4.904 50 0 EJAARN CC(C)(C)c1csc([C@@H]2CCCCN2C(=O)CCc2ccco2)n1 ZINC000076042955 564114773 /nfs/dbraw/zinc/11/47/73/564114773.db2.gz URFUENDGOVHOTP-HNNXBMFYSA-N 0 0 346.496 4.720 50 0 EJAARN CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H](c2ccccc2)c2ccncc2)C1(C)C ZINC000089914098 564115176 /nfs/dbraw/zinc/11/51/76/564115176.db2.gz GJHNJNQPARNKHX-AQNXPRMDSA-N 0 0 334.463 4.526 50 0 EJAARN CC(C)=C[C@@H]1[C@@H](C(=O)OCc2ncc(-c3ccccc3)o2)C1(C)C ZINC000089914111 564115215 /nfs/dbraw/zinc/11/52/15/564115215.db2.gz NGISNRZQKUCZRE-QAPCUYQASA-N 0 0 325.408 4.623 50 0 EJAARN C[C@@H]1SCCN(C(=O)Nc2ccccc2CCC(F)(F)F)[C@H]1C ZINC000089920031 564115388 /nfs/dbraw/zinc/11/53/88/564115388.db2.gz JLAHWJFNBRLTQM-RYUDHWBXSA-N 0 0 346.418 4.539 50 0 EJAARN CC[C@H]1CCCN(C(=O)Nc2ccc3nc(C4CC4)sc3c2)C1 ZINC000089948293 564115715 /nfs/dbraw/zinc/11/57/15/564115715.db2.gz OGPYGSSHWKQVQG-LBPRGKRZSA-N 0 0 329.469 4.828 50 0 EJAARN Cc1cc(C)c2sc(NC(=O)c3ccc4ccccc4c3)nc2n1 ZINC000017014100 564116139 /nfs/dbraw/zinc/11/61/39/564116139.db2.gz SMEUOSATSZKDGZ-UHFFFAOYSA-N 0 0 333.416 4.714 50 0 EJAARN CCOc1ccccc1-c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000017068731 564116339 /nfs/dbraw/zinc/11/63/39/564116339.db2.gz SWWYDFRXARFOJY-UHFFFAOYSA-N 0 0 334.297 4.821 50 0 EJAARN Cc1ccc2cc(C(=O)N3C[C@H](c4ccccc4C)C[C@H]3C)[nH]c2c1 ZINC000170634445 564116570 /nfs/dbraw/zinc/11/65/70/564116570.db2.gz DGNZUULCKOTSNO-SJLPKXTDSA-N 0 0 332.447 4.803 50 0 EJAARN Cc1cc(C)cc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 ZINC000000150808 564116649 /nfs/dbraw/zinc/11/66/49/564116649.db2.gz BFJLFLPJDRHTKJ-HNNXBMFYSA-N 0 0 331.843 4.980 50 0 EJAARN Cc1c2ccccc2oc1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000000461108 564116699 /nfs/dbraw/zinc/11/66/99/564116699.db2.gz AMDUSDNBVDCIBC-UHFFFAOYSA-N 0 0 333.431 4.836 50 0 EJAARN CCC(=O)N(CC[C@@H](C(C)C)[C@H]1CCOC(C)(C)C1)Cc1ccco1 ZINC000002106205 564117932 /nfs/dbraw/zinc/11/79/32/564117932.db2.gz LSPWQLQHZZKYDW-HKUYNNGSSA-N 0 0 349.515 4.886 50 0 biogenic EJAARN COc1ccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000000395191 564118877 /nfs/dbraw/zinc/11/88/77/564118877.db2.gz GTAZWVNPSJYNIY-UHFFFAOYSA-N 0 0 346.430 4.930 50 0 EJAARN O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc(Cl)ccc1O ZINC000000401677 564118882 /nfs/dbraw/zinc/11/88/82/564118882.db2.gz DCHMTYGZNUWTJR-UHFFFAOYSA-N 0 0 331.586 4.996 50 0 EJAARN CCn1c(SCc2cccc(Cl)c2)nnc1-c1cccs1 ZINC000000529740 564118913 /nfs/dbraw/zinc/11/89/13/564118913.db2.gz RBRGJLMJMFOXBH-UHFFFAOYSA-N 0 0 335.885 4.972 50 0 EJAARN O=C(Nc1ccc(Cl)c2ncsc21)c1nc2ccccc2s1 ZINC000007598828 564118989 /nfs/dbraw/zinc/11/89/89/564118989.db2.gz QLRBNNYXOARTJK-UHFFFAOYSA-N 0 0 345.836 4.812 50 0 EJAARN Oc1ccc(-c2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000002983471 564119110 /nfs/dbraw/zinc/11/91/10/564119110.db2.gz IMTOUFRGGYTBEV-UHFFFAOYSA-N 0 0 332.222 4.945 50 0 EJAARN Cc1ccc(CN(C)C(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)o1 ZINC000252488955 564119433 /nfs/dbraw/zinc/11/94/33/564119433.db2.gz JCRIRYSVPMQRFR-INIZCTEOSA-N 0 0 349.434 4.553 50 0 EJAARN Cc1cccc(F)c1NC(=O)N(Cc1c(F)cccc1F)C1CC1 ZINC000252492226 564119584 /nfs/dbraw/zinc/11/95/84/564119584.db2.gz MGANJPGBQSIRIV-UHFFFAOYSA-N 0 0 334.341 4.609 50 0 EJAARN CCCc1cc(=O)oc2c1ccc1c2CN(c2cccc(CC)c2)CO1 ZINC000002159508 564119621 /nfs/dbraw/zinc/11/96/21/564119621.db2.gz MHVGMZPHMHDDDH-UHFFFAOYSA-N 0 0 349.430 4.664 50 0 biogenic EJAARN Cc1[nH]c2ccccc2c1C(=O)OCc1nc(-c2ccccc2)oc1C ZINC000170650089 564120321 /nfs/dbraw/zinc/12/03/21/564120321.db2.gz CJNHIRAWWCZWDR-UHFFFAOYSA-N 0 0 346.386 4.797 50 0 EJAARN Cc1nc(C2CC2)oc1C(=O)N1CCCCC[C@@H]1C1CCCCC1 ZINC000252539014 564120609 /nfs/dbraw/zinc/12/06/09/564120609.db2.gz NSDRHRROSVJTHY-QGZVFWFLSA-N 0 0 330.472 4.826 50 0 EJAARN COc1ccc(Cl)cc1-c1nc(SCc2ccc(F)cc2)n[nH]1 ZINC000007605261 564120895 /nfs/dbraw/zinc/12/08/95/564120895.db2.gz GUGDTURDVIGENH-UHFFFAOYSA-N 0 0 349.818 4.565 50 0 EJAARN Cc1cc(C)cc(NC(=O)COc2ccc(Cl)c3cccnc23)c1 ZINC000007612358 564120991 /nfs/dbraw/zinc/12/09/91/564120991.db2.gz AWKSSDODWFVHHO-UHFFFAOYSA-N 0 0 340.810 4.523 50 0 EJAARN O=C(Nc1nc(-c2ccccc2Cl)cs1)c1ccc(F)cc1 ZINC000007640718 564121390 /nfs/dbraw/zinc/12/13/90/564121390.db2.gz PDYVJZVPXBQZOY-UHFFFAOYSA-N 0 0 332.787 4.855 50 0 EJAARN C[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000007644683 564121484 /nfs/dbraw/zinc/12/14/84/564121484.db2.gz FKUKEJDIVOXYQL-SNVBAGLBSA-N 0 0 327.733 4.850 50 0 EJAARN Cc1ccc(NC(=O)CCCOc2cccc(Br)c2)cc1 ZINC000007652061 564121561 /nfs/dbraw/zinc/12/15/61/564121561.db2.gz RRDBVIGOARLMQJ-UHFFFAOYSA-N 0 0 348.240 4.555 50 0 EJAARN Cc1cc(C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)c(C)o1 ZINC000007670415 564121755 /nfs/dbraw/zinc/12/17/55/564121755.db2.gz YFCQKQYKKUEOSL-UHFFFAOYSA-N 0 0 326.421 4.889 50 0 EJAARN Cc1ccc(C)c(OCC(=O)Nc2nc(-c3cccs3)cs2)c1 ZINC000007670505 564121761 /nfs/dbraw/zinc/12/17/61/564121761.db2.gz XRUVMGNPOKXBGI-UHFFFAOYSA-N 0 0 344.461 4.506 50 0 EJAARN CO[C@@H](C)c1cccc(NC(=O)c2cnc(-c3ccccc3)s2)c1 ZINC000170728270 564122048 /nfs/dbraw/zinc/12/20/48/564122048.db2.gz AQYCDPVKXJUTHQ-ZDUSSCGKSA-N 0 0 338.432 4.770 50 0 EJAARN Cc1c2cc(F)ccc2oc1C(=O)N(CC(F)(F)F)[C@H](C)C1CC1 ZINC000007734628 564122387 /nfs/dbraw/zinc/12/23/87/564122387.db2.gz RPOSGAFTQUKFQD-SNVBAGLBSA-N 0 0 343.320 4.683 50 0 EJAARN Cc1ccc(-c2csc(NC(=O)C3(c4ccccc4)CC3)n2)s1 ZINC000007735688 564122419 /nfs/dbraw/zinc/12/24/19/564122419.db2.gz ACECVVVVWPTQRR-UHFFFAOYSA-N 0 0 340.473 4.850 50 0 EJAARN O=C(NCc1ccccc1Cl)c1ccc(-c2ccccc2F)o1 ZINC000007737052 564122497 /nfs/dbraw/zinc/12/24/97/564122497.db2.gz KSJJKDXQSVSGRB-UHFFFAOYSA-N 0 0 329.758 4.669 50 0 EJAARN COc1ccc(C)cc1CSc1nnc(-c2cc(C)cc(C)c2)o1 ZINC000007743863 564122581 /nfs/dbraw/zinc/12/25/81/564122581.db2.gz SAYUOHDCONMMDF-UHFFFAOYSA-N 0 0 340.448 4.963 50 0 EJAARN COc1ccc(Nc2nc3cc(C)nn3c3ccccc32)cc1Cl ZINC000007777091 564123025 /nfs/dbraw/zinc/12/30/25/564123025.db2.gz UEPMDBGYQDTADT-UHFFFAOYSA-N 0 0 338.798 4.597 50 0 EJAARN COc1ccc(Nc2nc3c(Cl)c(C)nn3c3ccccc23)cc1 ZINC000007777836 564123048 /nfs/dbraw/zinc/12/30/48/564123048.db2.gz HTCDWYHWZLKVQQ-UHFFFAOYSA-N 0 0 338.798 4.597 50 0 EJAARN Cc1cc2nc(N[C@H]3CCCc4ccccc43)c3ccccc3n2n1 ZINC000007779758 564123134 /nfs/dbraw/zinc/12/31/34/564123134.db2.gz FGRUOTMOYIFDSE-SFHVURJKSA-N 0 0 328.419 4.680 50 0 EJAARN O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000007780517 564123156 /nfs/dbraw/zinc/12/31/56/564123156.db2.gz IBEAOTZZIAVUMH-XLIONFOSSA-N 0 0 349.478 4.545 50 0 EJAARN Cc1cc(Cl)ccc1OCCCC(=O)N[C@H](C)c1cccs1 ZINC000007792683 564123403 /nfs/dbraw/zinc/12/34/03/564123403.db2.gz XNUIQDNNDSMUEB-CYBMUJFWSA-N 0 0 337.872 4.746 50 0 EJAARN CC(=O)Nc1ccc(OC(=O)c2cccc(Oc3ccccc3)c2)cc1 ZINC000007797457 564123454 /nfs/dbraw/zinc/12/34/54/564123454.db2.gz HWUOCZITKQNAJO-UHFFFAOYSA-N 0 0 347.370 4.657 50 0 EJAARN CCc1ccc(Cl)c(CC)c1NC(=O)COc1cccc(F)c1 ZINC000007801705 564123556 /nfs/dbraw/zinc/12/35/56/564123556.db2.gz SMIGEFOQTOFDFH-UHFFFAOYSA-N 0 0 335.806 4.621 50 0 EJAARN Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc2c(c1)CCC2 ZINC000007801927 564123571 /nfs/dbraw/zinc/12/35/71/564123571.db2.gz UMVMBZIEVXTXFJ-UHFFFAOYSA-N 0 0 330.431 4.522 50 0 EJAARN O=C(/C=C/c1cccc(Cl)c1)N[C@H](c1ccco1)c1ccccc1 ZINC000007808762 564123790 /nfs/dbraw/zinc/12/37/90/564123790.db2.gz CYEKOSQFXAVEPZ-SGWGQVFISA-N 0 0 337.806 4.852 50 0 EJAARN O=C1Nc2ccccc2N=C(c2ccccc2)/C1=C/c1cccs1 ZINC000007814863 564123993 /nfs/dbraw/zinc/12/39/93/564123993.db2.gz LZBNTAQJEXKHQB-SSZFMOIBSA-N 0 0 330.412 4.905 50 0 EJAARN COc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1ccsc1 ZINC000007884852 564124386 /nfs/dbraw/zinc/12/43/86/564124386.db2.gz FEYXYDXCSVFGIR-SFHVURJKSA-N 0 0 336.416 4.528 50 0 EJAARN CCCN1C(=O)c2ccccc2N[C@H]1c1cccc(C(F)(F)F)c1 ZINC000007886475 564124452 /nfs/dbraw/zinc/12/44/52/564124452.db2.gz OJBPVOJRUNCPJD-MRXNPFEDSA-N 0 0 334.341 4.682 50 0 EJAARN C[C@@H]1CCN(C(=O)CSc2ccccc2F)c2ccccc2S1 ZINC000007910521 564125089 /nfs/dbraw/zinc/12/50/89/564125089.db2.gz KQCDIQMMZNVBJV-CYBMUJFWSA-N 0 0 347.480 4.835 50 0 EJAARN Cc1c(C(=O)Nc2ccc(C)cc2)sc2nc(-c3ccccc3)cn12 ZINC000002710373 564125244 /nfs/dbraw/zinc/12/52/44/564125244.db2.gz GJZLDCIFQRXTBI-UHFFFAOYSA-N 0 0 347.443 4.932 50 0 EJAARN O=C(Nc1cccc(-c2nc3cccnc3s2)c1)c1cccc(F)c1 ZINC000002961509 564125250 /nfs/dbraw/zinc/12/52/50/564125250.db2.gz FCYOYTLVEKBAFV-UHFFFAOYSA-N 0 0 349.390 4.750 50 0 EJAARN FC(F)(F)c1cccc(-c2nnn3c2nc(Cl)c2ccccc23)c1 ZINC000002694112 564125269 /nfs/dbraw/zinc/12/52/69/564125269.db2.gz HPMRZGGTTWCRCU-UHFFFAOYSA-N 0 0 348.715 4.617 50 0 EJAARN CC(C)(C)OC(=O)C(C)(C)Sc1ccc(Br)cc1 ZINC000011919402 564127867 /nfs/dbraw/zinc/12/78/67/564127867.db2.gz SYNUPKFIWSYGPA-UHFFFAOYSA-N 0 0 331.275 4.662 50 0 EJAARN Fc1cnc(Cl)nc1Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000114323290 564130290 /nfs/dbraw/zinc/13/02/90/564130290.db2.gz IZOZKVHSYJQORQ-UHFFFAOYSA-N 0 0 326.080 4.685 50 0 EJAARN c1nc(C2CCC2)sc1CN[C@H](c1ccccc1)c1cccnc1 ZINC000253418661 564130895 /nfs/dbraw/zinc/13/08/95/564130895.db2.gz XSWXUSGPEVMMAD-LJQANCHMSA-N 0 0 335.476 4.685 50 0 EJAARN CCCCSc1nc(CC)nc2sc3c(c21)CC(C)(C)OC3 ZINC000002326547 564132342 /nfs/dbraw/zinc/13/23/42/564132342.db2.gz KVAGXFMNYUCYHG-UHFFFAOYSA-N 0 0 336.526 4.997 50 0 EJAARN C[C@H](Cc1cc2ccccc2o1)NC(=O)Cc1c(F)cccc1Cl ZINC000253471449 564132617 /nfs/dbraw/zinc/13/26/17/564132617.db2.gz CQICSIGQDZPQDI-GFCCVEGCSA-N 0 0 345.801 4.515 50 0 EJAARN C[C@@H](Cc1cc2ccccc2o1)NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000253471905 564132641 /nfs/dbraw/zinc/13/26/41/564132641.db2.gz GNPYZBQWXIAKNA-HIGJEIRPSA-N 0 0 337.463 4.696 50 0 EJAARN C[C@@H](Cc1cc2ccccc2o1)NC(=O)c1c(F)cccc1Cl ZINC000253473052 564132668 /nfs/dbraw/zinc/13/26/68/564132668.db2.gz RDWKESQTXKAVDF-NSHDSACASA-N 0 0 331.774 4.586 50 0 EJAARN C[C@H](Cc1cc2ccccc2o1)NC(=O)c1c(F)cccc1Cl ZINC000253473051 564132670 /nfs/dbraw/zinc/13/26/70/564132670.db2.gz RDWKESQTXKAVDF-LLVKDONJSA-N 0 0 331.774 4.586 50 0 EJAARN Cc1cc(SCc2ccccc2)n2ncc(-c3ccccc3)c2n1 ZINC000002398847 564134503 /nfs/dbraw/zinc/13/45/03/564134503.db2.gz VECDJNMICIXTPZ-UHFFFAOYSA-N 0 0 331.444 4.997 50 0 EJAARN Oc1ccc(-c2n[nH]cc2Oc2ccc(-c3ccccc3)cc2)c(O)c1 ZINC000007943197 564135378 /nfs/dbraw/zinc/13/53/78/564135378.db2.gz MYZMXCNHMAUYHZ-UHFFFAOYSA-N 0 0 344.370 4.947 50 0 EJAARN C[C@]12C[C@H](CC(C)(C)C1)N(C(=O)CCCc1c[nH]c3ccccc13)C2 ZINC000012891914 564135712 /nfs/dbraw/zinc/13/57/12/564135712.db2.gz QPSXUQATDXZIHV-JTSKRJEESA-N 0 0 338.495 4.918 50 0 biogenic EJAARN CCc1ccc(NC(=O)[C@@H](C)Nc2cc(C)c(Cl)cc2OC)cc1 ZINC000013069868 564135937 /nfs/dbraw/zinc/13/59/37/564135937.db2.gz UEPVXHWOSLVENT-CYBMUJFWSA-N 0 0 346.858 4.659 50 0 EJAARN Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccc(F)cc1F ZINC000007951563 564136109 /nfs/dbraw/zinc/13/61/09/564136109.db2.gz SJLKIRVFVSPAKM-UHFFFAOYSA-N 0 0 336.388 4.711 50 0 EJAARN CCc1ccc([C@@H]2CCCCCN2C(=O)Cc2cccc(F)c2)o1 ZINC000078850058 564137268 /nfs/dbraw/zinc/13/72/68/564137268.db2.gz FMWZSNYLDXHZLS-SFHVURJKSA-N 0 0 329.415 4.668 50 0 EJAARN Cc1noc(C)c1CC(=O)N([C@H](C)c1cccc2ccccc21)C1CC1 ZINC000078872859 564137269 /nfs/dbraw/zinc/13/72/69/564137269.db2.gz XTXORNYPRGFVSL-OAHLLOKOSA-N 0 0 348.446 4.739 50 0 EJAARN Cc1nnc([C@@H](C)N[C@H](C)c2ccc(Oc3ccccc3)c(F)c2)o1 ZINC000079029696 564137671 /nfs/dbraw/zinc/13/76/71/564137671.db2.gz YTXZRSFELDYRJF-CHWSQXEVSA-N 0 0 341.386 4.721 50 0 EJAARN O=C(N[C@H](c1ccsc1)c1cccs1)c1ccc(F)c(F)c1 ZINC000390826404 564138481 /nfs/dbraw/zinc/13/84/81/564138481.db2.gz KCOGRRUSALEPML-OAHLLOKOSA-N 0 0 335.400 4.607 50 0 EJAARN CC(C)Oc1ccc(C(=O)NCCCc2cc3ccccc3o2)cc1 ZINC000390832022 564138721 /nfs/dbraw/zinc/13/87/21/564138721.db2.gz WRHZVFGDCSICKP-UHFFFAOYSA-N 0 0 337.419 4.583 50 0 EJAARN O=C(c1cnc(-c2cccs2)s1)N1CCCc2cccc(F)c21 ZINC000066283209 564139160 /nfs/dbraw/zinc/13/91/60/564139160.db2.gz HEYJTSKKFGLXAS-UHFFFAOYSA-N 0 0 344.436 4.604 50 0 EJAARN O=C(Nc1cccc(C2SCCCS2)c1)[C@@H]1C[C@H]1c1ccco1 ZINC000095381715 564139382 /nfs/dbraw/zinc/13/93/82/564139382.db2.gz JIUZKCXZMLZPBV-HUUCEWRRSA-N 0 0 345.489 4.891 50 0 EJAARN CCc1nnc([C@H](C)Nc2ccc(OCc3ccco3)c(Cl)c2)o1 ZINC000095404405 564139548 /nfs/dbraw/zinc/13/95/48/564139548.db2.gz QAEUYEDOHYVNRZ-NSHDSACASA-N 0 0 347.802 4.631 50 0 EJAARN Cc1csc(-c2cccc(NCc3c[nH]nc3-c3cccnc3)c2)n1 ZINC000095428876 564140268 /nfs/dbraw/zinc/14/02/68/564140268.db2.gz LWTVLNKKOQUVIQ-UHFFFAOYSA-N 0 0 347.447 4.516 50 0 EJAARN Fc1ccc(-c2nc(Cn3nc(Cl)c4ccccc43)co2)cc1 ZINC000095455653 564140644 /nfs/dbraw/zinc/14/06/44/564140644.db2.gz RYSPTPWMGSUGDA-UHFFFAOYSA-N 0 0 327.746 4.532 50 0 EJAARN CC[C@H](C)n1nc(NC(=O)Cc2ccc(Cl)cc2Cl)cc1C ZINC000095463237 564140865 /nfs/dbraw/zinc/14/08/65/564140865.db2.gz PWFBCVGEALUEAA-JTQLQIEISA-N 0 0 340.254 4.651 50 0 EJAARN C[C@H](c1nc2ccccc2o1)N(C)Cc1ccccc1Br ZINC000095465874 564141016 /nfs/dbraw/zinc/14/10/16/564141016.db2.gz RBALQSXJESIXIL-GFCCVEGCSA-N 0 0 345.240 4.783 50 0 EJAARN O=C1CS[C@H](C2CCCCC2)c2cnn(Cc3cccs3)c2N1 ZINC000095475816 564141393 /nfs/dbraw/zinc/14/13/93/564141393.db2.gz QAMWVCWTBUZMQR-MRXNPFEDSA-N 0 0 347.509 4.949 50 0 EJAARN O=C1CS[C@@H](C2CCCCC2)c2cnn(Cc3cccs3)c2N1 ZINC000095475815 564141396 /nfs/dbraw/zinc/14/13/96/564141396.db2.gz QAMWVCWTBUZMQR-INIZCTEOSA-N 0 0 347.509 4.949 50 0 EJAARN Cc1c(Cl)cccc1NC(=O)N1C[C@H]2CCCN2c2ccccc21 ZINC000020597607 564141662 /nfs/dbraw/zinc/14/16/62/564141662.db2.gz DUKJKTOTLADTNR-CQSZACIVSA-N 0 0 341.842 4.669 50 0 EJAARN C[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2)c2cc(Cl)ccc2O1 ZINC000020863804 564141829 /nfs/dbraw/zinc/14/18/29/564141829.db2.gz XILYKHWROOKOLG-SNVBAGLBSA-N 0 0 337.206 4.813 50 0 EJAARN Cc1ccc(NC(=O)N2C[C@H]3CCCN3c3ccccc32)c(Cl)c1 ZINC000020985411 564141885 /nfs/dbraw/zinc/14/18/85/564141885.db2.gz TYPVESWMMUDWAU-CQSZACIVSA-N 0 0 341.842 4.669 50 0 EJAARN Cc1oc(-c2ccccc2)nc1C[S@](=O)c1cccc(Cl)c1 ZINC000095953345 564142385 /nfs/dbraw/zinc/14/23/85/564142385.db2.gz SSJDUDVONKSOSN-JOCHJYFZSA-N 0 0 331.824 4.611 50 0 EJAARN Cc1ccc2nc(C3CC3)cc(C(=O)N(C)[C@@H](C)c3ccncc3)c2c1 ZINC000095963105 564142812 /nfs/dbraw/zinc/14/28/12/564142812.db2.gz HVFQKMWZQKHEAY-HNNXBMFYSA-N 0 0 345.446 4.649 50 0 EJAARN O=c1ccn(CCCc2ccc(C(F)(F)F)cc2)c2ccccc12 ZINC000095965860 564142943 /nfs/dbraw/zinc/14/29/43/564142943.db2.gz KTQBBWJYNODRAA-UHFFFAOYSA-N 0 0 331.337 4.653 50 0 EJAARN CCCCOC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCCCC1 ZINC000096026441 564144937 /nfs/dbraw/zinc/14/49/37/564144937.db2.gz TUBRAMWZHKDSJN-MRXNPFEDSA-N 0 0 344.282 4.864 50 0 EJAARN C[C@@H](N(C)C(=O)/C=C\c1csc(-c2ccc(F)cc2)n1)C1(C)CC1 ZINC000096057850 564145156 /nfs/dbraw/zinc/14/51/56/564145156.db2.gz NLGKYOCJXLETAL-LJTDUEICSA-N 0 0 344.455 4.609 50 0 EJAARN CO[C@@H](CNC(=O)c1ccc(-c2ccccc2)cc1)c1ccsc1 ZINC000096103334 564145268 /nfs/dbraw/zinc/14/52/68/564145268.db2.gz KVHKNYBRRMSFGH-IBGZPJMESA-N 0 0 337.444 4.533 50 0 EJAARN O=C(CSC/C=C\c1ccccc1)NC12CC3CC(CC(C3)C1)C2 ZINC000096121262 564145556 /nfs/dbraw/zinc/14/55/56/564145556.db2.gz RAWDZAUWCRYWIL-DAXSKMNVSA-N 0 0 341.520 4.518 50 0 EJAARN O=C(Nc1cccc2cccnc21)c1cccc(Oc2ccccn2)c1 ZINC000096122655 564145625 /nfs/dbraw/zinc/14/56/25/564145625.db2.gz CAFCOYLBWUWHMO-UHFFFAOYSA-N 0 0 341.370 4.674 50 0 EJAARN COc1ccc(Nc2nc(-c3ccc4nsnc4c3)cs2)cc1 ZINC000096124468 564145699 /nfs/dbraw/zinc/14/56/99/564145699.db2.gz GJLNDVWLOQXDQO-UHFFFAOYSA-N 0 0 340.433 4.567 50 0 EJAARN CC(C)CNC(=O)C[C@@H](c1c[nH]c2ccccc21)C1CCCCC1 ZINC000096275483 564146211 /nfs/dbraw/zinc/14/62/11/564146211.db2.gz PUVAIUYYTSRHRF-GOSISDBHSA-N 0 0 326.484 4.994 50 0 EJAARN Cc1ccc2oc(-c3ccc(NC(=O)c4ccco4)c(C)c3)nc2c1 ZINC000096279193 564146326 /nfs/dbraw/zinc/14/63/26/564146326.db2.gz FITNPZQNZSKWPP-UHFFFAOYSA-N 0 0 332.359 4.957 50 0 EJAARN CC[C@H](C)[C@H](NC(=O)c1ccccc1)c1nc(-c2ccc(C)cc2)no1 ZINC000096279009 564146343 /nfs/dbraw/zinc/14/63/43/564146343.db2.gz QIBBYOKJMCLEHY-YJBOKZPZSA-N 0 0 349.434 4.562 50 0 EJAARN COc1ccc(CNC(=O)c2oc3c(ccc4ccccc34)c2C)cc1 ZINC000007969319 564146670 /nfs/dbraw/zinc/14/66/70/564146670.db2.gz WSRIAHVHEQIVHN-UHFFFAOYSA-N 0 0 345.398 4.833 50 0 EJAARN CC[C@@H](C(=O)NC[C@](C)(OC)c1cccc(Cl)c1)c1ccccc1 ZINC000096392427 564147004 /nfs/dbraw/zinc/14/70/04/564147004.db2.gz RQECXSYQWYUETO-QUCCMNQESA-N 0 0 345.870 4.512 50 0 EJAARN CC[C@H](C(=O)NC[C@](C)(OC)c1cccc(Cl)c1)c1ccccc1 ZINC000096392426 564147015 /nfs/dbraw/zinc/14/70/15/564147015.db2.gz RQECXSYQWYUETO-ICSRJNTNSA-N 0 0 345.870 4.512 50 0 EJAARN O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)c1ccsc1 ZINC000096408273 564147463 /nfs/dbraw/zinc/14/74/63/564147463.db2.gz CGNYKVYBCPAVRB-QHCPKHFHSA-N 0 0 347.505 4.582 50 0 EJAARN CCC(=O)Nc1ccc(C)c(NCc2cnc(-c3ccco3)s2)c1 ZINC000225608963 564149947 /nfs/dbraw/zinc/14/99/47/564149947.db2.gz FZFFACJEFUSEDR-UHFFFAOYSA-N 0 0 341.436 4.672 50 0 EJAARN Cc1nc2oc(-c3ccccc3)nc2cc1NC(=O)c1cccc(F)c1 ZINC000225626278 564150022 /nfs/dbraw/zinc/15/00/22/564150022.db2.gz MYSSQUPZZZQJEQ-UHFFFAOYSA-N 0 0 347.349 4.590 50 0 EJAARN O=C(c1cc2ccccc2s1)N1CCC(c2ccsc2)CC1 ZINC000225622561 564150031 /nfs/dbraw/zinc/15/00/31/564150031.db2.gz UNGROAINFUJUAC-UHFFFAOYSA-N 0 0 327.474 4.983 50 0 EJAARN O=C(Nc1ccc(F)cc1)N1CCS[C@H]1c1ccccc1Cl ZINC000028232358 564150774 /nfs/dbraw/zinc/15/07/74/564150774.db2.gz GXKXQJSRHHYADO-HNNXBMFYSA-N 0 0 336.819 4.759 50 0 EJAARN C[C@@H](NC(=O)c1c(F)cccc1Cl)c1cccc(C(F)(F)F)c1 ZINC000028433321 564151072 /nfs/dbraw/zinc/15/10/72/564151072.db2.gz KNJCMHNBIJKTEY-SECBINFHSA-N 0 0 345.723 4.989 50 0 EJAARN Cc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3)o2)cc1C ZINC000002618535 564151164 /nfs/dbraw/zinc/15/11/64/564151164.db2.gz JMKLLYCASPYXHL-CQSZACIVSA-N 0 0 338.432 4.717 50 0 EJAARN Cc1nc2ccc(NC(=O)c3cc(C)nc4ccccc43)cc2s1 ZINC000002628367 564151387 /nfs/dbraw/zinc/15/13/87/564151387.db2.gz JNCZBMZCZQCUIG-UHFFFAOYSA-N 0 0 333.416 4.714 50 0 EJAARN Cc1nc2sc(-c3ccccc3)cc2c(NCc2ccncc2)n1 ZINC000002638820 564151616 /nfs/dbraw/zinc/15/16/16/564151616.db2.gz OQILYOPIEWTLGL-UHFFFAOYSA-N 0 0 332.432 4.674 50 0 EJAARN C[C@H]1CCc2c(sc3ncnc(OCc4ccccc4F)c32)C1 ZINC000002640077 564151664 /nfs/dbraw/zinc/15/16/64/564151664.db2.gz OMWXUUIDICARNA-NSHDSACASA-N 0 0 328.412 4.534 50 0 EJAARN CCC(CC)c1nnc(NC(=O)c2cccc(C(F)(F)F)c2)s1 ZINC000002656003 564151966 /nfs/dbraw/zinc/15/19/66/564151966.db2.gz QLANQNZACMUZJP-UHFFFAOYSA-N 0 0 343.374 4.713 50 0 EJAARN COc1cc(NC(=O)c2cccc(Oc3ccccc3)c2)cc(OC)c1 ZINC000002654864 564151969 /nfs/dbraw/zinc/15/19/69/564151969.db2.gz UHILVSUPTWZWKF-UHFFFAOYSA-N 0 0 349.386 4.748 50 0 EJAARN CCCCCNc1nc2c(-c3ccc(F)cc3)nnn2c2ccccc21 ZINC000002688983 564152145 /nfs/dbraw/zinc/15/21/45/564152145.db2.gz LTFZEPGYUJQUTD-UHFFFAOYSA-N 0 0 349.413 4.686 50 0 EJAARN C[C@@H](NC(=O)c1csc2c1CC[C@H](C(C)(C)C)C2)c1ccncc1 ZINC000002749591 564152425 /nfs/dbraw/zinc/15/24/25/564152425.db2.gz OJKKOMHCXGITHT-HIFRSBDPSA-N 0 0 342.508 4.785 50 0 EJAARN CC[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(C)cc1 ZINC000002764788 564152519 /nfs/dbraw/zinc/15/25/19/564152519.db2.gz LYXODEAGLWHZKF-QGZVFWFLSA-N 0 0 346.268 4.568 50 0 EJAARN Cc1ccc([C@@H]2C[C@@H](c3cccc4ccccc43)n3ncnc3N2)cc1 ZINC000002797221 564152721 /nfs/dbraw/zinc/15/27/21/564152721.db2.gz ASAXKNVZXXCIFJ-SFTDATJTSA-N 0 0 340.430 4.886 50 0 EJAARN CCCCn1c(=O)c2sccc2nc1SCc1ccccc1C ZINC000002909257 564153018 /nfs/dbraw/zinc/15/30/18/564153018.db2.gz AJPKJKBBBNCFTI-UHFFFAOYSA-N 0 0 344.505 4.859 50 0 EJAARN Cc1ccc([C@H]2CC(c3cccnc3)=Nc3nc4ccccc4n32)cc1 ZINC000002914853 564153040 /nfs/dbraw/zinc/15/30/40/564153040.db2.gz DVOXPFWFPRDRAF-OAQYLSRUSA-N 0 0 338.414 4.796 50 0 EJAARN CCCCCCNc1nc(Nc2ccc(Cl)cc2)nc(OCC)n1 ZINC000002924892 564153063 /nfs/dbraw/zinc/15/30/63/564153063.db2.gz CCIFPDDIEJEXTK-UHFFFAOYSA-N 0 0 349.866 4.660 50 0 EJAARN COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]3CC[C@@]4(C)C[C@@]3(CC4=O)CC[C@H]12 ZINC000002944466 564153163 /nfs/dbraw/zinc/15/31/63/564153163.db2.gz WWTGKEKQZGKXDC-UECOTWHESA-N 0 0 332.484 4.532 50 0 biogenic EJAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N[C@H](C)c1ccc(F)c(F)c1 ZINC000057293362 564153468 /nfs/dbraw/zinc/15/34/68/564153468.db2.gz BTVBIDFWUVAWBZ-DGCLKSJQSA-N 0 0 342.389 4.677 50 0 EJAARN CC(C)OCCCNc1ncnc2sc(-c3ccccc3)cc21 ZINC000057364330 564153757 /nfs/dbraw/zinc/15/37/57/564153757.db2.gz IXNRXKAFQAISIO-UHFFFAOYSA-N 0 0 327.453 4.585 50 0 EJAARN Cc1c(NC(=O)C2CCCC2)cccc1-c1nc2cccnc2s1 ZINC000002961561 564153794 /nfs/dbraw/zinc/15/37/94/564153794.db2.gz FPBJZSPSEBRWBS-UHFFFAOYSA-N 0 0 337.448 4.795 50 0 EJAARN O=C(Nc1ccc(Cl)cc1)c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC000057412588 564154126 /nfs/dbraw/zinc/15/41/26/564154126.db2.gz SBLVVLBDWWKCSW-UHFFFAOYSA-N 0 0 332.190 4.636 50 0 EJAARN Cc1cc(Cl)ccc1NC(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC000057412656 564154144 /nfs/dbraw/zinc/15/41/44/564154144.db2.gz WNFXYMVTWXBFAB-UHFFFAOYSA-N 0 0 346.217 4.944 50 0 EJAARN CCc1cccc(CC)c1NC(=S)N[C@H]1CCc2ccccc2C1 ZINC000057769439 564155751 /nfs/dbraw/zinc/15/57/51/564155751.db2.gz CZIIJYJLDXEMQO-IBGZPJMESA-N 0 0 338.520 4.655 50 0 EJAARN O=C(COc1ccccc1F)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000003203265 564155927 /nfs/dbraw/zinc/15/59/27/564155927.db2.gz ZWTALLNDPIIWOR-UHFFFAOYSA-N 0 0 347.695 4.515 50 0 EJAARN COCCNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1 ZINC000003212490 564156048 /nfs/dbraw/zinc/15/60/48/564156048.db2.gz HXLPUFYZXFYXRV-UHFFFAOYSA-N 0 0 341.347 4.528 50 0 EJAARN CC[C@@H](C)c1ccc(NC(=O)COC(=O)CCC2CCCC2)cc1 ZINC000003217135 564156080 /nfs/dbraw/zinc/15/60/80/564156080.db2.gz RPAOOTSPWBUINJ-OAHLLOKOSA-N 0 0 331.456 4.652 50 0 EJAARN O=C(OCc1csc(-c2ccccc2)n1)c1ccc(Cl)cc1 ZINC000003223747 564156232 /nfs/dbraw/zinc/15/62/32/564156232.db2.gz PILIPGVPKXVQNY-UHFFFAOYSA-N 0 0 329.808 4.821 50 0 EJAARN CCc1ccc(N(C(=O)c2ccccc2)C2=N[C@@H](CC)CS2)cc1 ZINC000003223753 564156239 /nfs/dbraw/zinc/15/62/39/564156239.db2.gz UZKULHMEGQTYGX-KRWDZBQOSA-N 0 0 338.476 4.777 50 0 EJAARN c1nnc(-c2ccc(COc3ccccc3-c3ccccc3)cc2)o1 ZINC000003256247 564156657 /nfs/dbraw/zinc/15/66/57/564156657.db2.gz SWODFQNDBWODBU-UHFFFAOYSA-N 0 0 328.371 4.983 50 0 EJAARN O=C(CCSc1ccccc1)OCc1nc2ccccc2s1 ZINC000003267279 564156791 /nfs/dbraw/zinc/15/67/91/564156791.db2.gz RPDGBNYDSHUHEV-UHFFFAOYSA-N 0 0 329.446 4.522 50 0 EJAARN COc1cc(OC)cc(C(=O)Nc2ccccc2Cc2ccccc2)c1 ZINC000003281593 564156885 /nfs/dbraw/zinc/15/68/85/564156885.db2.gz MRUYYXURZJZCTQ-UHFFFAOYSA-N 0 0 347.414 4.547 50 0 EJAARN CC(=O)c1c(C)[nH]c(C(=O)COc2cc(C)ccc2C(C)C)c1C ZINC000003290350 564157063 /nfs/dbraw/zinc/15/70/63/564157063.db2.gz YUGQMZZJUOGVLC-UHFFFAOYSA-N 0 0 327.424 4.528 50 0 EJAARN O=C(OCc1ccco1)c1ccc(-c2nc3ccccc3s2)s1 ZINC000003299577 564157158 /nfs/dbraw/zinc/15/71/58/564157158.db2.gz DFAAXUIGTDZJQA-UHFFFAOYSA-N 0 0 341.413 4.975 50 0 EJAARN O=C(CSCc1cccc(Cl)c1)N[C@H]1CCCc2ccccc21 ZINC000058014150 564157178 /nfs/dbraw/zinc/15/71/78/564157178.db2.gz TXOADUDLUXPDJQ-SFHVURJKSA-N 0 0 345.895 4.767 50 0 EJAARN O=C(NCCc1ccc(Cl)cc1Cl)c1cc2c(s1)CCC2 ZINC000003327036 564157362 /nfs/dbraw/zinc/15/73/62/564157362.db2.gz PPCGPQHJKDTVRO-UHFFFAOYSA-N 0 0 340.275 4.516 50 0 EJAARN CC(C)c1ccccc1NC(=S)NCCSCc1ccco1 ZINC000003331502 564157400 /nfs/dbraw/zinc/15/74/00/564157400.db2.gz IGGVCJCDAKXWHC-UHFFFAOYSA-N 0 0 334.510 4.623 50 0 EJAARN Cc1cc(C)c(C(=O)COc2cccc(Br)c2)cc1C ZINC000003347165 564157548 /nfs/dbraw/zinc/15/75/48/564157548.db2.gz RICZZKHBLIKPGA-UHFFFAOYSA-N 0 0 333.225 4.636 50 0 EJAARN CSc1ncccc1C(=O)Nc1ccccc1Cc1ccccc1 ZINC000003347497 564157572 /nfs/dbraw/zinc/15/75/72/564157572.db2.gz QMZIULZINCWBFX-UHFFFAOYSA-N 0 0 334.444 4.647 50 0 EJAARN O=C(Cc1ccsc1)Nc1nc(-c2ccc(Cl)s2)cs1 ZINC000003354400 564157628 /nfs/dbraw/zinc/15/76/28/564157628.db2.gz KIPJYAFNEQBNPM-UHFFFAOYSA-N 0 0 340.882 4.768 50 0 EJAARN Cc1nc2sc3c(c2c(Oc2cccc([C@@H](C)O)c2)n1)CCCC3 ZINC000058166698 564157895 /nfs/dbraw/zinc/15/78/95/564157895.db2.gz RWCQSHLMDPMILG-LLVKDONJSA-N 0 0 340.448 4.724 50 0 EJAARN Cc1ccc(C)c(C(=O)[C@H](C)Sc2nnc(-c3ccccc3)o2)c1 ZINC000003405436 564158012 /nfs/dbraw/zinc/15/80/12/564158012.db2.gz VDHKBJJEPHCMCP-AWEZNQCLSA-N 0 0 338.432 4.717 50 0 EJAARN Cc1ccc(C(=O)Nc2ccc(Br)cc2Cl)s1 ZINC000003422860 564158085 /nfs/dbraw/zinc/15/80/85/564158085.db2.gz DXTKPMQMCOMFLS-UHFFFAOYSA-N 0 0 330.634 4.725 50 0 EJAARN c1ccc2c(c1)nc(-c1cccnc1)nc2Oc1ccc2c(c1)CCC2 ZINC000003427432 564158110 /nfs/dbraw/zinc/15/81/10/564158110.db2.gz SBXGTRVMRUSTIC-UHFFFAOYSA-N 0 0 339.398 4.973 50 0 EJAARN CC(=O)c1ccc(OCCCC(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000003427695 564158121 /nfs/dbraw/zinc/15/81/21/564158121.db2.gz PODRLVAFEQCVKP-UHFFFAOYSA-N 0 0 345.826 4.649 50 0 EJAARN CCc1ccccc1NC(=O)CCC(=O)c1ccc(SC)cc1 ZINC000030998592 564158334 /nfs/dbraw/zinc/15/83/34/564158334.db2.gz SXNPQEUCTOLDHB-UHFFFAOYSA-N 0 0 327.449 4.573 50 0 EJAARN O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(OC(F)F)cc1 ZINC000003480780 564158373 /nfs/dbraw/zinc/15/83/73/564158373.db2.gz RWBGLMIHQVZXQT-UHFFFAOYSA-N 0 0 346.358 4.664 50 0 EJAARN CC[C@H]1c2ccsc2CCN1C(=O)Nc1nc2ccccc2s1 ZINC000031094995 564158753 /nfs/dbraw/zinc/15/87/53/564158753.db2.gz QWFSFIXPTKGGDI-ZDUSSCGKSA-N 0 0 343.477 4.899 50 0 EJAARN O=C(Cc1coc2cc3c(cc12)CCC3)N(Cc1ccccc1)C1CC1 ZINC000031097045 564158814 /nfs/dbraw/zinc/15/88/14/564158814.db2.gz ZFTYKIITXNDIDH-UHFFFAOYSA-N 0 0 345.442 4.655 50 0 EJAARN CCCc1ccc(-c2csc(NC(=O)c3c(C)noc3C)n2)cc1 ZINC000003533572 564158815 /nfs/dbraw/zinc/15/88/15/564158815.db2.gz KLHPSKOAKVMBHK-UHFFFAOYSA-N 0 0 341.436 4.620 50 0 EJAARN O=C(CC1CCCCC1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000031129234 564158954 /nfs/dbraw/zinc/15/89/54/564158954.db2.gz WZSXILNREQIKBK-MRXNPFEDSA-N 0 0 326.440 4.504 50 0 EJAARN O=C(Cc1ccccc1F)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000003615144 564159222 /nfs/dbraw/zinc/15/92/22/564159222.db2.gz PKSZUUNFHAHFGM-UHFFFAOYSA-N 0 0 331.696 4.679 50 0 EJAARN O=C(Nc1cccc(OCc2ccccn2)c1)c1ccc(Cl)cc1 ZINC000031456179 564159437 /nfs/dbraw/zinc/15/94/37/564159437.db2.gz FOCUAUVGBWWXAK-UHFFFAOYSA-N 0 0 338.794 4.566 50 0 EJAARN Cc1cc2cc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)ccc2[nH]1 ZINC000031721957 564159752 /nfs/dbraw/zinc/15/97/52/564159752.db2.gz HWMJFOFKBBECGQ-UHFFFAOYSA-N 0 0 342.464 4.511 50 0 EJAARN Cc1cccc(C)c1NC(=O)CSCCOc1ccc(Cl)cc1 ZINC000031734848 564159782 /nfs/dbraw/zinc/15/97/82/564159782.db2.gz TWKDEHQLMDSZJV-UHFFFAOYSA-N 0 0 349.883 4.708 50 0 EJAARN Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccccc1Cl ZINC000031872631 564160120 /nfs/dbraw/zinc/16/01/20/564160120.db2.gz QZAVTXQRGXYGPN-UHFFFAOYSA-N 0 0 330.746 4.695 50 0 EJAARN C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(Cl)C(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004026418 564160137 /nfs/dbraw/zinc/16/01/37/564160137.db2.gz AGUNEISBPXQOPA-FVKCKQMLSA-N 0 0 334.887 4.612 50 0 biogenic EJAARN Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1c(C)cc(C)cc1C ZINC000031872706 564160142 /nfs/dbraw/zinc/16/01/42/564160142.db2.gz QXTMJDKAVCHBCR-UHFFFAOYSA-N 0 0 338.382 4.967 50 0 EJAARN COc1cnc(-c2ccccc2)nc1Sc1ccccc1Cl ZINC000004060861 564160277 /nfs/dbraw/zinc/16/02/77/564160277.db2.gz OOTYJRFUEAHTIB-UHFFFAOYSA-N 0 0 328.824 4.957 50 0 EJAARN Cc1nc(NC(=O)c2ccc(F)cc2F)sc1-c1ccccc1 ZINC000031968359 564160337 /nfs/dbraw/zinc/16/03/37/564160337.db2.gz DBEKYJQTUNHNAM-UHFFFAOYSA-N 0 0 330.359 4.649 50 0 EJAARN CC(=O)O[C@@]1(C)CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004074041 564160347 /nfs/dbraw/zinc/16/03/47/564160347.db2.gz YKEIELWRIARSQU-RXTIWMTQSA-N 0 0 346.511 4.920 50 0 biogenic EJAARN CC(=O)C1=C(C)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004082191 564160415 /nfs/dbraw/zinc/16/04/15/564160415.db2.gz WYOKDIKHIXWWOC-YBHNGBFFSA-N 0 0 328.496 4.826 50 0 biogenic EJAARN CC(C)(C)C[C@@H](NC(=O)c1conc1-c1ccccc1)c1cccnc1 ZINC000670457204 564160456 /nfs/dbraw/zinc/16/04/56/564160456.db2.gz GAIDBLOHQZPYKZ-GOSISDBHSA-N 0 0 349.434 4.644 50 0 EJAARN COc1ccc(NC(=O)c2ccc3ncsc3c2)c2ccccc12 ZINC000004088460 564160468 /nfs/dbraw/zinc/16/04/68/564160468.db2.gz ZETZLUJLHDJMPO-UHFFFAOYSA-N 0 0 334.400 4.710 50 0 EJAARN O=C(/C=C/c1ccccc1)Nc1cccc(-c2nc3cnccc3o2)c1 ZINC000032070025 564160600 /nfs/dbraw/zinc/16/06/00/564160600.db2.gz NHTRIYPEJIJXIT-MDZDMXLPSA-N 0 0 341.370 4.542 50 0 EJAARN O=C(Nc1nc2c(cc3c4c(cccc24)CC3)s1)c1ccccc1F ZINC000004176254 564161016 /nfs/dbraw/zinc/16/10/16/564161016.db2.gz KVFLPSUHKYZXHN-UHFFFAOYSA-N 0 0 348.402 4.940 50 0 EJAARN Cc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)c(Cl)c1 ZINC000059271422 564161027 /nfs/dbraw/zinc/16/10/27/564161027.db2.gz KETCFJPHWXIHRJ-UHFFFAOYSA-N 0 0 346.217 4.740 50 0 EJAARN CC1(c2cccc(Cl)c2)CC[NH+](Cc2cccc(C(=O)[O-])c2)CC1 ZINC000263378177 564161275 /nfs/dbraw/zinc/16/12/75/564161275.db2.gz BBBVAOZVONQBQC-UHFFFAOYSA-N 0 0 343.854 4.592 50 0 EJAARN O=C(CCc1c[nH]c2ccccc12)Nc1ccc(-c2nccs2)cc1 ZINC000007985691 564161803 /nfs/dbraw/zinc/16/18/03/564161803.db2.gz BVBGTNGYECWHON-UHFFFAOYSA-N 0 0 347.443 4.863 50 0 EJAARN CN(Cc1ccc2ccccc2c1)C(=O)CCC(=O)c1ccc(F)cc1 ZINC000007989294 564161943 /nfs/dbraw/zinc/16/19/43/564161943.db2.gz ZDBQJHHVLNHOFL-UHFFFAOYSA-N 0 0 349.405 4.600 50 0 EJAARN O=C(NCc1ccncc1)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000007990294 564162005 /nfs/dbraw/zinc/16/20/05/564162005.db2.gz FQBHCSKPMPJZEQ-UHFFFAOYSA-N 0 0 347.201 4.578 50 0 EJAARN O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(Cl)cc1 ZINC000007995667 564162029 /nfs/dbraw/zinc/16/20/29/564162029.db2.gz INRYAGFAJUWMEV-UHFFFAOYSA-N 0 0 328.824 4.645 50 0 EJAARN CCCCc1ccc2nc(NC(=O)c3sc(C)nc3C)sc2c1 ZINC000007996300 564162052 /nfs/dbraw/zinc/16/20/52/564162052.db2.gz SWAQTIQVMAXTKE-UHFFFAOYSA-N 0 0 345.493 4.965 50 0 EJAARN O=C(c1ccccc1)c1ccc(OCc2nc3ccccc3o2)cc1 ZINC000008006847 564162084 /nfs/dbraw/zinc/16/20/84/564162084.db2.gz USPMNAVTCQYWGQ-UHFFFAOYSA-N 0 0 329.355 4.638 50 0 EJAARN Cc1ccc(NC(=O)c2ccc(OCc3cscn3)cc2)cc1C ZINC000008007328 564162094 /nfs/dbraw/zinc/16/20/94/564162094.db2.gz JYPMYOVTJMXBPQ-UHFFFAOYSA-N 0 0 338.432 4.591 50 0 EJAARN CC(C)[C@@H]([NH2+]C1CCC(C(=O)[O-])CC1)c1cccc(C(F)(F)F)c1 ZINC000263443945 564162202 /nfs/dbraw/zinc/16/22/02/564162202.db2.gz XHPKRLDFTODBJB-VDSRIPIWSA-N 0 0 343.389 4.636 50 0 EJAARN O=C([O-])C1CCC([NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000263495010 564162239 /nfs/dbraw/zinc/16/22/39/564162239.db2.gz SMZABZRJBJTFIT-NKELODKYSA-N 0 0 343.854 4.662 50 0 EJAARN c1ccc(-n2nc(SCc3nc4ccccc4o3)nc2C2CC2)cc1 ZINC000008039423 564162340 /nfs/dbraw/zinc/16/23/40/564162340.db2.gz FLONKTNSCVAWGA-UHFFFAOYSA-N 0 0 348.431 4.578 50 0 EJAARN O=C(NCc1cccc(C(F)(F)F)c1)c1cc(F)c(F)cc1Cl ZINC000008073234 564162518 /nfs/dbraw/zinc/16/25/18/564162518.db2.gz OXRDKRKZSIVTPV-UHFFFAOYSA-N 0 0 349.686 4.567 50 0 EJAARN CN(CC(=O)Nc1ccccc1Cl)Cc1ccc2ccccc2c1 ZINC000008127365 564162914 /nfs/dbraw/zinc/16/29/14/564162914.db2.gz DTEBLWMSMLPJMA-UHFFFAOYSA-N 0 0 338.838 4.564 50 0 EJAARN O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCc2ccccc21 ZINC000008132078 564163038 /nfs/dbraw/zinc/16/30/38/564163038.db2.gz GRCVPCXCJRZIOV-UHFFFAOYSA-N 0 0 340.382 4.698 50 0 EJAARN CC(=O)c1ccc(OCc2c(-c3ccccc3)nc3ccccn32)cc1 ZINC000008136380 564163109 /nfs/dbraw/zinc/16/31/09/564163109.db2.gz MPNXQYVTTDGQSN-UHFFFAOYSA-N 0 0 342.398 4.783 50 0 EJAARN Cc1ccc([C@H]2Nc3ccccc3C(=O)N2[C@@H](C)c2ccccc2)o1 ZINC000008160168 564163226 /nfs/dbraw/zinc/16/32/26/564163226.db2.gz NPBZZUSYPKCCOE-YWZLYKJASA-N 0 0 332.403 4.916 50 0 EJAARN Cc1cc(C)c2c3ccccc3n(CCNC(=O)C3CCCCC3)c2n1 ZINC000008169758 564163339 /nfs/dbraw/zinc/16/33/39/564163339.db2.gz USOLTUSWCJZSEG-UHFFFAOYSA-N 0 0 349.478 4.503 50 0 EJAARN CC[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC)cc2)N3)C1 ZINC000008198720 564163523 /nfs/dbraw/zinc/16/35/23/564163523.db2.gz NWAOKCROQCMFIR-GTNSWQLSSA-N 0 0 342.464 4.701 50 0 EJAARN C[C@H](CCc1ccco1)Nc1nc(-c2cccnc2)nc2ccccc21 ZINC000008205333 564163534 /nfs/dbraw/zinc/16/35/34/564163534.db2.gz UOSZIFSKTTVZKS-OAHLLOKOSA-N 0 0 344.418 4.718 50 0 EJAARN CC(C)c1ccc(OCC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 ZINC000008240609 564163755 /nfs/dbraw/zinc/16/37/55/564163755.db2.gz IRWAJLLMENDGCA-HNNXBMFYSA-N 0 0 337.419 4.812 50 0 EJAARN C[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1cc2ccccc2o1 ZINC000008237725 564163768 /nfs/dbraw/zinc/16/37/68/564163768.db2.gz LAESWTJMDOGXMR-GFCCVEGCSA-N 0 0 347.336 4.872 50 0 EJAARN c1nc(CSc2nnc(-c3ccccc3)o2)oc1-c1ccccc1 ZINC000008281699 564164019 /nfs/dbraw/zinc/16/40/19/564164019.db2.gz KSARYQYYGNUINJ-UHFFFAOYSA-N 0 0 335.388 4.684 50 0 EJAARN Cc1cc(-c2csc(CC(=O)Nc3ccc(C)cc3)n2)c(C)s1 ZINC000008295896 564164073 /nfs/dbraw/zinc/16/40/73/564164073.db2.gz MLFJPMBHEJIPBC-UHFFFAOYSA-N 0 0 342.489 4.978 50 0 EJAARN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(Cl)s1 ZINC000008311914 564164167 /nfs/dbraw/zinc/16/41/67/564164167.db2.gz DCAZRYDOJQERTB-UHFFFAOYSA-N 0 0 335.812 4.695 50 0 EJAARN O=C(Cc1ccccc1F)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000008316291 564164230 /nfs/dbraw/zinc/16/42/30/564164230.db2.gz OAWGDTDTSVSCEH-UHFFFAOYSA-N 0 0 343.785 4.598 50 0 EJAARN CC(C)COc1ccc(C(=O)N[C@H]2CCSc3ccccc32)cc1 ZINC000008315806 564164254 /nfs/dbraw/zinc/16/42/54/564164254.db2.gz JNZIJFRWXYEYPN-SFHVURJKSA-N 0 0 341.476 4.688 50 0 EJAARN CC1(C)CCC(C)(C)c2cc(CCCO)c(Br)cc21 ZINC000140308496 564164359 /nfs/dbraw/zinc/16/43/59/564164359.db2.gz DKAYTFCLIZOBOV-UHFFFAOYSA-N 0 0 325.290 4.723 50 0 EJAARN Cc1cc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c(C)o1 ZINC000008394394 564165058 /nfs/dbraw/zinc/16/50/58/564165058.db2.gz DAJHYMLSJBCKBB-UHFFFAOYSA-N 0 0 331.375 4.692 50 0 EJAARN Cc1ccc(C(=O)CCC(=O)OCc2cccc3ccccc32)s1 ZINC000008408949 564165159 /nfs/dbraw/zinc/16/51/59/564165159.db2.gz UCIRCPIQJSHLJB-UHFFFAOYSA-N 0 0 338.428 4.916 50 0 EJAARN C[C@@H](c1ccccc1)N(C)C(=O)c1csc(-c2ccc(F)cc2)n1 ZINC000008404817 564165173 /nfs/dbraw/zinc/16/51/73/564165173.db2.gz INAYKFQHGRYLIV-ZDUSSCGKSA-N 0 0 340.423 4.782 50 0 EJAARN Cc1nc(SCc2cc3ccccc3nc2Cl)nc(C)c1C ZINC000008574430 564165806 /nfs/dbraw/zinc/16/58/06/564165806.db2.gz JFDGDPVSAGKLKZ-UHFFFAOYSA-N 0 0 329.856 4.896 50 0 EJAARN C[C@@H](Nc1ncnc2c1cnn2-c1cccc(Cl)c1)c1ccccc1 ZINC000008583054 564165836 /nfs/dbraw/zinc/16/58/36/564165836.db2.gz QTLPEXDDJSVWCZ-CYBMUJFWSA-N 0 0 349.825 4.642 50 0 EJAARN Cc1ccc(-n2ncc3c2ncnc3NC2CCCCC2)cc1Cl ZINC000008583076 564165847 /nfs/dbraw/zinc/16/58/47/564165847.db2.gz XFCVIQCBBFYBJC-UHFFFAOYSA-N 0 0 341.846 4.522 50 0 EJAARN O=C(Nc1ccccc1C(F)(F)F)n1ncc2cc(Cl)ccc21 ZINC000008587634 564165924 /nfs/dbraw/zinc/16/59/24/564165924.db2.gz MTKOOTJJYGMUEU-UHFFFAOYSA-N 0 0 339.704 4.789 50 0 EJAARN Clc1cccc(-c2noc3ncnc(NC4CCCCC4)c23)c1 ZINC000008603548 564166023 /nfs/dbraw/zinc/16/60/23/564166023.db2.gz FDDZLCPFDLLVRP-UHFFFAOYSA-N 0 0 328.803 4.683 50 0 EJAARN C[C@@H](NC(=O)c1sc2ncccc2c1-n1cccc1)c1ccccc1 ZINC000008610691 564166057 /nfs/dbraw/zinc/16/60/57/564166057.db2.gz TWQGRZGVDKDURX-CQSZACIVSA-N 0 0 347.443 4.578 50 0 EJAARN O=C(c1cccc(Cl)c1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000008673515 564166248 /nfs/dbraw/zinc/16/62/48/564166248.db2.gz YUEJILPQLDJURR-UHFFFAOYSA-N 0 0 340.810 4.501 50 0 EJAARN C[C@H]1CCCC[C@H]1NC(=S)Nc1ccc(SC(F)F)cc1 ZINC000008687108 564166314 /nfs/dbraw/zinc/16/63/14/564166314.db2.gz ORCDWZCHRCYHIM-GXFFZTMASA-N 0 0 330.469 4.866 50 0 EJAARN Cc1ccc(NC(=O)[C@H](C)Sc2ccc(C(F)(F)F)cn2)cc1 ZINC000008704554 564166406 /nfs/dbraw/zinc/16/64/06/564166406.db2.gz DFKLHBOAWQHISU-NSHDSACASA-N 0 0 340.370 4.528 50 0 EJAARN CC(=O)N[C@@H]1C[C@H](C(C)C)O[C@H](c2[nH]c3ccc(Cl)cc3c2C)C1 ZINC000067804262 564166941 /nfs/dbraw/zinc/16/69/41/564166941.db2.gz PYWMEOGSAOVNAV-OLMNPRSZSA-N 0 0 348.874 4.511 50 0 EJAARN O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(Cl)cc1 ZINC000008734150 564167088 /nfs/dbraw/zinc/16/70/88/564167088.db2.gz PWAXXZULQYYEJE-UHFFFAOYSA-N 0 0 344.773 4.705 50 0 EJAARN ClC1(Cl)C[C@H]1Cn1c(Cc2cccs2)nc2ccccc21 ZINC000008786976 564167431 /nfs/dbraw/zinc/16/74/31/564167431.db2.gz NRZCAKOEPMUCAR-NSHDSACASA-N 0 0 337.275 4.882 50 0 EJAARN CC[C@H]1c2ccsc2CCN1C(=O)Nc1cc(C)nn1C(C)(C)C ZINC000068607190 564167621 /nfs/dbraw/zinc/16/76/21/564167621.db2.gz VSNHRVVZCXACNF-AWEZNQCLSA-N 0 0 346.500 4.549 50 0 EJAARN Cc1nc(C)c(C(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)o1 ZINC000172736548 564167717 /nfs/dbraw/zinc/16/77/17/564167717.db2.gz QPZNCSHATZUWCW-ZDUSSCGKSA-N 0 0 335.407 4.717 50 0 EJAARN CSc1ccc(CN(C)C(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000040095814 564168019 /nfs/dbraw/zinc/16/80/19/564168019.db2.gz CRGAKZSLSPGUQT-UHFFFAOYSA-N 0 0 328.481 4.998 50 0 EJAARN CCCCCNC(=O)Cc1csc(SCc2ccc(C)cc2)n1 ZINC000008936401 564168060 /nfs/dbraw/zinc/16/80/60/564168060.db2.gz DRKNGZLXMYXDDF-UHFFFAOYSA-N 0 0 348.537 4.593 50 0 EJAARN Cc1c2cccc(F)c2oc1C(=O)N1CCC[C@H]1c1ccsc1 ZINC000040107754 564168067 /nfs/dbraw/zinc/16/80/67/564168067.db2.gz BVMJKLNICAIIGZ-HNNXBMFYSA-N 0 0 329.396 4.919 50 0 EJAARN CC(=O)c1ccccc1NC(=O)c1cccnc1SC1CCCC1 ZINC000040156645 564168432 /nfs/dbraw/zinc/16/84/32/564168432.db2.gz NMLGSRJHTYZFCI-UHFFFAOYSA-N 0 0 340.448 4.571 50 0 EJAARN Cc1c(-c2ccccc2)nn2c1nc(C)cc2NCCc1ccccc1 ZINC000040216601 564168527 /nfs/dbraw/zinc/16/85/27/564168527.db2.gz SYIQAVINRUJLOJ-UHFFFAOYSA-N 0 0 342.446 4.668 50 0 EJAARN O=[S@](Cc1coc(-c2cccs2)n1)Cc1ccccc1Cl ZINC000069485594 564169792 /nfs/dbraw/zinc/16/97/92/564169792.db2.gz SRUZZVUZSVIRIL-OAQYLSRUSA-N 0 0 337.853 4.505 50 0 EJAARN C[C@@H](N[C@@H](C)c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000069514815 564170041 /nfs/dbraw/zinc/17/00/41/564170041.db2.gz VSAZFLLOXDCXET-OLZOCXBDSA-N 0 0 327.815 4.802 50 0 EJAARN COc1ccc(C(C)=O)cc1CSc1nc2cc(Cl)ccc2[nH]1 ZINC000009155205 564170623 /nfs/dbraw/zinc/17/06/23/564170623.db2.gz CSKDUBATPJUXEE-UHFFFAOYSA-N 0 0 346.839 4.720 50 0 EJAARN Cn1c(SCc2ccccc2)nnc1-c1ccc2c(c1)CCCC2 ZINC000009193283 564171122 /nfs/dbraw/zinc/17/11/22/564171122.db2.gz RUVGYNSEWPPVPH-UHFFFAOYSA-N 0 0 335.476 4.653 50 0 EJAARN Cc1ccc(-c2nc3nc(C)cc(Nc4cccc(Cl)c4)n3n2)cc1 ZINC000009207053 564171157 /nfs/dbraw/zinc/17/11/57/564171157.db2.gz MYYRDXBPMWIXCC-UHFFFAOYSA-N 0 0 349.825 4.805 50 0 EJAARN CC(=O)Nc1ccc2nc(SCc3ccc(C)cc3)sc2c1 ZINC000009251029 564171891 /nfs/dbraw/zinc/17/18/91/564171891.db2.gz QHBQCPOFMICKHM-UHFFFAOYSA-N 0 0 328.462 4.855 50 0 EJAARN COc1ccccc1N[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000009315320 564172558 /nfs/dbraw/zinc/17/25/58/564172558.db2.gz PKJNRHZWDNSASK-MRXNPFEDSA-N 0 0 346.430 4.801 50 0 EJAARN COCc1c2ccccc2oc1C(=O)N[C@H](c1cccs1)C1CC1 ZINC000009364694 564172960 /nfs/dbraw/zinc/17/29/60/564172960.db2.gz JZVMUCWSJYCIMQ-KRWDZBQOSA-N 0 0 341.432 4.522 50 0 EJAARN Clc1ccc(C2=N[C@H]3N=C(c4ccccc4)S[C@H]3S2)cc1 ZINC000041097526 564173186 /nfs/dbraw/zinc/17/31/86/564173186.db2.gz APJAYBKWRXQIPW-CJNGLKHVSA-N 0 0 330.865 4.679 50 0 EJAARN Cc1ccccc1[C@H]1CCCN1C(=O)Nc1cnc2ccccc2c1 ZINC000070006369 564173211 /nfs/dbraw/zinc/17/32/11/564173211.db2.gz MIIRRDDFGVXVMY-HXUWFJFHSA-N 0 0 331.419 4.912 50 0 EJAARN c1ccc(CNc2nc3ccccc3c(N3CCCCCC3)n2)cc1 ZINC000041149424 564173519 /nfs/dbraw/zinc/17/35/19/564173519.db2.gz BQORVVPAWSUJFY-UHFFFAOYSA-N 0 0 332.451 4.622 50 0 EJAARN CCc1ccc(O[C@H](C)C(=O)Nc2ccc(C)c3ncccc23)cc1 ZINC000041157628 564173614 /nfs/dbraw/zinc/17/36/14/564173614.db2.gz SEWSMGAYZHEIMZ-OAHLLOKOSA-N 0 0 334.419 4.512 50 0 EJAARN CCCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)CC ZINC000009418406 564173654 /nfs/dbraw/zinc/17/36/54/564173654.db2.gz UWTRKBKVFQCCCG-UHFFFAOYSA-N 0 0 338.455 4.797 50 0 EJAARN C[C@H](Nc1ccccc1)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000009468863 564173839 /nfs/dbraw/zinc/17/38/39/564173839.db2.gz VZXMYHVQMBNJPV-ZDUSSCGKSA-N 0 0 347.443 4.825 50 0 EJAARN CC(=O)N1N=C(c2cccc(Cl)c2Cl)O[C@H]1c1cccc(C)c1 ZINC000009586990 564174240 /nfs/dbraw/zinc/17/42/40/564174240.db2.gz ADXHYXAJDYAKQX-KRWDZBQOSA-N 0 0 349.217 4.541 50 0 EJAARN CC(C)n1ccc2c1cccc2NC(=O)c1ccc2ccn(C)c2c1 ZINC000070666607 564174274 /nfs/dbraw/zinc/17/42/74/564174274.db2.gz AQEPHHJBVNDUTQ-UHFFFAOYSA-N 0 0 331.419 4.966 50 0 biogenic EJAARN COc1ccc2cc(CNC(=O)c3cc(C)n(C4CC4)c3C)ccc2c1 ZINC000009942187 564174892 /nfs/dbraw/zinc/17/48/92/564174892.db2.gz RYULZYVSDFBXPL-UHFFFAOYSA-N 0 0 348.446 4.532 50 0 EJAARN COc1ccccc1NC(=O)N(C1=NCCC1)c1ccc(C)c(C)c1 ZINC000010165964 564175100 /nfs/dbraw/zinc/17/51/00/564175100.db2.gz LCDNJIXLVHNBSH-UHFFFAOYSA-N 0 0 337.423 4.543 50 0 EJAARN CN(CCc1ccccc1)C(=O)Cc1coc2ccc3ccccc3c12 ZINC000071800752 564175500 /nfs/dbraw/zinc/17/55/00/564175500.db2.gz LQONOODFENWGLV-UHFFFAOYSA-N 0 0 343.426 4.830 50 0 EJAARN Cc1cccc(C)c1NC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000010388102 564175574 /nfs/dbraw/zinc/17/55/74/564175574.db2.gz RTMGWUGDLGCZHG-UHFFFAOYSA-N 0 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OOYIKBVROORZNQ-UHFFFAOYSA-N 0 0 326.465 4.602 50 0 EJAARN CN(Cc1ccccn1)C(=O)N1c2ccccc2Sc2ccccc21 ZINC000013574380 568421564 /nfs/dbraw/zinc/42/15/64/568421564.db2.gz XGRGSCJCTGCHNO-UHFFFAOYSA-N 0 0 347.443 4.936 50 0 EJAARN O=C(C[C@H](c1ccccc1)n1cccc1)Nc1cccc2cccnc21 ZINC000253410700 568422873 /nfs/dbraw/zinc/42/28/73/568422873.db2.gz NPMAHQWXSDDPAY-HXUWFJFHSA-N 0 0 341.414 4.655 50 0 EJAARN CCn1c(SCc2ccccc2Cl)nnc1-c1ccccc1 ZINC000050608755 214060237 /nfs/dbraw/zinc/06/02/37/214060237.db2.gz OWVGBDJHMNQRGT-UHFFFAOYSA-N 0 0 329.856 4.911 50 0 EJAARN COc1ccc(-c2nc3ncccn3c2Nc2ccc(C)cc2C)cc1 ZINC000004734329 210264414 /nfs/dbraw/zinc/26/44/14/210264414.db2.gz UOFBTKYOBUUZPZ-UHFFFAOYSA-N 0 0 344.418 4.765 50 0 EJAARN CCCCc1ccc(NC(=O)c2cc(-c3cccc(OC)c3)[nH]n2)cc1 ZINC000051315585 214087514 /nfs/dbraw/zinc/08/75/14/214087514.db2.gz ZPSQQTPYTKYTOT-UHFFFAOYSA-N 0 0 349.434 4.680 50 0 EJAARN CCCCOC(=O)c1ccc(NC(=O)Nc2cc(F)ccc2F)cc1 ZINC000051354419 214089558 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219107128 /nfs/dbraw/zinc/10/71/28/219107128.db2.gz SBVVOVWZPCWUFC-DQRAZIAOSA-N 0 0 344.439 4.648 50 0 EJAARN Cc1ccc(-c2cncc(C(=O)NCc3ccc(Cl)cc3)c2)cc1 ZINC000064568268 214793930 /nfs/dbraw/zinc/79/39/30/214793930.db2.gz JOQPVSLLSMUPQO-UHFFFAOYSA-N 0 0 336.822 4.640 50 0 EJAARN Cc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3F)cs2)s1 ZINC000064676445 214799705 /nfs/dbraw/zinc/79/97/05/214799705.db2.gz WMORAOJKCVUCOM-UHFFFAOYSA-N 0 0 336.388 4.711 50 0 EJAARN Cc1ccc(-c2nc(C(=O)Nc3ccc(F)c(F)c3)cs2)s1 ZINC000064676503 214799756 /nfs/dbraw/zinc/79/97/56/214799756.db2.gz JWDPBKRZAYBHCL-UHFFFAOYSA-N 0 0 336.388 4.711 50 0 EJAARN COc1ccc2c(c1)CC[C@@H]1C2=NN(C)[C@H]1c1ccc(C(C)C)cc1 ZINC000004389086 210186549 /nfs/dbraw/zinc/18/65/49/210186549.db2.gz IRIXLCSAIUEHPF-IRLDBZIGSA-N 0 0 334.463 4.772 50 0 EJAARN CC[C@H](O)c1nc2ccccc2n1CCCCOc1ccccc1C ZINC000004386181 210184497 /nfs/dbraw/zinc/18/44/97/210184497.db2.gz FOKHJEKGWOLCML-IBGZPJMESA-N 0 0 338.451 4.647 50 0 EJAARN CC[C@@H](O)c1nc2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000004386176 210184613 /nfs/dbraw/zinc/18/46/13/210184613.db2.gz ORTDLMLFJLPOFV-MRXNPFEDSA-N 0 0 335.234 4.835 50 0 EJAARN Cc1cccc(NC(=O)c2cnc(Cl)cc2C(F)(F)F)c1C ZINC000004382942 210184078 /nfs/dbraw/zinc/18/40/78/210184078.db2.gz BFYKOBFNJCDCEG-UHFFFAOYSA-N 0 0 328.721 4.623 50 0 EJAARN Cc1cccc(CSCCNC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000004363636 210180703 /nfs/dbraw/zinc/18/07/03/210180703.db2.gz YPBGWOIYLVRDGO-UHFFFAOYSA-N 0 0 341.520 4.956 50 0 EJAARN Cc1nnc(SCc2cccc(C(F)(F)F)c2)n1-c1ccccc1 ZINC000004354885 210179367 /nfs/dbraw/zinc/17/93/67/210179367.db2.gz XNCVGYIKWYXFSF-UHFFFAOYSA-N 0 0 349.381 4.887 50 0 EJAARN CCC1(CC)O[C@@H](c2cccc(OC)c2OC)Nc2ccccc21 ZINC000004358216 210178612 /nfs/dbraw/zinc/17/86/12/210178612.db2.gz XUOXNNSVEBZFJJ-IBGZPJMESA-N 0 0 327.424 4.860 50 0 EJAARN CC[C@H](O)c1nc2ccccc2n1CCCOc1c(C)cccc1C ZINC000007548928 201723357 /nfs/dbraw/zinc/72/33/57/201723357.db2.gz UEVGZCWTRVICBW-IBGZPJMESA-N 0 0 338.451 4.566 50 0 EJAARN CCCc1cc([C@H]2CCCN2C(=O)Nc2cc(Cl)ccc2C)no1 ZINC000064984707 214820376 /nfs/dbraw/zinc/82/03/76/214820376.db2.gz KGNVQMUGXXILON-QGZVFWFLSA-N 0 0 347.846 4.958 50 0 EJAARN CC(C)c1cc([C@H]2CCCN2C(=O)Nc2ccccc2Cl)no1 ZINC000064984816 214820473 /nfs/dbraw/zinc/82/04/73/214820473.db2.gz JPPRQCBOZPZBKK-OAHLLOKOSA-N 0 0 333.819 4.820 50 0 EJAARN CC(C)c1cc([C@@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)on1 ZINC000064985004 214821603 /nfs/dbraw/zinc/82/16/03/214821603.db2.gz IQIYDKKYXBQKKM-HNNXBMFYSA-N 0 0 333.819 4.820 50 0 EJAARN CCOc1ccc(NC(=O)N2CCC[C@H]2c2cc(C(C)C)no2)cc1 ZINC000064984992 214821629 /nfs/dbraw/zinc/82/16/29/214821629.db2.gz SGRPYAWFSOOART-KRWDZBQOSA-N 0 0 343.427 4.566 50 0 EJAARN CCC(=O)Nc1c2ccccc2oc1C(=O)Nc1ccc(CC)cc1 ZINC000004341955 210176032 /nfs/dbraw/zinc/17/60/32/210176032.db2.gz VVWTZILSKLMLIK-UHFFFAOYSA-N 0 0 336.391 4.596 50 0 EJAARN Cc1nc(-c2cccc(C)c2)sc1CCNC(=O)C1CCCCC1 ZINC000004338430 210175051 /nfs/dbraw/zinc/17/50/51/210175051.db2.gz HRYLEXJEMFRJPD-UHFFFAOYSA-N 0 0 342.508 4.666 50 0 EJAARN COC(=O)c1cc(Nc2ccc(C)c(Cl)c2)c2cc(F)ccc2n1 ZINC000065033596 214824213 /nfs/dbraw/zinc/82/42/13/214824213.db2.gz AOEALEBBBFTHEW-UHFFFAOYSA-N 0 0 344.773 4.866 50 0 EJAARN COC(=O)c1cc(Nc2cccc(F)c2)c2cccc(Cl)c2n1 ZINC000065033718 214824583 /nfs/dbraw/zinc/82/45/83/214824583.db2.gz CSMDDRRVPOHMCK-UHFFFAOYSA-N 0 0 330.746 4.558 50 0 EJAARN COc1ccc(C)c2sc(NC(=O)c3ccc(Cl)cc3)nc21 ZINC000004330782 210173359 /nfs/dbraw/zinc/17/33/59/210173359.db2.gz AZGUGMCYCOHGJX-UHFFFAOYSA-N 0 0 332.812 4.519 50 0 EJAARN Cc1nc2cc(-c3noc(-c4cc(Cl)ccc4F)n3)ccc2o1 ZINC000065149639 214833681 /nfs/dbraw/zinc/83/36/81/214833681.db2.gz ZJZZMAKPZFTPEC-UHFFFAOYSA-N 0 0 329.718 4.646 50 0 EJAARN CC[C@H](C)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000004320232 210170898 /nfs/dbraw/zinc/17/08/98/210170898.db2.gz DCVJWVCDQNLFAZ-IRXDYDNUSA-N 0 0 347.462 4.603 50 0 EJAARN O=C(Nc1c2c(nc3ccccc31)CCC2)C12CC3CC(CC(C3)C1)C2 ZINC000004321171 210169826 /nfs/dbraw/zinc/16/98/26/210169826.db2.gz YWLGGWINNWZEGA-UHFFFAOYSA-N 0 0 346.474 4.878 50 0 EJAARN O=C(Oc1cccc2cccnc21)c1ccc2c3c(cccc31)CC2 ZINC000004309860 210166646 /nfs/dbraw/zinc/16/66/46/210166646.db2.gz DDPRSEQKNAGHRZ-UHFFFAOYSA-N 0 0 325.367 4.706 50 0 EJAARN Cc1cccc(OCc2nc(-c3ccc4ncn(C(C)C)c4c3)no2)c1 ZINC000065240647 214849490 /nfs/dbraw/zinc/84/94/90/214849490.db2.gz GTRKECOZXOACEJ-UHFFFAOYSA-N 0 0 348.406 4.555 50 0 EJAARN Cc1nc(COc2ccccc2C(=O)Nc2ccc(C)cc2)cs1 ZINC000007918648 201731952 /nfs/dbraw/zinc/73/19/52/201731952.db2.gz FMLBTZHDZCSKOC-UHFFFAOYSA-N 0 0 338.432 4.591 50 0 EJAARN Fc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)cc1 ZINC000004282029 210161484 /nfs/dbraw/zinc/16/14/84/210161484.db2.gz VIBQLOPNPYCJJC-PXNSSMCTSA-N 0 0 334.350 4.661 50 0 EJAARN c1ccc2c(c1)nc(N1CCCC1)nc2NC12CC3CC(CC(C3)C1)C2 ZINC000004269407 210157422 /nfs/dbraw/zinc/15/74/22/210157422.db2.gz IMXFJCAIOFAXLN-UHFFFAOYSA-N 0 0 348.494 4.611 50 0 EJAARN Cc1ccc2cccc(OC(=O)Cc3c(Cl)cccc3Cl)c2n1 ZINC000008429542 201749044 /nfs/dbraw/zinc/74/90/44/201749044.db2.gz XZUZJUUNOZBNEV-UHFFFAOYSA-N 0 0 346.213 4.998 50 0 EJAARN Cc1csc2nc(-c3cccc(NC(=O)C4CCCCC4)c3)cn12 ZINC000004249066 210152390 /nfs/dbraw/zinc/15/23/90/210152390.db2.gz MDZXIMQJKFSOAG-UHFFFAOYSA-N 0 0 339.464 4.890 50 0 EJAARN O=C(c1ccco1)N1N=C(c2cccs2)C[C@@H]1c1ccc(Cl)o1 ZINC000004248221 210151582 /nfs/dbraw/zinc/15/15/82/210151582.db2.gz GRJHSQHPDUUODZ-LLVKDONJSA-N 0 0 346.795 4.579 50 0 EJAARN CC(=O)Nc1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000008555329 201752324 /nfs/dbraw/zinc/75/23/24/201752324.db2.gz GAEJOVJTPBOXAS-UHFFFAOYSA-N 0 0 345.807 4.732 50 0 EJAARN Cc1[nH]n(C2CCCC2)c2nc(-c3ccc([C@@H]4CCCCO4)o3)nc1-2 ZINC000065387813 214885399 /nfs/dbraw/zinc/88/53/99/214885399.db2.gz GYXAOIDLDUFBPA-AWEZNQCLSA-N 0 0 340.427 4.685 50 0 EJAARN O=C(Nc1ccc(Cl)cc1)OCCSc1nc2ccccc2o1 ZINC000008716944 201757813 /nfs/dbraw/zinc/75/78/13/201757813.db2.gz AJGFGCOFIHCWBP-UHFFFAOYSA-N 0 0 348.811 4.822 50 0 EJAARN O=C(CCc1cccs1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000009217507 201770171 /nfs/dbraw/zinc/77/01/71/201770171.db2.gz IKTOLGBJLHMGMR-HNNXBMFYSA-N 0 0 342.489 4.654 50 0 EJAARN CCCCCCC(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000004189271 210142521 /nfs/dbraw/zinc/14/25/21/210142521.db2.gz QFPHJNORNSVTGI-UHFFFAOYSA-N 0 0 337.876 4.691 50 0 EJAARN Cc1csc(N2N=C(c3cccs3)C[C@H]2c2ccccc2)n1 ZINC000009305701 201773968 /nfs/dbraw/zinc/77/39/68/201773968.db2.gz FSYDEUXWXUTLNM-HNNXBMFYSA-N 0 0 325.462 4.869 50 0 EJAARN CCS[C@@H]1c2ccccc2C(=O)N1[C@@H](C)CCc1ccccc1 ZINC000009425633 201777804 /nfs/dbraw/zinc/77/78/04/201777804.db2.gz DRHRJCGGYNUMQG-MGPUTAFESA-N 0 0 325.477 4.915 50 0 EJAARN CCOC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C1CC1 ZINC000047818677 213869261 /nfs/dbraw/zinc/86/92/61/213869261.db2.gz LCBWCDNDUBMBBY-UHFFFAOYSA-N 0 0 326.179 4.703 50 0 EJAARN O=C(Nc1noc2ccccc21)c1cc2c(s1)-c1ccccc1CC2 ZINC000009667593 201785243 /nfs/dbraw/zinc/78/52/43/201785243.db2.gz WJORGFUSYHQLBT-UHFFFAOYSA-N 0 0 346.411 4.907 50 0 EJAARN CCc1ccc(CN(C)C(=O)Nc2nc3ccccc3s2)cc1 ZINC000009710626 201785746 /nfs/dbraw/zinc/78/57/46/201785746.db2.gz NDVUSCUVONAHHX-UHFFFAOYSA-N 0 0 325.437 4.523 50 0 EJAARN CCc1ccccc1NC(=O)NCc1cccn1Cc1cccc(C)c1 ZINC000009722124 201786744 /nfs/dbraw/zinc/78/67/44/201786744.db2.gz JPYIUWZAGHWERO-UHFFFAOYSA-N 0 0 347.462 4.729 50 0 EJAARN O=C1Nc2cc(Cl)ccc2[C@H]1Cc1ccccc1OC(F)(F)F ZINC000101659883 219152917 /nfs/dbraw/zinc/15/29/17/219152917.db2.gz QYJSUNOPAMAXKU-GFCCVEGCSA-N 0 0 341.716 4.517 50 0 EJAARN O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)C1CCCCC1 ZINC000004159820 210134896 /nfs/dbraw/zinc/13/48/96/210134896.db2.gz WMKIUDRLWIDNML-UHFFFAOYSA-N 0 0 334.872 4.906 50 0 EJAARN O=C(Nc1ccccc1Cl)N1CCC(OCc2ccccc2)CC1 ZINC000065496283 214933996 /nfs/dbraw/zinc/93/39/96/214933996.db2.gz ZHAUCJBAUVABCY-UHFFFAOYSA-N 0 0 344.842 4.553 50 0 EJAARN Cc1cccc(-c2c(-c3ccccc3)ncn2CCc2ccccn2)n1 ZINC000065525970 214946917 /nfs/dbraw/zinc/94/69/17/214946917.db2.gz JMXYBKJYDFGHTB-UHFFFAOYSA-N 0 0 340.430 4.558 50 0 EJAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)C(C)(C)C ZINC000012067074 201823215 /nfs/dbraw/zinc/82/32/15/201823215.db2.gz BHGFTRAIYUBMMM-UHFFFAOYSA-N 0 0 347.462 4.544 50 0 EJAARN CCCn1c2ccccc2nc1SCCOc1ccccc1C ZINC000012062271 201823875 /nfs/dbraw/zinc/82/38/75/201823875.db2.gz TVDGGZCLJRSCIK-UHFFFAOYSA-N 0 0 326.465 4.926 50 0 EJAARN CC(C)Oc1ccc(NC(=O)[C@@H](Cc2ccccc2)n2cccc2)cc1 ZINC000012138151 201827608 /nfs/dbraw/zinc/82/76/08/201827608.db2.gz IRKJJCLFPNMDEF-OAQYLSRUSA-N 0 0 348.446 4.698 50 0 EJAARN COc1ccc(OC)c(Nc2nc(-c3sc(C)nc3C)cs2)c1 ZINC000004123328 210125854 /nfs/dbraw/zinc/12/58/54/210125854.db2.gz UZPBLLFTUZJQMD-UHFFFAOYSA-N 0 0 347.465 4.644 50 0 EJAARN CC(=O)Nc1nc(C)c(-c2csc(Nc3cccc(C)c3)n2)s1 ZINC000004116990 210123091 /nfs/dbraw/zinc/12/30/91/210123091.db2.gz RPXNPBQNHWJSPC-UHFFFAOYSA-N 0 0 344.465 4.585 50 0 EJAARN Cc1noc(C)c1COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC000012798380 201869355 /nfs/dbraw/zinc/86/93/55/201869355.db2.gz RVTKTHPTVDBICT-UHFFFAOYSA-N 0 0 341.794 4.755 50 0 EJAARN CC(=O)N1CCc2cc(-c3nc(-c4ccccc4)sc3C)ccc21 ZINC000012845927 201869788 /nfs/dbraw/zinc/86/97/88/201869788.db2.gz DDMXGTTYCDGTEY-UHFFFAOYSA-N 0 0 334.444 4.695 50 0 EJAARN CC(C)(C)C(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC000004071242 210113440 /nfs/dbraw/zinc/11/34/40/210113440.db2.gz YNSUBNJKGLTLLL-UHFFFAOYSA-N 0 0 326.421 4.654 50 0 EJAARN O=C(Nc1nc2ccc3ccccc3c2s1)c1c(F)cccc1F ZINC000004071282 210113565 /nfs/dbraw/zinc/11/35/65/210113565.db2.gz LQVVFOGICZXLMG-UHFFFAOYSA-N 0 0 340.354 4.980 50 0 EJAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(Cl)c1 ZINC000012942378 201877842 /nfs/dbraw/zinc/87/78/42/201877842.db2.gz XHJNWDYDWLFLTJ-NSHDSACASA-N 0 0 330.840 4.783 50 0 EJAARN O=C(Nc1nnc(-c2ccc(F)cc2)s1)c1cccc2ccccc21 ZINC000004072297 210112742 /nfs/dbraw/zinc/11/27/42/210112742.db2.gz MDEIVSJRVHUNKG-UHFFFAOYSA-N 0 0 349.390 4.750 50 0 EJAARN CCc1ccccc1NC(=O)c1ccc(C(=O)c2ccccc2)cc1 ZINC000004078612 210115001 /nfs/dbraw/zinc/11/50/01/210115001.db2.gz CQTMYNJMSKODSD-UHFFFAOYSA-N 0 0 329.399 4.732 50 0 EJAARN Cc1cc(C)c(-c2nnc(NC(=O)c3ccccc3C)s2)c(C)c1 ZINC000004070351 210111615 /nfs/dbraw/zinc/11/16/15/210111615.db2.gz APFVSQDDISXVHZ-UHFFFAOYSA-N 0 0 337.448 4.691 50 0 EJAARN Cc1ccc([C@H]2c3cccn3CCN2C(=S)Nc2ccccc2)cc1 ZINC000004059441 210110856 /nfs/dbraw/zinc/11/08/56/210110856.db2.gz FTNYFPBHMLNLPX-FQEVSTJZSA-N 0 0 347.487 4.599 50 0 EJAARN CC(C)(C)OC(=O)N1CCC(Nc2ccc(Cl)cc2Cl)CC1 ZINC000004060853 210109805 /nfs/dbraw/zinc/10/98/05/210109805.db2.gz OOWJSIJPXPSSKP-UHFFFAOYSA-N 0 0 345.270 4.805 50 0 EJAARN CC(C)(C)c1ccc(NC[C@](C)(O)COc2ccc(Cl)cc2)cc1 ZINC000004054634 210109361 /nfs/dbraw/zinc/10/93/61/210109361.db2.gz BEPCCEDJGNCXHZ-FQEVSTJZSA-N 0 0 347.886 4.879 50 0 EJAARN CCCCc1cc2c(cc1OC(C)=O)occ(-c1ccccc1)c2=O ZINC000004026896 210102842 /nfs/dbraw/zinc/10/28/42/210102842.db2.gz WISIYKWCPXAAIY-UHFFFAOYSA-N 0 0 336.387 4.728 50 0 biogenic EJAARN Cc1ccc(Oc2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)cc2)cc1 ZINC000101899251 219171313 /nfs/dbraw/zinc/17/13/13/219171313.db2.gz VTQKRHRXTIMFKW-CDHQVMDDSA-N 0 0 349.430 4.713 50 0 EJAARN O=C(Nc1ccc(Cl)cc1)c1cc(-c2cccc(Cl)c2)no1 ZINC000066089051 215008995 /nfs/dbraw/zinc/00/89/95/215008995.db2.gz JFJOGGJWSCPFOT-UHFFFAOYSA-N 0 0 333.174 4.901 50 0 EJAARN Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)o2)cc1C ZINC000045943102 213767299 /nfs/dbraw/zinc/76/72/99/213767299.db2.gz VJCAIXXTCFZOMH-UHFFFAOYSA-N 0 0 338.432 4.689 50 0 EJAARN Cc1cc(C)c(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)c(C)c1 ZINC000045941256 213766642 /nfs/dbraw/zinc/76/66/42/213766642.db2.gz OJKRRWWSVQZGLE-UHFFFAOYSA-N 0 0 339.826 4.703 50 0 EJAARN Cc1cccc(NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c1 ZINC000004005930 210098902 /nfs/dbraw/zinc/09/89/02/210098902.db2.gz BEGXTYVGZUMBTC-OAQYLSRUSA-N 0 0 327.427 4.940 50 0 EJAARN COc1ccc(NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc1 ZINC000004006355 210098426 /nfs/dbraw/zinc/09/84/26/210098426.db2.gz NCLFMRXNDDMDFQ-NRFANRHFSA-N 0 0 343.426 4.640 50 0 EJAARN Cc1cccc(C)c1NC(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000014110190 201925159 /nfs/dbraw/zinc/92/51/59/201925159.db2.gz FTDZSHDXCXCUGS-UHFFFAOYSA-N 0 0 339.366 4.867 50 0 EJAARN COc1ccc(-c2[nH]c3ncnn3c2Nc2ccc(C(C)C)cc2)cc1 ZINC000003909877 210092703 /nfs/dbraw/zinc/09/27/03/210092703.db2.gz VQTXBCATFFUWHZ-UHFFFAOYSA-N 0 0 347.422 4.600 50 0 EJAARN CCc1ccc(C2=Nc3ncnn3[C@H](c3ccc(SC)cc3)C2)cc1 ZINC000102047062 219182899 /nfs/dbraw/zinc/18/28/99/219182899.db2.gz YVDTXIRMSULOAT-IBGZPJMESA-N 0 0 348.475 4.618 50 0 EJAARN COc1ccc(-c2cn(-c3cccc(C)c3)c(=S)[nH]2)cc1OC ZINC000003906918 210090038 /nfs/dbraw/zinc/09/00/38/210090038.db2.gz MKOAWBFJFUMPSZ-UHFFFAOYSA-N 0 0 326.421 4.528 50 0 EJAARN CC(C)(C)OC(=O)N1CCC(Nc2ccc(C(C)(C)C)cc2)CC1 ZINC000003883323 210083744 /nfs/dbraw/zinc/08/37/44/210083744.db2.gz RNVSJDANLAJUQF-UHFFFAOYSA-N 0 0 332.488 4.796 50 0 EJAARN COc1cc(-c2csc(-c3ccc(F)cc3)n2)cc(OC)c1OC ZINC000014246153 201934974 /nfs/dbraw/zinc/93/49/74/201934974.db2.gz DCFPNZILOFTXGE-UHFFFAOYSA-N 0 0 345.395 4.642 50 0 EJAARN Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CCNC(=O)c2ccco2)C1(C)C ZINC000003765612 210073164 /nfs/dbraw/zinc/07/31/64/210073164.db2.gz RYNNDFMUPGRFQM-BEFAXECRSA-N 0 0 336.435 4.629 50 0 EJAARN O=C(Nc1nccs1)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000066346562 215034092 /nfs/dbraw/zinc/03/40/92/215034092.db2.gz JGCPJENDENYAJJ-ZDUSSCGKSA-N 0 0 349.868 4.769 50 0 EJAARN CCOP(=O)(OCC)[C@H](Nc1ccc(OC)cc1)c1ccco1 ZINC000003642069 210070551 /nfs/dbraw/zinc/07/05/51/210070551.db2.gz NOIMXYKDCVNWGM-INIZCTEOSA-N 0 0 339.328 4.665 50 0 EJAARN COc1ccc(NC(=O)c2c(C)onc2-c2ccccc2)cc1Cl ZINC000003615660 210066240 /nfs/dbraw/zinc/06/62/40/210066240.db2.gz KNRYIUOTBLWJRQ-UHFFFAOYSA-N 0 0 342.782 4.564 50 0 EJAARN CC(=O)c1cccc(NC(=O)CCCOc2ccc(Cl)c(C)c2)c1 ZINC000003611475 210065932 /nfs/dbraw/zinc/06/59/32/210065932.db2.gz AITTVVVQKOUQNT-UHFFFAOYSA-N 0 0 345.826 4.649 50 0 EJAARN Cc1cc(OCC(=O)NCc2cccs2)c(C(C)C)cc1Cl ZINC000003579070 210057678 /nfs/dbraw/zinc/05/76/78/210057678.db2.gz OTYFSGMZIQNTER-UHFFFAOYSA-N 0 0 337.872 4.529 50 0 EJAARN O=C(Cc1c(Cl)cccc1Cl)NCc1ccccc1Cl ZINC000003562332 210056495 /nfs/dbraw/zinc/05/64/95/210056495.db2.gz NRXZCBCOPCSDCZ-UHFFFAOYSA-N 0 0 328.626 4.506 50 0 EJAARN O=C(Cc1c(Cl)cccc1Cl)NCc1cccc(Cl)c1 ZINC000003563951 210056502 /nfs/dbraw/zinc/05/65/02/210056502.db2.gz FLUKZDBDZGRZJP-UHFFFAOYSA-N 0 0 328.626 4.506 50 0 EJAARN COc1cc(C(=O)Nc2c(C)cccc2C(C)C)cc(OC)c1C ZINC000003592019 210060932 /nfs/dbraw/zinc/06/09/32/210060932.db2.gz NJGWJOXSYZZJAI-UHFFFAOYSA-N 0 0 327.424 4.696 50 0 EJAARN COc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1F ZINC000003583807 210059588 /nfs/dbraw/zinc/05/95/88/210059588.db2.gz PAXICNUKSIQEAK-UHFFFAOYSA-N 0 0 338.260 4.570 50 0 EJAARN C[C@@H](NC(=O)CSc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000003455461 210043707 /nfs/dbraw/zinc/04/37/07/210043707.db2.gz RPROVBJKJBDBEV-GFCCVEGCSA-N 0 0 339.382 4.675 50 0 EJAARN Cc1nc(N[C@H](C)c2ccccc2)sc1C(=O)Nc1ccccc1 ZINC000003431518 210037534 /nfs/dbraw/zinc/03/75/34/210037534.db2.gz SJSFWGSDXSCXNK-CYBMUJFWSA-N 0 0 337.448 4.877 50 0 EJAARN C[C@H](Sc1ccc(F)cc1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000003429182 210037599 /nfs/dbraw/zinc/03/75/99/210037599.db2.gz MIRKIUSHZHTYCN-QMMMGPOBSA-N 0 0 345.226 4.647 50 0 EJAARN Cc1cc(C)c(-c2csc(NC(=O)Cc3ccsc3)n2)cc1C ZINC000003415283 210032760 /nfs/dbraw/zinc/03/27/60/210032760.db2.gz MEEVYWMRESWOHU-UHFFFAOYSA-N 0 0 342.489 4.978 50 0 EJAARN O=C(CCCSc1nc2ccccc2s1)Nc1ccc(F)cc1 ZINC000003374723 210020696 /nfs/dbraw/zinc/02/06/96/210020696.db2.gz XPKZSUAGWDLJTI-UHFFFAOYSA-N 0 0 346.452 4.946 50 0 EJAARN Cc1noc2c1[C@@H](C(C)C)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 ZINC000102744155 219227539 /nfs/dbraw/zinc/22/75/39/219227539.db2.gz ZSELBJCXALPKGL-CXAGYDPISA-N 0 0 338.407 4.904 50 0 EJAARN Cc1csc(N(C(=O)/C=C/c2cccs2)c2ccccc2)n1 ZINC000003346607 210015032 /nfs/dbraw/zinc/01/50/32/210015032.db2.gz XYDLDLVLAFHSBJ-MDZDMXLPSA-N 0 0 326.446 4.891 50 0 EJAARN CN(Cc1c(F)cccc1Cl)C(=O)CCc1c[nH]c2ccccc12 ZINC000003345906 210014861 /nfs/dbraw/zinc/01/48/61/210014861.db2.gz CTVATPZGQXFWSA-UHFFFAOYSA-N 0 0 344.817 4.552 50 0 EJAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1cccs1 ZINC000003345757 210015261 /nfs/dbraw/zinc/01/52/61/210015261.db2.gz OHCDEUBPASYAPI-QGZVFWFLSA-N 0 0 346.455 4.791 50 0 EJAARN CCc1sc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1C ZINC000003343598 210013139 /nfs/dbraw/zinc/01/31/39/210013139.db2.gz ACJNAQYJAVCFCG-UHFFFAOYSA-N 0 0 327.371 4.568 50 0 EJAARN CCCCC[C@@H]1[C@@H](CC(=O)OC)CC[C@H]1OC(=O)Nc1ccccc1 ZINC000102804644 219232068 /nfs/dbraw/zinc/23/20/68/219232068.db2.gz AUTCMLIZMUTLIQ-KBAYOESNSA-N 0 0 347.455 4.773 50 0 biogenic EJAARN COc1cccc(NC(=S)N[C@@H](C)c2ccc(CC(C)C)cc2)c1 ZINC000003348738 210014338 /nfs/dbraw/zinc/01/43/38/210014338.db2.gz QIFIFZDOTWJFJU-HNNXBMFYSA-N 0 0 342.508 4.941 50 0 EJAARN COc1ccc(NC(=O)c2sccc2-c2ccccc2)cc1OC ZINC000003326818 210008241 /nfs/dbraw/zinc/00/82/41/210008241.db2.gz TVMOFOYELXCHSA-UHFFFAOYSA-N 0 0 339.416 4.685 50 0 EJAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc2ccccc2n1 ZINC000003326825 210007710 /nfs/dbraw/zinc/00/77/10/210007710.db2.gz DSPSGEQHMDJZOA-UHFFFAOYSA-N 0 0 334.419 4.793 50 0 EJAARN CCN(c1cccc2ccccc21)S(=O)(=O)c1ccc(C)cc1C ZINC000003321537 210007337 /nfs/dbraw/zinc/00/73/37/210007337.db2.gz AVDUHNZIZXQBQV-UHFFFAOYSA-N 0 0 339.460 4.672 50 0 EJAARN Cc1sc(NC(=O)Cc2ccccc2)nc1-c1cc(C)ccc1C ZINC000003340453 210012193 /nfs/dbraw/zinc/01/21/93/210012193.db2.gz PWJXJNONHRHHRJ-UHFFFAOYSA-N 0 0 336.460 4.917 50 0 EJAARN O=C(COc1ccccc1Cl)Oc1cc(Cl)ccc1Cl ZINC000003336756 210011657 /nfs/dbraw/zinc/01/16/57/210011657.db2.gz SKECBCDTYKCRLD-UHFFFAOYSA-N 0 0 331.582 4.631 50 0 EJAARN CC(C)Cc1ccc([C@@H](C)NC(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000003333495 210011155 /nfs/dbraw/zinc/01/11/55/210011155.db2.gz OCRYCWNZZLMVRV-MRXNPFEDSA-N 0 0 334.463 4.786 50 0 EJAARN Cc1cc(C)c(C(=O)COC(=O)C=Cc2ccccc2Cl)c(C)c1 ZINC000003334714 210011086 /nfs/dbraw/zinc/01/10/86/210011086.db2.gz YXDMDSXCCJELJG-CMDGGOBGSA-N 0 0 342.822 4.705 50 0 EJAARN COc1ccc(/C=C/C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cc1 ZINC000015694897 201961244 /nfs/dbraw/zinc/96/12/44/201961244.db2.gz ZSUCINSRBSTBFX-RUNBWSAHSA-N 0 0 349.352 4.605 50 0 EJAARN Nc1ccccc1Nc1cc(-c2cccs2)nn1-c1ccccc1 ZINC000003308230 210002890 /nfs/dbraw/zinc/00/28/90/210002890.db2.gz KWVUHLBVJSMLBO-UHFFFAOYSA-N 0 0 332.432 4.927 50 0 EJAARN O=C(CSc1nc2ccccc2o1)c1ccccc1Br ZINC000003310262 210002841 /nfs/dbraw/zinc/00/28/41/210002841.db2.gz ZHAGMVZLQDUYRL-UHFFFAOYSA-N 0 0 348.221 4.565 50 0 EJAARN CCCCn1c(=O)c2ccccc2nc1SCc1cccc(F)c1 ZINC000067259700 215128887 /nfs/dbraw/zinc/12/88/87/215128887.db2.gz NEIQPYIZUCJCID-UHFFFAOYSA-N 0 0 342.439 4.628 50 0 EJAARN CCOC(=O)c1sc(NC(=S)Nc2ccc(C)c(C)c2)cc1C ZINC000003285089 209998173 /nfs/dbraw/zinc/99/81/73/209998173.db2.gz PQMAVWOUIDTJDH-UHFFFAOYSA-N 0 0 348.493 4.659 50 0 EJAARN COc1ccc(C(=O)CNc2cccc(Oc3ccccc3)c2)cc1 ZINC000003296546 210000921 /nfs/dbraw/zinc/00/09/21/210000921.db2.gz WSGZEMIINVZTFQ-UHFFFAOYSA-N 0 0 333.387 4.782 50 0 EJAARN O=C(Nc1nc2ccccc2s1)C1(c2cccc(F)c2)CCCC1 ZINC000003297222 210000132 /nfs/dbraw/zinc/00/01/32/210000132.db2.gz IXAVCVKBBBHUDU-UHFFFAOYSA-N 0 0 340.423 4.886 50 0 EJAARN CCOC(=O)c1ccccc1NC(=O)/C=C/c1cc2ccc(C)cc2o1 ZINC000067339813 215134748 /nfs/dbraw/zinc/13/47/48/215134748.db2.gz TZXWXTZKOJLXHY-ZHACJKMWSA-N 0 0 349.386 4.570 50 0 EJAARN Cc1c(-c2nc(-c3ccccc3)cs2)nnn1-c1cccc(F)c1 ZINC000067341603 215135212 /nfs/dbraw/zinc/13/52/12/215135212.db2.gz ZESMKQBLZYBHHW-UHFFFAOYSA-N 0 0 336.395 4.505 50 0 EJAARN O=C(Nc1cccc(SC(F)F)c1)N(Cc1ccccn1)C1CC1 ZINC000067356203 215135736 /nfs/dbraw/zinc/13/57/36/215135736.db2.gz ZUZNFRMQOVTQAP-UHFFFAOYSA-N 0 0 349.406 4.593 50 0 EJAARN CC(C)(C)C1CCC(OC(=O)c2cncc(Br)c2)CC1 ZINC000003258157 209990713 /nfs/dbraw/zinc/99/07/13/209990713.db2.gz AWXDIWRVWJJOPH-UHFFFAOYSA-N 0 0 340.261 4.606 50 0 EJAARN CC(=O)c1sc(NC(=O)C2CCCCC2)nc1-c1ccccc1 ZINC000003229479 209982269 /nfs/dbraw/zinc/98/22/69/209982269.db2.gz QWRRYBHQSGXIBN-UHFFFAOYSA-N 0 0 328.437 4.532 50 0 EJAARN CCOc1ccccc1NC(=O)C1=Cc2cc(Cl)ccc2OC=C1 ZINC000015838540 201966402 /nfs/dbraw/zinc/96/64/02/201966402.db2.gz HJNZPRUUXLQPCJ-UHFFFAOYSA-N 0 0 341.794 4.667 50 0 EJAARN Cc1nc(-c2c(-c3ccccc3)ncn2[C@@H]2C[C@H]2c2ccccc2)c[nH]1 ZINC000067473299 215152279 /nfs/dbraw/zinc/15/22/79/215152279.db2.gz KCBYDAKYPUWGRS-AZUAARDMSA-N 0 0 340.430 4.977 50 0 EJAARN c1cc2c(cccc2Cn2cnc(-c3ccccc3)c2[C@H]2CCOC2)[nH]1 ZINC000067491086 215154516 /nfs/dbraw/zinc/15/45/16/215154516.db2.gz CUELVOUZLNTZAR-SFHVURJKSA-N 0 0 343.430 4.584 50 0 EJAARN COC(=O)c1ccc(-c2nc(-c3ccccc3Cl)cs2)cc1 ZINC000003108074 209964760 /nfs/dbraw/zinc/96/47/60/209964760.db2.gz VZDLLJAFFYWYAC-UHFFFAOYSA-N 0 0 329.808 4.917 50 0 EJAARN Cc1ccc(CN2CCOc3c(O)cc(-c4ccccc4C)cc3C2)o1 ZINC000067673338 215179431 /nfs/dbraw/zinc/17/94/31/215179431.db2.gz CJTCCLOHYKGGNE-UHFFFAOYSA-N 0 0 349.430 4.664 50 0 EJAARN Cc1ccc2[nH]c(CNCc3scnc3-c3ccccc3)nc2c1C ZINC000067741887 215200038 /nfs/dbraw/zinc/20/00/38/215200038.db2.gz QGYACGDEAIYCPO-UHFFFAOYSA-N 0 0 348.475 4.593 50 0 EJAARN Cc1ccccc1C(=O)Nc1ccc(-c2nc3cccnc3s2)cc1 ZINC000002961258 209946256 /nfs/dbraw/zinc/94/62/56/209946256.db2.gz WKHPRNRTOCZVGQ-UHFFFAOYSA-N 0 0 345.427 4.919 50 0 EJAARN C=Cc1ccc(C(=O)NCc2cccnc2Oc2ccccc2F)cc1 ZINC000067833490 215224391 /nfs/dbraw/zinc/22/43/91/215224391.db2.gz VDXLAPAXQMANMH-UHFFFAOYSA-N 0 0 348.377 4.586 50 0 EJAARN O=C(Nc1ccccc1)c1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000002879839 209934941 /nfs/dbraw/zinc/93/49/41/209934941.db2.gz RIHOYVMBUVLYNC-UHFFFAOYSA-N 0 0 341.370 4.656 50 0 EJAARN C[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1cccc(Cl)c1 ZINC000016018196 201970749 /nfs/dbraw/zinc/97/07/49/201970749.db2.gz ZXDJHKUYXXEVFD-SNVBAGLBSA-N 0 0 327.733 4.850 50 0 EJAARN Cc1cc(Br)cc(C)c1NC(=O)c1c(F)cccc1F ZINC000002848984 209927181 /nfs/dbraw/zinc/92/71/81/209927181.db2.gz BNYLNWCKEVSBPK-UHFFFAOYSA-N 0 0 340.167 4.596 50 0 EJAARN O=C(NCCSCc1c(Cl)cccc1Cl)c1ccccc1 ZINC000002815383 209921725 /nfs/dbraw/zinc/92/17/25/209921725.db2.gz TWZXDYXHDFMBPI-UHFFFAOYSA-N 0 0 340.275 4.657 50 0 EJAARN Fc1ccc(Oc2ncccc2CNc2ncccc2Cl)cc1F ZINC000067974043 215264009 /nfs/dbraw/zinc/26/40/09/215264009.db2.gz XKEXLVMHUNDDCH-UHFFFAOYSA-N 0 0 347.752 4.813 50 0 EJAARN Cc1ccc([C@H]2C[C@@H](c3cccc4ccccc43)n3ncnc3N2)cc1 ZINC000002797220 209916877 /nfs/dbraw/zinc/91/68/77/209916877.db2.gz ASAXKNVZXXCIFJ-RTWAWAEBSA-N 0 0 340.430 4.886 50 0 EJAARN CC(=O)c1c(C)[nH]c(-c2csc(COc3ccc(F)cc3)n2)c1C ZINC000016941273 201982228 /nfs/dbraw/zinc/98/22/28/201982228.db2.gz ZZKJPEWJPMPCQW-UHFFFAOYSA-N 0 0 344.411 4.676 50 0 EJAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C)c(Cl)c3n2)s1 ZINC000002786437 209912800 /nfs/dbraw/zinc/91/28/00/209912800.db2.gz LDFAABUTNQGMDK-UHFFFAOYSA-N 0 0 331.750 4.747 50 0 EJAARN CCCCN(CCCC)C(=O)[C@@H](C)Oc1ccc(Cl)cc1C ZINC000002766901 209907234 /nfs/dbraw/zinc/90/72/34/209907234.db2.gz WITUGDIJANTURX-OAHLLOKOSA-N 0 0 325.880 4.845 50 0 EJAARN CC[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(C)cc1 ZINC000002764787 209904965 /nfs/dbraw/zinc/90/49/65/209904965.db2.gz LYXODEAGLWHZKF-KRWDZBQOSA-N 0 0 346.268 4.568 50 0 EJAARN C[C@H](NC(=O)c1csc2c1CC[C@H](C(C)(C)C)C2)c1ccncc1 ZINC000002749590 209901945 /nfs/dbraw/zinc/90/19/45/209901945.db2.gz OJKKOMHCXGITHT-ZFWWWQNUSA-N 0 0 342.508 4.785 50 0 EJAARN Cc1[nH]c2ccccc2c1SCCNC(=O)c1ccc(Cl)cc1 ZINC000002721091 209895979 /nfs/dbraw/zinc/89/59/79/209895979.db2.gz NVCUEMVXELTOQN-UHFFFAOYSA-N 0 0 344.867 4.652 50 0 EJAARN CCOc1ccc(-c2cc3ccc(N(CC)CC)cc3oc2=O)cc1 ZINC000002598562 209872015 /nfs/dbraw/zinc/87/20/15/209872015.db2.gz ZXBYZMNWKCWCGW-UHFFFAOYSA-N 0 0 337.419 4.705 50 0 EJAARN FC(F)(Br)c1ccc(C(F)(F)Br)cc1 ZINC000002581464 209870612 /nfs/dbraw/zinc/87/06/12/209870612.db2.gz LVNDZUPLJHHVKR-UHFFFAOYSA-N 0 0 335.920 4.575 50 0 EJAARN O=C(CCc1ccc(Br)cc1)c1cc(F)c(F)c(F)c1 ZINC000002517208 209862637 /nfs/dbraw/zinc/86/26/37/209862637.db2.gz QYKQGXCTBKERGO-UHFFFAOYSA-N 0 0 343.142 4.682 50 0 EJAARN O=C(CCc1cccc(F)c1)c1ccc(Br)c(F)c1 ZINC000002517342 209861559 /nfs/dbraw/zinc/86/15/59/209861559.db2.gz LZHQZQLRPYCLLV-UHFFFAOYSA-N 0 0 325.152 4.543 50 0 EJAARN Cc1c(OCc2ccc(F)cc2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000002551156 209865189 /nfs/dbraw/zinc/86/51/89/209865189.db2.gz NUZCHECFIUFNFA-UHFFFAOYSA-N 0 0 338.378 4.698 50 0 EJAARN Cc1ccc2[nH]cc(C(=O)CN3CCC(Cc4ccccc4)CC3)c2c1 ZINC000002451709 209851437 /nfs/dbraw/zinc/85/14/37/209851437.db2.gz IQFHYBOQTPJBEM-UHFFFAOYSA-N 0 0 346.474 4.614 50 0 EJAARN CCc1nc2c3ccccc3oc2c(SCC(=O)c2ccccc2)n1 ZINC000002448292 209851166 /nfs/dbraw/zinc/85/11/66/209851166.db2.gz MLJUQBWZAACHQW-UHFFFAOYSA-N 0 0 348.427 4.913 50 0 EJAARN Cc1nn2c(nc(C(C)(C)C)cc2N2CCCC2)c1-c1ccccc1 ZINC000002244742 209834084 /nfs/dbraw/zinc/83/40/84/209834084.db2.gz ZBUAXMOYRXFDFL-UHFFFAOYSA-N 0 0 334.467 4.602 50 0 EJAARN CSc1nn(-c2ccccc2)c2ncnc(Nc3cccc(C)c3)c12 ZINC000068755724 215331563 /nfs/dbraw/zinc/33/15/63/215331563.db2.gz BGKZOVRVVSLNSY-UHFFFAOYSA-N 0 0 347.447 4.589 50 0 EJAARN Cc1cc(=O)oc2c1ccc1c2CN(c2ccc(C(C)(C)C)cc2)CO1 ZINC000002114319 209820628 /nfs/dbraw/zinc/82/06/28/209820628.db2.gz SDUGWVFNCYDJFT-UHFFFAOYSA-N 0 0 349.430 4.755 50 0 biogenic EJAARN O=C(Oc1ccc2oc(-c3ccccc3)cc(=O)c2c1)c1cccs1 ZINC000001977914 209809872 /nfs/dbraw/zinc/80/98/72/209809872.db2.gz MRDQSOZRIXPBPM-UHFFFAOYSA-N 0 0 348.379 4.741 50 0 biogenic,in-vitro EJAARN CCCC[C@H](NC(C)=O)c1nc2ccccc2n1Cc1ccccc1C ZINC000001927005 209806268 /nfs/dbraw/zinc/80/62/68/209806268.db2.gz CTDXJNAULXXMRZ-FQEVSTJZSA-N 0 0 349.478 4.760 50 0 EJAARN Cc1c(Cl)cccc1NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000040478280 213313965 /nfs/dbraw/zinc/31/39/65/213313965.db2.gz KWMNEJWZJUOJBE-UHFFFAOYSA-N 0 0 346.217 4.944 50 0 EJAARN CCCOc1ccc(/C=C/C(=O)Nc2ccc(OC(C)C)cc2)cc1 ZINC000001777948 209792489 /nfs/dbraw/zinc/79/24/89/209792489.db2.gz NAMOFWSPJSYRSF-VGOFMYFVSA-N 0 0 339.435 4.915 50 0 EJAARN O=C(CCc1ccncc1)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000069491141 215443762 /nfs/dbraw/zinc/44/37/62/215443762.db2.gz PJSIFHNPKROOQN-OAQYLSRUSA-N 0 0 330.431 4.531 50 0 EJAARN CCCc1cc2c(cc1NC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C)OCO2 ZINC000001670455 209779537 /nfs/dbraw/zinc/77/95/37/209779537.db2.gz QPHJVFKCXRFWFY-KDOFPFPSSA-N 0 0 329.440 4.545 50 0 in-vitro EJAARN CC(C)c1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2cccnc2)cc1 ZINC000040267379 213286264 /nfs/dbraw/zinc/28/62/64/213286264.db2.gz WERUFYWFGUYROZ-KRWDZBQOSA-N 0 0 332.407 4.514 50 0 EJAARN CC(C)(C)c1nnc(NC(=O)c2ccccc2-c2ccccc2)s1 ZINC000040156990 213276163 /nfs/dbraw/zinc/27/61/63/213276163.db2.gz VBFMYMBZXDMTCC-UHFFFAOYSA-N 0 0 337.448 4.755 50 0 EJAARN CCN(C(=O)Cc1cccs1)c1nc2cc(Cl)ccc2s1 ZINC000040159728 213275439 /nfs/dbraw/zinc/27/54/39/213275439.db2.gz QTLRPHMSMUZWSS-UHFFFAOYSA-N 0 0 336.869 4.607 50 0 EJAARN CCCCCCNC(=O)CCc1nc2ccccc2n1-c1ccccc1 ZINC000040160364 213277043 /nfs/dbraw/zinc/27/70/43/213277043.db2.gz ABBBPUWENOFBMT-UHFFFAOYSA-N 0 0 349.478 4.655 50 0 EJAARN Cc1ccc2nc(C)c(C(=O)Nc3cccc(-c4cnco4)c3)cc2c1 ZINC000040152467 213273706 /nfs/dbraw/zinc/27/37/06/213273706.db2.gz RKKXLSQTWNSXEU-UHFFFAOYSA-N 0 0 343.386 4.759 50 0 EJAARN COc1ccc(NC(=O)c2ccc3ccccc3n2)c(C(F)(F)F)c1 ZINC000040145526 213272259 /nfs/dbraw/zinc/27/22/59/213272259.db2.gz UCXMOWQABJFYBN-UHFFFAOYSA-N 0 0 346.308 4.515 50 0 EJAARN CN(Cc1csc(C2CCCCC2)n1)Cc1ccc2c(c1)OCO2 ZINC000040105797 213266530 /nfs/dbraw/zinc/26/65/30/213266530.db2.gz NQZSAGDUZJXRAV-UHFFFAOYSA-N 0 0 344.480 4.552 50 0 EJAARN Cc1nc(-c2cccc(NC(=O)N(C)Cc3ccccc3)c2)cs1 ZINC000040104086 213264679 /nfs/dbraw/zinc/26/46/79/213264679.db2.gz QHGLGILKJSDGNG-UHFFFAOYSA-N 0 0 337.448 4.782 50 0 EJAARN CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000040096983 213264190 /nfs/dbraw/zinc/26/41/90/213264190.db2.gz IIYVFABYIWUUNT-AWEZNQCLSA-N 0 0 339.439 4.651 50 0 EJAARN O=C(Nc1cccnc1Oc1ccccc1)c1cc(Cl)ccc1F ZINC000040088000 213260183 /nfs/dbraw/zinc/26/01/83/213260183.db2.gz FQNYAFZNRAURJF-UHFFFAOYSA-N 0 0 342.757 4.919 50 0 EJAARN Cc1cc2cc(NC(=O)c3ccc(Br)s3)ccc2[nH]1 ZINC000040081314 213259326 /nfs/dbraw/zinc/25/93/26/213259326.db2.gz DAWULDNMIVAFPU-UHFFFAOYSA-N 0 0 335.226 4.553 50 0 EJAARN COc1cccc(/C=C/C(=O)N(C)[C@H](C)c2cc3ccccc3o2)c1 ZINC000040056977 213255318 /nfs/dbraw/zinc/25/53/18/213255318.db2.gz GPSBPOPBZDEJDD-AYJWMTRPSA-N 0 0 335.403 4.674 50 0 EJAARN C[C@@H](c1nc(-c2cccs2)no1)N(C)Cc1ccccc1Cl ZINC000040071600 213258038 /nfs/dbraw/zinc/25/80/38/213258038.db2.gz BSCQOOHTAHHSNE-NSHDSACASA-N 0 0 333.844 4.645 50 0 EJAARN C[C@@H](c1nc(-c2cccs2)no1)N(C)Cc1cccc(Cl)c1 ZINC000040071607 213257657 /nfs/dbraw/zinc/25/76/57/213257657.db2.gz NVNOAXPSKWLAJG-NSHDSACASA-N 0 0 333.844 4.645 50 0 EJAARN COc1ccccc1[C@H](C)N(C)C(=O)CCc1ccccc1Cl ZINC000040069864 213257365 /nfs/dbraw/zinc/25/73/65/213257365.db2.gz XYMSICDDTJNGIP-AWEZNQCLSA-N 0 0 331.843 4.501 50 0 EJAARN COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(Cl)o2)cc1 ZINC000040005358 213248374 /nfs/dbraw/zinc/24/83/74/213248374.db2.gz HBGODBADLOOUSJ-HNNXBMFYSA-N 0 0 333.815 4.699 50 0 EJAARN CC[C@@H](C)c1ccccc1O[C@H](CC)C(=O)Nc1cccc(N)c1C ZINC000019736762 202018301 /nfs/dbraw/zinc/01/83/01/202018301.db2.gz LZTSAPZVBGLMIR-AUUYWEPGSA-N 0 0 340.467 4.887 50 0 EJAARN S=C1O[C@@H]2CC3C(c4ccccc4)C(C[C@H]2O1)C3c1ccccc1 ZINC000039381649 213236795 /nfs/dbraw/zinc/23/67/95/213236795.db2.gz BFHMZFVZCQTIBF-SRLJOODASA-N 0 0 336.456 4.663 50 0 EJAARN FC(F)(F)c1ccccc1CNc1ncnc2cc(Cl)ccc21 ZINC000001405670 209741148 /nfs/dbraw/zinc/74/11/48/209741148.db2.gz ARRJFQKIYAVUEU-UHFFFAOYSA-N 0 0 337.732 4.914 50 0 EJAARN Oc1ccccc1-c1cc(C(F)(F)C(F)F)nn1-c1ccccc1 ZINC000001122595 209711837 /nfs/dbraw/zinc/71/18/37/209711837.db2.gz SVVNXFBJVPDRDP-UHFFFAOYSA-N 0 0 336.288 4.602 50 0 EJAARN CC(C)(C)[C@H]1CCc2nc(NC(=O)c3ccc(F)cc3)sc2C1 ZINC000001104263 209711308 /nfs/dbraw/zinc/71/13/08/209711308.db2.gz PNOUDRBQZVKJBN-LBPRGKRZSA-N 0 0 332.444 4.686 50 0 EJAARN Cc1cc(Cl)ccc1NC(=O)CSc1cccc2cccnc21 ZINC000000859623 209692305 /nfs/dbraw/zinc/69/23/05/209692305.db2.gz DGSAQCYGZPYKJL-UHFFFAOYSA-N 0 0 342.851 4.927 50 0 EJAARN CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(CC)C2=O)cc1Cl ZINC000000980978 209697304 /nfs/dbraw/zinc/69/73/04/209697304.db2.gz ZSLJVQNWQXUPIK-RSYJBZMQSA-N 0 0 339.844 4.574 50 0 EJAARN CC(=O)n1nc(C)c2c1nc1ccc(Cl)cc1c2-c1ccccc1 ZINC000000753976 209684995 /nfs/dbraw/zinc/68/49/95/209684995.db2.gz ODGOJTDIVJSBOV-UHFFFAOYSA-N 0 0 335.794 4.873 50 0 EJAARN O=C(NCc1ccccc1Cl)C1(c2ccccc2)CCCCC1 ZINC000000619222 209683174 /nfs/dbraw/zinc/68/31/74/209683174.db2.gz MLZKJCRFESPBIS-UHFFFAOYSA-N 0 0 327.855 4.858 50 0 EJAARN COc1ccc(Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1 ZINC000000813383 209689831 /nfs/dbraw/zinc/68/98/31/209689831.db2.gz YJSYKAYVGIFPQQ-UHFFFAOYSA-N 0 0 339.420 4.521 50 0 EJAARN Cc1cccc(OCc2nc3ccccc3n2Cc2ccccc2)c1 ZINC000000615472 209679554 /nfs/dbraw/zinc/67/95/54/209679554.db2.gz HROVCYNHBCGVQC-UHFFFAOYSA-N 0 0 328.415 4.972 50 0 EJAARN COc1ccc(Cl)cc1NC(=O)N1c2ccc(F)cc2CC[C@H]1C ZINC000000611371 209675808 /nfs/dbraw/zinc/67/58/08/209675808.db2.gz DMZPLVLIZCJLCR-LLVKDONJSA-N 0 0 348.805 4.861 50 0 EJAARN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc2ccccc21 ZINC000000579785 209671145 /nfs/dbraw/zinc/67/11/45/209671145.db2.gz YSAYAFGZIQVJFY-ZDUSSCGKSA-N 0 0 325.795 4.899 50 0 EJAARN Oc1cccc(Nc2nc3ccccc3c(NCc3ccccc3)n2)c1 ZINC000000572958 209670111 /nfs/dbraw/zinc/67/01/11/209670111.db2.gz ZVTKMDHONJEYCY-UHFFFAOYSA-N 0 0 342.402 4.691 50 0 EJAARN O=C(OCc1ccc(F)cc1)c1c2ccccc2nc2c1CCCC2 ZINC000000563764 209665925 /nfs/dbraw/zinc/66/59/25/209665925.db2.gz OPPZJGGKZPNOAA-UHFFFAOYSA-N 0 0 335.378 4.610 50 0 EJAARN COC(=O)c1cc(Nc2cccc(SC)c2)c2cccc(C)c2n1 ZINC000038487144 213210305 /nfs/dbraw/zinc/21/03/05/213210305.db2.gz UDLKZHFSXSKCGN-UHFFFAOYSA-N 0 0 338.432 4.795 50 0 EJAARN Cc1nc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1Br ZINC000000561769 209665058 /nfs/dbraw/zinc/66/50/58/209665058.db2.gz ZBHSUKIMDMXXIP-UHFFFAOYSA-N 0 0 347.256 4.702 50 0 EJAARN Cc1cccc(NC(=O)Cn2cc(C(=O)C(C)C)c3ccccc32)c1C ZINC000000560762 209665021 /nfs/dbraw/zinc/66/50/21/209665021.db2.gz JTFJAAUTQXDAPL-UHFFFAOYSA-N 0 0 348.446 4.736 50 0 EJAARN Cc1ccc(SCc2ccc(C(=O)Nc3cccnc3)cc2)cc1 ZINC000038139216 213202084 /nfs/dbraw/zinc/20/20/84/213202084.db2.gz CUTARBNEDWEWAS-UHFFFAOYSA-N 0 0 334.444 4.935 50 0 EJAARN Fc1ccc(CCNc2ncnc3c4cc(Cl)ccc4[nH]c32)cc1 ZINC000000551305 209660472 /nfs/dbraw/zinc/66/04/72/209660472.db2.gz YSANKKMIIMHLPX-UHFFFAOYSA-N 0 0 340.789 4.558 50 0 EJAARN CCOc1ccc(NC(=O)c2cc(Cl)nc3ccccc32)cc1 ZINC000000551113 209660567 /nfs/dbraw/zinc/66/05/67/209660567.db2.gz YPZOPXUUSFYIKM-UHFFFAOYSA-N 0 0 326.783 4.539 50 0 EJAARN CC(C)C(=O)Oc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O ZINC000000537424 209655000 /nfs/dbraw/zinc/65/50/00/209655000.db2.gz DZSVIKSMDHVWJU-UHFFFAOYSA-N 0 0 342.778 4.675 50 0 biogenic EJAARN Cc1cccc(Nc2ncnc3c2cnn3-c2ccc(Cl)cc2)c1 ZINC000000529438 209649597 /nfs/dbraw/zinc/64/95/97/209649597.db2.gz WXCCYGGDTQAODI-UHFFFAOYSA-N 0 0 335.798 4.521 50 0 EJAARN CCOc1ccc(OCc2ccc(C(=O)c3ccccc3)cc2)cc1 ZINC000000527741 209648903 /nfs/dbraw/zinc/64/89/03/209648903.db2.gz JHFXMIHGKJMRCL-UHFFFAOYSA-N 0 0 332.399 4.895 50 0 EJAARN O=C(Nc1cccc2ccccc21)N1CCCC[C@H]1c1ccncc1 ZINC000000520551 209645178 /nfs/dbraw/zinc/64/51/78/209645178.db2.gz OTNPKGYHPMECIM-FQEVSTJZSA-N 0 0 331.419 4.994 50 0 EJAARN Cc1ccc(-n2c(Nc3ccc(C)cc3C)c3[nH]cccc-3c2=O)cc1 ZINC000020319585 202038399 /nfs/dbraw/zinc/03/83/99/202038399.db2.gz SQBIZXDKTMTLTQ-NRFANRHFSA-N 0 0 343.430 4.778 50 0 EJAARN Cc1cc(-c2nc3ccccc3[nH]2)ccc1NC(=O)c1ccc(F)cc1 ZINC000020096584 202031254 /nfs/dbraw/zinc/03/12/54/202031254.db2.gz MJWXFALHBONIJI-UHFFFAOYSA-N 0 0 345.377 4.930 50 0 EJAARN CCOc1ccccc1-c1nnc(Cc2ccc(F)cc2Cl)o1 ZINC000020852325 202056409 /nfs/dbraw/zinc/05/64/09/202056409.db2.gz FMQFXDFMWOFPHF-UHFFFAOYSA-N 0 0 332.762 4.519 50 0 EJAARN Fc1ccc(C2=Nc3ccc(F)cc3N=C(c3ccccc3)N2)cc1 ZINC000020868479 202055688 /nfs/dbraw/zinc/05/56/88/202055688.db2.gz TXQUFAFLSGMVPC-UHFFFAOYSA-N 0 0 333.341 4.915 50 0 EJAARN CCOc1ccc(NC(=O)C2=Cc3sc(C)c(C)c3CS2)cc1 ZINC000020557301 202049186 /nfs/dbraw/zinc/04/91/86/202049186.db2.gz JAFPEWAPVXXRPK-UHFFFAOYSA-N 0 0 345.489 4.990 50 0 EJAARN COc1ccc(C)cc1CN(C)C(=O)c1cc(Cl)ccc1Cl ZINC000021557640 202066285 /nfs/dbraw/zinc/06/62/85/202066285.db2.gz RRIMTUJKRYOQKV-UHFFFAOYSA-N 0 0 338.234 4.583 50 0 EJAARN COC(=O)c1cc(CSC2=Nc3ccccc3CS2)oc1C ZINC000021627347 202067253 /nfs/dbraw/zinc/06/72/53/202067253.db2.gz RRCOQINPEPJGKC-UHFFFAOYSA-N 0 0 333.434 4.542 50 0 EJAARN CCc1ccc(-c2nc3ncccn3c2NCc2ccc(F)cc2)cc1 ZINC000021631579 202067542 /nfs/dbraw/zinc/06/75/42/202067542.db2.gz VSRXSJFFQBUFAO-UHFFFAOYSA-N 0 0 346.409 4.710 50 0 EJAARN CCOC(=O)c1cc(Nc2ccc(F)cc2C)c2cc(C)ccc2n1 ZINC000021657937 202068453 /nfs/dbraw/zinc/06/84/53/202068453.db2.gz ZKTQUIMVPKRJGQ-UHFFFAOYSA-N 0 0 338.382 4.911 50 0 EJAARN CCc1onc(C)c1[C@H]1CCCN1Cc1cccc(Br)c1 ZINC000021720856 202069100 /nfs/dbraw/zinc/06/91/00/202069100.db2.gz WRQJMRNWXNCOGY-OAHLLOKOSA-N 0 0 349.272 4.645 50 0 EJAARN Cc1c(Cl)cccc1NC(=O)C[C@@H](c1ccco1)n1cccc1 ZINC000020997344 202060527 /nfs/dbraw/zinc/06/05/27/202060527.db2.gz YRCQXLBTGVQLEP-INIZCTEOSA-N 0 0 328.799 4.661 50 0 EJAARN CCOc1ccc(NC(=O)C[C@@H](c2cccs2)n2cccc2)cc1 ZINC000020997068 202060633 /nfs/dbraw/zinc/06/06/33/202060633.db2.gz HQEUHDPLHQRCRI-KRWDZBQOSA-N 0 0 340.448 4.567 50 0 EJAARN Cc1ccc(CNc2c(-c3ccc(C)cc3)nc3ncccn32)cc1 ZINC000020996863 202060649 /nfs/dbraw/zinc/06/06/49/202060649.db2.gz VLVPNAJUNIQNCI-UHFFFAOYSA-N 0 0 328.419 4.625 50 0 EJAARN CCC[C@@H]1CCc2c(sc(NC(=O)C3CCC3)c2C(=O)OCC)C1 ZINC000022325776 202083142 /nfs/dbraw/zinc/08/31/42/202083142.db2.gz YLKYFSXHLPSJIV-GFCCVEGCSA-N 0 0 349.496 4.568 50 0 EJAARN C[C@H]1CCCCN1C(=O)c1cc(-c2ccc(C(C)(C)C)cc2)on1 ZINC000022336372 202083628 /nfs/dbraw/zinc/08/36/28/202083628.db2.gz KQFDHZJFMAWCQM-AWEZNQCLSA-N 0 0 326.440 4.654 50 0 EJAARN Cc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2NC1CC1 ZINC000021797971 202070650 /nfs/dbraw/zinc/07/06/50/202070650.db2.gz VUBKLJCBXKKVQH-UHFFFAOYSA-N 0 0 340.430 4.970 50 0 EJAARN Cc1ccc(C)c(NC(=O)c2cc3c4c(ccc3Cl)OCCn24)c1 ZINC000021872318 202073289 /nfs/dbraw/zinc/07/32/89/202073289.db2.gz AUMZANYHIXSZKS-UHFFFAOYSA-N 0 0 340.810 4.556 50 0 EJAARN CN(C)c1ccc(Nc2nc(-c3ccsc3)nc3ccccc32)cn1 ZINC000023619009 202105959 /nfs/dbraw/zinc/10/59/59/202105959.db2.gz KIRGAGJLXQRAJR-UHFFFAOYSA-N 0 0 347.447 4.563 50 0 EJAARN O=C(c1cccc(F)c1)N1CCc2ccccc2[C@@H]1c1ccccc1F ZINC000023309953 202101443 /nfs/dbraw/zinc/10/14/43/202101443.db2.gz QSINYROYMUHAAM-OAQYLSRUSA-N 0 0 349.380 4.753 50 0 EJAARN Cc1cccc(Cc2cnc(NC(=O)c3ccco3)s2)c1Cl ZINC000024828514 202122129 /nfs/dbraw/zinc/12/21/29/202122129.db2.gz LLRVPGWYBGKWAA-UHFFFAOYSA-N 0 0 332.812 4.541 50 0 EJAARN C[C@@H](Sc1ccc(C(C)(C)C)cc1)C(=O)NCc1cccs1 ZINC000025722536 202135729 /nfs/dbraw/zinc/13/57/29/202135729.db2.gz ONEOBSRVVXCMSV-CYBMUJFWSA-N 0 0 333.522 4.843 50 0 EJAARN O=C(Nc1nc(-c2cccc(F)c2)cs1)C1(c2ccccc2)CC1 ZINC000025322131 202129755 /nfs/dbraw/zinc/12/97/55/202129755.db2.gz UGQFRDGTIUZSEA-UHFFFAOYSA-N 0 0 338.407 4.620 50 0 EJAARN CC1(C)Cc2c(sc3[nH]c(-c4ccccc4)nc(=S)c23)CO1 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COC[C@H]1CCC[C@H]1n1ccnc1-c1c(OC)ccc2ccccc21 ZINC000072158015 216048188 /nfs/dbraw/zinc/04/81/88/216048188.db2.gz MWGRZJCRWRBAFY-SJLPKXTDSA-N 0 0 336.435 4.700 50 0 EJAARN CCc1nc(COc2ccc(C(=O)c3ccc(F)cc3)cc2)cs1 ZINC000031682243 212743013 /nfs/dbraw/zinc/74/30/13/212743013.db2.gz TVBLFTSJPCVTRM-UHFFFAOYSA-N 0 0 341.407 4.655 50 0 EJAARN CCc1[nH]nc(-c2ccc(C(C)(C)C)cc2)c1NC(=O)CC(C)C ZINC000034795783 202277870 /nfs/dbraw/zinc/27/78/70/202277870.db2.gz RTIXWKGCZLVUQS-UHFFFAOYSA-N 0 0 327.472 4.921 50 0 EJAARN CC(C)(C)c1ccc(-c2nnnn2-c2cccc(C(F)(F)F)c2)cc1 ZINC000000411270 209574260 /nfs/dbraw/zinc/57/42/60/209574260.db2.gz OUTMHAKBGWLJCK-UHFFFAOYSA-N 0 0 346.356 4.646 50 0 EJAARN Cc1ccc(C(=O)Nc2cccc(-c3noc(C4CCC4)n3)c2)cc1C ZINC000035552304 202305379 /nfs/dbraw/zinc/30/53/79/202305379.db2.gz NASFHAZEZCOSCJ-UHFFFAOYSA-N 0 0 347.418 4.873 50 0 EJAARN CC(C)Cc1nc2sc3c(c2c(N2CCCC2)n1)CC[C@@H](C)C3 ZINC000035892813 202310836 /nfs/dbraw/zinc/31/08/36/202310836.db2.gz WYUUNKRRPXHKHU-CYBMUJFWSA-N 0 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/nfs/dbraw/zinc/52/86/67/209528667.db2.gz HOVZKHYGZWAEQB-UHFFFAOYSA-N 0 0 344.183 4.994 50 0 EJAARN Cc1noc(C)c1CC(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000030183375 212692152 /nfs/dbraw/zinc/69/21/52/212692152.db2.gz LXCKCNFFVLSBSV-UHFFFAOYSA-N 0 0 330.453 4.507 50 0 EJAARN CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@@H](C)CC ZINC000000260875 209507840 /nfs/dbraw/zinc/50/78/40/209507840.db2.gz WKIVQVHZMJTSOC-HNNXBMFYSA-N 0 0 332.447 4.993 50 0 EJAARN CC(C)CNC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccco1)CC2 ZINC000029565984 212673286 /nfs/dbraw/zinc/67/32/86/212673286.db2.gz CQICFOIDUKOXHM-QINSGFPZSA-N 0 0 346.430 4.700 50 0 EJAARN Cc1cc(C)c(S(=O)(=O)Nc2cccc(Cl)c2Cl)c(C)c1 ZINC000000246322 209502011 /nfs/dbraw/zinc/50/20/11/209502011.db2.gz GYRPZEPQLFTQJH-UHFFFAOYSA-N 0 0 344.263 4.719 50 0 EJAARN CC(C)CNC(=O)C[C@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000000226882 209496593 /nfs/dbraw/zinc/49/65/93/209496593.db2.gz AGSRGDSSSTYNSQ-HXUWFJFHSA-N 0 0 347.458 4.840 50 0 EJAARN Cc1ccc2c(c1)[C@H](S(=O)(=O)c1ccccc1)c1ccccc1O2 ZINC000000209206 209485682 /nfs/dbraw/zinc/48/56/82/209485682.db2.gz OTXKRFSJRJYLCW-HXUWFJFHSA-N 0 0 336.412 4.664 50 0 EJAARN CCOc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000000187419 209471210 /nfs/dbraw/zinc/47/12/10/209471210.db2.gz APAISNBFAVXVTD-UHFFFAOYSA-N 0 0 338.432 4.770 50 0 EJAARN Cc1cc2[nH]c(C(=O)N3CCC(Cc4ccccc4)CC3)cc2c(C)c1 ZINC000000154760 209456780 /nfs/dbraw/zinc/45/67/80/209456780.db2.gz IRGRKPYVXWKOPX-UHFFFAOYSA-N 0 0 346.474 4.880 50 0 EJAARN Cc1ccc(C(=O)Nc2ccc(-c3cn4c(n3)SCC4)cc2)cc1C ZINC000000153700 209456623 /nfs/dbraw/zinc/45/66/23/209456623.db2.gz MQWPJVROAFQUJZ-UHFFFAOYSA-N 0 0 349.459 4.525 50 0 EJAARN Cc1cc(O[C@H](C)C(=O)N[C@@H](C)c2ccccc2)cc(C)c1Cl ZINC000000150816 209454755 /nfs/dbraw/zinc/45/47/55/209454755.db2.gz WVEAECCTPHJIKY-LSDHHAIUSA-N 0 0 331.843 4.602 50 0 EJAARN c1ccc2c(c1)cccc2-c1nnc(-c2ccc3nsnc3c2)o1 ZINC000000156655 209458373 /nfs/dbraw/zinc/45/83/73/209458373.db2.gz RWRANHGQWKHPPK-UHFFFAOYSA-N 0 0 330.372 4.562 50 0 EJAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(OC(C)C)cc1 ZINC000000144381 209447334 /nfs/dbraw/zinc/44/73/34/209447334.db2.gz MUXGAFIHKWNYFG-CQSZACIVSA-N 0 0 347.842 4.842 50 0 EJAARN C[C@H](NC(=O)COc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000000116577 209432198 /nfs/dbraw/zinc/43/21/98/209432198.db2.gz CAVMUFAKBUMLGK-KRWDZBQOSA-N 0 0 331.415 4.610 50 0 EJAARN C[C@@H]1CCc2c(sc(N)c2C(=O)Nc2cccc3ccccc32)C1 ZINC000000127315 209437352 /nfs/dbraw/zinc/43/73/52/209437352.db2.gz OKVAKKACCHSYDD-GFCCVEGCSA-N 0 0 336.460 4.861 50 0 EJAARN CCCc1nn(-c2cc(Cl)ccc2OC)c2c1C(=O)CC(C)(C)C2 ZINC000000107079 209424984 /nfs/dbraw/zinc/42/49/84/209424984.db2.gz IVWWDZVJBBHMPU-UHFFFAOYSA-N 0 0 346.858 4.642 50 0 EJAARN Cc1cnc(NC(=O)c2ccc(CSc3ccccc3)o2)s1 ZINC000028271004 212613412 /nfs/dbraw/zinc/61/34/12/212613412.db2.gz NGRNQQXPEHYLMM-UHFFFAOYSA-N 0 0 330.434 4.589 50 0 EJAARN O=C1CS[C@H](c2cccnc2)N1c1ccc(C2CCCCC2)cc1 ZINC000000100212 209419771 /nfs/dbraw/zinc/41/97/71/209419771.db2.gz IURNCOWZAUZFQF-HXUWFJFHSA-N 0 0 338.476 4.908 50 0 EJAARN O=C(Nc1ccccn1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000000117140 209431330 /nfs/dbraw/zinc/43/13/30/209431330.db2.gz PYPZQSKXCFGIFS-UHFFFAOYSA-N 0 0 325.371 4.549 50 0 EJAARN CC(C)(C)NC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000000115358 209430964 /nfs/dbraw/zinc/43/09/64/209430964.db2.gz VZJQBEURZMGASD-UHFFFAOYSA-N 0 0 342.222 4.694 50 0 EJAARN O=C(COC(=O)c1ccccc1Nc1ccc(F)cc1)c1ccccc1 ZINC000000072675 209401981 /nfs/dbraw/zinc/40/19/81/209401981.db2.gz XRSXAKFSKZABBH-UHFFFAOYSA-N 0 0 349.361 4.609 50 0 EJAARN C[C@H]1CCc2c(sc3ncn4c(nnc4C4CCCCC4)c23)C1 ZINC000000098624 209418480 /nfs/dbraw/zinc/41/84/80/209418480.db2.gz OVQSTBBQVMKGFM-NSHDSACASA-N 0 0 326.469 4.512 50 0 EJAARN CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1Cl ZINC000000093172 209415530 /nfs/dbraw/zinc/41/55/30/209415530.db2.gz YVSOVMSIOCJTNJ-UHFFFAOYSA-N 0 0 343.766 4.515 50 0 EJAARN Cc1c(C)n(C(=O)CSc2nc3ccccc3[nH]2)c2ccccc12 ZINC000000087781 209412614 /nfs/dbraw/zinc/41/26/14/209412614.db2.gz CAPMCIXDPRWVQT-UHFFFAOYSA-N 0 0 335.432 4.567 50 0 aggregator EJAARN CCc1c2cc3c(C)cc(=O)oc3c(C)c2oc1C(=O)c1ccccc1 ZINC000000088200 209411974 /nfs/dbraw/zinc/41/19/74/209411974.db2.gz QMHHVLQQDUYWIG-UHFFFAOYSA-N 0 0 346.382 4.949 50 0 biogenic EJAARN O=C1OC(c2ccccc2)=N/C1=C/c1ccc(-c2ccccc2)cc1 ZINC000000059998 209394700 /nfs/dbraw/zinc/39/47/00/209394700.db2.gz ZDMSZLZFVXBKDU-HMMYKYKNSA-N 0 0 325.367 4.698 50 0 EJAARN Fc1cccc(-c2nnc3ccc4cc(C(F)(F)F)ccc4n32)c1 ZINC000000052661 209391867 /nfs/dbraw/zinc/39/18/67/209391867.db2.gz HRJYLWHJIPJQEP-UHFFFAOYSA-N 0 0 331.272 4.707 50 0 EJAARN COc1c(Cl)cc(Cl)cc1-c1nnc2ccc3ccccc3n21 ZINC000000052865 209391260 /nfs/dbraw/zinc/39/12/60/209391260.db2.gz CXZVPGYQXQZVLQ-UHFFFAOYSA-N 0 0 344.201 4.865 50 0 EJAARN O=C(Nc1ccccc1)Nc1ccc(Br)c(Cl)c1 ZINC000000046411 209389178 /nfs/dbraw/zinc/38/91/78/209389178.db2.gz RPQAFSUOQKXFMS-UHFFFAOYSA-N 0 0 325.593 4.747 50 0 EJAARN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1F ZINC000000046476 209388819 /nfs/dbraw/zinc/38/88/19/209388819.db2.gz JYFXGIKONLHFIA-SNVBAGLBSA-N 0 0 342.197 4.847 50 0 EJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(C)cc1 ZINC000000045583 209388002 /nfs/dbraw/zinc/38/80/02/209388002.db2.gz CXIMXTHSYGUTQJ-UHFFFAOYSA-N 0 0 326.783 4.864 50 0 EJAARN O=c1oc2cc(OCc3ccccc3)c(Cl)cc2c2c1CCCC2 ZINC000000044927 209387617 /nfs/dbraw/zinc/38/76/17/209387617.db2.gz DFWCRCQVNBZPBJ-UHFFFAOYSA-N 0 0 340.806 4.904 50 0 biogenic,in-vitro EJAARN Cc1csc([C@@H](C)Nc2cc(-c3ccccc3)nc3cc(C)nn32)n1 ZINC000072479821 216259174 /nfs/dbraw/zinc/25/91/74/216259174.db2.gz PCYFVKOLAPHMLJ-CQSZACIVSA-N 0 0 349.463 4.643 50 0 EJAARN Cc1ccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)cs2)cc1 ZINC000027562088 212565341 /nfs/dbraw/zinc/56/53/41/212565341.db2.gz NIEOIVBGJFCFDB-UHFFFAOYSA-N 0 0 349.864 4.605 50 0 EJAARN CCOc1ccccc1NC(=O)c1cc(-c2ccc(C)c(C)c2)on1 ZINC000027583554 212568236 /nfs/dbraw/zinc/56/82/36/212568236.db2.gz HNXIRBDMTMQHRQ-UHFFFAOYSA-N 0 0 336.391 4.609 50 0 EJAARN O=C(c1cccc(Cl)c1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000027386407 212554998 /nfs/dbraw/zinc/55/49/98/212554998.db2.gz RKQWXDMEEFEXIA-CQSZACIVSA-N 0 0 340.810 4.501 50 0 EJAARN c1coc(-c2nnc(CN3CCCC[C@@H]3c3cc4ccccc4[nH]3)o2)c1 ZINC000072629204 216284108 /nfs/dbraw/zinc/28/41/08/216284108.db2.gz LMDGWWTZZPCJBC-QGZVFWFLSA-N 0 0 348.406 4.538 50 0 EJAARN Brc1ccc2c(c1)[C@@H]1OCC[C@H]1[C@@H](c1cccs1)N2 ZINC000229893164 201043725 /nfs/dbraw/zinc/04/37/25/201043725.db2.gz WUIPKVXSZJTSSV-NZVBXONLSA-N 0 0 336.254 4.755 50 0 EJAARN Cc1ccc(CC(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)cc1 ZINC000025932782 212502063 /nfs/dbraw/zinc/50/20/63/212502063.db2.gz GOIKTJOWGKRVGS-UHFFFAOYSA-N 0 0 332.403 4.709 50 0 EJAARN CCn1cc(CCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c2ccccc21 ZINC000245276356 201151904 /nfs/dbraw/zinc/15/19/04/201151904.db2.gz UUEIYKAUFAIOMQ-FRQCXROJSA-N 0 0 326.484 4.535 50 0 EJAARN O=C(/C=C/c1cccc(Cl)c1)Nc1nnc(-c2ccccc2)s1 ZINC000025735683 212495559 /nfs/dbraw/zinc/49/55/59/212495559.db2.gz AHIAOLBALWIFOZ-MDZDMXLPSA-N 0 0 341.823 4.510 50 0 EJAARN CCCc1cc(=O)oc2c(C)c(OCc3cccc(OC)c3)ccc12 ZINC000000457601 201357544 /nfs/dbraw/zinc/35/75/44/201357544.db2.gz CNHBTNPOICELRE-UHFFFAOYSA-N 0 0 338.403 4.642 50 0 biogenic EJAARN COc1ccc2c(c1)oc(C)c(-c1ccc(Br)cc1)c2=O ZINC000000465599 201358176 /nfs/dbraw/zinc/35/81/76/201358176.db2.gz AUXPMQAZOGNNKF-UHFFFAOYSA-N 0 0 345.192 4.540 50 0 biogenic EJAARN Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)/C=C\c1ccco1 ZINC000096809505 201377581 /nfs/dbraw/zinc/37/75/81/201377581.db2.gz VNCKFLBKXIARST-QXMHVHEDSA-N 0 0 343.386 4.555 50 0 EJAARN CN(Cc1nc2ccccc2s1)C(=O)/C=C\c1cc2ccccc2o1 ZINC000073695004 216411854 /nfs/dbraw/zinc/41/18/54/216411854.db2.gz LSRSFNIWGMJGTP-KHPPLWFESA-N 0 0 348.427 4.714 50 0 EJAARN CCN(C(=O)c1ccccc1OC)c1nc2cc(Cl)ccc2s1 ZINC000024925040 212448421 /nfs/dbraw/zinc/44/84/21/212448421.db2.gz AZACWJNUZXMXQH-UHFFFAOYSA-N 0 0 346.839 4.625 50 0 EJAARN CSc1ccccc1C(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000024584953 212427455 /nfs/dbraw/zinc/42/74/55/212427455.db2.gz CINJWMIUNUJVEN-ZDUSSCGKSA-N 0 0 329.490 4.940 50 0 EJAARN COc1ccc([C@@H]2CCCCCN2C(=O)c2ccnc(Cl)c2)cc1 ZINC000048332454 202601788 /nfs/dbraw/zinc/60/17/88/202601788.db2.gz ZLHZRDBFEPFATQ-KRWDZBQOSA-N 0 0 344.842 4.501 50 0 EJAARN Clc1cccc(-c2nc(-c3ccccc3Br)no2)c1 ZINC000038537045 213213424 /nfs/dbraw/zinc/21/34/24/213213424.db2.gz OWRHRDZBLZWKSE-UHFFFAOYSA-N 0 0 335.588 4.820 50 0 EJAARN CN(Cc1cccc(Cl)c1Cl)C(=O)c1cc2ccccc2[nH]1 ZINC000023785783 212394219 /nfs/dbraw/zinc/39/42/19/212394219.db2.gz QMIYQQSGAMIEJQ-UHFFFAOYSA-N 0 0 333.218 4.747 50 0 EJAARN c1coc(CN(Cc2cccs2)c2ncnc3sccc32)c1 ZINC000023619518 212385788 /nfs/dbraw/zinc/38/57/88/212385788.db2.gz RPKMMVBTIQFWLU-UHFFFAOYSA-N 0 0 327.434 4.553 50 0 EJAARN O=C1c2cccc3cccc(c23)N1Cc1coc(-c2ccccc2)n1 ZINC000023378168 212371811 /nfs/dbraw/zinc/37/18/11/212371811.db2.gz OCZGYOYKOHXDOV-UHFFFAOYSA-N 0 0 326.355 4.655 50 0 EJAARN O=C(c1ccc(F)cc1)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1 ZINC000023306702 212368286 /nfs/dbraw/zinc/36/82/86/212368286.db2.gz JSGXQDIXWIIGGH-NRFANRHFSA-N 0 0 349.380 4.753 50 0 EJAARN Cc1ccc(C(=O)N2CCc3ccccc3[C@H]2c2ccccc2F)cc1 ZINC000023306616 212368135 /nfs/dbraw/zinc/36/81/35/212368135.db2.gz BZKFQRDUXKTTDB-QFIPXVFZSA-N 0 0 345.417 4.922 50 0 EJAARN C[C@H]1CCN(C(=O)c2cccc3ncccc32)c2ccccc2S1 ZINC000023200045 212359601 /nfs/dbraw/zinc/35/96/01/212359601.db2.gz BOZOZWPSSYVURT-AWEZNQCLSA-N 0 0 334.444 4.766 50 0 EJAARN CCCCNc1cc(C)nc2c(-c3ccccc3)c(C(F)(F)F)nn21 ZINC000023114964 212349459 /nfs/dbraw/zinc/34/94/59/212349459.db2.gz UUUOKYBAYJYJHH-UHFFFAOYSA-N 0 0 348.372 4.936 50 0 EJAARN Cc1csc(NC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)n1 ZINC000023078860 212347218 /nfs/dbraw/zinc/34/72/18/212347218.db2.gz YOBHHRRPMHXERU-UHFFFAOYSA-N 0 0 343.477 4.951 50 0 EJAARN COCc1ccc(C(=O)Nc2nc3c(ccc4ccccc34)s2)cc1 ZINC000023120732 212350395 /nfs/dbraw/zinc/35/03/95/212350395.db2.gz GAHNTKKROAZSQU-UHFFFAOYSA-N 0 0 348.427 4.848 50 0 EJAARN CC(C)(C)CC(C)(C)c1ccc(OCC(=O)Nc2nccs2)cc1 ZINC000000047648 201426409 /nfs/dbraw/zinc/42/64/09/201426409.db2.gz QMYLXDLFRGUKTF-UHFFFAOYSA-N 0 0 346.496 4.874 50 0 EJAARN CC(=O)c1ccccc1NCc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000023004100 212342107 /nfs/dbraw/zinc/34/21/07/212342107.db2.gz GJOJSMHHFDUSLK-UHFFFAOYSA-N 0 0 335.407 4.675 50 0 EJAARN CCOC(=O)c1csc(-c2ccc(OCc3ccccc3)cc2)n1 ZINC000074937988 216538518 /nfs/dbraw/zinc/53/85/18/216538518.db2.gz QUYPUMOEQHJTTM-UHFFFAOYSA-N 0 0 339.416 4.566 50 0 EJAARN C[C@]1(C(=O)Nc2ccccc2N2CCCCCC2)CC1(Cl)Cl ZINC000022900373 212332958 /nfs/dbraw/zinc/33/29/58/212332958.db2.gz UOXDFUMQYVDLPV-MRXNPFEDSA-N 0 0 341.282 4.589 50 0 EJAARN CC(C)=CC(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC000022900482 212332887 /nfs/dbraw/zinc/33/28/87/212332887.db2.gz CUBWUIDUAWRTCQ-UHFFFAOYSA-N 0 0 340.370 4.657 50 0 EJAARN O=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1ccccc1 ZINC000000058605 201427842 /nfs/dbraw/zinc/42/78/42/201427842.db2.gz QYRXJSMRLPXPHS-UHFFFAOYSA-N 0 0 326.355 4.516 50 0 EJAARN Cc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccccc2C)c1 ZINC000000059915 201428171 /nfs/dbraw/zinc/42/81/71/201428171.db2.gz SVXXMMUKZOAHCZ-UHFFFAOYSA-N 0 0 344.414 4.808 50 0 EJAARN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cc2c(cccc2F)s1 ZINC000022882736 212331755 /nfs/dbraw/zinc/33/17/55/212331755.db2.gz XVRQWKPENVCZLD-ZJUUUORDSA-N 0 0 345.361 4.891 50 0 EJAARN CCC(CC)NC(=O)c1cncn1-c1ccc(-c2ccccc2C)cc1 ZINC000022660013 212314265 /nfs/dbraw/zinc/31/42/65/212314265.db2.gz RPNINXKZZYSIFH-UHFFFAOYSA-N 0 0 347.462 4.766 50 0 EJAARN CC[C@@H]1CCCCN1C(=O)c1sc2ccc(OC)cc2c1Cl ZINC000022622982 212312111 /nfs/dbraw/zinc/31/21/11/212312111.db2.gz KUPRNAQEILDMFK-LLVKDONJSA-N 0 0 337.872 4.968 50 0 EJAARN Cc1c(C)n(C(=O)CSc2nc3ccccc3o2)c2ccccc12 ZINC000000087778 201432357 /nfs/dbraw/zinc/43/23/57/201432357.db2.gz KWCXBBJSWBFVOW-UHFFFAOYSA-N 0 0 336.416 4.832 50 0 EJAARN CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccco1 ZINC000000115561 201436286 /nfs/dbraw/zinc/43/62/86/201436286.db2.gz JNWLGNFBOAHIOJ-UHFFFAOYSA-N 0 0 327.453 4.606 50 0 EJAARN Cc1ccccc1Nc1nc(Cl)nc(Nc2ccccc2C)n1 ZINC000000106914 201434828 /nfs/dbraw/zinc/43/48/28/201434828.db2.gz OUERFDZIKTYURG-UHFFFAOYSA-N 0 0 325.803 4.629 50 0 EJAARN C/C=C(\C)C(=O)N1CCc2ccccc2[C@@H]1c1ccccc1Cl ZINC000022348781 212293186 /nfs/dbraw/zinc/29/31/86/212293186.db2.gz ZDUMPNCHEKQOEW-PWEFIFTISA-N 0 0 325.839 4.780 50 0 EJAARN CCN(CC)c1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1 ZINC000000122642 201438224 /nfs/dbraw/zinc/43/82/24/201438224.db2.gz SUNODXREKFOAAO-UHFFFAOYSA-N 0 0 346.858 4.512 50 0 EJAARN CC(C)Cc1ccc(-c2cnc(CCC(=O)N[C@H](C)C(C)C)o2)cc1 ZINC000022316308 212289793 /nfs/dbraw/zinc/28/97/93/212289793.db2.gz XBQWFSXFUGCZDU-MRXNPFEDSA-N 0 0 342.483 4.633 50 0 EJAARN COc1ccc(OCC(=O)NC2CCCCCCCCCCC2)cc1 ZINC000000133411 201438914 /nfs/dbraw/zinc/43/89/14/201438914.db2.gz XXBWPZDQIHQMQG-UHFFFAOYSA-N 0 0 347.499 4.864 50 0 EJAARN O=C(C1CCC1)N1CCC(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000022330918 212291201 /nfs/dbraw/zinc/29/12/01/212291201.db2.gz FIAVNABNRLKZBW-UHFFFAOYSA-N 0 0 333.475 4.935 50 0 EJAARN C/C=C(\C)C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](CCC)C2 ZINC000022325585 212291237 /nfs/dbraw/zinc/29/12/37/212291237.db2.gz ZYSSUMCZBVQTHM-XEVNVYFWSA-N 0 0 349.496 4.735 50 0 EJAARN CCCCCN(C)C(=O)c1cc(-c2ccc(C(C)(C)C)cc2)on1 ZINC000022333131 212291240 /nfs/dbraw/zinc/29/12/40/212291240.db2.gz RWVYXYSSWMOMLX-UHFFFAOYSA-N 0 0 328.456 4.901 50 0 EJAARN O=C(c1cc(Br)ccc1F)N1CCC[C@H]1c1ccccc1 ZINC000022328642 212291256 /nfs/dbraw/zinc/29/12/56/212291256.db2.gz RLESQGQGWQMFDA-INIZCTEOSA-N 0 0 348.215 4.566 50 0 EJAARN O=C(Oc1c(=O)c2ccccc2oc1-c1ccccc1)c1ccccc1 ZINC000000150943 201441250 /nfs/dbraw/zinc/44/12/50/201441250.db2.gz MTHWZCUSVZVBSA-UHFFFAOYSA-N 0 0 342.350 4.679 50 0 EJAARN COc1cc(Cl)c(C)cc1NC(=O)Nc1ccc(Cl)cc1 ZINC000000145432 201441407 /nfs/dbraw/zinc/44/14/07/201441407.db2.gz PCGFVZYTUJZEGM-UHFFFAOYSA-N 0 0 325.195 4.954 50 0 EJAARN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccccc1C ZINC000022245737 212284743 /nfs/dbraw/zinc/28/47/43/212284743.db2.gz PLDZXASBKSXAAS-UHFFFAOYSA-N 0 0 341.411 4.895 50 0 EJAARN Cc1ccc(OCc2coc(-c3cccs3)n2)c2c1[C@@H](C)CC2=O ZINC000022134768 212278773 /nfs/dbraw/zinc/27/87/73/212278773.db2.gz RPLYYBIFJQCKFG-LBPRGKRZSA-N 0 0 339.416 4.980 50 0 EJAARN COc1ccc2oc([C@@H](O)c3c(C)oc4ccc(OC)cc43)cc2c1 ZINC000000195561 201445875 /nfs/dbraw/zinc/44/58/75/201445875.db2.gz HYMWUQDJKXBZTL-HXUWFJFHSA-N 0 0 338.359 4.586 50 0 biogenic EJAARN O=C(/C=C/c1cccs1)N1CCCC[C@H](c2ccc(F)cc2)C1 ZINC000211078018 241077192 /nfs/dbraw/zinc/07/71/92/241077192.db2.gz ASUBWZPUUBZIGV-OFAQMXQXSA-N 0 0 329.440 4.697 50 0 EJAARN CC[C@@H](c1cccnc1)N(C)C(=O)c1[nH]c2c(c1C)c(C)ccc2C ZINC000215168154 241111102 /nfs/dbraw/zinc/11/11/02/241111102.db2.gz AWMAKGYMQFUTHX-KRWDZBQOSA-N 0 0 335.451 4.711 50 0 EJAARN O=C(c1ccc2[nH]ccc2c1)N1CCCC[C@H](c2ccc(F)cc2)C1 ZINC000206671660 241048167 /nfs/dbraw/zinc/04/81/67/241048167.db2.gz CUYSHRNNVBTATO-SFHVURJKSA-N 0 0 336.410 4.717 50 0 EJAARN COc1ccc([C@@H]2CCCCN(C(=O)/C=C/c3ccccc3)C2)cc1 ZINC000208003438 241064701 /nfs/dbraw/zinc/06/47/01/241064701.db2.gz MDYYPEMNGFDLAX-XMUSRXTASA-N 0 0 335.447 4.505 50 0 EJAARN COc1ccc([C@@H]2CCCCN(C(=O)c3ccc(C)c(C)c3)C2)cc1 ZINC000208003101 241065589 /nfs/dbraw/zinc/06/55/89/241065589.db2.gz BYXVNZSPGCZIJO-HXUWFJFHSA-N 0 0 337.463 4.722 50 0 EJAARN CCCCNC(=O)c1cc2occc2c(Nc2ccc(Cl)cc2)n1 ZINC000075436619 216618411 /nfs/dbraw/zinc/61/84/11/216618411.db2.gz YFMKWAYBLPQBJS-UHFFFAOYSA-N 0 0 343.814 4.755 50 0 EJAARN CC(=O)Nc1ccc(C[N@@H+]2CCCCC[C@H]2c2cccc(F)c2)cc1 ZINC000216449922 241192528 /nfs/dbraw/zinc/19/25/28/241192528.db2.gz ROZZFMXOZYNKGM-NRFANRHFSA-N 0 0 340.442 4.901 50 0 EJAARN O=C(Oc1cccc2ccccc21)c1ccc(Br)cc1 ZINC000000353777 201462830 /nfs/dbraw/zinc/46/28/30/201462830.db2.gz ISYRDJAKRUCTIJ-UHFFFAOYSA-N 0 0 327.177 4.822 50 0 EJAARN CCN(C(=S)NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000000359038 201463945 /nfs/dbraw/zinc/46/39/45/201463945.db2.gz QWASZGRVICZXID-UHFFFAOYSA-N 0 0 340.492 4.525 50 0 EJAARN Cc1nn(C(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)c(C)c1Cl ZINC000000356021 201464118 /nfs/dbraw/zinc/46/41/18/201464118.db2.gz TYANIFRHPYEYTJ-CVEARBPZSA-N 0 0 330.859 4.895 50 0 EJAARN Cc1c(C(=O)Oc2cc(C)c(Cl)c(C)c2)cnn1-c1ccccc1 ZINC000000385356 201466888 /nfs/dbraw/zinc/46/68/88/201466888.db2.gz KWDHEBGONAONCB-UHFFFAOYSA-N 0 0 340.810 4.670 50 0 EJAARN CC(C)(C)c1ccc(CN2C(=O)c3ccc4ccccc4c3C2=O)cc1 ZINC000000385842 201466928 /nfs/dbraw/zinc/46/69/28/201466928.db2.gz IFHOVFIRSLWGRQ-UHFFFAOYSA-N 0 0 343.426 4.934 50 0 EJAARN CCc1ccc2oc(-c3ccc(NC(=O)c4ccco4)cc3)nc2c1 ZINC000000298346 201457776 /nfs/dbraw/zinc/45/77/76/201457776.db2.gz FRBVVQZGODWMBA-UHFFFAOYSA-N 0 0 332.359 4.903 50 0 EJAARN CCCn1nc(NC(=O)c2cccc(C)c2)c2cc3ccccc3nc21 ZINC000000527929 201484000 /nfs/dbraw/zinc/48/40/00/201484000.db2.gz ZZRLYOYEZVRKHS-UHFFFAOYSA-N 0 0 344.418 4.555 50 0 EJAARN CCCCc1nc(-c2ccc(OCc3ccnc(Cl)c3)cc2)no1 ZINC000060299390 202779924 /nfs/dbraw/zinc/77/99/24/202779924.db2.gz IAGZFSVWQHBYDC-UHFFFAOYSA-N 0 0 343.814 4.707 50 0 EJAARN CCOc1ccc(C(=O)Nc2cccc3c2CCCC3)cc1OCC ZINC000000618390 201490927 /nfs/dbraw/zinc/49/09/27/201490927.db2.gz RNDGYIILNQXRQT-UHFFFAOYSA-N 0 0 339.435 4.615 50 0 EJAARN O=C(Nc1ccccc1Cl)N1CCS[C@@H](c2ccco2)CC1 ZINC000219432527 241384301 /nfs/dbraw/zinc/38/43/01/241384301.db2.gz CYQIJSFTRKXARV-OAHLLOKOSA-N 0 0 336.844 4.645 50 0 EJAARN Cc1ccc(-c2nc3cc(NC(=O)c4ccco4)ccc3o2)c(C)c1 ZINC000001209732 201500337 /nfs/dbraw/zinc/50/03/37/201500337.db2.gz LEBWMOHSRNWEME-UHFFFAOYSA-N 0 0 332.359 4.957 50 0 EJAARN C[C@H](Sc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000443766 201474973 /nfs/dbraw/zinc/47/49/73/201474973.db2.gz WOLGSTSAZBJSIZ-NSHDSACASA-N 0 0 325.355 4.825 50 0 EJAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc2c1CCCC2 ZINC000000471228 201478527 /nfs/dbraw/zinc/47/85/27/201478527.db2.gz JEOFNDHMKIBDIA-CYBMUJFWSA-N 0 0 329.827 4.625 50 0 EJAARN Clc1ccccc1-c1nc(Cn2cnc3ccccc32)cs1 ZINC000021997310 212268404 /nfs/dbraw/zinc/26/84/04/212268404.db2.gz JOAVLHWDWZRDFY-UHFFFAOYSA-N 0 0 325.824 4.862 50 0 EJAARN Cc1cccc(-c2cc(NC(=O)c3ccco3)n(-c3ccccc3)n2)c1 ZINC000021944831 212265281 /nfs/dbraw/zinc/26/52/81/212265281.db2.gz KSVMZJBJRLNMBU-UHFFFAOYSA-N 0 0 343.386 4.693 50 0 EJAARN O=C(c1cc2ccccc2o1)N1CCS[C@H](c2cccs2)CC1 ZINC000219491233 241390183 /nfs/dbraw/zinc/39/01/83/241390183.db2.gz ZUTUDUMCWYRYAY-KRWDZBQOSA-N 0 0 343.473 4.815 50 0 EJAARN Cc1[nH]c2ccc(C(=O)N(Cc3ccccc3F)C3CC3)cc2c1C ZINC000021934627 212264765 /nfs/dbraw/zinc/26/47/65/212264765.db2.gz PODJZYYREXWILA-UHFFFAOYSA-N 0 0 336.410 4.729 50 0 EJAARN COc1ccccc1-c1cc(NC(=O)CC(C)C)n(-c2ccccc2)n1 ZINC000021944921 212264825 /nfs/dbraw/zinc/26/48/25/212264825.db2.gz SRBCWUMNZCTAON-UHFFFAOYSA-N 0 0 349.434 4.533 50 0 EJAARN COc1ccc(Oc2nc(C)nc3sc4c(c32)CCCC4)cc1 ZINC000021932759 212264129 /nfs/dbraw/zinc/26/41/29/212264129.db2.gz ZMWSXSUBRRRVMB-UHFFFAOYSA-N 0 0 326.421 4.679 50 0 EJAARN COc1c(Cl)cc(C(=O)NCCC2=CCCCC2)cc1Cl ZINC000021898369 212260747 /nfs/dbraw/zinc/26/07/47/212260747.db2.gz WDVVSOOOQGKSDI-UHFFFAOYSA-N 0 0 328.239 4.622 50 0 EJAARN C[C@@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1ccccc1F ZINC000021890644 212260174 /nfs/dbraw/zinc/26/01/74/212260174.db2.gz AZFXEWHCKFMWST-CQSZACIVSA-N 0 0 335.382 4.725 50 0 EJAARN Clc1ccc(-c2nc(CSc3nccn3C3CC3)co2)cc1 ZINC000021831706 212254178 /nfs/dbraw/zinc/25/41/78/212254178.db2.gz QFBOCSFVRKAKPC-UHFFFAOYSA-N 0 0 331.828 4.819 50 0 EJAARN O=C(OCc1ccc(-c2ccccc2)cc1)c1cnc2ccccc2n1 ZINC000021901225 212261324 /nfs/dbraw/zinc/26/13/24/212261324.db2.gz TWAXYJAFGZGTSB-UHFFFAOYSA-N 0 0 340.382 4.654 50 0 EJAARN Cc1ccccc1[C@H]1CCCN1C(=O)c1cc(-c2ccccc2)no1 ZINC000021791081 212250539 /nfs/dbraw/zinc/25/05/39/212250539.db2.gz FOMLDQWWSCJVSX-LJQANCHMSA-N 0 0 332.403 4.627 50 0 EJAARN CCC[C@@H](O)c1nc2ccccc2n1CCCOc1ccccc1C ZINC000021787649 212250267 /nfs/dbraw/zinc/25/02/67/212250267.db2.gz FNYZPLSBXDEQEF-LJQANCHMSA-N 0 0 338.451 4.647 50 0 EJAARN Fc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NC2CC2)cc1 ZINC000021797926 212249747 /nfs/dbraw/zinc/24/97/47/212249747.db2.gz FDGNUUNMNHBJKD-UHFFFAOYSA-N 0 0 344.393 4.801 50 0 EJAARN Cc1ccc(C(=O)Nc2cccc3cccnc32)cc1-n1cccc1 ZINC000010225620 201503466 /nfs/dbraw/zinc/50/34/66/201503466.db2.gz MUFAGSOHAOXLEJ-UHFFFAOYSA-N 0 0 327.387 4.586 50 0 EJAARN O=C(Nc1ccc(Cl)cc1)c1csc(Cc2ccccc2)n1 ZINC000001384025 201505139 /nfs/dbraw/zinc/50/51/39/201505139.db2.gz RJXCWXRVATZHKN-UHFFFAOYSA-N 0 0 328.824 4.640 50 0 EJAARN Cc1cccc(Cn2cnc(SCc3ccc(Cl)cc3)n2)c1 ZINC000001398441 201506422 /nfs/dbraw/zinc/50/64/22/201506422.db2.gz OCOJSQUQOHLHJL-UHFFFAOYSA-N 0 0 329.856 4.581 50 0 EJAARN CCCCOc1ccc([C@@H](C)N[C@H](C)c2cc(C)on2)cc1OC ZINC000225735033 242010912 /nfs/dbraw/zinc/01/09/12/242010912.db2.gz KKXLUBLJXBRZLL-HUUCEWRRSA-N 0 0 332.444 4.582 50 0 EJAARN Cc1ccccc1NC(=O)[C@H](C)Sc1ccc(C(F)(F)F)cn1 ZINC000021637966 212235934 /nfs/dbraw/zinc/23/59/34/212235934.db2.gz PHELVXSPRLJCEE-NSHDSACASA-N 0 0 340.370 4.528 50 0 EJAARN Cc1ccc([C@@H](NC(=O)[C@@]2(C)CC2(Cl)Cl)c2ccccc2)cc1 ZINC000021583938 212232997 /nfs/dbraw/zinc/23/29/97/212232997.db2.gz 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/nfs/dbraw/zinc/54/08/35/201540835.db2.gz MFBJZAWMINCHDD-UHFFFAOYSA-N 0 0 334.419 4.839 50 0 EJAARN Cc1ccc2[nH]c(-c3ccccc3NC(=O)c3cccs3)nc2c1 ZINC000021362569 212222101 /nfs/dbraw/zinc/22/21/01/212222101.db2.gz DPUFCQRKZDDIJZ-UHFFFAOYSA-N 0 0 333.416 4.852 50 0 EJAARN O=C(CCCc1c[nH]c2ccccc12)Nc1cccc2cnccc21 ZINC000021217808 212216977 /nfs/dbraw/zinc/21/69/77/212216977.db2.gz FHDQYRVSGITQNK-UHFFFAOYSA-N 0 0 329.403 4.678 50 0 EJAARN Cc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1Cl ZINC000002999955 201553915 /nfs/dbraw/zinc/55/39/15/201553915.db2.gz SKYZUCAOUMELBE-UHFFFAOYSA-N 0 0 338.632 4.972 50 0 EJAARN O=S(=O)(c1ccccc1)c1ccc2c(c1)Sc1ccccc1N2 ZINC000003065560 201556028 /nfs/dbraw/zinc/55/60/28/201556028.db2.gz UUNLUANMOSPSJL-UHFFFAOYSA-N 0 0 339.441 4.728 50 0 EJAARN Clc1ccc2nc(-c3ccccc3)n(OCc3ccccc3)c2c1 ZINC000003063548 201556185 /nfs/dbraw/zinc/55/61/85/201556185.db2.gz MWYQYLOSAIAEME-UHFFFAOYSA-N 0 0 334.806 4.986 50 0 EJAARN O=C(Nc1ccccc1)c1nnsc1Sc1ccc(Cl)cc1 ZINC000003105578 201556687 /nfs/dbraw/zinc/55/66/87/201556687.db2.gz ZODVCOFPPLXXLI-UHFFFAOYSA-N 0 0 347.852 4.595 50 0 EJAARN C/C=C/c1ccc(OCCCCn2cnc3ccccc32)c(OC)c1 ZINC000002868388 201549342 /nfs/dbraw/zinc/54/93/42/201549342.db2.gz PBEQJRYCXKAJRV-FPYGCLRLSA-N 0 0 336.435 4.937 50 0 EJAARN C[C@@H](OC(=O)c1cc(F)cc(F)c1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000003422262 201571273 /nfs/dbraw/zinc/57/12/73/201571273.db2.gz LSYSKSDFGIUWOW-GFCCVEGCSA-N 0 0 346.373 4.691 50 0 EJAARN O=C(Nc1cccc(F)c1)c1ccc2c(c1)noc2-c1ccccc1 ZINC000021096244 212205814 /nfs/dbraw/zinc/20/58/14/212205814.db2.gz OKNNPCIWOHDUEG-UHFFFAOYSA-N 0 0 332.334 4.886 50 0 EJAARN Cc1ccc(Cl)cc1NC(=O)NCCc1csc2c1CCCC2 ZINC000021088146 212204611 /nfs/dbraw/zinc/20/46/11/212204611.db2.gz VBHRJOMPCSNKHG-UHFFFAOYSA-N 0 0 348.899 4.953 50 0 EJAARN COc1cccc2c1OC1(CCCCC1)N1N=C(c3ccccc3)C[C@@H]21 ZINC000003904762 201584696 /nfs/dbraw/zinc/58/46/96/201584696.db2.gz LSXYGERBKOCNMW-IBGZPJMESA-N 0 0 348.446 4.899 50 0 EJAARN Cc1ccc2n1CCN(C(=O)Nc1ccc(F)c(Cl)c1)[C@@H]2C(C)C 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Cc1cccc(Nc2nc(C(=O)N(C)C3CCCCC3)cs2)c1 ZINC000004688465 201612102 /nfs/dbraw/zinc/61/21/02/201612102.db2.gz MFVPBRQLMXUPBU-UHFFFAOYSA-N 0 0 329.469 4.600 50 0 EJAARN CCc1ccc(NC(=O)C[C@@H](c2cccc(OC)c2)n2cccc2)cc1 ZINC000020998370 212197683 /nfs/dbraw/zinc/19/76/83/212197683.db2.gz GFRNVPOJMJHLIU-NRFANRHFSA-N 0 0 348.446 4.677 50 0 EJAARN O=C(C[C@@H](c1ccc(F)cc1)n1cccc1)Nc1ccc(F)cc1F ZINC000020997692 212195681 /nfs/dbraw/zinc/19/56/81/212195681.db2.gz VCFPNFMPKAMMMS-SFHVURJKSA-N 0 0 344.336 4.524 50 0 EJAARN CCc1ccccc1N[C@@H]1c2ccccc2C(=O)N1c1cc(C)ccn1 ZINC000004900194 201625530 /nfs/dbraw/zinc/62/55/30/201625530.db2.gz HADPDUHYLFHZAY-NRFANRHFSA-N 0 0 343.430 4.724 50 0 EJAARN O=c1ccc2cc3c(cc2o1)occ3-c1ccc(Br)cc1 ZINC000004540397 201606175 /nfs/dbraw/zinc/60/61/75/201606175.db2.gz OEQHAYMXMZPWPK-UHFFFAOYSA-N 0 0 341.160 4.969 50 0 biogenic EJAARN O=C(NCc1ccco1)c1cc2c(s1)c1ccccc1nc2Cl ZINC000004938175 201628117 /nfs/dbraw/zinc/62/81/17/201628117.db2.gz QJUPQYYDKBMXOT-UHFFFAOYSA-N 0 0 342.807 4.626 50 0 EJAARN CCCN(CCC)C(=O)c1oc2ccccc2c1NC(=O)C(C)(C)C ZINC000020942548 212191977 /nfs/dbraw/zinc/19/19/77/212191977.db2.gz GWPJVWBRXMVOSP-UHFFFAOYSA-N 0 0 344.455 4.680 50 0 EJAARN Cc1sc2c(c1C)CSC(C(=O)NC[C@@H](C)c1ccccc1)=C2 ZINC000020931159 212190506 /nfs/dbraw/zinc/19/05/06/212190506.db2.gz PRTKONJFLUHFRN-GFCCVEGCSA-N 0 0 343.517 4.873 50 0 EJAARN O=C(C1=Cc2sc3c(c2CS1)CCCC3)N1CCCCCC1 ZINC000020931472 212190184 /nfs/dbraw/zinc/19/01/84/212190184.db2.gz RVUHIWWYFNXWBJ-UHFFFAOYSA-N 0 0 333.522 4.617 50 0 EJAARN CN(C(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccc(F)cc1 ZINC000005051198 201635586 /nfs/dbraw/zinc/63/55/86/201635586.db2.gz FWQBVEVINHQQSC-UHFFFAOYSA-N 0 0 339.391 4.723 50 0 EJAARN Clc1cccc(-c2nnc3sc(-c4ccccc4Cl)nn32)c1 ZINC000005099395 201639531 /nfs/dbraw/zinc/63/95/31/201639531.db2.gz MHYFLESLXJKPSE-UHFFFAOYSA-N 0 0 347.230 4.827 50 0 EJAARN C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCc2ccccc2C1 ZINC000020962623 212193232 /nfs/dbraw/zinc/19/32/32/212193232.db2.gz 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50 0 EJAARN O=C(NC1CCCCCCC1)c1ccc(OCc2cscn2)cc1 ZINC000015634000 211836000 /nfs/dbraw/zinc/83/60/00/211836000.db2.gz TWYUHUNPLMRSRC-UHFFFAOYSA-N 0 0 344.480 4.565 50 0 EJAARN O=C(Nc1nc(-c2cccs2)cs1)c1cccc(F)c1Cl ZINC000080159334 217283746 /nfs/dbraw/zinc/28/37/46/217283746.db2.gz IRQKPMXJGWNULM-UHFFFAOYSA-N 0 0 338.816 4.916 50 0 EJAARN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Oc1cccc(C)c1C ZINC000015366689 211820251 /nfs/dbraw/zinc/82/02/51/211820251.db2.gz SLLBBNGKVPOPLP-AWEZNQCLSA-N 0 0 347.842 4.680 50 0 EJAARN COc1cccc(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c1 ZINC000080344192 217298943 /nfs/dbraw/zinc/29/89/43/217298943.db2.gz FIUJWLSCJVWIRW-HZPDHXFCSA-N 0 0 336.218 4.744 50 0 EJAARN COC(=O)c1nc(-c2ccc(C)cc2)oc1SCc1ccccc1 ZINC000080346129 217298998 /nfs/dbraw/zinc/29/89/98/217298998.db2.gz RNYMVRZWIKPYPA-UHFFFAOYSA-N 0 0 339.416 4.729 50 0 EJAARN Cc1ccc(C(=O)c2sc3nc(C)c4c(c3c2N)CCCC4)cc1 ZINC000000218516 205422119 /nfs/dbraw/zinc/42/21/19/205422119.db2.gz WAXQYSDPFWDXLW-UHFFFAOYSA-N 0 0 336.460 4.605 50 0 EJAARN C[C@H](NC(=O)COc1ccc2ccccc2c1)c1cc2ccccc2o1 ZINC000015040228 211792078 /nfs/dbraw/zinc/79/20/78/211792078.db2.gz SGKOWZUHAMHVEA-HNNXBMFYSA-N 0 0 345.398 4.842 50 0 EJAARN C[C@H]1C[C@H](c2nc(-c3cccc(Br)c3)cs2)CCO1 ZINC000000497078 205473999 /nfs/dbraw/zinc/47/39/99/205473999.db2.gz YNLILRFUBKENFI-CMPLNLGQSA-N 0 0 338.270 4.855 50 0 EJAARN Cc1csc([C@H](C)N(C)Cc2nc(-c3cccs3)oc2C)n1 ZINC000014958300 211778357 /nfs/dbraw/zinc/77/83/57/211778357.db2.gz HLPUBCIIOJGKGL-NSHDSACASA-N 0 0 333.482 4.669 50 0 EJAARN CC[C@H](C)N1C(=O)S/C(=C\c2cccn2-c2ccccc2C)C1=O ZINC000000981125 205572228 /nfs/dbraw/zinc/57/22/28/205572228.db2.gz HVFJEJVAAYHYEK-VMOJBDSFSA-N 0 0 340.448 4.621 50 0 EJAARN O=C(Nc1ccccc1)c1ccccc1OC[C@H]1CC1(Cl)Cl ZINC000014858065 211769012 /nfs/dbraw/zinc/76/90/12/211769012.db2.gz KXMOXPCQIQDYLG-GFCCVEGCSA-N 0 0 336.218 4.512 50 0 EJAARN O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCCC[C@@H]1c1cccnc1 ZINC000004000504 205668827 /nfs/dbraw/zinc/66/88/27/205668827.db2.gz QKORLSWPVRPZBR-GOSISDBHSA-N 0 0 339.826 4.584 50 0 biogenic EJAARN C[C@H](O)c1cccc(NC(=O)CC(c2ccccc2)c2ccccc2)c1 ZINC000004666590 205724311 /nfs/dbraw/zinc/72/43/11/205724311.db2.gz LLRQRPRKCYLCFX-KRWDZBQOSA-N 0 0 345.442 4.901 50 0 EJAARN Fc1ccccc1CSc1nc(C2CC2)n(-c2ccccc2)n1 ZINC000008074817 205843910 /nfs/dbraw/zinc/84/39/10/205843910.db2.gz PWJBPVQMHZZNQF-UHFFFAOYSA-N 0 0 325.412 4.576 50 0 EJAARN C[C@H](c1ccc(Br)cc1)N(C(=O)OC(C)(C)C)C1CC1 ZINC000145995116 223722250 /nfs/dbraw/zinc/72/22/50/223722250.db2.gz JJYALZMUDZLOEN-LLVKDONJSA-N 0 0 340.261 4.910 50 0 EJAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccccc1F ZINC000014137771 211689634 /nfs/dbraw/zinc/68/96/34/211689634.db2.gz LNIAWEVLNJYOTH-NSHDSACASA-N 0 0 329.400 4.660 50 0 EJAARN O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(F)cc1Cl ZINC000014095238 211681088 /nfs/dbraw/zinc/68/10/88/211681088.db2.gz XLSMEPKVXZSDAJ-UHFFFAOYSA-N 0 0 332.787 4.855 50 0 EJAARN O=C(Nc1cccc2c1CCCC2)c1ccc(Br)cc1 ZINC000000210100 206209586 /nfs/dbraw/zinc/20/95/86/206209586.db2.gz CPYRFFODLIAVTL-UHFFFAOYSA-N 0 0 330.225 4.580 50 0 EJAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2cccc(F)c2)o1 ZINC000000934699 206256244 /nfs/dbraw/zinc/25/62/44/206256244.db2.gz JEGPZCQKPPPDBE-NQIIRXRSSA-N 0 0 348.377 4.969 50 0 EJAARN Cc1cc2cc(CNC(=S)Nc3ccc(C)cc3C)ccc2n1C ZINC000013878787 211653284 /nfs/dbraw/zinc/65/32/84/211653284.db2.gz QXUCIIVALVRQND-UHFFFAOYSA-N 0 0 337.492 4.590 50 0 EJAARN COc1cccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)c1 ZINC000001319329 206273451 /nfs/dbraw/zinc/27/34/51/206273451.db2.gz ZWFACHSZQCZGDM-UHFFFAOYSA-N 0 0 346.430 4.930 50 0 EJAARN Cc1c(C)n(C2CCCCCC2)c2ncn3nc(-c4ccco4)nc3c12 ZINC000013629042 211594741 /nfs/dbraw/zinc/59/47/41/211594741.db2.gz OKZNMTJRUVMBGV-UHFFFAOYSA-N 0 0 349.438 4.851 50 0 EJAARN CCOc1ccc(NC(=S)Nc2ccccc2C2(C)CC2)cc1 ZINC000013520039 211570970 /nfs/dbraw/zinc/57/09/70/211570970.db2.gz PLFBGNURODFHKR-UHFFFAOYSA-N 0 0 326.465 4.946 50 0 EJAARN Cc1ccc(NC(=O)N2CCC(Cc3ccccc3)CC2)cc1F ZINC000013320306 211543688 /nfs/dbraw/zinc/54/36/88/211543688.db2.gz CIABHYMGGLHRSP-UHFFFAOYSA-N 0 0 326.415 4.621 50 0 EJAARN O=C(Nc1ccc(Br)cc1)[C@@H]1CCCc2ccccc21 ZINC000013015046 211513930 /nfs/dbraw/zinc/51/39/30/211513930.db2.gz LXJQHVFCFPGCPN-MRXNPFEDSA-N 0 0 330.225 4.508 50 0 EJAARN O=C(Nc1ccccc1Br)c1ccc2ccccc2c1 ZINC000002679042 206411989 /nfs/dbraw/zinc/41/19/89/206411989.db2.gz CXPULWFDBKXBAF-UHFFFAOYSA-N 0 0 326.193 4.855 50 0 EJAARN CCCCN(C)C(=O)c1ccc(-c2nnc(-c3ccccc3C)o2)cc1 ZINC000013010851 211511542 /nfs/dbraw/zinc/51/15/42/211511542.db2.gz ZQKNQOBLXYXNRV-UHFFFAOYSA-N 0 0 349.434 4.584 50 0 EJAARN O=C(c1ccco1)N(CCc1ccccc1)c1nc2ccccc2s1 ZINC000013002921 211508074 /nfs/dbraw/zinc/50/80/74/211508074.db2.gz YGCOQQWAENFUDE-UHFFFAOYSA-N 0 0 348.427 4.779 50 0 EJAARN COc1ccc(NC(=O)c2ccccc2F)cc1Cc1ccccc1 ZINC000012996463 211503221 /nfs/dbraw/zinc/50/32/21/211503221.db2.gz CYQCPJJQLQDBLO-UHFFFAOYSA-N 0 0 335.378 4.677 50 0 EJAARN O=C(Nc1ccc(F)cc1)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000012987216 211501552 /nfs/dbraw/zinc/50/15/52/211501552.db2.gz LPFYMQLGHDVMKZ-AWEZNQCLSA-N 0 0 336.819 4.838 50 0 EJAARN Cc1cc(SCc2nnc(-c3ccccc3)o2)nc2ccccc12 ZINC000012970683 211494633 /nfs/dbraw/zinc/49/46/33/211494633.db2.gz HDJRHOFDBIZILP-UHFFFAOYSA-N 0 0 333.416 4.886 50 0 EJAARN Cc1nc2ccccc2nc1NC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000170593760 206580380 /nfs/dbraw/zinc/58/03/80/206580380.db2.gz NAHQSVSQWIZWNM-YLJYHZDGSA-N 0 0 333.435 4.518 50 0 EJAARN C[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000012947533 211491887 /nfs/dbraw/zinc/49/18/87/211491887.db2.gz AAVRHBDEERLXEG-XIKOKIGWSA-N 0 0 347.817 4.514 50 0 EJAARN Cc1[nH]c2ccc(C(=O)Nc3ccnn3C3CCCCC3)cc2c1C ZINC000012940157 211490321 /nfs/dbraw/zinc/49/03/21/211490321.db2.gz YQIDZQJVMHNOJV-UHFFFAOYSA-N 0 0 336.439 4.739 50 0 EJAARN CC(C)CCC(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000012857289 211471495 /nfs/dbraw/zinc/47/14/95/211471495.db2.gz YGVIFWDPBHXYGN-UHFFFAOYSA-N 0 0 340.254 4.613 50 0 EJAARN CN(Cc1ccccc1)C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000012818207 211465363 /nfs/dbraw/zinc/46/53/63/211465363.db2.gz XAEQSHUQSZZEDK-UHFFFAOYSA-N 0 0 342.851 4.736 50 0 EJAARN O=C(/C=C/c1ccco1)Nc1ccccc1SCC(F)(F)F ZINC000012800525 211460074 /nfs/dbraw/zinc/46/00/74/211460074.db2.gz HTKFQYCHUJPKDE-BQYQJAHWSA-N 0 0 327.327 4.586 50 0 EJAARN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Nc1ccc2c(c1)CCC2 ZINC000012765959 211449322 /nfs/dbraw/zinc/44/93/22/211449322.db2.gz ZHCQCXBAWKGOPM-CYBMUJFWSA-N 0 0 328.843 4.576 50 0 EJAARN O=C(c1csc(-c2ccsc2)n1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000012751893 211445336 /nfs/dbraw/zinc/44/53/36/211445336.db2.gz LXTOMDZFDXCGNQ-CHWSQXEVSA-N 0 0 332.494 4.524 50 0 EJAARN CCc1cccc(C)c1NC(=O)c1occc1COc1ccccc1 ZINC000012620097 211425173 /nfs/dbraw/zinc/42/51/73/211425173.db2.gz LEJURACYVXMJNZ-UHFFFAOYSA-N 0 0 335.403 4.982 50 0 EJAARN COc1ccc(-c2nnc(S[C@@H](C)c3ccccc3)o2)c(OC)c1 ZINC000012620973 211424273 /nfs/dbraw/zinc/42/42/73/211424273.db2.gz XLKNJJHJOSTFSO-LBPRGKRZSA-N 0 0 342.420 4.607 50 0 EJAARN Cc1oc(-c2ccccc2C)nc1CN(C)[C@H](C)c1nccs1 ZINC000012470653 211390556 /nfs/dbraw/zinc/39/05/56/211390556.db2.gz ACNXYSWFROXMEH-CYBMUJFWSA-N 0 0 327.453 4.608 50 0 EJAARN c1cc2c(ncnc2N2CCCC[C@H]2c2cc3ccccc3[nH]2)s1 ZINC000089872994 217867594 /nfs/dbraw/zinc/86/75/94/217867594.db2.gz BVCFTBPLQLGAFO-KRWDZBQOSA-N 0 0 334.448 4.904 50 0 EJAARN O=C1C[C@@H](c2ccc(OCc3ccccc3)cc2)c2sccc2N1 ZINC000012376534 211360601 /nfs/dbraw/zinc/36/06/01/211360601.db2.gz ZJDOFYUECICHLF-KRWDZBQOSA-N 0 0 335.428 4.801 50 0 EJAARN c1s/c(=N\c2ccccn2)n(-c2ccccc2)c1-c1ccccc1 ZINC000012377006 211359797 /nfs/dbraw/zinc/35/97/97/211359797.db2.gz BGNASZIXFGBEIC-XDOYNYLZSA-N 0 0 329.428 4.833 50 0 EJAARN COc1ccc([C@H]2CC(=O)c3c(nccc3-c3ccccc3)C2)cc1 ZINC000012420628 211375308 /nfs/dbraw/zinc/37/53/08/211375308.db2.gz FJWBJUVJUCBRPK-QGZVFWFLSA-N 0 0 329.399 4.670 50 0 EJAARN CCCCNC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000012404137 211368965 /nfs/dbraw/zinc/36/89/65/211368965.db2.gz OXQCMGSNVYSAQX-UHFFFAOYSA-N 0 0 345.830 4.514 50 0 EJAARN Cc1oc(-c2ccccc2)nc1COC(=O)c1cc2c(s1)CCC2 ZINC000012240099 211328708 /nfs/dbraw/zinc/32/87/08/211328708.db2.gz UDZZLQHWMMIDJH-UHFFFAOYSA-N 0 0 339.416 4.557 50 0 EJAARN COc1ccc(NC(=O)c2ccccc2C)cc1Cc1ccccc1 ZINC000012041371 211282880 /nfs/dbraw/zinc/28/28/80/211282880.db2.gz MITIASIATYERIN-UHFFFAOYSA-N 0 0 331.415 4.847 50 0 EJAARN O=C(N(Cc1ccccc1Cl)C1CC1)C1(c2ccc(F)cc2)CC1 ZINC000091270120 217988734 /nfs/dbraw/zinc/98/87/34/217988734.db2.gz RKNSTHPCKSNWOM-UHFFFAOYSA-N 0 0 343.829 4.702 50 0 EJAARN Cc1ccccc1NC(=O)[C@H](C)Sc1cc(-c2ccccc2)ncn1 ZINC000012016735 211279328 /nfs/dbraw/zinc/27/93/28/211279328.db2.gz LLZIYSPCFYXGCJ-HNNXBMFYSA-N 0 0 349.459 4.571 50 0 EJAARN CC(C)(C)c1ccc(-n2ncc3c2CCC[C@@H]3NCc2ccco2)cc1 ZINC000012003234 211279088 /nfs/dbraw/zinc/27/90/88/211279088.db2.gz JKVRAPCWLHSUQM-FQEVSTJZSA-N 0 0 349.478 4.930 50 0 EJAARN COc1cccc2c(C)cc3nnc(SCc4ccc(C)cc4)n3c12 ZINC000011903240 211264067 /nfs/dbraw/zinc/26/40/67/211264067.db2.gz WAUHYMCGCDRMGM-UHFFFAOYSA-N 0 0 349.459 4.800 50 0 EJAARN O=C(Nc1cc(-c2ccc(F)c(F)c2)no1)c1ccccc1Cl ZINC000011914845 211268540 /nfs/dbraw/zinc/26/85/40/211268540.db2.gz OUCLYCOMSNCJEC-UHFFFAOYSA-N 0 0 334.709 4.526 50 0 EJAARN COc1ccc(N(Cc2cccs2)C(=O)c2ccccc2F)cc1 ZINC000011916511 211268627 /nfs/dbraw/zinc/26/86/27/211268627.db2.gz GBYLYEDRLLDLSS-UHFFFAOYSA-N 0 0 341.407 4.743 50 0 EJAARN Cc1c2ccccc2oc1C(=O)Nc1nc(-c2cccs2)ns1 ZINC000011914369 211268339 /nfs/dbraw/zinc/26/83/39/211268339.db2.gz ZENGEKIRTGHBNF-UHFFFAOYSA-N 0 0 341.417 4.574 50 0 EJAARN CCOc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 ZINC000011915685 211267419 /nfs/dbraw/zinc/26/74/19/211267419.db2.gz SLWGCGWIMHPROW-UHFFFAOYSA-N 0 0 342.782 4.646 50 0 EJAARN COCCC[C@H]1CCCN(C(=O)c2cc(Cl)c(C)c(Cl)c2)C1 ZINC000091503989 218013689 /nfs/dbraw/zinc/01/36/89/218013689.db2.gz WHZKEONSFAPNNN-CYBMUJFWSA-N 0 0 344.282 4.581 50 0 EJAARN CCOc1ccc2oc(C)c(C(=O)Nc3cc(C)ccc3OC)c2c1 ZINC000011866436 211261034 /nfs/dbraw/zinc/26/10/34/211261034.db2.gz GZHDFUNGMBBDNP-UHFFFAOYSA-N 0 0 339.391 4.709 50 0 EJAARN Cc1ccsc1C(=O)[C@H]1CCCN(Cc2ccc(O)c(Cl)c2)C1 ZINC000011814956 211249105 /nfs/dbraw/zinc/24/91/05/211249105.db2.gz SYXFLAFOSAZFMP-AWEZNQCLSA-N 0 0 349.883 4.510 50 0 EJAARN CCC[C@H](O)c1nc2ccccc2n1CCCOc1ccc(C)cc1 ZINC000011692509 211235650 /nfs/dbraw/zinc/23/56/50/211235650.db2.gz GOVKXLZYSHFCQM-FQEVSTJZSA-N 0 0 338.451 4.647 50 0 EJAARN Cc1[nH]c2c(cccc2C(=O)N2CCC[C@@H](Nc3ccccc3)C2)c1C ZINC000011666527 211231961 /nfs/dbraw/zinc/23/19/61/211231961.db2.gz ACOYPMDQNLHHSR-GOSISDBHSA-N 0 0 347.462 4.501 50 0 EJAARN CCOc1ccccc1NC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000011658179 211229696 /nfs/dbraw/zinc/22/96/96/211229696.db2.gz AFHBIXFIGAVJIR-UHFFFAOYSA-N 0 0 343.382 4.549 50 0 EJAARN COc1ccc(-c2csc(NC(=O)C3CCC3)n2)c2ccccc12 ZINC000011449098 211218065 /nfs/dbraw/zinc/21/80/65/211218065.db2.gz NDMGVPRDMOLYNC-UHFFFAOYSA-N 0 0 338.432 4.711 50 0 EJAARN O=C(NCCCCOc1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000011079382 211202246 /nfs/dbraw/zinc/20/22/46/211202246.db2.gz NAPUSVCTUDXWJZ-UHFFFAOYSA-N 0 0 338.234 4.582 50 0 EJAARN O=C(NCc1ccccc1OC(F)F)Nc1cccc2ccccc21 ZINC000011008503 211200599 /nfs/dbraw/zinc/20/05/99/211200599.db2.gz HOVNHJXKKPBCRE-UHFFFAOYSA-N 0 0 342.345 4.763 50 0 EJAARN CCCn1c(C)cc(-c2csc(NC(=O)c3occc3C)n2)c1C ZINC000010942516 211196672 /nfs/dbraw/zinc/19/66/72/211196672.db2.gz LHZLSUUGSUILSG-UHFFFAOYSA-N 0 0 343.452 4.792 50 0 EJAARN Cc1ccc(C(C)C)c(OCC(=O)N2CCc3sccc3[C@H]2C)c1 ZINC000010695455 211186864 /nfs/dbraw/zinc/18/68/64/211186864.db2.gz BVEUAIZOEXDKKP-OAHLLOKOSA-N 0 0 343.492 4.705 50 0 EJAARN Cc1nc(-c2cccs2)sc1C(=O)NCc1ccc(F)c(C)c1 ZINC000010552097 211181191 /nfs/dbraw/zinc/18/11/91/211181191.db2.gz IWNGPTAZDILBPF-UHFFFAOYSA-N 0 0 346.452 4.558 50 0 EJAARN CC(C)c1ccc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000010451622 211174520 /nfs/dbraw/zinc/17/45/20/211174520.db2.gz RZVAZGPJKHOALX-FQEVSTJZSA-N 0 0 339.435 4.620 50 0 EJAARN O=C(CCc1ccccc1Cl)Nc1ccccc1Br ZINC000010457783 211174137 /nfs/dbraw/zinc/17/41/37/211174137.db2.gz JZPAQFDZUURAJE-UHFFFAOYSA-N 0 0 338.632 4.674 50 0 EJAARN O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC[C@H](C(F)(F)F)C1 ZINC000010287655 211161590 /nfs/dbraw/zinc/16/15/90/211161590.db2.gz GQISVZLUDZENDE-LBPRGKRZSA-N 0 0 341.304 4.500 50 0 EJAARN CSc1ccc(CC(=O)Nc2ccc3nc(C)sc3c2)cc1 ZINC000010252239 211157409 /nfs/dbraw/zinc/15/74/09/211157409.db2.gz MTOJZCIUVGUZPM-UHFFFAOYSA-N 0 0 328.462 4.508 50 0 EJAARN O=C(NCC1(c2ccccc2)CCC1)c1ccc(Cl)cc1Cl ZINC000010221300 211154676 /nfs/dbraw/zinc/15/46/76/211154676.db2.gz MXTVAXZJQGIDAE-UHFFFAOYSA-N 0 0 334.246 4.845 50 0 EJAARN Cc1nc(Nc2ccccc2)nc2c1C(=O)C[C@@H](c1cccs1)C2 ZINC000010156564 211152126 /nfs/dbraw/zinc/15/21/26/211152126.db2.gz BFIXVZVZAAEJMT-ZDUSSCGKSA-N 0 0 335.432 4.503 50 0 EJAARN CCc1ccc(Nc2nc(C)c3c(n2)C[C@H](c2ccco2)CC3=O)cc1 ZINC000010156878 211151909 /nfs/dbraw/zinc/15/19/09/211151909.db2.gz IPDZYTVVQPXDRH-HNNXBMFYSA-N 0 0 347.418 4.597 50 0 EJAARN Cc1ccc(Nc2ncc3c(n2)C[C@H](c2ccc(C)cc2)CC3=O)cc1 ZINC000010156572 211151616 /nfs/dbraw/zinc/15/16/16/211151616.db2.gz AVGPSGDDMURDIT-KRWDZBQOSA-N 0 0 343.430 4.750 50 0 EJAARN CCc1ccc(Nc2nc(C)c3c(n2)C[C@@H](c2ccco2)CC3=O)cc1 ZINC000010156879 211151636 /nfs/dbraw/zinc/15/16/36/211151636.db2.gz IPDZYTVVQPXDRH-OAHLLOKOSA-N 0 0 347.418 4.597 50 0 EJAARN Cc1cccc(Nc2nc(C)c3c(n2)C[C@H](c2cccs2)CC3=O)c1 ZINC000010156882 211151309 /nfs/dbraw/zinc/15/13/09/211151309.db2.gz YWKIKMHAZXDGRF-AWEZNQCLSA-N 0 0 349.459 4.811 50 0 EJAARN O=C(Cc1ccc(Cl)s1)Nc1ccc2c3c(cccc31)CC2 ZINC000010061073 211145365 /nfs/dbraw/zinc/14/53/65/211145365.db2.gz GMFPRAJZLDOVDF-UHFFFAOYSA-N 0 0 327.836 4.835 50 0 EJAARN O=C(C1CCCCC1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000009833741 211126644 /nfs/dbraw/zinc/12/66/44/211126644.db2.gz YMKMGLGWQOZEMX-OAQYLSRUSA-N 0 0 332.447 4.945 50 0 EJAARN CC(C)c1ccc(NC(=O)C[C@@H](C)CC(=O)NC2CCCCC2)cc1 ZINC000009805740 211124193 /nfs/dbraw/zinc/12/41/93/211124193.db2.gz NUOOCYOKOWYWPZ-INIZCTEOSA-N 0 0 344.499 4.614 50 0 EJAARN Cc1ccccc1CN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000009758077 211122169 /nfs/dbraw/zinc/12/21/69/211122169.db2.gz RLEPAJRORUOAPF-LJQANCHMSA-N 0 0 342.870 4.941 50 0 EJAARN Cc1ccc(CN(C)C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000009758084 211122271 /nfs/dbraw/zinc/12/22/71/211122271.db2.gz OMVIBPNNDMJAND-IBGZPJMESA-N 0 0 342.870 4.941 50 0 EJAARN CN(Cc1ccccc1Cl)C(=O)Nc1nc2ccccc2s1 ZINC000009711323 211118142 /nfs/dbraw/zinc/11/81/42/211118142.db2.gz UDIUBCYHCJVKKK-UHFFFAOYSA-N 0 0 331.828 4.614 50 0 EJAARN Cc1ccc2[nH]c(-c3ccc(NC(=O)c4ccccc4F)cc3)nc2c1 ZINC000009668753 211113752 /nfs/dbraw/zinc/11/37/52/211113752.db2.gz RJDUPKMIVSVHPR-UHFFFAOYSA-N 0 0 345.377 4.930 50 0 EJAARN CC(=O)Nc1ccc2c(=O)cc(-c3ccc(C(C)(C)C)cc3)oc2c1 ZINC000009660285 211112401 /nfs/dbraw/zinc/11/24/01/211112401.db2.gz FZJFFNFNOJIEOB-UHFFFAOYSA-N 0 0 335.403 4.716 50 0 biogenic EJAARN CC(C)CNC(=O)[C@@H](C)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 ZINC000009547995 211101761 /nfs/dbraw/zinc/10/17/61/211101761.db2.gz CZVHTUAPZNBQBZ-LBPRGKRZSA-N 0 0 328.843 4.850 50 0 EJAARN CCOCc1c2ccccc2oc1C(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000009592018 211105939 /nfs/dbraw/zinc/10/59/39/211105939.db2.gz RCTSMESYSJZFNP-YJBOKZPZSA-N 0 0 341.451 4.764 50 0 EJAARN COc1ccccc1[C@@H](C)NC(=O)c1cc(C2CC2)nc2ccccc21 ZINC000009514865 211095757 /nfs/dbraw/zinc/09/57/57/211095757.db2.gz GEMBXOXDBLEPTD-CQSZACIVSA-N 0 0 346.430 4.612 50 0 EJAARN O=C(CCC1CCCC1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000009514135 211095110 /nfs/dbraw/zinc/09/51/10/211095110.db2.gz LIQBHLJFFIZLEJ-INIZCTEOSA-N 0 0 328.481 4.930 50 0 EJAARN Cc1ccc2n1CCN(C(=O)Nc1cccc(C)c1C)[C@H]2C(C)C ZINC000009528328 211098814 /nfs/dbraw/zinc/09/88/14/211098814.db2.gz DNLZHIKYRMPMIK-IBGZPJMESA-N 0 0 325.456 4.658 50 0 EJAARN Cc1ccc(-c2onc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000009528979 211098850 /nfs/dbraw/zinc/09/88/50/211098850.db2.gz WTBNGWFFKDXZNZ-UHFFFAOYSA-N 0 0 334.419 4.866 50 0 EJAARN Cc1cccc(-c2ocnc2C(=O)Nc2cccc(Cl)c2C)c1 ZINC000009527348 211098256 /nfs/dbraw/zinc/09/82/56/211098256.db2.gz BYVZMJOATQXBCS-UHFFFAOYSA-N 0 0 326.783 4.864 50 0 EJAARN Cc1ccc(NC(=O)N2CCn3cccc3[C@@H]2C(C)C)cc1Cl ZINC000009528262 211098112 /nfs/dbraw/zinc/09/81/12/211098112.db2.gz SCKUCZFBZVMCQS-KRWDZBQOSA-N 0 0 331.847 4.695 50 0 EJAARN Cc1ccc2nc3sc(C(=O)NCc4cccs4)cc3cc2c1 ZINC000009528702 211097952 /nfs/dbraw/zinc/09/79/52/211097952.db2.gz XIUPGZDROGNCAJ-UHFFFAOYSA-N 0 0 338.457 4.749 50 0 EJAARN CCCCn1nc(NC(=O)C(C)(C)C)c2cc3ccc(C)cc3nc21 ZINC000009328254 211069530 /nfs/dbraw/zinc/06/95/30/211069530.db2.gz JDXLDZSERBZERC-UHFFFAOYSA-N 0 0 338.455 4.678 50 0 EJAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc(C)cs2)cc1 ZINC000009305153 211062615 /nfs/dbraw/zinc/06/26/15/211062615.db2.gz AAUHHFWGMVBEBO-IBGZPJMESA-N 0 0 349.459 4.816 50 0 EJAARN CCc1nc(CNc2ccc(Cl)c(Br)c2)cs1 ZINC000094670360 218268638 /nfs/dbraw/zinc/26/86/38/218268638.db2.gz ZNTCCIQXFKHHRB-UHFFFAOYSA-N 0 0 331.666 4.734 50 0 EJAARN CC(C)C(=O)Nc1ccc(NC(=O)CCc2ccccc2Cl)cc1 ZINC000009230568 211056136 /nfs/dbraw/zinc/05/61/36/211056136.db2.gz ICEVJZDJTIOTQD-UHFFFAOYSA-N 0 0 344.842 4.506 50 0 EJAARN CC(C)C(=O)Nc1cccc(NC(=O)Nc2ccc(Cl)cc2)c1 ZINC000009231674 211056237 /nfs/dbraw/zinc/05/62/37/211056237.db2.gz CIKNYPBWQCBCCA-UHFFFAOYSA-N 0 0 331.803 4.579 50 0 EJAARN CCC1=Nc2ccccc2N=C(NC(=O)C2CC2)[C@@H]1c1ccccc1 ZINC000009183886 211049344 /nfs/dbraw/zinc/04/93/44/211049344.db2.gz YXSYGAJQAYAFLT-LJQANCHMSA-N 0 0 331.419 4.523 50 0 EJAARN C[C@@H](C(=O)Nc1nccs1)c1ccc(-c2ccccc2)c(F)c1 ZINC000009184211 211049288 /nfs/dbraw/zinc/04/92/88/211049288.db2.gz SUSSVWYDIMXGGI-GFCCVEGCSA-N 0 0 326.396 4.691 50 0 EJAARN C[C@@H](OC(=O)c1cccc2ncccc21)c1nc2ccccc2s1 ZINC000095348590 218283091 /nfs/dbraw/zinc/28/30/91/218283091.db2.gz RRDINGQAUVLICL-GFCCVEGCSA-N 0 0 334.400 4.763 50 0 EJAARN C[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)c1ccccc1 ZINC000009052950 211033929 /nfs/dbraw/zinc/03/39/29/211033929.db2.gz CMZCHAYVRDJCHW-CQSZACIVSA-N 0 0 347.443 4.578 50 0 EJAARN CCC(=O)N([C@H](c1ccc(OC)cc1)C(C)C)[C@@H]1CCOC(C)(C)C1 ZINC000009049210 211034068 /nfs/dbraw/zinc/03/40/68/211034068.db2.gz KHZRESOVCBXIDW-XLIONFOSSA-N 0 0 347.499 4.589 50 0 EJAARN Cc1c(Cl)cc(C(=O)N(C)[C@@H](C)c2cncs2)cc1Cl ZINC000095364179 218297266 /nfs/dbraw/zinc/29/72/66/218297266.db2.gz JYRCHNBDRFASFM-VIFPVBQESA-N 0 0 329.252 4.592 50 0 EJAARN COc1ccc(N[C@H](C)c2nc(-c3ccccc3)no2)cc1Cl ZINC000008920090 211018599 /nfs/dbraw/zinc/01/85/99/211018599.db2.gz NXFMSETUUOWLEE-LLVKDONJSA-N 0 0 329.787 4.572 50 0 EJAARN CCCOc1ccc(C(=O)Nc2cc(-c3ccc(C)cc3)no2)cc1 ZINC000008915735 211016845 /nfs/dbraw/zinc/01/68/45/211016845.db2.gz SYTKXXPUEIJVLY-UHFFFAOYSA-N 0 0 336.391 4.691 50 0 EJAARN O=C(CCc1ccc(-c2ccc(Cl)cc2)o1)Nc1nccs1 ZINC000008843825 211010795 /nfs/dbraw/zinc/01/07/95/211010795.db2.gz QJBHXNCWLRPYBP-UHFFFAOYSA-N 0 0 332.812 4.628 50 0 EJAARN Cc1c(Cl)cc(C(=O)N2CCC[C@@H]2c2cccnc2)cc1Cl ZINC000095387605 218319910 /nfs/dbraw/zinc/31/99/10/218319910.db2.gz JACCGJGQDYPEII-MRXNPFEDSA-N 0 0 335.234 4.674 50 0 EJAARN Fc1ccc(CNC(=S)Nc2ccc(Cl)cc2Cl)cc1 ZINC000008829722 211009328 /nfs/dbraw/zinc/00/93/28/211009328.db2.gz SLFQSHPJROKIJW-UHFFFAOYSA-N 0 0 329.227 4.619 50 0 EJAARN Cc1c(Cl)cccc1NC(=S)NCc1ccccc1Cl ZINC000008830246 211009471 /nfs/dbraw/zinc/00/94/71/211009471.db2.gz JWEFANVNEHLLDH-UHFFFAOYSA-N 0 0 325.264 4.788 50 0 EJAARN Cc1ccc2oc(C(=O)NC(c3ccccc3)c3ccccc3)cc2n1 ZINC000008798543 211008048 /nfs/dbraw/zinc/00/80/48/211008048.db2.gz RVVIDUCIIKKDNS-UHFFFAOYSA-N 0 0 342.398 4.656 50 0 EJAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2ccc(C)cc2C)c1C ZINC000008851557 211011876 /nfs/dbraw/zinc/01/18/76/211011876.db2.gz KUFHQLPGOJYLHZ-HNNXBMFYSA-N 0 0 329.465 4.814 50 0 EJAARN CCc1cc2c(ncnc2N2CCCC[C@@H]2c2nc(C)cs2)s1 ZINC000095393665 218325425 /nfs/dbraw/zinc/32/54/25/218325425.db2.gz RWCHLQWHCODNIJ-CQSZACIVSA-N 0 0 344.509 4.750 50 0 EJAARN Cc1cccc(NC(=O)c2ccc(C3SCCCS3)cc2)n1 ZINC000008747517 210998079 /nfs/dbraw/zinc/99/80/79/210998079.db2.gz FFSQJRYBXOVVHQ-UHFFFAOYSA-N 0 0 330.478 4.511 50 0 EJAARN CC[C@@H]1CCCCN1C(=S)Nc1ccc(SC(F)F)cc1 ZINC000008692206 210982093 /nfs/dbraw/zinc/98/20/93/210982093.db2.gz YQWOXKDXMBLRCK-GFCCVEGCSA-N 0 0 330.469 4.963 50 0 EJAARN C[C@H](c1ccccn1)N(C(=O)c1ccc(-c2cscn2)cc1)C1CC1 ZINC000095410103 218347069 /nfs/dbraw/zinc/34/70/69/218347069.db2.gz RWKLMCZFEVXPEV-CQSZACIVSA-N 0 0 349.459 4.571 50 0 EJAARN Cc1ccc(/C=C/C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC000008673455 210979321 /nfs/dbraw/zinc/97/93/21/210979321.db2.gz CMAFKOZTXYXWLP-ZHACJKMWSA-N 0 0 346.430 4.556 50 0 EJAARN CC(C)CCNC(=O)Cn1c(-c2cccs2)cc2cc(F)ccc21 ZINC000008590075 210970245 /nfs/dbraw/zinc/97/02/45/210970245.db2.gz SQZFCBZLFUWXCR-UHFFFAOYSA-N 0 0 344.455 4.671 50 0 EJAARN Cc1nnc([C@H](C)S[C@H](C)c2ccccc2Br)o1 ZINC000095412902 218350255 /nfs/dbraw/zinc/35/02/55/218350255.db2.gz VMTLCEWCDNUSDX-BDAKNGLRSA-N 0 0 327.247 4.696 50 0 EJAARN C[C@@H]1CCN(C(=O)/C=C/c2ccc(F)cc2)c2ccccc2S1 ZINC000008489250 210957947 /nfs/dbraw/zinc/95/79/47/210957947.db2.gz KCKAIPRBAGGXCT-BMGYJQCNSA-N 0 0 327.424 4.756 50 0 EJAARN Fc1cccc(-n2ccnc2SCc2nc3ccccc3s2)c1 ZINC000008483658 210957707 /nfs/dbraw/zinc/95/77/07/210957707.db2.gz LHWNPEAAYHXNMO-UHFFFAOYSA-N 0 0 341.436 4.913 50 0 EJAARN O=[S@](Cc1cccc(NCc2cccc(O)c2)c1)C1CCCCC1 ZINC000095429126 218372177 /nfs/dbraw/zinc/37/21/77/218372177.db2.gz PKYUYBGFXQHFSK-DEOSSOPVSA-N 0 0 343.492 4.586 50 0 EJAARN c1ccc(-c2ccc(CSc3nnc4n3CCCCC4)cc2)cc1 ZINC000008427850 210950635 /nfs/dbraw/zinc/95/06/35/210950635.db2.gz ARUPNDGIZJGFLS-UHFFFAOYSA-N 0 0 335.476 4.964 50 0 EJAARN CCCN(C(=O)Nc1cnn(Cc2ccccc2)c1)C1CCCCC1 ZINC000095454982 218398050 /nfs/dbraw/zinc/39/80/50/218398050.db2.gz VTYZVRHQPLDNJD-UHFFFAOYSA-N 0 0 340.471 4.508 50 0 EJAARN Fc1cc(Br)ccc1OCc1cc(-c2ccccc2)on1 ZINC000008222265 210913972 /nfs/dbraw/zinc/91/39/72/210913972.db2.gz AIOPAWWXZJEFBW-UHFFFAOYSA-N 0 0 348.171 4.822 50 0 EJAARN Cc1cccc(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)c1 ZINC000008115198 210895696 /nfs/dbraw/zinc/89/56/96/210895696.db2.gz IWTYHRULZKDDRU-HXUWFJFHSA-N 0 0 333.456 4.844 50 0 EJAARN O=C(c1cc(C2CC2)nc2ccccc21)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000008095389 210895049 /nfs/dbraw/zinc/89/50/49/210895049.db2.gz DPSAIWDJHIMADS-NVXWUHKLSA-N 0 0 334.463 4.765 50 0 EJAARN O=C(c1ccsc1)N1CCS[C@@H](c2ccccc2Cl)CC1 ZINC000206994517 206920630 /nfs/dbraw/zinc/92/06/30/206920630.db2.gz AZYCIVWGAPAJMP-OAHLLOKOSA-N 0 0 337.897 4.722 50 0 EJAARN O=C(CCc1ccc(-c2ccccc2)o1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000007980274 210874346 /nfs/dbraw/zinc/87/43/46/210874346.db2.gz LZIRJKRXAAUVDB-MJGOQNOKSA-N 0 0 337.463 4.918 50 0 EJAARN Cc1ccc2nc(-c3ccccc3)c(NC(=O)[C@@H]3CC=CCC3)n2c1 ZINC000007990634 210878460 /nfs/dbraw/zinc/87/84/60/210878460.db2.gz CMQZCCTVJHEXFW-QGZVFWFLSA-N 0 0 331.419 4.605 50 0 EJAARN O=C(Nc1ccccc1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000007990756 210877699 /nfs/dbraw/zinc/87/76/99/210877699.db2.gz BUINAGFYUDODKM-KRWDZBQOSA-N 0 0 326.396 4.798 50 0 EJAARN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1ccc(C)cc1C ZINC000007699806 210834370 /nfs/dbraw/zinc/83/43/70/210834370.db2.gz WSVISILGSGXIMD-YBEGLDIGSA-N 0 0 336.460 4.636 50 0 EJAARN CCCCc1ccc(NC(=O)CSCc2c(C)noc2C)cc1 ZINC000007735697 210839317 /nfs/dbraw/zinc/83/93/17/210839317.db2.gz DIUMWZOROQCVHQ-UHFFFAOYSA-N 0 0 332.469 4.506 50 0 EJAARN COc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3C)no2)cc1 ZINC000007616111 210820352 /nfs/dbraw/zinc/82/03/52/210820352.db2.gz HXTZFVRQOYYCPV-UHFFFAOYSA-N 0 0 342.782 4.564 50 0 EJAARN COc1cc(Cl)c(C)cc1NC(=O)c1ccc(COC(C)C)cc1 ZINC000007525918 210811202 /nfs/dbraw/zinc/81/12/02/210811202.db2.gz LQIBZISQHQNJER-UHFFFAOYSA-N 0 0 347.842 4.834 50 0 EJAARN C[C@H](NC(=S)Nc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000007520719 210809378 /nfs/dbraw/zinc/80/93/78/210809378.db2.gz HFBYYXYBSOUTJL-UHSVVUDUSA-N 0 0 332.488 4.717 50 0 EJAARN COc1ccc(-c2nc3ncccn3c2Nc2ccc(C)c(C)c2)cc1 ZINC000007499025 210807637 /nfs/dbraw/zinc/80/76/37/210807637.db2.gz PJKJJUJACAMVTD-UHFFFAOYSA-N 0 0 344.418 4.765 50 0 EJAARN COc1ccc(C)cc1NC(=O)c1sc(-c2ccsc2)nc1C ZINC000007404400 210794691 /nfs/dbraw/zinc/79/46/91/210794691.db2.gz ODDKCNBYWJBCRP-UHFFFAOYSA-N 0 0 344.461 4.749 50 0 EJAARN CC(=O)c1ccc(NC(=O)CSCc2ccc(C(C)C)cc2)cc1 ZINC000007150894 210762930 /nfs/dbraw/zinc/76/29/30/210762930.db2.gz UDUZMRHIFWLACI-UHFFFAOYSA-N 0 0 341.476 4.885 50 0 EJAARN Cc1cc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)c(C)s2)c(C)o1 ZINC000006994068 210753404 /nfs/dbraw/zinc/75/34/04/210753404.db2.gz YYDJOKJTXVFSIW-UHFFFAOYSA-N 0 0 348.374 4.859 50 0 EJAARN CCn1c2ccccc2nc1SCC(=O)c1c[nH]c2ccccc12 ZINC000006908137 210740589 /nfs/dbraw/zinc/74/05/89/210740589.db2.gz QSDPKFBYJNSWLL-UHFFFAOYSA-N 0 0 335.432 4.513 50 0 EJAARN CCn1c2cc(C)ccc2c(C[NH2+]C2CCCCCCC2)c1C(=O)[O-] ZINC000006795238 210714335 /nfs/dbraw/zinc/71/43/35/210714335.db2.gz DMSOGPHWLQQMRO-UHFFFAOYSA-N 0 0 342.483 4.870 50 0 EJAARN CCN(CC)c1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000006831228 210724984 /nfs/dbraw/zinc/72/49/84/210724984.db2.gz QIMWTMWCMNZSGR-UHFFFAOYSA-N 0 0 326.440 4.572 50 0 EJAARN CN(C)c1ccc(NC(=O)c2cccnc2Sc2ccccc2)cc1 ZINC000006784525 210709977 /nfs/dbraw/zinc/70/99/77/210709977.db2.gz DFQUMLAYIFMHLE-UHFFFAOYSA-N 0 0 349.459 4.551 50 0 EJAARN COc1cccc(-c2nc(COc3cc(C)c(Cl)c(C)c3)no2)c1 ZINC000006747912 210700873 /nfs/dbraw/zinc/70/08/73/210700873.db2.gz CDZKEMBXTUJMHE-UHFFFAOYSA-N 0 0 344.798 4.594 50 0 EJAARN CC(C)c1ccc(/C=C/c2nn3c(nnc3-c3ccncc3)s2)cc1 ZINC000006668087 210675225 /nfs/dbraw/zinc/67/52/25/210675225.db2.gz XMKCFHPDIDGXBZ-VMPITWQZSA-N 0 0 347.447 4.542 50 0 EJAARN N=c1oc2ccc(Cl)cc2cc1C(=O)Nc1cccc2ccccc21 ZINC000006584224 210658155 /nfs/dbraw/zinc/65/81/55/210658155.db2.gz AFZVMJUGNNUXRD-UHFFFAOYSA-N 0 0 348.789 4.971 50 0 EJAARN Cc1cc(=O)oc2c1ccc1c2[C@@H](c2ccc(C(C)C)cc2)CC(=O)O1 ZINC000096221738 218698144 /nfs/dbraw/zinc/69/81/44/218698144.db2.gz AWOIXPBHMYXUGE-QGZVFWFLSA-N 0 0 348.398 4.666 50 0 biogenic EJAARN CC1=C(C)[C@H](c2cn(C)c3ccccc23)N(CCc2ccccc2)C1=O ZINC000006417386 210631261 /nfs/dbraw/zinc/63/12/61/210631261.db2.gz NSMLPKZBRTVFBX-JOCHJYFZSA-N 0 0 344.458 4.641 50 0 EJAARN COc1ccc(-c2nc(NC(=O)c3cccc(C)c3)sc2C)cc1 ZINC000006216830 210601893 /nfs/dbraw/zinc/60/18/93/210601893.db2.gz NTXTVGPRWPIPNC-UHFFFAOYSA-N 0 0 338.432 4.688 50 0 EJAARN O=C(NCCCn1ccc2ccccc21)c1cccc(Cl)c1Cl ZINC000012517232 207162227 /nfs/dbraw/zinc/16/22/27/207162227.db2.gz ZTOPNPBFZXEOPB-UHFFFAOYSA-N 0 0 347.245 4.768 50 0 EJAARN C[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1nc2ccccc2[nH]1 ZINC000012681340 207185102 /nfs/dbraw/zinc/18/51/02/207185102.db2.gz RMCXOBDDGIQNJY-SECBINFHSA-N 0 0 349.221 4.752 50 0 EJAARN Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccc(N(C)C)cc1 ZINC000005935166 210562448 /nfs/dbraw/zinc/56/24/48/210562448.db2.gz FVYVYDHDIHWNLP-UHFFFAOYSA-N 0 0 346.858 4.512 50 0 EJAARN Cc1ccc(-c2cc(COC(=O)c3cc4ccccc4o3)no2)cc1 ZINC000012725589 207243350 /nfs/dbraw/zinc/24/33/50/207243350.db2.gz PTIQSCPEMZGPKO-UHFFFAOYSA-N 0 0 333.343 4.753 50 0 EJAARN CN(Cc1cccc(Cl)c1)C(=O)c1csc(-c2ccccc2)n1 ZINC000013006842 207273157 /nfs/dbraw/zinc/27/31/57/207273157.db2.gz AYABHYPQKMCDLW-UHFFFAOYSA-N 0 0 342.851 4.736 50 0 EJAARN CC[C@H](Nc1ccc(CN2CCCC2=O)cc1)c1ccc(F)cc1 ZINC000096415081 218772805 /nfs/dbraw/zinc/77/28/05/218772805.db2.gz KCHWJMDSZQJARM-IBGZPJMESA-N 0 0 326.415 4.511 50 0 EJAARN CCc1ccc([C@@H](C)NC(=O)c2ccccc2Br)cc1 ZINC000013329794 207372789 /nfs/dbraw/zinc/37/27/89/207372789.db2.gz CTRRGPVPJIAVOQ-GFCCVEGCSA-N 0 0 332.241 4.503 50 0 EJAARN CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2c(C)cc(C)cc2C)c1 ZINC000005787043 210536363 /nfs/dbraw/zinc/53/63/63/210536363.db2.gz UWWRMQRUEFSBPA-MRXNPFEDSA-N 0 0 341.476 4.934 50 0 EJAARN Cc1cc(F)ccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000005617665 210502082 /nfs/dbraw/zinc/50/20/82/210502082.db2.gz SWFOKJYUFPKLLR-SNVBAGLBSA-N 0 0 342.197 4.847 50 0 EJAARN O=C(Nc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000005558211 210488943 /nfs/dbraw/zinc/48/89/43/210488943.db2.gz RBSGMSPPHGRRJO-UHFFFAOYSA-N 0 0 339.398 4.792 50 0 EJAARN Cc1c(C)c(=O)oc2c(C)c(OCc3cccc(Cl)c3)ccc12 ZINC000005548200 210486628 /nfs/dbraw/zinc/48/66/28/210486628.db2.gz MNERWUGSGQKLPW-UHFFFAOYSA-N 0 0 328.795 4.951 50 0 EJAARN Cc1ccc(NC(=O)COc2ccc3c(c2)[nH]c2ccccc23)cc1 ZINC000005498115 210475714 /nfs/dbraw/zinc/47/57/14/210475714.db2.gz HOEFPWUBFCNFNZ-UHFFFAOYSA-N 0 0 330.387 4.647 50 0 EJAARN C[C@H](NC(=O)C[C@@H](c1ccco1)c1ccc(F)cc1)c1ccccc1 ZINC000005478418 210470967 /nfs/dbraw/zinc/47/09/67/210470967.db2.gz MMNJAEVCVXIQDG-HNAYVOBHSA-N 0 0 337.394 4.818 50 0 EJAARN O=C(Nc1c[nH]c2ccccc12)Nc1ccc(OC(F)(F)F)cc1 ZINC000005299948 210435513 /nfs/dbraw/zinc/43/55/13/210435513.db2.gz XRBSVCFHAKHSNU-UHFFFAOYSA-N 0 0 335.285 4.711 50 0 EJAARN COc1ccc(/C=C\c2noc(C)c2NC(=O)c2ccc(C)cc2)cc1 ZINC000096936946 218902846 /nfs/dbraw/zinc/90/28/46/218902846.db2.gz ABUSCMARQLPBLJ-JYRVWZFOSA-N 0 0 348.402 4.723 50 0 EJAARN COc1ccc(OC)c(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1 ZINC000005383817 210453679 /nfs/dbraw/zinc/45/36/79/210453679.db2.gz BMSVBAQSPSMFCY-MDWZMJQESA-N 0 0 339.435 4.653 50 0 EJAARN Cc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2ccc(F)cc2)cc1 ZINC000005256420 210426098 /nfs/dbraw/zinc/42/60/98/210426098.db2.gz AQJRYHXPHCPRFW-HXUWFJFHSA-N 0 0 349.409 4.573 50 0 EJAARN Cc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2cccc(C)c2)cc1 ZINC000005256419 210425461 /nfs/dbraw/zinc/42/54/61/210425461.db2.gz DHIRDMPFLQWYLJ-NRFANRHFSA-N 0 0 345.446 4.742 50 0 EJAARN CSc1ccc(CNc2ccc(Cl)c(C[S@@](C)=O)c2)cc1 ZINC000097084927 218946248 /nfs/dbraw/zinc/94/62/48/218946248.db2.gz UPHZBOYAFFWACZ-NRFANRHFSA-N 0 0 339.913 4.553 50 0 EJAARN O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccncc1 ZINC000005073155 210384965 /nfs/dbraw/zinc/38/49/65/210384965.db2.gz GHVCIFQAFWRAGH-UHFFFAOYSA-N 0 0 331.400 4.611 50 0 EJAARN CC(C)(C)CC(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000005137269 210397894 /nfs/dbraw/zinc/39/78/94/210397894.db2.gz IQXSHYIZAMPSOT-UHFFFAOYSA-N 0 0 336.888 4.558 50 0 EJAARN Cc1ccc(/C=C/c2nc(-c3ccccc3O)n(-c3ccccc3)n2)o1 ZINC000005059480 210378170 /nfs/dbraw/zinc/37/81/70/210378170.db2.gz OFDHAJPRXHFCMB-BUHFOSPRSA-N 0 0 343.386 4.712 50 0 EJAARN Cc1ccc(C)c(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 ZINC000005050778 210375663 /nfs/dbraw/zinc/37/56/63/210375663.db2.gz OLTNDLPIMXTHRH-UHFFFAOYSA-N 0 0 344.414 4.808 50 0 EJAARN CC(=O)Oc1ccc(-c2csc(Nc3ccccc3F)n2)cc1 ZINC000005064171 210379446 /nfs/dbraw/zinc/37/94/46/210379446.db2.gz VVUZSEZQDOGLFW-UHFFFAOYSA-N 0 0 328.368 4.618 50 0 EJAARN Cc1cc(C)cc(NC(=O)c2ccccc2NC(=O)c2ccccc2)c1 ZINC000005050248 210374120 /nfs/dbraw/zinc/37/41/20/210374120.db2.gz HJQMKDMSWUIXFY-UHFFFAOYSA-N 0 0 344.414 4.808 50 0 EJAARN COc1ccc(NC(=O)Nc2ccc(C)c(Cl)c2)cc1Cl ZINC000005041792 210373173 /nfs/dbraw/zinc/37/31/73/210373173.db2.gz JBYPEONESZEDAJ-UHFFFAOYSA-N 0 0 325.195 4.954 50 0 EJAARN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C(C)C)cc1 ZINC000005035533 210370180 /nfs/dbraw/zinc/37/01/80/210370180.db2.gz GJCZATDQAYJTSU-UHFFFAOYSA-N 0 0 336.391 4.588 50 0 EJAARN O=C(Nc1ccccc1F)c1ccc2noc(-c3ccccc3)c2c1 ZINC000005034753 210370040 /nfs/dbraw/zinc/37/00/40/210370040.db2.gz ZCPVCXFVCFVPDH-UHFFFAOYSA-N 0 0 332.334 4.886 50 0 EJAARN Cc1occc1-c1nnc2sc(/C=C/c3ccc(Cl)cc3)nn21 ZINC000005032100 210368667 /nfs/dbraw/zinc/36/86/67/210368667.db2.gz WGSCHCDFJAKKJJ-QPJJXVBHSA-N 0 0 342.811 4.578 50 0 EJAARN CC(C)COc1cccc(C(=O)Nc2ccccc2N2CCCC2)c1 ZINC000005024578 210365865 /nfs/dbraw/zinc/36/58/65/210365865.db2.gz AHEGJTALSPMCSN-UHFFFAOYSA-N 0 0 338.451 4.574 50 0 EJAARN COc1ccc(-c2noc(C(c3ccccc3)c3ccccc3)n2)cc1 ZINC000005045831 210374239 /nfs/dbraw/zinc/37/42/39/210374239.db2.gz AAKWSWPHVXXYQL-UHFFFAOYSA-N 0 0 342.398 4.925 50 0 EJAARN Cc1cccc2c1-c1sc(C(=O)N3CCCC[C@H]3C)cc1CO2 ZINC000005048175 210374270 /nfs/dbraw/zinc/37/42/70/210374270.db2.gz MGDZDDKGOWGCTI-CYBMUJFWSA-N 0 0 327.449 4.631 50 0 EJAARN Cc1cccc(N2C(=O)S/C(=C/c3ccccc3Cl)C2=O)c1 ZINC000005019106 210364200 /nfs/dbraw/zinc/36/42/00/210364200.db2.gz OSTGWCACQQUELV-XNTDXEJSSA-N 0 0 329.808 4.889 50 0 EJAARN O=c1sc2ccccc2n1Cc1ccccc1OCc1ccccc1 ZINC000005014117 210361579 /nfs/dbraw/zinc/36/15/79/210361579.db2.gz QOZVYYZUMYQEJF-UHFFFAOYSA-N 0 0 347.439 4.690 50 0 EJAARN CCSc1ccccc1-c1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000004982972 210347877 /nfs/dbraw/zinc/34/78/77/210347877.db2.gz XZNOBNCXUIORNA-UHFFFAOYSA-N 0 0 342.420 4.533 50 0 EJAARN Cn1c(C(=O)Nc2ccc(Cl)cc2Cl)cc2sccc21 ZINC000004971182 210343277 /nfs/dbraw/zinc/34/32/77/210343277.db2.gz HRMWAMFGCCBGRR-UHFFFAOYSA-N 0 0 325.220 4.799 50 0 EJAARN O=C(CCC1CCCCC1)Nc1ccc(-c2cn3cccnc3n2)cc1 ZINC000004950099 210337182 /nfs/dbraw/zinc/33/71/82/210337182.db2.gz GWQRFUIJEXMLGG-UHFFFAOYSA-N 0 0 348.450 4.695 50 0 EJAARN Cc1occc1-c1nnc2sc(-c3ccc4ccccc4c3)nn21 ZINC000004938947 210329555 /nfs/dbraw/zinc/32/95/55/210329555.db2.gz BIEQDJZKPOXOHE-UHFFFAOYSA-N 0 0 332.388 4.574 50 0 EJAARN CCOC(=O)Cn1c(C)c(Sc2ccccc2)c2ccccc21 ZINC000000036662 208554299 /nfs/dbraw/zinc/55/42/99/208554299.db2.gz LQILIJFIMCMLLR-UHFFFAOYSA-N 0 0 325.433 4.664 50 0 EJAARN Cc1cc(C)n(-c2nc3ccccc3nc2Nc2ccc(F)cc2C)n1 ZINC000004928353 210325160 /nfs/dbraw/zinc/32/51/60/210325160.db2.gz STHFIZKRMAVQFI-UHFFFAOYSA-N 0 0 347.397 4.623 50 0 EJAARN Cc1ccc(N2C(=O)c3ccccc3[C@@H]2Nc2cccc(C)c2C)nc1 ZINC000004916656 210321972 /nfs/dbraw/zinc/32/19/72/210321972.db2.gz HHJZWQZONXQRMU-OAQYLSRUSA-N 0 0 343.430 4.778 50 0 EJAARN CCc1ccc(OCCCn2c3ccccc3nc2[C@@H](O)CC)cc1 ZINC000004911240 210321268 /nfs/dbraw/zinc/32/12/68/210321268.db2.gz YNWWOYWTDBHQHP-FQEVSTJZSA-N 0 0 338.451 4.511 50 0 EJAARN Cc1ccc([C@H]2CC(=O)Nc3cc(C)c(C)cc32)cc1Br ZINC000004912336 210320597 /nfs/dbraw/zinc/32/05/97/210320597.db2.gz RKRNPIKBOSLFJU-CQSZACIVSA-N 0 0 344.252 4.848 50 0 EJAARN Cc1ccccc1-c1nnc(NC(=O)Nc2cccc(Cl)c2)s1 ZINC000004900599 210316221 /nfs/dbraw/zinc/31/62/21/210316221.db2.gz FLOSGJIVKNNPEE-UHFFFAOYSA-N 0 0 344.827 4.811 50 0 EJAARN O=C(NC(=S)Nc1ccc2oc3ccccc3c2c1)c1ccccc1 ZINC000004892149 210314482 /nfs/dbraw/zinc/31/44/82/210314482.db2.gz OXJPFSAPCSSIOO-UHFFFAOYSA-N 0 0 346.411 4.713 50 0 EJAARN S=C1NC2(CCCCCC2)N=C1c1ccc(Cl)c(Cl)c1 ZINC000004891105 210312536 /nfs/dbraw/zinc/31/25/36/210312536.db2.gz QXYIVCXUHONMQL-UHFFFAOYSA-N 0 0 327.280 4.764 50 0 EJAARN CC(=O)c1cccc(NC(=O)Cc2coc3cc(C)c(Cl)cc23)c1 ZINC000004858518 210302791 /nfs/dbraw/zinc/30/27/91/210302791.db2.gz AGHJUJHRZRZIGI-UHFFFAOYSA-N 0 0 341.794 4.778 50 0 EJAARN Cc1cccc(NC(=O)N2CCn3cccc3[C@H]2c2ccccc2F)c1 ZINC000004854269 210302148 /nfs/dbraw/zinc/30/21/48/210302148.db2.gz ZKTWVUOOSCPDMT-HXUWFJFHSA-N 0 0 349.409 4.573 50 0 EJAARN Cc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(C)cc2)cc1 ZINC000004854536 210302028 /nfs/dbraw/zinc/30/20/28/210302028.db2.gz DLHYOBQEWUWQAZ-NRFANRHFSA-N 0 0 345.446 4.742 50 0 EJAARN Cc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccccc2F)cc1 ZINC000004854273 210302068 /nfs/dbraw/zinc/30/20/68/210302068.db2.gz FAPYISIJHMBQLX-HXUWFJFHSA-N 0 0 349.409 4.573 50 0 EJAARN Cc1cccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccccc2F)c1 ZINC000004854267 210301454 /nfs/dbraw/zinc/30/14/54/210301454.db2.gz ZKTWVUOOSCPDMT-FQEVSTJZSA-N 0 0 349.409 4.573 50 0 EJAARN CCC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccccc1Cl ZINC000004860105 210305438 /nfs/dbraw/zinc/30/54/38/210305438.db2.gz INPFPAFMIHQCHI-GOSISDBHSA-N 0 0 326.827 4.736 50 0 EJAARN COc1cc(Cl)c(/C=C/c2ccc3cccc(O)c3n2)cc1OC ZINC000004845184 210297182 /nfs/dbraw/zinc/29/71/82/210297182.db2.gz RJUDGIRMFSJCJY-VQHVLOKHSA-N 0 0 341.794 4.781 50 0 EJAARN O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)C1CCCC1 ZINC000004842236 210296619 /nfs/dbraw/zinc/29/66/19/210296619.db2.gz YETWTEDKONXHTI-UHFFFAOYSA-N 0 0 333.391 4.532 50 0 EJAARN O=C(NC1CCCCCC1)c1cc(Br)ccc1Cl ZINC000004834399 210291967 /nfs/dbraw/zinc/29/19/67/210291967.db2.gz HSMSOOPQJOBDQM-UHFFFAOYSA-N 0 0 330.653 4.555 50 0 EJAARN COc1cc(Cl)c(C)cc1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004827952 210291158 /nfs/dbraw/zinc/29/11/58/210291158.db2.gz FAQJJOHWOWFLHR-UHFFFAOYSA-N 0 0 333.859 4.812 50 0 EJAARN Cc1c2ccccc2oc1C(=O)Oc1ccccc1Br ZINC000004820516 210287640 /nfs/dbraw/zinc/28/76/40/210287640.db2.gz SGHMZBUNIJPVRS-UHFFFAOYSA-N 0 0 331.165 4.723 50 0 EJAARN O=C(Nc1ccc(Br)cc1)c1cccc(C(F)(F)F)c1 ZINC000004821372 210287409 /nfs/dbraw/zinc/28/74/09/210287409.db2.gz JDUHFWWSDVISOZ-UHFFFAOYSA-N 0 0 344.130 4.720 50 0 EJAARN O=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1cccnc1 ZINC000004810575 210283468 /nfs/dbraw/zinc/28/34/68/210283468.db2.gz CYOIQZIXTUFBTO-UHFFFAOYSA-N 0 0 348.793 4.531 50 0 EJAARN O=C(COc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1 ZINC000000064764 209397201 /nfs/dbraw/zinc/39/72/01/209397201.db2.gz UZCUAGMMZQMCQD-UHFFFAOYSA-N 0 0 331.582 4.631 50 0 EJAARN CN(C)c1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000004798343 210280662 /nfs/dbraw/zinc/28/06/62/210280662.db2.gz KDFIQHQZSXYODC-UHFFFAOYSA-N 0 0 343.641 4.965 50 0 EJAARN CCCCc1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12 ZINC000004803690 210280269 /nfs/dbraw/zinc/28/02/69/210280269.db2.gz VFMDZNWWUNAQGV-UHFFFAOYSA-N 0 0 326.367 4.854 50 0 EJAARN CC(C)(C)[S@@](=O)OC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000004800650 210279994 /nfs/dbraw/zinc/27/99/94/210279994.db2.gz MWRRWLFNSUKCMC-HOSFRTPHSA-N 0 0 340.488 4.763 50 0 EJAARN O=C1N=C(Nc2cccc(C(F)(F)F)c2)C(=Cc2ccncc2)S1 ZINC000097527125 219032831 /nfs/dbraw/zinc/03/28/31/219032831.db2.gz XJMGTIDSYTXMFI-MDWZMJQESA-N 0 0 349.337 4.819 50 0 EJAARN O[C@H](OCc1cccc(Oc2ccccc2)c1)C(Cl)(Cl)Cl ZINC000004753543 210271197 /nfs/dbraw/zinc/27/11/97/210271197.db2.gz OZRHPSZQSYAAAL-CQSZACIVSA-N 0 0 347.625 4.684 50 0 EJAARN C[C@@H]1S[C@H](c2ccc(Br)cc2)N(c2ccccc2)C1=O ZINC000000080598 209406432 /nfs/dbraw/zinc/40/64/32/209406432.db2.gz XPPFSOPMMOZDQI-MEDUHNTESA-N 0 0 348.265 4.616 50 0 EJAARN O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1Cl ZINC000000142070 209445786 /nfs/dbraw/zinc/44/57/86/209445786.db2.gz OLTRQEKLJGYFBR-UHFFFAOYSA-N 0 0 348.151 4.942 50 0 EJAARN Fc1cccc2c1nc(-c1cnc(-c3ccccn3)s1)n2C1CC1 ZINC000154511687 224264739 /nfs/dbraw/zinc/26/47/39/224264739.db2.gz PTJIODDGKMCEBI-UHFFFAOYSA-N 0 0 336.395 4.696 50 0 EJAARN C[C@@H](N[C@@H](C)c1cnccn1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000119183621 221261658 /nfs/dbraw/zinc/26/16/58/221261658.db2.gz IHOZGPTZRJMATD-CABCVRRESA-N 0 0 337.398 4.820 50 0 EJAARN O=C(C[C@@H](c1ccsc1)n1cccc1)Nc1cccc2cccnc21 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/nfs/dbraw/zinc/31/56/45/563315645.db2.gz SHYHOCFISRJXSQ-NSHDSACASA-N 0 0 336.254 4.568 50 0 EJAARN O=C(CCc1ccc(F)cc1)c1ccc(Br)c(F)c1 ZINC000002517394 563437734 /nfs/dbraw/zinc/43/77/34/563437734.db2.gz HQBWMOGCJPFKJB-UHFFFAOYSA-N 0 0 325.152 4.543 50 0 EJAARN COc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1 ZINC000000030241 563211669 /nfs/dbraw/zinc/21/16/69/563211669.db2.gz ACSRKDGEZITZAM-UHFFFAOYSA-N 0 0 331.371 4.572 50 0 EJAARN CCOc1ccccc1C(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000000035593 563211898 /nfs/dbraw/zinc/21/18/98/563211898.db2.gz MXKLCOKFQSDIRL-UHFFFAOYSA-N 0 0 332.812 4.601 50 0 EJAARN O=C(NCc1cccc2ccccc21)c1cc(F)c(F)cc1Cl ZINC000000036031 563211984 /nfs/dbraw/zinc/21/19/84/563211984.db2.gz WBQLKABXZGNIOQ-UHFFFAOYSA-N 0 0 331.749 4.701 50 0 EJAARN Cc1cc(Br)cc(C)c1NC(=O)c1ccccc1Cl ZINC000000036009 563211992 /nfs/dbraw/zinc/21/19/92/563211992.db2.gz OFDSDOJKMXTRSI-UHFFFAOYSA-N 0 0 338.632 4.972 50 0 EJAARN CCOC(=O)c1c2c(sc1NC(=O)C1CCCCC1)C[C@H](C)CC2 ZINC000000037378 563212054 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/nfs/dbraw/zinc/21/65/90/563216590.db2.gz CHGQWULKXJXECG-UHFFFAOYSA-N 0 0 349.777 4.796 50 0 EJAARN Cc1c2cc3c(C)cc(=O)oc3c(C)c2oc1C(=O)c1ccccc1 ZINC000000077352 563217228 /nfs/dbraw/zinc/21/72/28/563217228.db2.gz DEZFKULOSALXLJ-UHFFFAOYSA-N 0 0 332.355 4.695 50 0 EJAARN Cc1nc(C(=O)Nc2cccc(Cl)c2Cl)c(C(F)(F)F)o1 ZINC000000077853 563217861 /nfs/dbraw/zinc/21/78/61/563217861.db2.gz MLHYLZRLVYSZDH-UHFFFAOYSA-N 0 0 339.100 4.561 50 0 EJAARN CC(=O)c1cccc(Nc2nc(-c3c(C)nc4ccccn43)cs2)c1 ZINC000000084856 563219704 /nfs/dbraw/zinc/21/97/04/563219704.db2.gz KLMLBDOMNGIKIL-UHFFFAOYSA-N 0 0 348.431 4.712 50 0 EJAARN Cc1c2ccc(O)cc2oc(=O)c1Cc1ccc(Cl)c(Cl)c1 ZINC000000090384 563222179 /nfs/dbraw/zinc/22/21/79/563222179.db2.gz VVGLWVPVTNZKPO-UHFFFAOYSA-N 0 0 335.186 4.705 50 0 EJAARN Nc1ccccc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000000100022 563225587 /nfs/dbraw/zinc/22/55/87/563225587.db2.gz VHWPKSLUULQLBO-UHFFFAOYSA-N 0 0 348.246 4.559 50 0 EJAARN CCOC(=O)c1nc2ccccc2c(Nc2cccc(Cl)c2C)n1 ZINC000000106441 563227897 /nfs/dbraw/zinc/22/78/97/563227897.db2.gz RGDWBKXFFKPZCH-UHFFFAOYSA-N 0 0 341.798 4.512 50 0 EJAARN C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1cccnc1 ZINC000000110881 563229741 /nfs/dbraw/zinc/22/97/41/563229741.db2.gz TXBIKVOIVWTLSX-JXFKEZNVSA-N 0 0 343.430 4.674 50 0 EJAARN O=C(/C=C/c1ccccc1Cl)Nc1cccc(Br)c1 ZINC000000129377 563237629 /nfs/dbraw/zinc/23/76/29/563237629.db2.gz DMOTXAZHXKMEAJ-CMDGGOBGSA-N 0 0 336.616 4.754 50 0 EJAARN O=C(COc1ccccc1Cl)Nc1ccc(Cl)cc1Cl ZINC000000132019 563238826 /nfs/dbraw/zinc/23/88/26/563238826.db2.gz QKDRGDCLKCVQNR-UHFFFAOYSA-N 0 0 330.598 4.664 50 0 EJAARN O=C(CCc1ccccc1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000000134193 563239868 /nfs/dbraw/zinc/23/98/68/563239868.db2.gz VFCPZWPPPGNHEO-UHFFFAOYSA-N 0 0 344.414 4.510 50 0 EJAARN Cc1ccc(NC(=O)N(C2=NCC(C)(C)S2)c2ccccc2)cc1 ZINC000000135751 563240492 /nfs/dbraw/zinc/24/04/92/563240492.db2.gz YZUBCFJOMTUKPQ-UHFFFAOYSA-N 0 0 339.464 4.915 50 0 EJAARN O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccco1 ZINC000000135781 563240504 /nfs/dbraw/zinc/24/05/04/563240504.db2.gz NXBBGLMSPOEUIU-UHFFFAOYSA-N 0 0 336.372 4.514 50 0 EJAARN Cc1cc(S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc(C)c1F ZINC000000139114 563241445 /nfs/dbraw/zinc/24/14/45/563241445.db2.gz CDWRIQCEIXNODU-UHFFFAOYSA-N 0 0 333.211 4.582 50 0 EJAARN O=C(Cc1cccs1)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000000138872 563241475 /nfs/dbraw/zinc/24/14/75/563241475.db2.gz BUXRDXMSBNLPFR-UHFFFAOYSA-N 0 0 334.400 4.738 50 0 EJAARN CCc1cccc([C@H](C)CC)c1NS(=O)(=O)c1ccc(C)cc1 ZINC000000139427 563241496 /nfs/dbraw/zinc/24/14/96/563241496.db2.gz MXUJHFBSUNLXKE-OAHLLOKOSA-N 0 0 331.481 4.872 50 0 EJAARN CCC(C)(C)NC(=O)Nc1ccc(C)c(NC(=O)NC(C)(C)CC)c1 ZINC000000144510 563243619 /nfs/dbraw/zinc/24/36/19/563243619.db2.gz FPHYKJBRLXVHTQ-UHFFFAOYSA-N 0 0 348.491 4.615 50 0 EJAARN Cc1cc(C)c(NC(=O)c2cccc(Br)c2)c(Cl)c1 ZINC000000145395 563244206 /nfs/dbraw/zinc/24/42/06/563244206.db2.gz BACKEZOXQIDORY-UHFFFAOYSA-N 0 0 338.632 4.972 50 0 EJAARN CC(C)=CC(=O)Oc1ccc(-c2ccccc2)cc1Br ZINC000000145706 563244225 /nfs/dbraw/zinc/24/42/25/563244225.db2.gz LKJQQQAZMBDONN-UHFFFAOYSA-N 0 0 331.209 4.988 50 0 EJAARN Cn1nc(C(C)(C)C)cc1C(=O)Nc1ccccc1-c1ccccc1 ZINC000000148182 563245164 /nfs/dbraw/zinc/24/51/64/563245164.db2.gz WYEQNZBVEFKWFB-UHFFFAOYSA-N 0 0 333.435 4.637 50 0 EJAARN Nc1c(Br)cc(C2CCCCC2)cc1Br ZINC000000152815 563246679 /nfs/dbraw/zinc/24/66/79/563246679.db2.gz HWWWUEPYMLJAJK-UHFFFAOYSA-N 0 0 333.067 4.842 50 0 EJAARN Cc1ccc(NC(=O)Nc2cc(-c3ccccc3)nn2C)cc1Cl ZINC000000157701 563248062 /nfs/dbraw/zinc/24/80/62/563248062.db2.gz MQOGXOGQVMRWEM-UHFFFAOYSA-N 0 0 340.814 4.693 50 0 EJAARN C[C@@H]1CN=C(N(C(=O)Nc2cccc(Cl)c2)c2ccccc2)S1 ZINC000000162685 563249005 /nfs/dbraw/zinc/24/90/05/563249005.db2.gz LYYXFXPGLHSXBD-GFCCVEGCSA-N 0 0 345.855 4.870 50 0 EJAARN CC(C)(C)CC(C)(C)NC(=O)c1cccc2c1-c1ccccc1C2=O ZINC000000163596 563249222 /nfs/dbraw/zinc/24/92/22/563249222.db2.gz RMHAFTGQACWCRN-UHFFFAOYSA-N 0 0 335.447 4.843 50 0 EJAARN Cc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(F)cc1 ZINC000000169595 563250593 /nfs/dbraw/zinc/25/05/93/563250593.db2.gz JQLBGTXUVGMJRW-UHFFFAOYSA-N 0 0 345.439 4.525 50 0 EJAARN COc1ccc2c(c1)N(C(C)=O)C(C)(C)c1ssc(=S)c1-2 ZINC000000169572 563250621 /nfs/dbraw/zinc/25/06/21/563250621.db2.gz UEAZFFXAZPUZAG-UHFFFAOYSA-N 0 0 337.491 4.816 50 0 EJAARN Cn1nc(-c2ccccc2)c(CO)c1SCc1ccc(Cl)cc1 ZINC000000169713 563250636 /nfs/dbraw/zinc/25/06/36/563250636.db2.gz NJJXVNUMZSWLFY-UHFFFAOYSA-N 0 0 344.867 4.525 50 0 EJAARN COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1 ZINC000000175924 563252719 /nfs/dbraw/zinc/25/27/19/563252719.db2.gz PCAJPBZIAFVSEO-HXUWFJFHSA-N 0 0 348.377 4.605 50 0 EJAARN O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1cccc(F)c1 ZINC000000175995 563252975 /nfs/dbraw/zinc/25/29/75/563252975.db2.gz ABAQMLXCROLYOS-UHFFFAOYSA-N 0 0 348.333 4.592 50 0 EJAARN O=C(Nc1ccc2c(c1)OCO2)c1sc2ccccc2c1Cl ZINC000000176130 563253014 /nfs/dbraw/zinc/25/30/14/563253014.db2.gz NICDJGKGFNFYTN-UHFFFAOYSA-N 0 0 331.780 4.536 50 0 EJAARN O=C1N[C@@H](c2cccc3ccccc32)Nc2sc3c(c21)CCCC3 ZINC000000178352 563253384 /nfs/dbraw/zinc/25/33/84/563253384.db2.gz VCYSCDPUQVOGDD-GOSISDBHSA-N 0 0 334.444 4.634 50 0 EJAARN Cc1ccc(C2=N/C(=C/c3ccc(Cl)c(Cl)c3)C(=O)O2)cc1 ZINC000000178421 563253402 /nfs/dbraw/zinc/25/34/02/563253402.db2.gz GIALTJFRWWDURV-OQLLNIDSSA-N 0 0 332.186 4.646 50 0 EJAARN COc1ccc(NC(=O)C[C@H](c2ccccc2)c2ccccc2O)cc1 ZINC000000178467 563253461 /nfs/dbraw/zinc/25/34/61/563253461.db2.gz LPVVIAKWGNRRDB-HXUWFJFHSA-N 0 0 347.414 4.562 50 0 EJAARN O=C1CS[C@@H](c2cccc(Cl)c2Cl)N1c1ccc(F)cc1 ZINC000000180248 563253647 /nfs/dbraw/zinc/25/36/47/563253647.db2.gz MQCZYPODTOMEAT-HNNXBMFYSA-N 0 0 342.222 4.911 50 0 EJAARN COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 ZINC000000179759 563253732 /nfs/dbraw/zinc/25/37/32/563253732.db2.gz JUCBNPGBTLMMMB-UHFFFAOYSA-N 0 0 344.370 4.756 50 0 EJAARN O=C(Nc1ccc(F)cc1F)C1c2ccccc2Oc2ccccc21 ZINC000000182637 563254786 /nfs/dbraw/zinc/25/47/86/563254786.db2.gz WUKRPIJGFNEUGB-UHFFFAOYSA-N 0 0 337.325 4.841 50 0 EJAARN Cc1ccccc1C(=O)Nc1cccc(-c2nc3ncccc3o2)c1C ZINC000000184340 563255274 /nfs/dbraw/zinc/25/52/74/563255274.db2.gz SBGVWPZDUIRXRD-UHFFFAOYSA-N 0 0 343.386 4.759 50 0 EJAARN O=C(Nc1ccccc1-c1ccccc1)c1cc2ccccc2oc1=O ZINC000000187295 563255472 /nfs/dbraw/zinc/25/54/72/563255472.db2.gz QARMFPXVKANLDK-UHFFFAOYSA-N 0 0 341.366 4.712 50 0 EJAARN Cc1cccc(-n2c(-c3ccccc3C)nc3ccccc3c2=O)c1 ZINC000000186965 563255478 /nfs/dbraw/zinc/25/54/78/563255478.db2.gz AVTASMGYFDLSFV-UHFFFAOYSA-N 0 0 326.399 4.670 50 0 EJAARN Cc1ccc2c(Cl)c(C(=O)NCCc3ccccc3)sc2c1 ZINC000000186005 563255596 /nfs/dbraw/zinc/25/55/96/563255596.db2.gz MGIQDMGIVQACIP-UHFFFAOYSA-N 0 0 329.852 4.836 50 0 EJAARN Cn1c2ccccc2c2c1-c1cnn(-c3ccccc3)c1CC2(C)C ZINC000000188867 563255923 /nfs/dbraw/zinc/25/59/23/563255923.db2.gz VQSCMGVHRADPKV-UHFFFAOYSA-N 0 0 327.431 4.865 50 0 EJAARN COc1ccc(-c2nnc(Nc3ccc(O)cc3)c3ccccc32)cc1 ZINC000000188656 563256001 /nfs/dbraw/zinc/25/60/01/563256001.db2.gz WOIUJVKDQGRWQS-UHFFFAOYSA-N 0 0 343.386 4.755 50 0 EJAARN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1ccco1 ZINC000000188969 563256018 /nfs/dbraw/zinc/25/60/18/563256018.db2.gz WIXKQUJAAZMYGS-UHFFFAOYSA-N 0 0 338.750 4.994 50 0 EJAARN Cc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1 ZINC000000190410 563256206 /nfs/dbraw/zinc/25/62/06/563256206.db2.gz BFAZKDZNMRHORZ-UHFFFAOYSA-N 0 0 327.387 4.791 50 0 EJAARN Cc1nn(C(=O)c2ccco2)c(C)c1Sc1ccc(Cl)cc1 ZINC000000189872 563256249 /nfs/dbraw/zinc/25/62/49/563256249.db2.gz PNWKLDWSDNMLJN-UHFFFAOYSA-N 0 0 332.812 4.586 50 0 EJAARN O=C1C(Nc2ccccc2)=C[C@@H](c2cccc(F)c2)N1c1ccccc1 ZINC000000191505 563256613 /nfs/dbraw/zinc/25/66/13/563256613.db2.gz MAPYSZNNGNHTEB-NRFANRHFSA-N 0 0 344.389 4.910 50 0 EJAARN S=C(NC1CCCCC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000000191758 563256927 /nfs/dbraw/zinc/25/69/27/563256927.db2.gz ALDZUKAAADGRDQ-UHFFFAOYSA-N 0 0 338.520 4.896 50 0 EJAARN O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1cccc(F)c1 ZINC000000194242 563257285 /nfs/dbraw/zinc/25/72/85/563257285.db2.gz NGFJJQIPHTVNSA-UHFFFAOYSA-N 0 0 332.334 4.886 50 0 EJAARN Cc1cc(C)nc(NC(=O)C2c3ccccc3Oc3ccccc32)c1 ZINC000000204714 563259317 /nfs/dbraw/zinc/25/93/17/563259317.db2.gz IHLZMTNVTLXINQ-UHFFFAOYSA-N 0 0 330.387 4.575 50 0 EJAARN Cc1ccccc1OCc1nc2ccccc2n1Cc1ccccc1 ZINC000000214160 563261529 /nfs/dbraw/zinc/26/15/29/563261529.db2.gz SWQBRSOGPYAELF-UHFFFAOYSA-N 0 0 328.415 4.972 50 0 EJAARN COc1ccc(-c2nnc3n2C2(CCCCC2)Cc2ccccc2-3)cc1 ZINC000000227197 563263388 /nfs/dbraw/zinc/26/33/88/563263388.db2.gz HNFMNPZXRJWDLM-UHFFFAOYSA-N 0 0 345.446 4.836 50 0 biogenic EJAARN CCOc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000000237379 563264161 /nfs/dbraw/zinc/26/41/61/563264161.db2.gz RLAXCXJIKFKPIP-UHFFFAOYSA-N 0 0 331.415 4.856 50 0 EJAARN Cc1cc(=O)oc2cc(OCc3ccc(Cl)cc3)c(Cl)cc12 ZINC000000237749 563264196 /nfs/dbraw/zinc/26/41/96/563264196.db2.gz XNUNIGCBASICAW-UHFFFAOYSA-N 0 0 335.186 4.987 50 0 EJAARN O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cc2ccncc2)cc1 ZINC000000250072 563266882 /nfs/dbraw/zinc/26/68/82/563266882.db2.gz DVAMCJGEKXYZCW-UHFFFAOYSA-N 0 0 337.810 4.970 50 0 EJAARN CCOC(=O)c1c(-c2ccccc2)csc1-n1c(C)ccc1C ZINC000000260271 563268045 /nfs/dbraw/zinc/26/80/45/563268045.db2.gz IKVPDFICNKIYLP-UHFFFAOYSA-N 0 0 325.433 4.999 50 0 EJAARN O=C1[C@H](c2ccccc2)c2ccccc2N1Nc1ccc(Cl)cc1 ZINC000000264369 563268624 /nfs/dbraw/zinc/26/86/24/563268624.db2.gz RKYSHDDNTKSXQU-LJQANCHMSA-N 0 0 334.806 4.846 50 0 EJAARN CCOC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000000266899 563268761 /nfs/dbraw/zinc/26/87/61/563268761.db2.gz LPFNYZLGCZCARW-UHFFFAOYSA-N 0 0 339.416 4.664 50 0 EJAARN Cc1sc(NC(=O)c2c(F)cccc2F)nc1-c1ccccc1 ZINC000000269231 563269348 /nfs/dbraw/zinc/26/93/48/563269348.db2.gz ARERRRAWYXBDEE-UHFFFAOYSA-N 0 0 330.359 4.649 50 0 EJAARN COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)/C=C/c1ccccc1 ZINC000000273254 563270253 /nfs/dbraw/zinc/27/02/53/563270253.db2.gz LHVDEKIDPVNWBK-JLHYYAGUSA-N 0 0 333.431 4.937 50 0 EJAARN COc1ccc([C@H]2CC(=O)c3c(ccc4ccccc43)N2)cc1OC ZINC000000276235 563270742 /nfs/dbraw/zinc/27/07/42/563270742.db2.gz GKVLKQQITBVGCF-QGZVFWFLSA-N 0 0 333.387 4.597 50 0 EJAARN COc1ccc(CNc2ccc3c(c2)CCC3)cc1Br ZINC000000279897 563271483 /nfs/dbraw/zinc/27/14/83/563271483.db2.gz ZAVZDRUYJDCBID-UHFFFAOYSA-N 0 0 332.241 4.559 50 0 EJAARN COc1ccc(Br)cc1CNc1ccc(F)c(Cl)c1 ZINC000000280502 563271880 /nfs/dbraw/zinc/27/18/80/563271880.db2.gz IPMWWFWWAZNLSX-UHFFFAOYSA-N 0 0 344.611 4.862 50 0 EJAARN CCc1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000000282026 563272317 /nfs/dbraw/zinc/27/23/17/563272317.db2.gz XILUPFKISHRLCE-NSHDSACASA-N 0 0 338.234 4.962 50 0 EJAARN O=C(Nc1cccnc1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000000283708 563272340 /nfs/dbraw/zinc/27/23/40/563272340.db2.gz DMOOPUYRZLYVNK-UHFFFAOYSA-N 0 0 325.371 4.549 50 0 EJAARN Cc1ccc([C@@H](CC(=O)NC2CCCCC2)c2ccccc2)c(O)c1 ZINC000000285587 563272675 /nfs/dbraw/zinc/27/26/75/563272675.db2.gz HLFKTUFUIIWQQN-FQEVSTJZSA-N 0 0 337.463 4.672 50 0 EJAARN COc1cc(C)c(CNc2ccc(C)cc2Br)cc1C ZINC000000292645 563274147 /nfs/dbraw/zinc/27/41/47/563274147.db2.gz AFZPBJUMCLCTIK-UHFFFAOYSA-N 0 0 334.257 4.995 50 0 EJAARN O=C(Nc1c(-c2ccccc2)nc2ccccn21)c1ccc(Cl)cc1 ZINC000000297912 563274916 /nfs/dbraw/zinc/27/49/16/563274916.db2.gz FRIQPHRAZJOBMU-UHFFFAOYSA-N 0 0 347.805 4.907 50 0 EJAARN CCCC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC000000303266 563276790 /nfs/dbraw/zinc/27/67/90/563276790.db2.gz VOLWNORXKMJJRP-FMIVXFBMSA-N 0 0 342.826 4.731 50 0 EJAARN S=C(c1ccc(OCc2ccccc2Cl)cc1)N1CCCC1 ZINC000000306305 563278015 /nfs/dbraw/zinc/27/80/15/563278015.db2.gz YXMRUVXRUDNGML-UHFFFAOYSA-N 0 0 331.868 4.690 50 0 EJAARN CCc1cccc(C)c1NC(=O)c1ccc(OC)c(Br)c1 ZINC000000308438 563278814 /nfs/dbraw/zinc/27/88/14/563278814.db2.gz UWTJFZFYNWRYEZ-UHFFFAOYSA-N 0 0 348.240 4.581 50 0 EJAARN Cc1ccc(-c2cc3nc(C(F)(F)F)cc(C(F)(F)F)n3n2)cc1 ZINC000000310857 563280968 /nfs/dbraw/zinc/28/09/68/563280968.db2.gz YJHALCCWNZQJMH-UHFFFAOYSA-N 0 0 345.246 4.742 50 0 EJAARN COc1ccccc1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000000311615 563281364 /nfs/dbraw/zinc/28/13/64/563281364.db2.gz WOJTXWSDRBMPRT-UHFFFAOYSA-N 0 0 343.732 4.549 50 0 EJAARN Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000000315148 563282489 /nfs/dbraw/zinc/28/24/89/563282489.db2.gz FKXFDOHMJZWCGK-UHFFFAOYSA-N 0 0 343.732 4.685 50 0 EJAARN COc1cccc(NC(=O)C[C@H](c2ccccc2)c2ccccc2O)c1 ZINC000000315730 563282770 /nfs/dbraw/zinc/28/27/70/563282770.db2.gz FEFPBDOSNCGBFO-HXUWFJFHSA-N 0 0 347.414 4.562 50 0 EJAARN CCOc1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000000317802 563283421 /nfs/dbraw/zinc/28/34/21/563283421.db2.gz KKECGAWTFBJJTQ-UHFFFAOYSA-N 0 0 347.414 4.917 50 0 EJAARN Cc1ccc(C(=O)Nc2cccc(-c3cn4ccccc4n3)c2)cc1 ZINC000000319485 563284422 /nfs/dbraw/zinc/28/44/22/563284422.db2.gz VSJSSZYIKUVHHH-UHFFFAOYSA-N 0 0 327.387 4.562 50 0 EJAARN COc1ccc(C(=O)Nc2ccc3c4c(cccc42)CC3)cc1Cl ZINC000000342082 563286565 /nfs/dbraw/zinc/28/65/65/563286565.db2.gz AFLOJGZEZGKZKB-UHFFFAOYSA-N 0 0 337.806 4.853 50 0 EJAARN O=C(Nc1nc2ccc(Cl)cc2s1)c1cc2ccccc2o1 ZINC000000342219 563287003 /nfs/dbraw/zinc/28/70/03/563287003.db2.gz XJABTLQAFZZRLR-UHFFFAOYSA-N 0 0 328.780 4.948 50 0 EJAARN Cc1cc(C)cc(OCC(=O)Nc2nc3ccc(Cl)cc3s2)c1 ZINC000000342216 563287017 /nfs/dbraw/zinc/28/70/17/563287017.db2.gz ANXDAPLDCKBPIB-UHFFFAOYSA-N 0 0 346.839 4.584 50 0 EJAARN CCOC(=O)N[C@@H]1Cc2ccccc2Sc2ccc(Cl)cc21 ZINC000000347594 563288014 /nfs/dbraw/zinc/28/80/14/563288014.db2.gz HPDNNBBTSMILMR-CQSZACIVSA-N 0 0 333.840 4.835 50 0 EJAARN Ic1cccc(-c2nc3ccccc3s2)c1 ZINC000000353782 563290384 /nfs/dbraw/zinc/29/03/84/563290384.db2.gz RTGHSBIGOYPYBD-UHFFFAOYSA-N 0 0 337.185 4.568 50 0 EJAARN O=C(Nc1nccs1)c1ccc(COc2ccccc2Cl)cc1 ZINC000000355456 563290832 /nfs/dbraw/zinc/29/08/32/563290832.db2.gz HTTLOYJJKAMCOI-UHFFFAOYSA-N 0 0 344.823 4.628 50 0 EJAARN Cc1ccc(OCC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1 ZINC000000357758 563291567 /nfs/dbraw/zinc/29/15/67/563291567.db2.gz VFVSVTOQCJTAGM-UHFFFAOYSA-N 0 0 332.403 4.756 50 0 EJAARN O=C(COc1ccc2ccccc2c1)Oc1ccc2ccccc2c1 ZINC000000358479 563291582 /nfs/dbraw/zinc/29/15/82/563291582.db2.gz ZYFGUMIXRRLVKU-UHFFFAOYSA-N 0 0 328.367 4.977 50 0 EJAARN COc1ccc(C(=O)Oc2ccccc2C(C)C)cc1Br ZINC000000359058 563292279 /nfs/dbraw/zinc/29/22/79/563292279.db2.gz KHUKLUOMUCJBHI-UHFFFAOYSA-N 0 0 349.224 4.800 50 0 EJAARN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000000362567 563294475 /nfs/dbraw/zinc/29/44/75/563294475.db2.gz JDCPDFHGBOAVEH-UHFFFAOYSA-N 0 0 337.872 4.747 50 0 EJAARN Cc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000000365381 563296200 /nfs/dbraw/zinc/29/62/00/563296200.db2.gz VPNIDAYLVLLCDJ-UHFFFAOYSA-N 0 0 337.872 4.747 50 0 EJAARN Cc1cn(C(=O)c2ccccc2)c(=S)n1-c1ccc(Cl)cc1 ZINC000000366681 563296668 /nfs/dbraw/zinc/29/66/68/563296668.db2.gz KCYNINVAHHCOJE-UHFFFAOYSA-N 0 0 328.824 4.659 50 0 EJAARN COc1ccc(-c2nnc(SCC(C)C)n2-c2ccccc2)cc1 ZINC000000367543 563296778 /nfs/dbraw/zinc/29/67/78/563296778.db2.gz AZHPCLLSYHVSCO-UHFFFAOYSA-N 0 0 339.464 4.691 50 0 EJAARN COc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC ZINC000000370127 563297432 /nfs/dbraw/zinc/29/74/32/563297432.db2.gz COMMMKZADCHFBL-UHFFFAOYSA-N 0 0 341.194 4.655 50 0 EJAARN Cc1cc(OCC(=O)N[C@@H]2CCCc3ccccc32)cc(C)c1Cl ZINC000000371929 563297799 /nfs/dbraw/zinc/29/77/99/563297799.db2.gz JDNKKYRSKVFNPD-GOSISDBHSA-N 0 0 343.854 4.529 50 0 EJAARN CCOc1cc([C@@H]2CC(=O)c3c(ccc4ccccc43)N2)ccc1O ZINC000000381208 563299769 /nfs/dbraw/zinc/29/97/69/563299769.db2.gz FAEVSFGYUYHIRA-KRWDZBQOSA-N 0 0 333.387 4.684 50 0 EJAARN O=S(=O)(c1ccc(-c2ccc(Cl)cc2)cc1)N1CCCCCC1 ZINC000000387161 563303460 /nfs/dbraw/zinc/30/34/60/563303460.db2.gz YCLFRJZMDZRIJW-UHFFFAOYSA-N 0 0 349.883 4.572 50 0 EJAARN Cc1ccc(C(=O)N2c3ccc(Br)cc3CC[C@H]2C)cc1 ZINC000000391449 563304205 /nfs/dbraw/zinc/30/42/05/563304205.db2.gz FETHPSHUCKCXFM-CYBMUJFWSA-N 0 0 344.252 4.739 50 0 EJAARN O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)Nc1cccc(Cl)c1 ZINC000000393087 563304482 /nfs/dbraw/zinc/30/44/82/563304482.db2.gz VJANFYTVNRQTQE-UHFFFAOYSA-N 0 0 349.177 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/nfs/dbraw/zinc/42/83/47/563428347.db2.gz KENQCGZZRKGLIF-HXUWFJFHSA-N 0 0 335.790 4.824 50 0 EJAARN Cc1ccccc1OC[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000002301222 563428804 /nfs/dbraw/zinc/42/88/04/563428804.db2.gz AMNNZFVHKIVUCQ-KRWDZBQOSA-N 0 0 331.415 4.543 50 0 EJAARN C[C@@H]1CC(C)(C)N2C(=O)[C@]3(Nc4ccccc4S3)c3cccc1c32 ZINC000002352458 563430127 /nfs/dbraw/zinc/43/01/27/563430127.db2.gz BFQJGJYTDOYXDQ-ODXCJYRJSA-N 0 0 336.460 4.690 50 0 EJAARN CCCCn1nc(NC(=O)CC(C)C)c2cc3cc(C)ccc3nc21 ZINC000002396653 563431666 /nfs/dbraw/zinc/43/16/66/563431666.db2.gz GFILOFJGJMBMJO-UHFFFAOYSA-N 0 0 338.455 4.678 50 0 EJAARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2Cl)N3)C1 ZINC000002492885 563433896 /nfs/dbraw/zinc/43/38/96/563433896.db2.gz PUGTXTOXWGPIBZ-RFAUZJTJSA-N 0 0 332.856 4.955 50 0 EJAARN COc1cccc(Nc2nc(-c3ccc(OC)c(F)c3)cs2)c1 ZINC000002496692 563434247 /nfs/dbraw/zinc/43/42/47/563434247.db2.gz OKTKEHUSLUUXJY-UHFFFAOYSA-N 0 0 330.384 4.710 50 0 EJAARN O=C(c1cccc(CN2CC=CC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000002515418 563436579 /nfs/dbraw/zinc/43/65/79/563436579.db2.gz DPKLXXPVYTVVDX-UHFFFAOYSA-N 0 0 332.230 4.596 50 0 EJAARN CC1(C)COC(CCCC(=O)c2cc(Cl)cc(Cl)c2)OC1 ZINC000002518150 563438356 /nfs/dbraw/zinc/43/83/56/563438356.db2.gz IKKMTDYISASJHY-UHFFFAOYSA-N 0 0 331.239 4.746 50 0 EJAARN O=C(CCSc1ccc(Br)cc1)c1ccc(O)cc1 ZINC000002519802 563438408 /nfs/dbraw/zinc/43/84/08/563438408.db2.gz XKRQCXFHCLCIBC-UHFFFAOYSA-N 0 0 337.238 4.520 50 0 EJAARN Fc1ccccc1-c1nc(Cl)c2cc(Br)ccc2n1 ZINC000002527425 563439196 /nfs/dbraw/zinc/43/91/96/563439196.db2.gz BAHQFLGDULAYEK-UHFFFAOYSA-N 0 0 337.579 4.852 50 0 EJAARN Cc1cccc(-n2cc(CO)c(-c3ccc(Cl)cc3Cl)n2)c1 ZINC000002544758 563440255 /nfs/dbraw/zinc/44/02/55/563440255.db2.gz YSIHDCKMWRKFQE-UHFFFAOYSA-N 0 0 333.218 4.647 50 0 EJAARN CCC(C)(C)[C@H]1CCc2c(sc(N)c2C(=O)NC2CCCC2)C1 ZINC000002558488 563441126 /nfs/dbraw/zinc/44/11/26/563441126.db2.gz UDSQYMLQUNFHMV-LBPRGKRZSA-N 0 0 334.529 4.544 50 0 EJAARN O=C(Cc1ccccc1)Nc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000002592765 563443815 /nfs/dbraw/zinc/44/38/15/563443815.db2.gz RIIGYFIYIWTQKN-UHFFFAOYSA-N 0 0 342.851 4.569 50 0 EJAARN O=C(Nc1ccc(Br)cc1)c1ccc(C(F)(F)F)cc1 ZINC000002630443 563444816 /nfs/dbraw/zinc/44/48/16/563444816.db2.gz YKTUUHRDVDNBFT-UHFFFAOYSA-N 0 0 344.130 4.720 50 0 EJAARN Clc1ccc(CSc2nnc3sc4ccccc4n23)cc1 ZINC000002679402 563445846 /nfs/dbraw/zinc/44/58/46/563445846.db2.gz LKFLRYCHHAGFRK-UHFFFAOYSA-N 0 0 331.853 4.890 50 0 EJAARN c1ccc(-c2ccc(-c3nnc(-c4ccc5c(c4)OCO5)o3)cc2)cc1 ZINC000002753614 563449071 /nfs/dbraw/zinc/44/90/71/563449071.db2.gz CDPOZYFUBFMWAY-UHFFFAOYSA-N 0 0 342.354 4.799 50 0 EJAARN O=C(Nc1cccnc1Cl)c1sc2cc(F)ccc2c1Cl ZINC000002764491 563449799 /nfs/dbraw/zinc/44/97/99/563449799.db2.gz NMXDUOPEDMLPAO-UHFFFAOYSA-N 0 0 341.194 4.995 50 0 EJAARN CCCCOc1ccccc1NC(=O)c1ccc(SC)cc1OC ZINC000002810381 563451608 /nfs/dbraw/zinc/45/16/08/563451608.db2.gz UCAIDEUAIBKIJN-UHFFFAOYSA-N 0 0 345.464 4.848 50 0 EJAARN CCc1ccc(N[C@@H](c2ccccc2)P2(=O)OCCCO2)cc1 ZINC000002810181 563451644 /nfs/dbraw/zinc/45/16/44/563451644.db2.gz URLNWSLALFTHCI-GOSISDBHSA-N 0 0 331.352 4.990 50 0 EJAARN CCCCc1cc(=O)oc2cc(OCc3ccc(F)cc3)ccc12 ZINC000002814184 563452273 /nfs/dbraw/zinc/45/22/73/563452273.db2.gz HQQTXKLXTWSHJM-UHFFFAOYSA-N 0 0 326.367 4.854 50 0 EJAARN Fc1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)c(F)c1 ZINC000002853434 563456144 /nfs/dbraw/zinc/45/61/44/563456144.db2.gz DFXBLMRVZPFDQM-UHFFFAOYSA-N 0 0 348.296 4.672 50 0 EJAARN CCc1cccc(OCCOc2ccc(Cl)c3cccnc23)c1 ZINC000002862585 563457060 /nfs/dbraw/zinc/45/70/60/563457060.db2.gz HRJJESSZRQEYHX-UHFFFAOYSA-N 0 0 327.811 4.908 50 0 EJAARN O=C(CSCc1c(F)cccc1Cl)Nc1ccc(F)cc1F ZINC000002870642 563459033 /nfs/dbraw/zinc/45/90/33/563459033.db2.gz OFIGMVWFFWDLQU-UHFFFAOYSA-N 0 0 345.773 4.629 50 0 EJAARN CSc1ccccc1C(=O)NCCSc1ccc(Cl)cc1 ZINC000002875337 563459708 /nfs/dbraw/zinc/45/97/08/563459708.db2.gz JXDNTBMLUPQWFW-UHFFFAOYSA-N 0 0 337.897 4.584 50 0 EJAARN COc1cccc(NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c1 ZINC000002891370 563462068 /nfs/dbraw/zinc/46/20/68/563462068.db2.gz ZQIRYZWGAOYFIG-NRFANRHFSA-N 0 0 343.426 4.640 50 0 EJAARN Cc1nc2c3ccccc3nc(SCc3ccccc3Cl)n2n1 ZINC000002968895 563465039 /nfs/dbraw/zinc/46/50/39/563465039.db2.gz VISLYYSMRLEQPI-UHFFFAOYSA-N 0 0 340.839 4.532 50 0 EJAARN Cc1nc2c3ccccc3nc(SCc3cccc(Cl)c3)n2n1 ZINC000002968897 563465093 /nfs/dbraw/zinc/46/50/93/563465093.db2.gz KBPCRMWRUSEHOZ-UHFFFAOYSA-N 0 0 340.839 4.532 50 0 EJAARN CC(=O)C1=NN(c2ccccc2)[C@@H](c2cccs2)N1c1ccccc1 ZINC000002983401 563465861 /nfs/dbraw/zinc/46/58/61/563465861.db2.gz TXHNVTOGOZAUQR-FQEVSTJZSA-N 0 0 347.443 4.676 50 0 EJAARN COc1cc(C=O)ccc1OCCCOc1cccc2ccccc21 ZINC000002983816 563466261 /nfs/dbraw/zinc/46/62/61/563466261.db2.gz GYYKCPLADGKRCO-UHFFFAOYSA-N 0 0 336.387 4.509 50 0 EJAARN CCOc1ccc(OCCCCOc2ccccc2C(C)=O)cc1 ZINC000002985734 563466880 /nfs/dbraw/zinc/46/68/80/563466880.db2.gz YJOOGRAZZNYRJP-UHFFFAOYSA-N 0 0 328.408 4.526 50 0 EJAARN COc1ccc(OCCOCCSc2ccc(Cl)cc2)cc1 ZINC000002985712 563466954 /nfs/dbraw/zinc/46/69/54/563466954.db2.gz LYNRPUIOEJQFGF-UHFFFAOYSA-N 0 0 338.856 4.536 50 0 EJAARN CCN(CC)C(=S)SCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000002989406 563467794 /nfs/dbraw/zinc/46/77/94/563467794.db2.gz DBWJPECORLSRDK-UHFFFAOYSA-N 0 0 343.517 4.896 50 0 EJAARN COc1ccc(CCCC(=O)Nc2ccc(Cl)cc2C)c(C)c1 ZINC000002993940 563468504 /nfs/dbraw/zinc/46/85/04/563468504.db2.gz UMVKIUQCPXMWFW-UHFFFAOYSA-N 0 0 331.843 4.927 50 0 EJAARN Cc1ccc(-c2c[nH]cc2C(=O)c2ccc(Br)cc2)cc1 ZINC000003105289 563472072 /nfs/dbraw/zinc/47/20/72/563472072.db2.gz BNOQLCFIHCHQEO-UHFFFAOYSA-N 0 0 340.220 4.984 50 0 EJAARN CC(C)(C)c1ccc(-c2nc(CSc3ccccn3)no2)s1 ZINC000003126843 563473346 /nfs/dbraw/zinc/47/33/46/563473346.db2.gz LDMRJYAHIDSTDY-UHFFFAOYSA-N 0 0 331.466 4.783 50 0 EJAARN Cc1csc(NC(=O)c2sc3cc(F)ccc3c2Cl)n1 ZINC000003259789 563478350 /nfs/dbraw/zinc/47/83/50/563478350.db2.gz QSKCTZKRMRTPSW-UHFFFAOYSA-N 0 0 326.805 4.711 50 0 EJAARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1F ZINC000003295389 563479274 /nfs/dbraw/zinc/47/92/74/563479274.db2.gz UCBJBSRBZUSZPV-UHFFFAOYSA-N 0 0 338.382 4.670 50 0 EJAARN Clc1cccc(-c2nc(COc3cccc4cccnc43)no2)c1 ZINC000034907059 563481767 /nfs/dbraw/zinc/48/17/67/563481767.db2.gz LFARWAOSKKMGAD-UHFFFAOYSA-N 0 0 337.766 4.517 50 0 EJAARN Cc1cccc(-n2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)n2)c1 ZINC000034907496 563481857 /nfs/dbraw/zinc/48/18/57/563481857.db2.gz NZACHGBRPKXGSI-UHFFFAOYSA-N 0 0 346.217 4.740 50 0 EJAARN Cc1cccc(-n2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)n2)c1 ZINC000034907498 563481896 /nfs/dbraw/zinc/48/18/96/563481896.db2.gz CSUNUMXNKWPOHA-UHFFFAOYSA-N 0 0 333.435 4.731 50 0 EJAARN Cc1cc(NC(=O)Cc2cccs2)nn1-c1ccc(C(C)C)cc1 ZINC000034909443 563482036 /nfs/dbraw/zinc/48/20/36/563482036.db2.gz XYSXBDHVDWPDMC-UHFFFAOYSA-N 0 0 339.464 4.547 50 0 EJAARN COc1ccc(C(=O)c2c(N)sc3c2CC[C@@H](C(C)(C)C)C3)cc1 ZINC000003434706 563484599 /nfs/dbraw/zinc/48/45/99/563484599.db2.gz YENGKNWKJZXNQQ-CYBMUJFWSA-N 0 0 343.492 4.721 50 0 EJAARN Cc1ccc(-c2nc3ccccn3c2NC(=O)c2ccc(F)cc2)cc1 ZINC000034912840 563484900 /nfs/dbraw/zinc/48/49/00/563484900.db2.gz WVFIACGJDVGEBL-UHFFFAOYSA-N 0 0 345.377 4.701 50 0 EJAARN Cc1ccn2c(c1)nc(-c1cccc(Cl)c1)c2NC(=O)C(C)(C)C ZINC000034913170 563485103 /nfs/dbraw/zinc/48/51/03/563485103.db2.gz VHBDGMJKSFXQGZ-UHFFFAOYSA-N 0 0 341.842 4.948 50 0 EJAARN CC(=O)c1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1 ZINC000003479750 563485663 /nfs/dbraw/zinc/48/56/63/563485663.db2.gz KPYIXUQHMKFLCW-UHFFFAOYSA-N 0 0 333.840 4.664 50 0 EJAARN C[C@H]1CCc2nc(NC(=O)Cc3cccc4ccccc43)sc2C1 ZINC000004069834 563492972 /nfs/dbraw/zinc/49/29/72/563492972.db2.gz ZYAUTFMPQGHWGZ-ZDUSSCGKSA-N 0 0 336.460 4.602 50 0 EJAARN CC(C)c1ccc(CNc2ccc(N3CCOCC3)c(Cl)c2)cc1 ZINC000004113112 563494819 /nfs/dbraw/zinc/49/48/19/563494819.db2.gz WMVLQAKXJXMQNL-UHFFFAOYSA-N 0 0 344.886 4.912 50 0 EJAARN CCOC(=O)c1ccc(NC(=N)SCc2ccc(Cl)cc2)cc1 ZINC000004347962 563500823 /nfs/dbraw/zinc/50/08/23/563500823.db2.gz VEVXYPKYXFKGPD-UHFFFAOYSA-N 0 0 348.855 4.797 50 0 EJAARN Cc1oc2ccccc2c1CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000004389009 563502100 /nfs/dbraw/zinc/50/21/00/563502100.db2.gz PARKJNQPOYGMSD-UHFFFAOYSA-N 0 0 349.308 4.821 50 0 EJAARN C/C=C/c1ccc(OCCCCOc2ccc(OC)cc2)c(OC)c1 ZINC000004701927 563508481 /nfs/dbraw/zinc/50/84/81/563508481.db2.gz OIZMOTBUNUATGA-QPJJXVBHSA-N 0 0 342.435 4.975 50 0 EJAARN Cc1ccccc1-n1cnc2cc(NC(=O)c3cccs3)ccc21 ZINC000004758032 563510452 /nfs/dbraw/zinc/51/04/52/563510452.db2.gz SDGYMXHMCMEASN-UHFFFAOYSA-N 0 0 333.416 4.648 50 0 EJAARN Oc1ccc(Br)c(/C=C/c2ccc3cccc(O)c3n2)c1 ZINC000004755178 563510470 /nfs/dbraw/zinc/51/04/70/563510470.db2.gz MGJMCDYBWOPNOA-FNORWQNLSA-N 0 0 342.192 4.579 50 0 EJAARN CN(C)c1ccc([C@H](O)c2ccc(O)c3ccccc32)c2ccccc21 ZINC000004773787 563510712 /nfs/dbraw/zinc/51/07/12/563510712.db2.gz HKCIKFSBFIXGCA-QHCPKHFHSA-N 0 0 343.426 4.846 50 0 EJAARN Cc1cccc(NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(Cl)Cl)c1C ZINC000004955917 563516293 /nfs/dbraw/zinc/51/62/93/563516293.db2.gz SIGDMDPKDYWZES-CVEARBPZSA-N 0 0 334.246 4.829 50 0 EJAARN CC1CCN(c2ccc(NC(=O)c3ccccc3)cc2Cl)CC1 ZINC000004998893 563518233 /nfs/dbraw/zinc/51/82/33/563518233.db2.gz PJTRDJGOLQFVPR-UHFFFAOYSA-N 0 0 328.843 4.829 50 0 EJAARN O=C(Nc1ccc(F)c(Cl)c1)[C@@H](Cc1ccccc1)n1cccc1 ZINC000005055383 563520140 /nfs/dbraw/zinc/52/01/40/563520140.db2.gz RMRQJFDLEYBYJU-GOSISDBHSA-N 0 0 342.801 4.703 50 0 EJAARN Cc1nc2c(-c3ccccc3)cnn2c(NCc2ccccc2)c1C ZINC000005202981 563523015 /nfs/dbraw/zinc/52/30/15/563523015.db2.gz YHNLWQUQRDZZCZ-UHFFFAOYSA-N 0 0 328.419 4.625 50 0 EJAARN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC(=O)[C@H]3[C@H]4CCC[C@@]4(C)CC[C@H]32)C1 ZINC000005227319 563523210 /nfs/dbraw/zinc/52/32/10/563523210.db2.gz KLFLXXSXHKVJTP-YRFCBLNGSA-N 0 0 332.484 4.530 50 0 EJAARN CC[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(C)cc3)=NN21 ZINC000005235444 563523640 /nfs/dbraw/zinc/52/36/40/563523640.db2.gz CMKUHKJNAPHLJF-HKUYNNGSSA-N 0 0 326.827 4.928 50 0 EJAARN Cc1ccc(-c2cnn3c2nc(C)cc3NCCc2ccccc2)cc1 ZINC000005304651 563525989 /nfs/dbraw/zinc/52/59/89/563525989.db2.gz XNCGMPPWEBDQEN-UHFFFAOYSA-N 0 0 342.446 4.668 50 0 EJAARN COc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1Cl ZINC000005481574 563534640 /nfs/dbraw/zinc/53/46/40/563534640.db2.gz OPTXFTDSSLASSW-UHFFFAOYSA-N 0 0 347.842 4.664 50 0 EJAARN COc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH]c2=S ZINC000005895892 563553351 /nfs/dbraw/zinc/55/33/51/563553351.db2.gz QBDZGLOGVAKLBQ-UHFFFAOYSA-N 0 0 333.416 4.759 50 0 EJAARN C[C@H](Nc1ccc(CS(=O)(=O)C(C)(C)C)cc1)c1ccccc1F ZINC000071902641 563555443 /nfs/dbraw/zinc/55/54/43/563555443.db2.gz CKBOTYMOECPTEO-AWEZNQCLSA-N 0 0 349.471 4.712 50 0 EJAARN Cc1nnc([C@@H](C)Nc2ccc(Oc3cccc4cccnc43)cc2)o1 ZINC000071902627 563555453 /nfs/dbraw/zinc/55/54/53/563555453.db2.gz RMOBJVLEEAYKTB-CYBMUJFWSA-N 0 0 346.390 4.892 50 0 EJAARN CCOc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](C(C)C)O2 ZINC000006048342 563558099 /nfs/dbraw/zinc/55/80/99/563558099.db2.gz NXTMWQFQILLCDW-FPOVZHCZSA-N 0 0 336.435 4.611 50 0 EJAARN CCOc1ccc2nc(NC(=O)Cc3ccc(Cl)cc3)sc2c1 ZINC000006242789 563562351 /nfs/dbraw/zinc/56/23/51/563562351.db2.gz UDQDHJYOGJOAPW-UHFFFAOYSA-N 0 0 346.839 4.530 50 0 EJAARN Cc1nn2c(nc3c(c2NCC(C)C)CCCC3)c1-c1ccccc1 ZINC000002353858 563563676 /nfs/dbraw/zinc/56/36/76/563563676.db2.gz DBEFTGFMEDUPLX-UHFFFAOYSA-N 0 0 334.467 4.651 50 0 EJAARN CCN(C(=O)c1cccc(NC(=O)c2ccccc2)c1)c1ccccc1 ZINC000006274657 563563680 /nfs/dbraw/zinc/56/36/80/563563680.db2.gz TYVZMJSBMMUNCQ-UHFFFAOYSA-N 0 0 344.414 4.606 50 0 EJAARN CC1(C)Cc2nc(NC(=O)CCC3CCCCC3)sc2C(=O)C1 ZINC000006308722 563564785 /nfs/dbraw/zinc/56/47/85/563564785.db2.gz MDZXORYXLGOIQR-UHFFFAOYSA-N 0 0 334.485 4.597 50 0 EJAARN CC(C)Cc1ccc(/C=C/C(=O)Nc2cc(F)c(F)cc2F)cc1 ZINC000002383623 563566959 /nfs/dbraw/zinc/56/69/59/563566959.db2.gz SCFAMLLJBVUCHH-BQYQJAHWSA-N 0 0 333.353 4.954 50 0 EJAARN COc1ccc(-c2cc(-c3ccc4ccccc4c3O)[nH]n2)cc1OC ZINC000006493634 563570043 /nfs/dbraw/zinc/57/00/43/563570043.db2.gz ICXLGEZBHYTHDQ-UHFFFAOYSA-N 0 0 346.386 4.620 50 0 EJAARN O=C1Nc2cc3ccccc3cc2[C@](c2ccccc2)(C(F)(F)F)N1 ZINC000006530131 563571068 /nfs/dbraw/zinc/57/10/68/563571068.db2.gz DCKHLQIMHAFHKH-GOSISDBHSA-N 0 0 342.320 4.781 50 0 EJAARN COc1ccc(C)cc1-c1csc(NC(=O)c2ccc(F)cc2)n1 ZINC000010577829 563571069 /nfs/dbraw/zinc/57/10/69/563571069.db2.gz HYYKEKGUIJTNJK-UHFFFAOYSA-N 0 0 342.395 4.519 50 0 EJAARN CCCOc1cccc(C(=O)Nc2ccc(N(CC)CC)cc2C)c1 ZINC000006629707 563575123 /nfs/dbraw/zinc/57/51/23/563575123.db2.gz ZOSWWBAPAIVRJP-UHFFFAOYSA-N 0 0 340.467 4.882 50 0 EJAARN CCCCOc1ccc(-c2cc(=O)oc(-c3cccs3)n2)cc1 ZINC000006719005 563582345 /nfs/dbraw/zinc/58/23/45/563582345.db2.gz WEAWVEQBMBACJR-UHFFFAOYSA-N 0 0 327.405 4.609 50 0 EJAARN CCn1c(SCc2ccc(Cl)cc2)nnc1-c1cccs1 ZINC000002548727 563586406 /nfs/dbraw/zinc/58/64/06/563586406.db2.gz JEHLAFOWMREKAJ-UHFFFAOYSA-N 0 0 335.885 4.972 50 0 EJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cc(C)cc(C)n1 ZINC000006796487 563586634 /nfs/dbraw/zinc/58/66/34/563586634.db2.gz HUAYQTCZKZHGAC-UHFFFAOYSA-N 0 0 341.798 4.568 50 0 EJAARN COc1ccc(Cc2nnc(/C=C/c3cccc4ccccc34)o2)cc1 ZINC000006793588 563586804 /nfs/dbraw/zinc/58/68/04/563586804.db2.gz YUDPGEGYVPUHCX-SDNWHVSQSA-N 0 0 342.398 4.993 50 0 EJAARN CCN(C(=O)Cc1ccccc1)c1nc(-c2ccc(C)cc2)cs1 ZINC000006826526 563588317 /nfs/dbraw/zinc/58/83/17/563588317.db2.gz KYKSFXLYFGLCJO-UHFFFAOYSA-N 0 0 336.460 4.714 50 0 EJAARN COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3CC(C)C)c1 ZINC000006832565 563588348 /nfs/dbraw/zinc/58/83/48/563588348.db2.gz BDTPXVPXFDPGSX-FPOVZHCZSA-N 0 0 336.435 4.611 50 0 EJAARN Cc1cc(C)cc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1 ZINC000002639486 563596655 /nfs/dbraw/zinc/59/66/55/563596655.db2.gz GGGWUJWQHDFOQA-UHFFFAOYSA-N 0 0 347.443 4.932 50 0 EJAARN Cc1nn([C@@H](C)CC(=O)Nc2cc(Cl)cc(Cl)c2)c(C)c1C ZINC000007616335 563607844 /nfs/dbraw/zinc/60/78/44/563607844.db2.gz UPEBCMZPPDSZNH-VIFPVBQESA-N 0 0 340.254 4.705 50 0 EJAARN CCCNc1cc(C)nc2c(-c3ccccc3)c(C(F)(F)F)nn21 ZINC000007636204 563608320 /nfs/dbraw/zinc/60/83/20/563608320.db2.gz 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/nfs/dbraw/zinc/61/83/75/563618375.db2.gz IZRPXALTMCMPBB-UHFFFAOYSA-N 0 0 337.828 4.594 50 0 EJAARN O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)C1CCCCC1 ZINC000002961328 563622470 /nfs/dbraw/zinc/62/24/70/563622470.db2.gz NXNJBBQMNNDZTN-UHFFFAOYSA-N 0 0 337.448 4.877 50 0 EJAARN O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)Nc1cccc(Cl)c1 ZINC000008160828 563622759 /nfs/dbraw/zinc/62/27/59/563622759.db2.gz WBNDPUFLLKDBBZ-QGZVFWFLSA-N 0 0 346.814 4.542 50 0 EJAARN CCn1cccc1-c1nc(C)c(C(=O)Nc2ccc(C)c(C)c2)s1 ZINC000033293236 563623170 /nfs/dbraw/zinc/62/31/70/563623170.db2.gz YVUHHADCAPTBII-UHFFFAOYSA-N 0 0 339.464 4.809 50 0 EJAARN CCOc1ccc2ccccc2c1C(=O)Nc1cccc([C@H](C)O)c1 ZINC000008382806 563628604 /nfs/dbraw/zinc/62/86/04/563628604.db2.gz NHRIQMHSQXDGKV-AWEZNQCLSA-N 0 0 335.403 4.544 50 0 EJAARN O=Cc1ccc(-c2ccc(NC(=O)OCc3ccccc3)cc2)cc1 ZINC000008699303 563635730 /nfs/dbraw/zinc/63/57/30/563635730.db2.gz VNWRCUFWYFESLU-UHFFFAOYSA-N 0 0 331.371 4.915 50 0 EJAARN CCCc1cc(C(=O)OCC(=O)c2ccc(C)cc2)c2ccccc2n1 ZINC000008714767 563636709 /nfs/dbraw/zinc/63/67/09/563636709.db2.gz NACMDXHRKUQHIW-UHFFFAOYSA-N 0 0 347.414 4.535 50 0 EJAARN Cc1cccc(NCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)c1 ZINC000008715532 563637321 /nfs/dbraw/zinc/63/73/21/563637321.db2.gz MFFCKBRVPRAFRA-UHFFFAOYSA-N 0 0 347.443 4.572 50 0 EJAARN Cc1nc(Nc2ccccc2)nc2c1C(=O)C[C@H](c1cccs1)C2 ZINC000010156565 563646055 /nfs/dbraw/zinc/64/60/55/563646055.db2.gz BFIXVZVZAAEJMT-CYBMUJFWSA-N 0 0 335.432 4.503 50 0 EJAARN O=C(Nc1ccc(Cl)cc1)Nc1ccccc1OC[C@@H]1CCCO1 ZINC000010155755 563646083 /nfs/dbraw/zinc/64/60/83/563646083.db2.gz IREGWBXWWBLUGA-HNNXBMFYSA-N 0 0 346.814 4.542 50 0 EJAARN O=C(Nc1ccc(SC(F)F)cc1)N1CCC[C@@H]1c1ccncc1 ZINC000043118811 563649168 /nfs/dbraw/zinc/64/91/68/563649168.db2.gz PJYXCTYKZHXQRL-OAHLLOKOSA-N 0 0 349.406 4.765 50 0 EJAARN CCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2c(C)cccc2C)C1 ZINC000011692463 563650883 /nfs/dbraw/zinc/65/08/83/563650883.db2.gz JJWDJSGONSFKAA-KRWDZBQOSA-N 0 0 347.462 4.584 50 0 EJAARN O=C(/C=C/c1ccccc1)Nc1ccc(OCCc2ccccc2)cc1 ZINC000012137982 563654319 /nfs/dbraw/zinc/65/43/19/563654319.db2.gz KMNAQAOBWXPHLF-LFIBNONCSA-N 0 0 343.426 4.960 50 0 EJAARN COc1cccc([C@H]2CC(=O)Nc3ccsc32)c1OC1CCCC1 ZINC000012371658 563658855 /nfs/dbraw/zinc/65/88/55/563658855.db2.gz RQRAVBLXJVZUHU-CQSZACIVSA-N 0 0 343.448 4.552 50 0 EJAARN CC(C)(C)C1CCC(C(=O)Nc2nc(-c3ccccn3)cs2)CC1 ZINC000012632213 563666464 /nfs/dbraw/zinc/66/64/64/563666464.db2.gz JMYOPPNKRVSCLW-UHFFFAOYSA-N 0 0 343.496 4.996 50 0 EJAARN O=C(Nc1ccc(N2CCCC2)cc1)C1(c2ccccc2)CCCC1 ZINC000012651788 563666859 /nfs/dbraw/zinc/66/68/59/563666859.db2.gz KSNGMRYNZOEUJM-UHFFFAOYSA-N 0 0 334.463 4.737 50 0 EJAARN O=C(Nc1ccc(Cl)cc1)c1occc1COc1ccccc1 ZINC000012792802 563672022 /nfs/dbraw/zinc/67/20/22/563672022.db2.gz PXBSDNBPYXLZBL-UHFFFAOYSA-N 0 0 327.767 4.764 50 0 EJAARN Cc1ccc([C@H](NC(=O)CCOc2ccccc2)c2ccccc2)cc1 ZINC000012801502 563673775 /nfs/dbraw/zinc/67/37/75/563673775.db2.gz RRDJSELHSLXOIA-HSZRJFAPSA-N 0 0 345.442 4.670 50 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4.532 50 0 EJAARN COc1ccc(NC(=O)c2ccc(Oc3ccc(F)cc3)cc2)cc1 ZINC000012974283 563679805 /nfs/dbraw/zinc/67/98/05/563679805.db2.gz RMTHGMIGRZBONY-UHFFFAOYSA-N 0 0 337.350 4.879 50 0 EJAARN Cc1ccc2c(C)c(CCC(=O)Nc3cccc(C)c3C)c(=O)oc2c1 ZINC000012977915 563680896 /nfs/dbraw/zinc/68/08/96/563680896.db2.gz KTMWUJNOBMAFOG-UHFFFAOYSA-N 0 0 349.430 4.598 50 0 EJAARN Cc1nc(COc2ccc(C(=O)Nc3ccc(C)cc3)cc2)cs1 ZINC000012985962 563681978 /nfs/dbraw/zinc/68/19/78/563681978.db2.gz AETFBROZBDBTCC-UHFFFAOYSA-N 0 0 338.432 4.591 50 0 EJAARN Fc1ccc(CSc2n[nH]c(Cc3cccs3)n2)c(Cl)c1 ZINC000013001909 563684795 /nfs/dbraw/zinc/68/47/95/563684795.db2.gz QMMKVHPPUHPKMT-UHFFFAOYSA-N 0 0 339.848 4.542 50 0 EJAARN CSc1ccccc1NC(=O)[C@H](C)N(C)Cc1ccc(Cl)cc1 ZINC000013095326 563687671 /nfs/dbraw/zinc/68/76/71/563687671.db2.gz JLIBJAWSGDUEFV-ZDUSSCGKSA-N 0 0 348.899 4.521 50 0 EJAARN CC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 ZINC000013130637 563689874 /nfs/dbraw/zinc/68/98/74/563689874.db2.gz 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Cc1cccc(C)c1NC(=O)Cc1csc(-c2cccs2)n1 ZINC000014115254 563742049 /nfs/dbraw/zinc/74/20/49/563742049.db2.gz FWVZCUVYTDJQAR-UHFFFAOYSA-N 0 0 328.462 4.670 50 0 EJAARN O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1ccccc1Cl ZINC000014141350 563745137 /nfs/dbraw/zinc/74/51/37/563745137.db2.gz DBNIRXUFOSRTRR-UHFFFAOYSA-N 0 0 346.814 4.784 50 0 EJAARN Cc1ccc(-c2csc(NC(=O)CCc3ccc(Cl)cc3)n2)o1 ZINC000014158083 563745640 /nfs/dbraw/zinc/74/56/40/563745640.db2.gz KYLDHCDJYAFZAI-UHFFFAOYSA-N 0 0 346.839 4.936 50 0 EJAARN Cc1ccc(C)c([C@@H](C)NC(=O)CCc2nc3ccccc3s2)c1 ZINC000014201684 563750600 /nfs/dbraw/zinc/75/06/00/563750600.db2.gz KGKGSCOHMWCYQX-OAHLLOKOSA-N 0 0 338.476 4.723 50 0 EJAARN O=C(Nc1ccc(F)c(F)c1F)c1ccc(-c2ccccc2F)o1 ZINC000014226724 563752470 /nfs/dbraw/zinc/75/24/70/563752470.db2.gz ICMHTNZJTIYAGW-UHFFFAOYSA-N 0 0 335.256 4.755 50 0 EJAARN O=C(Cc1cccc2ccccc21)Nc1ccnn1CC1CCCCC1 ZINC000014228259 563752476 /nfs/dbraw/zinc/75/24/76/563752476.db2.gz IEGCZEKINZOGOP-UHFFFAOYSA-N 0 0 347.462 4.798 50 0 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4.567 50 0 EJAARN O=C1Nc2ccc(Br)cc2/C1=C/c1cccc(Cl)c1 ZINC000015016058 563772440 /nfs/dbraw/zinc/77/24/40/563772440.db2.gz GXAHQMQHHHLBDQ-QPEQYQDCSA-N 0 0 334.600 4.595 50 0 EJAARN O=C1Nc2ccc(Cl)cc2[C@H]1Cc1ccccc1OC1CCCC1 ZINC000015017744 563773338 /nfs/dbraw/zinc/77/33/38/563773338.db2.gz HUIXKZPZPOHLQW-QGZVFWFLSA-N 0 0 341.838 4.940 50 0 EJAARN O=C1S/C(=C/c2ccccc2Cl)C(=O)N1Cc1ccccc1 ZINC000015019182 563773566 /nfs/dbraw/zinc/77/35/66/563773566.db2.gz NPIXDCQKFNNIPZ-XNTDXEJSSA-N 0 0 329.808 4.577 50 0 EJAARN O=C1C[C@@H](c2nc3cc(Cl)ccc3o2)CN1c1ccc(Cl)cc1 ZINC000015081932 563777151 /nfs/dbraw/zinc/77/71/51/563777151.db2.gz DAZSOGYYQCRDGQ-SNVBAGLBSA-N 0 0 347.201 4.655 50 0 EJAARN CC(C)(C)[C@@H]1CCc2c(sc3c2[C@H](c2cccnc2)CC(=O)N3)C1 ZINC000015106477 563777860 /nfs/dbraw/zinc/77/78/60/563777860.db2.gz YRKWTXYCIYWYJZ-HIFRSBDPSA-N 0 0 340.492 4.768 50 0 EJAARN O=C(CSCc1nc2ccccc2[nH]1)c1ccc2c(c1)CCCC2 ZINC000015108535 563778372 /nfs/dbraw/zinc/77/83/72/563778372.db2.gz QUHCEHPCYSQTMZ-UHFFFAOYSA-N 0 0 336.460 4.558 50 0 EJAARN O=C(Nc1cccnc1)c1cc2cc(Oc3ccccc3)ccc2[nH]1 ZINC000004561185 563781853 /nfs/dbraw/zinc/78/18/53/563781853.db2.gz XMWLPWFOSSHQDY-UHFFFAOYSA-N 0 0 329.359 4.608 50 0 EJAARN COc1cc(C(=O)N(C)c2ccccc2)ccc1OCc1ccccc1 ZINC000015349299 563783506 /nfs/dbraw/zinc/78/35/06/563783506.db2.gz ZPILWTPQDFQEDI-UHFFFAOYSA-N 0 0 347.414 4.551 50 0 EJAARN COc1ccc(N[C@@H](C)c2nnc(-c3ccccc3)o2)cc1Cl ZINC000015471469 563785001 /nfs/dbraw/zinc/78/50/01/563785001.db2.gz PXSXEHZRGADEDF-NSHDSACASA-N 0 0 329.787 4.572 50 0 EJAARN CN(Cc1ccc2ccccc2c1)C(=O)COc1ccc(Cl)cc1 ZINC000015520210 563786084 /nfs/dbraw/zinc/78/60/84/563786084.db2.gz HEWINMSAXBPTQA-UHFFFAOYSA-N 0 0 339.822 4.531 50 0 EJAARN Cc1nc(SC[C@H](O)c2ccc(F)cc2)n(C2CCCC2)c1C ZINC000032900844 563786970 /nfs/dbraw/zinc/78/69/70/563786970.db2.gz KBLPSYNPQJUKAO-KRWDZBQOSA-N 0 0 334.460 4.580 50 0 EJAARN COc1ccc(C)cc1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 ZINC000015682714 563790302 /nfs/dbraw/zinc/79/03/02/563790302.db2.gz HUHWLFVFPLJYSY-GFCCVEGCSA-N 0 0 335.856 4.776 50 0 EJAARN Cc1c2ccc(C)cc2oc1C(=O)N(Cc1ccccc1F)C1CC1 ZINC000015832136 563793378 /nfs/dbraw/zinc/79/33/78/563793378.db2.gz OIQASXBCSXAUSO-UHFFFAOYSA-N 0 0 337.394 4.994 50 0 EJAARN Cc1ccc(-c2nc(CNC(=O)c3ccc(Cl)cc3)cs2)cc1 ZINC000015832473 563793710 /nfs/dbraw/zinc/79/37/10/563793710.db2.gz RETBVKCYQXXLRS-UHFFFAOYSA-N 0 0 342.851 4.702 50 0 EJAARN Cc1ccc(C(=O)N[C@@H](c2cccnc2)c2cc(C)ccc2C)cc1 ZINC000015839820 563795047 /nfs/dbraw/zinc/79/50/47/563795047.db2.gz LOSVBFIMSIGUTO-NRFANRHFSA-N 0 0 330.431 4.526 50 0 EJAARN CCCOc1ccc(NC(=O)c2cccc(Cl)c2)c2cccnc12 ZINC000015841009 563795800 /nfs/dbraw/zinc/79/58/00/563795800.db2.gz UIGHUOPXKVURBQ-UHFFFAOYSA-N 0 0 340.810 4.929 50 0 EJAARN CC(C)c1cc([C@@H]2CCCN2Cc2c[nH]nc2-c2cccs2)no1 ZINC000015866871 563797815 /nfs/dbraw/zinc/79/78/15/563797815.db2.gz LHWMBBUVTYGXOJ-HNNXBMFYSA-N 0 0 342.468 4.587 50 0 EJAARN Cc1ccc([C@@H]2CCCCCN2S(=O)(=O)Cc2ccccc2)s1 ZINC000015866779 563797854 /nfs/dbraw/zinc/79/78/54/563797854.db2.gz RHBCGBPQDCBUHW-KRWDZBQOSA-N 0 0 349.521 4.504 50 0 EJAARN COc1ccc(-c2ccc(CCC(=O)Nc3cccc(F)c3)o2)cc1 ZINC000015867360 563798896 /nfs/dbraw/zinc/79/88/96/563798896.db2.gz AIZTWASEIFQYDT-UHFFFAOYSA-N 0 0 339.366 4.666 50 0 EJAARN COc1ccc(-c2ccc(CCC(=O)Nc3ccccc3C)o2)cc1 ZINC000015867389 563798903 /nfs/dbraw/zinc/79/89/03/563798903.db2.gz YHPLKGSJUXUKDX-UHFFFAOYSA-N 0 0 335.403 4.835 50 0 EJAARN Cc1nn(-c2ccc(C(=O)N3CCCCCCC3)cc2)c(C)c1Cl ZINC000015992816 563801552 /nfs/dbraw/zinc/80/15/52/563801552.db2.gz SBMUJOCLMNEWFM-UHFFFAOYSA-N 0 0 345.874 4.549 50 0 EJAARN Clc1ccccc1-c1nc(-c2ccccc2Br)no1 ZINC000016124261 563804056 /nfs/dbraw/zinc/80/40/56/563804056.db2.gz QXTCOSGKUMUJDY-UHFFFAOYSA-N 0 0 335.588 4.820 50 0 EJAARN CCc1cccc(C)c1Nc1nnc(S[C@H]2CCCCC2=O)s1 ZINC000016328019 563808903 /nfs/dbraw/zinc/80/89/03/563808903.db2.gz XUHKSKVVQNQPRO-AWEZNQCLSA-N 0 0 347.509 4.756 50 0 EJAARN O=C1Nc2cc(Cl)ccc2/C1=C\c1cc(Br)cs1 ZINC000016407165 563810571 /nfs/dbraw/zinc/81/05/71/563810571.db2.gz BZMCATMALUXITK-VZUCSPMQSA-N 0 0 340.629 4.657 50 0 EJAARN Cc1occc1C(=O)Nc1nc(-c2cccc(Cl)c2)c(C)s1 ZINC000016580156 563815283 /nfs/dbraw/zinc/81/52/83/563815283.db2.gz WROBXWKFOYNGER-UHFFFAOYSA-N 0 0 332.812 4.926 50 0 EJAARN S=C(NCc1ccccc1)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000016703943 563821517 /nfs/dbraw/zinc/82/15/17/563821517.db2.gz BBCUEUKGFXZVSX-HNNXBMFYSA-N 0 0 348.924 4.541 50 0 EJAARN CCn1c(SCc2cccc3ccccc32)nnc1-c1ccncc1 ZINC000016755474 563822953 /nfs/dbraw/zinc/82/29/53/563822953.db2.gz OQRIDHDHQFPHJC-UHFFFAOYSA-N 0 0 346.459 4.806 50 0 EJAARN O=C(Nc1ccc(Cl)cc1Cl)c1cc(-c2ccccc2)no1 ZINC000032922746 563824481 /nfs/dbraw/zinc/82/44/81/563824481.db2.gz WSZYMTGHZOPKOC-UHFFFAOYSA-N 0 0 333.174 4.901 50 0 EJAARN Cc1ccccc1-c1nnc(NC(=O)Nc2ccc(Cl)cc2)s1 ZINC000017057052 563830198 /nfs/dbraw/zinc/83/01/98/563830198.db2.gz PMRFEXXFHXPLQI-UHFFFAOYSA-N 0 0 344.827 4.811 50 0 EJAARN CC(=O)c1ccc(NC(=S)N[C@@H](C)c2ccc(C)c(C)c2)cc1 ZINC000017066832 563831156 /nfs/dbraw/zinc/83/11/56/563831156.db2.gz IQBWAQFDNYMEAA-AWEZNQCLSA-N 0 0 326.465 4.554 50 0 EJAARN C[C@@H](Sc1ccc(N)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000017071355 563834193 /nfs/dbraw/zinc/83/41/93/563834193.db2.gz JSROSNJVDYDFER-SECBINFHSA-N 0 0 341.263 4.695 50 0 EJAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000017072022 563835256 /nfs/dbraw/zinc/83/52/56/563835256.db2.gz RPXVZWKOTCPEBI-IYBDPMFKSA-N 0 0 345.446 4.700 50 0 EJAARN CC(C)c1ccc(C2=C/C(=C/c3ccc4c(c3)OCO4)C(=O)O2)cc1 ZINC000000320089 563840685 /nfs/dbraw/zinc/84/06/85/563840685.db2.gz OYJYWPDUYZUIKX-MFOYZWKCSA-N 0 0 334.371 4.520 50 0 EJAARN CCCc1ccc(Oc2c(C)[nH]nc2-c2ccc(O)c(C)c2O)cc1 ZINC000018068748 563847902 /nfs/dbraw/zinc/84/79/02/563847902.db2.gz BONHWABVHFBUKR-UHFFFAOYSA-N 0 0 338.407 4.850 50 0 EJAARN Cc1ccc2[nH]c(-c3cccc(NC(=O)c4cccs4)c3)nc2c1 ZINC000018220102 563851291 /nfs/dbraw/zinc/85/12/91/563851291.db2.gz BDHYTOROWXHRFW-UHFFFAOYSA-N 0 0 333.416 4.852 50 0 EJAARN COc1ccc(C)cc1NC(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000043279725 563861602 /nfs/dbraw/zinc/86/16/02/563861602.db2.gz SRBNKBDZUWEWRU-KRWDZBQOSA-N 0 0 328.387 4.512 50 0 EJAARN O=C(CCN1CCCc2ccccc21)Nc1cc(Cl)ccc1Cl ZINC000022197396 563862508 /nfs/dbraw/zinc/86/25/08/563862508.db2.gz XPFMIDVVPYFUBW-UHFFFAOYSA-N 0 0 349.261 4.775 50 0 EJAARN C[C@H](c1nc2ccccc2n1C(F)F)N1CCCc2ccccc21 ZINC000023016429 563865616 /nfs/dbraw/zinc/86/56/16/563865616.db2.gz YSXAKLKOBCZSHX-CYBMUJFWSA-N 0 0 327.378 4.945 50 0 EJAARN CCOc1ccc(-c2nc3ccccc3c(N3CCC[C@H](C)C3)n2)cc1 ZINC000023304495 563866495 /nfs/dbraw/zinc/86/64/95/563866495.db2.gz UXJMMPZKSBSFBA-INIZCTEOSA-N 0 0 347.462 4.932 50 0 EJAARN Cc1ccc(C)c(N2CCN(C/C(Cl)=C/c3ccccc3)CC2)c1 ZINC000023282241 563866534 /nfs/dbraw/zinc/86/65/34/563866534.db2.gz WMRZHUFZGXLISR-HKWRFOASSA-N 0 0 340.898 4.705 50 0 EJAARN Cc1ccc(C)c(Sc2ccc(NC(=O)[C@H]3CCCO3)cc2)c1 ZINC000024012302 563868180 /nfs/dbraw/zinc/86/81/80/563868180.db2.gz WIYMDEJEZUNRQD-QGZVFWFLSA-N 0 0 327.449 4.572 50 0 EJAARN Clc1ccc(Oc2ncnc3ccccc32)c(Br)c1 ZINC000024057697 563868754 /nfs/dbraw/zinc/86/87/54/563868754.db2.gz LHLMCLIYBCTMRG-UHFFFAOYSA-N 0 0 335.588 4.838 50 0 EJAARN CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc2ccccc2c1 ZINC000024190870 563869614 /nfs/dbraw/zinc/86/96/14/563869614.db2.gz YRWTYJXVWFNVMI-UHFFFAOYSA-N 0 0 344.458 4.712 50 0 EJAARN CC(=O)NCc1ccc(-c2nc3ccccc3c(C)c2Cl)s1 ZINC000024513155 563872150 /nfs/dbraw/zinc/87/21/50/563872150.db2.gz IPTXBSIBRIRAOR-UHFFFAOYSA-N 0 0 330.840 4.561 50 0 EJAARN CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(-c3nccs3)cc2)C1(C)C ZINC000024541685 563872534 /nfs/dbraw/zinc/87/25/34/563872534.db2.gz JLINGDSVELYWNQ-HZPDHXFCSA-N 0 0 326.465 4.987 50 0 EJAARN Cc1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)c1C ZINC000024960600 563878179 /nfs/dbraw/zinc/87/81/79/563878179.db2.gz QCXIHDQRNYVTSE-UHFFFAOYSA-N 0 0 325.799 4.599 50 0 EJAARN C/C=C/c1cc(C(=O)Nc2cnc3ccccc3c2)cc(OC)c1OC ZINC000025533587 563885729 /nfs/dbraw/zinc/88/57/29/563885729.db2.gz CCZPTRRAVWMVCQ-QPJJXVBHSA-N 0 0 348.402 4.537 50 0 EJAARN O=C(CCc1c[nH]c2ccccc12)N1CCC[C@H]1c1ccc(F)cc1 ZINC000025535008 563885822 /nfs/dbraw/zinc/88/58/22/563885822.db2.gz KDROTUYMCYBIEZ-FQEVSTJZSA-N 0 0 336.410 4.603 50 0 EJAARN CCOc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](C(C)C)O2 ZINC000025582981 563885989 /nfs/dbraw/zinc/88/59/89/563885989.db2.gz NXTMWQFQILLCDW-TZIWHRDSSA-N 0 0 336.435 4.611 50 0 EJAARN Cc1c(C(=O)Nc2nc(C3CC3)cs2)sc2cccc(F)c12 ZINC000025561756 563885994 /nfs/dbraw/zinc/88/59/94/563885994.db2.gz CCSGGYHFDTYEGI-UHFFFAOYSA-N 0 0 332.425 4.935 50 0 EJAARN O=C(CCc1ccccc1F)N[C@H](c1cccs1)c1ccccc1 ZINC000025603168 563886385 /nfs/dbraw/zinc/88/63/85/563886385.db2.gz XQMKQBPKJSPYHZ-FQEVSTJZSA-N 0 0 339.435 4.726 50 0 EJAARN C[C@@H](NC(=O)CCN1c2ccccc2Sc2ccccc21)C1CC1 ZINC000025593192 563886433 /nfs/dbraw/zinc/88/64/33/563886433.db2.gz DVVMCFYDGXGZJH-CQSZACIVSA-N 0 0 338.476 4.594 50 0 EJAARN O=C(c1c[nH]c2ccccc12)[C@@H](NCc1cccs1)c1ccccc1 ZINC000025665674 563887068 /nfs/dbraw/zinc/88/70/68/563887068.db2.gz KZVVHEJWCBOWNQ-FQEVSTJZSA-N 0 0 346.455 4.943 50 0 EJAARN O=C(c1c[nH]c2ccccc12)[C@H](NCc1cccs1)c1ccccc1 ZINC000025665679 563887076 /nfs/dbraw/zinc/88/70/76/563887076.db2.gz KZVVHEJWCBOWNQ-HXUWFJFHSA-N 0 0 346.455 4.943 50 0 EJAARN C[C@@H](N[C@H](C)c1ccccc1Cl)c1nnc(-c2ccccc2)o1 ZINC000026362658 563891062 /nfs/dbraw/zinc/89/10/62/563891062.db2.gz SJLYNPRQXHSQDD-CHWSQXEVSA-N 0 0 327.815 4.802 50 0 EJAARN CSc1nnc(S[C@@H](C)c2ncc(-c3ccccc3)o2)s1 ZINC000069975530 563892722 /nfs/dbraw/zinc/89/27/22/563892722.db2.gz NJMCJPHFGXKPHG-VIFPVBQESA-N 0 0 335.479 4.768 50 0 EJAARN CCOC(=O)Nc1c(-c2ccc(Cl)cc2)nc2c(C)cccn21 ZINC000026687932 563892791 /nfs/dbraw/zinc/89/27/91/563892791.db2.gz YLSBANRUSMJKFA-UHFFFAOYSA-N 0 0 329.787 4.532 50 0 EJAARN Cc1noc(C)c1CCC(=O)OCc1sc2ccccc2c1Cl ZINC000026887635 563893811 /nfs/dbraw/zinc/89/38/11/563893811.db2.gz UZPXJJBGIARRKD-UHFFFAOYSA-N 0 0 349.839 4.836 50 0 EJAARN Cc1ccc(-c2nnc3ccccc3c2C(=O)N2CCCCCC2)cc1 ZINC000032952871 563894509 /nfs/dbraw/zinc/89/45/09/563894509.db2.gz ASCPTYHPFHPSGJ-UHFFFAOYSA-N 0 0 345.446 4.621 50 0 EJAARN Cc1cc2occ(CC(=O)NCCSc3ccccc3)c2cc1C ZINC000027132827 563894826 /nfs/dbraw/zinc/89/48/26/563894826.db2.gz ITJQUDUNZHHAHL-UHFFFAOYSA-N 0 0 339.460 4.501 50 0 EJAARN Cc1ccc(-n2ccnc2S[C@@H](C)c2nc(C(C)C)no2)cc1C ZINC000027810930 563899883 /nfs/dbraw/zinc/89/98/83/563899883.db2.gz GNMFHCBUHROLPI-AWEZNQCLSA-N 0 0 342.468 4.849 50 0 EJAARN CC(C)Oc1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)no2)cc1 ZINC000027990661 563900808 /nfs/dbraw/zinc/90/08/08/563900808.db2.gz XTFSZROGFMBFEV-UHFFFAOYSA-N 0 0 340.354 4.520 50 0 EJAARN Cc1cc(C(=O)N[C@H]2CCSc3c(F)cccc32)c(C)n1C1CC1 ZINC000028043889 563901261 /nfs/dbraw/zinc/90/12/61/563901261.db2.gz OPOBUGRKWVOAQX-KRWDZBQOSA-N 0 0 344.455 4.546 50 0 EJAARN O=C(c1cccs1)N(Cc1ccccc1Cl)c1ccccn1 ZINC000028290848 563902158 /nfs/dbraw/zinc/90/21/58/563902158.db2.gz WXOJAXRHQLQCGO-UHFFFAOYSA-N 0 0 328.824 4.644 50 0 EJAARN CC(C)c1ccc(OC[C@H](C)NC(=O)c2ccc(Cl)cc2)cc1 ZINC000028290928 563902187 /nfs/dbraw/zinc/90/21/87/563902187.db2.gz AOCOOAXDMOFETL-AWEZNQCLSA-N 0 0 331.843 4.661 50 0 EJAARN O=C(c1cccs1)N(Cc1ccc(F)cc1Cl)c1ccccn1 ZINC000028292160 563902266 /nfs/dbraw/zinc/90/22/66/563902266.db2.gz PWSWLRXREJECHG-UHFFFAOYSA-N 0 0 346.814 4.783 50 0 EJAARN COc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c2cccnc12 ZINC000028293304 563902322 /nfs/dbraw/zinc/90/23/22/563902322.db2.gz WHRKSTUSWPNXQS-UHFFFAOYSA-N 0 0 334.419 4.793 50 0 EJAARN CC(=O)NCc1ccc(-c2csc(-c3sccc3C)n2)s1 ZINC000028334585 563902524 /nfs/dbraw/zinc/90/25/24/563902524.db2.gz BETWNZVTDKPBMR-UHFFFAOYSA-N 0 0 334.491 4.545 50 0 EJAARN COc1ccc(-c2csc(NC(=O)c3c(C)oc(C)c3C)n2)cc1 ZINC000028715919 563903967 /nfs/dbraw/zinc/90/39/67/563903967.db2.gz IRVRYKCSBRZFQX-UHFFFAOYSA-N 0 0 342.420 4.589 50 0 EJAARN FC(F)Oc1ccccc1CN[C@H](c1ccccc1)c1ccccn1 ZINC000070037945 563903969 /nfs/dbraw/zinc/90/39/69/563903969.db2.gz BSBJMMDUIAHWQU-LJQANCHMSA-N 0 0 340.373 4.562 50 0 EJAARN COCc1ccccc1NC(=O)Nc1cccc(-c2nccs2)c1 ZINC000072282536 563905622 /nfs/dbraw/zinc/90/56/22/563905622.db2.gz XUVGQYNUEVVURP-UHFFFAOYSA-N 0 0 339.420 4.601 50 0 EJAARN C[C@H]1c2cccn2CCN1C(=O)c1sc2ccccc2c1Cl ZINC000029379364 563905891 /nfs/dbraw/zinc/90/58/91/563905891.db2.gz YTVWTMWWPBWRGK-NSHDSACASA-N 0 0 330.840 4.573 50 0 EJAARN CCCCC[C@H](C)NC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000029432261 563906338 /nfs/dbraw/zinc/90/63/38/563906338.db2.gz NVOCKRGNCORKAK-ZDUSSCGKSA-N 0 0 334.460 4.577 50 0 EJAARN CCCCNC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 ZINC000029514533 563906991 /nfs/dbraw/zinc/90/69/91/563906991.db2.gz DBBTUSMECANQQV-UHFFFAOYSA-N 0 0 338.382 4.678 50 0 EJAARN Cc1cccc(/C=C(/C(=O)N2CCC[C@@H](C)C2)c2cccs2)c1 ZINC000029510805 563907009 /nfs/dbraw/zinc/90/70/09/563907009.db2.gz DMWBNIKJSBSASB-APVMCDBPSA-N 0 0 325.477 4.856 50 0 EJAARN C[C@H](Sc1nc2ccccc2s1)c1nc(-c2ccco2)no1 ZINC000029738106 563908221 /nfs/dbraw/zinc/90/82/21/563908221.db2.gz QGGQWJOFNJPFTA-VIFPVBQESA-N 0 0 329.406 4.793 50 0 EJAARN CO[C@H](C)c1cccc(NC(=O)NC(C)(C)c2nc(C)c(C)s2)c1 ZINC000072290936 563909062 /nfs/dbraw/zinc/90/90/62/563909062.db2.gz VLJRWBHJKUMQMS-GFCCVEGCSA-N 0 0 347.484 4.524 50 0 EJAARN Cn1ccnc1[C@@H](NCc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000030643067 563910128 /nfs/dbraw/zinc/91/01/28/563910128.db2.gz SKAIJEKSVIBKIT-FQEVSTJZSA-N 0 0 333.479 4.597 50 0 EJAARN Cc1nnc(-c2ccc(NC(=O)c3oc4c(cccc4C)c3C)cc2)o1 ZINC000072292940 563910383 /nfs/dbraw/zinc/91/03/83/563910383.db2.gz FOUUBZUDVXNYQS-UHFFFAOYSA-N 0 0 347.374 4.660 50 0 EJAARN Cc1noc(C)c1[C@H]1CCCN1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000033270521 563915563 /nfs/dbraw/zinc/91/55/63/563915563.db2.gz DJONBORPAQKIRV-OAHLLOKOSA-N 0 0 333.819 4.622 50 0 EJAARN CC1=Nc2c(c(=O)[nH]n2C2CCCCC2)[C@H](c2ccc(O)cc2)S1 ZINC000071285089 563915864 /nfs/dbraw/zinc/91/58/64/563915864.db2.gz PQDVMMYRHNANKD-INIZCTEOSA-N 0 0 343.452 4.686 50 0 EJAARN CNc1nc2ccc(Br)cc2c(-c2ccccc2Cl)n1 ZINC000000275008 563917220 /nfs/dbraw/zinc/91/72/20/563917220.db2.gz VLWNGXHXOYZSKJ-UHFFFAOYSA-N 0 0 348.631 4.754 50 0 EJAARN Cc1cc(C)n(-c2cc(Oc3ccccc3)nc(-c3ccccc3)n2)n1 ZINC000000291882 563917248 /nfs/dbraw/zinc/91/72/48/563917248.db2.gz HIYNNKYBCNYGPW-UHFFFAOYSA-N 0 0 342.402 4.738 50 0 EJAARN c1ccc(COc2cccc(CNc3ccc4c(c3)OCO4)c2)cc1 ZINC000016663131 563918028 /nfs/dbraw/zinc/91/80/28/563918028.db2.gz CBFQLJKAOMTNKO-UHFFFAOYSA-N 0 0 333.387 4.606 50 0 EJAARN CCCOc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1 ZINC000005101243 563919130 /nfs/dbraw/zinc/91/91/30/563919130.db2.gz AWZPSGFHIZXGNG-UHFFFAOYSA-N 0 0 338.451 4.718 50 0 EJAARN COc1ccccc1[C@H](CC(=O)c1ccccc1)[C@H]1CCCCC1=O ZINC000005016802 563919133 /nfs/dbraw/zinc/91/91/33/563919133.db2.gz ZVJXAYGMMPCTCX-IEBWSBKVSA-N 0 0 336.431 4.811 50 0 EJAARN Oc1ccc(-c2cc(-c3ccccc3)nc(N3CCCCC3)n2)cc1 ZINC000006669561 563919274 /nfs/dbraw/zinc/91/92/74/563919274.db2.gz LZBUNVKDSYQTBV-UHFFFAOYSA-N 0 0 331.419 4.507 50 0 EJAARN CCC(C)(C)NC(=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC000032963829 563919831 /nfs/dbraw/zinc/91/98/31/563919831.db2.gz GPAKCFKUNOHNDG-UHFFFAOYSA-N 0 0 330.478 4.943 50 0 EJAARN CN(Cc1ccco1)[C@@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1 ZINC000034889811 563919889 /nfs/dbraw/zinc/91/98/89/563919889.db2.gz LBEDLKJHVOGPFV-OAQYLSRUSA-N 0 0 344.414 4.817 50 0 EJAARN O=C(NCCc1cccs1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000032988815 563920855 /nfs/dbraw/zinc/92/08/55/563920855.db2.gz IHCQDDBIWGDDEN-UHFFFAOYSA-N 0 0 333.884 4.572 50 0 EJAARN CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc(C(F)(F)F)cc2)C1 ZINC000040448234 563923099 /nfs/dbraw/zinc/92/30/99/563923099.db2.gz NSOAWCGGUDAFMR-CQSZACIVSA-N 0 0 344.377 4.517 50 0 EJAARN Cc1ccc([C@@H]2CCN(C(=S)Nc3cccc(Cl)c3)C2)cc1 ZINC000013543643 563929850 /nfs/dbraw/zinc/92/98/50/563929850.db2.gz CEMOOTYSHFFJLN-OAHLLOKOSA-N 0 0 330.884 4.835 50 0 EJAARN Cc1ccc(Cl)cc1NC(=S)N1CC[C@H](c2ccccc2)C1 ZINC000013543294 563929861 /nfs/dbraw/zinc/92/98/61/563929861.db2.gz IVKKTHHOCWGGHX-HNNXBMFYSA-N 0 0 330.884 4.835 50 0 EJAARN CCCN(CC)c1ccc(C(=O)N([C@H](C)c2ccco2)C2CC2)cc1 ZINC000060335658 563931389 /nfs/dbraw/zinc/93/13/89/563931389.db2.gz IUTCUTXGTBRYAB-MRXNPFEDSA-N 0 0 340.467 4.882 50 0 EJAARN Cc1csc(C(C)(C)NCc2csc(-c3ccccc3F)n2)n1 ZINC000071911970 563932264 /nfs/dbraw/zinc/93/22/64/563932264.db2.gz BGLSGDGKKHTPLF-UHFFFAOYSA-N 0 0 347.484 4.739 50 0 EJAARN Cc1cc(C(=O)N2CCCCC2)c2cccc(-c3ccccc3)c2n1 ZINC000033036702 563932445 /nfs/dbraw/zinc/93/24/45/563932445.db2.gz BGASFHPUFZPOEP-UHFFFAOYSA-N 0 0 330.431 4.836 50 0 EJAARN O=[N+]([O-])C(Cl)=C(Nc1ccccc1)C(Cl)=C(Cl)Cl ZINC000013739082 563932570 /nfs/dbraw/zinc/93/25/70/563932570.db2.gz DLDPTVLHFVQPFO-NTMALXAHSA-N 0 0 327.982 4.669 50 0 EJAARN C[C@]12CC3CC(C(=O)N4CCc5sccc5C4)(C1)C[C@@](C)(C3)C2 ZINC000055168797 563933883 /nfs/dbraw/zinc/93/38/83/563933883.db2.gz HLFWBOWLHXQQCQ-ODNNXGBQSA-N 0 0 329.509 4.629 50 0 EJAARN Cc1cc(N[C@@H](C)c2nnc(-c3ccccc3)o2)ccc1N1CCCC1 ZINC000057964459 563936089 /nfs/dbraw/zinc/93/60/89/563936089.db2.gz VQUKNCHZRNAISA-INIZCTEOSA-N 0 0 348.450 4.818 50 0 EJAARN CCCCOc1ccc2cc(C(=O)N(CC)Cc3ccco3)[nH]c2c1 ZINC000057985988 563936204 /nfs/dbraw/zinc/93/62/04/563936204.db2.gz NXIVPQNSZLHSMS-UHFFFAOYSA-N 0 0 340.423 4.602 50 0 EJAARN O=C(c1cccnc1Sc1ccccc1)N1CCCc2ccccc21 ZINC000058014234 563936590 /nfs/dbraw/zinc/93/65/90/563936590.db2.gz ZSWWBFYTDMGZKX-UHFFFAOYSA-N 0 0 346.455 4.826 50 0 EJAARN C[C@H](NC(=O)c1ccc(Sc2ccccn2)cc1)c1ccccc1 ZINC000058157310 563937952 /nfs/dbraw/zinc/93/79/52/563937952.db2.gz YJETVXVRSYXMDO-HNNXBMFYSA-N 0 0 334.444 4.724 50 0 EJAARN CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccccc2OC(F)(F)F)C1(C)C ZINC000058166913 563938725 /nfs/dbraw/zinc/93/87/25/563938725.db2.gz HNEGKRNQEYRTHI-BXUZGUMPSA-N 0 0 327.346 4.762 50 0 EJAARN Cc1nnc([C@H](C)Sc2nc3ccccc3n2-c2ccccc2)o1 ZINC000058224031 563940308 /nfs/dbraw/zinc/94/03/08/563940308.db2.gz NNMPSCFIOTYSNK-LBPRGKRZSA-N 0 0 336.420 4.570 50 0 EJAARN O=C(Nc1ccc(F)c(F)c1F)N1CCCC[C@@H]1Cc1ccccc1 ZINC000058315141 563942404 /nfs/dbraw/zinc/94/24/04/563942404.db2.gz AQRVQMRYUOXALD-CQSZACIVSA-N 0 0 348.368 4.733 50 0 EJAARN Cc1nc2c3ccccc3nc(S[C@H](C)CCc3ccccc3)n2n1 ZINC000058358122 563943693 /nfs/dbraw/zinc/94/36/93/563943693.db2.gz OWZMYQKWUSVXQB-CQSZACIVSA-N 0 0 348.475 4.699 50 0 EJAARN O=C(Nc1ccccc1)c1cccc(CN2CCc3ccccc32)c1 ZINC000058369515 563944061 /nfs/dbraw/zinc/94/40/61/563944061.db2.gz ZXWJLNYXOKJDSE-UHFFFAOYSA-N 0 0 328.415 4.502 50 0 EJAARN Cc1ccc([C@@H](C)NC(=O)COc2ccc3oc4ccccc4c3c2)o1 ZINC000058414478 563945416 /nfs/dbraw/zinc/94/54/16/563945416.db2.gz HCDLKZKJADSNCT-CQSZACIVSA-N 0 0 349.386 4.744 50 0 EJAARN CC[C@H](NC(=O)[C@@H](C)c1c(C)noc1C)C12CC3CC(CC(C3)C1)C2 ZINC000058419525 563945687 /nfs/dbraw/zinc/94/56/87/563945687.db2.gz SOMGHNAOCKBOGS-RXUWJGMMSA-N 0 0 344.499 4.506 50 0 EJAARN O=C(NCc1cc2ccccc2[nH]1)c1ccccc1Oc1ccccc1 ZINC000058903313 563947407 /nfs/dbraw/zinc/94/74/07/563947407.db2.gz SXPHGDJEMOEEND-UHFFFAOYSA-N 0 0 342.398 4.890 50 0 EJAARN Cc1ccccc1CSc1nc2ccccc2c(=O)n1CC(C)C ZINC000059094227 563947624 /nfs/dbraw/zinc/94/76/24/563947624.db2.gz RYJCNJUGLGBLGD-UHFFFAOYSA-N 0 0 338.476 4.653 50 0 EJAARN Cc1ccc([C@H](C)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000059038182 563947635 /nfs/dbraw/zinc/94/76/35/563947635.db2.gz HATFCELUHLUFQL-AWEZNQCLSA-N 0 0 341.842 4.891 50 0 EJAARN CC[C@H]1CN(CC(=O)Nc2cccc(Cl)c2)c2ccccc2S1 ZINC000033059292 563951746 /nfs/dbraw/zinc/95/17/46/563951746.db2.gz HAHXCWMGYVGZKY-HNNXBMFYSA-N 0 0 346.883 4.669 50 0 EJAARN C[C@H](c1ncc(-c2ccccc2)o1)S(=O)(=O)[C@@H](C)c1cccs1 ZINC000096471560 563954674 /nfs/dbraw/zinc/95/46/74/563954674.db2.gz CDJTYNLYLQAJBI-QWHCGFSZSA-N 0 0 347.461 4.640 50 0 EJAARN CC(C)Oc1ccccc1CN1CCC[C@@H]1c1cc(C(C)C)no1 ZINC000064984503 563957545 /nfs/dbraw/zinc/95/75/45/563957545.db2.gz RUKFMSZHDHMDLE-GOSISDBHSA-N 0 0 328.456 4.922 50 0 EJAARN CCCc1cc([C@H]2CCCN2C(=O)Nc2ccc(C)c(C)c2)no1 ZINC000064984633 563957695 /nfs/dbraw/zinc/95/76/95/563957695.db2.gz MMBMBLHNCJCCGK-GOSISDBHSA-N 0 0 327.428 4.613 50 0 EJAARN CCCc1cc([C@@H]2CCCN2C(=O)Nc2ccc(C)c(Cl)c2)no1 ZINC000064984612 563957703 /nfs/dbraw/zinc/95/77/03/563957703.db2.gz MQAGPTZHQIGLLK-KRWDZBQOSA-N 0 0 347.846 4.958 50 0 EJAARN Fc1ccc(Oc2ccc(-c3noc(-c4ccccn4)n3)cc2)cc1 ZINC000065005426 563957941 /nfs/dbraw/zinc/95/79/41/563957941.db2.gz NVVGNXASXYIMEM-UHFFFAOYSA-N 0 0 333.322 4.730 50 0 EJAARN FC(F)(F)Oc1cc(Br)cc(OCc2ccccc2)c1 ZINC000065337253 563958067 /nfs/dbraw/zinc/95/80/67/563958067.db2.gz ZVKREHXYXUPPEJ-UHFFFAOYSA-N 0 0 347.130 4.927 50 0 EJAARN Cc1cccc(-c2c(-c3ccccc3)ncn2CCCn2ccnc2)c1 ZINC000065419266 563960576 /nfs/dbraw/zinc/96/05/76/563960576.db2.gz XEAOVAXNGKRSOX-UHFFFAOYSA-N 0 0 342.446 4.812 50 0 EJAARN Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1Cn1ccnc1 ZINC000067842981 563962864 /nfs/dbraw/zinc/96/28/64/563962864.db2.gz TYDIFJZDJADMMI-UHFFFAOYSA-N 0 0 331.375 4.687 50 0 EJAARN CCCC(=O)Nc1ccc2nc(N3CCC(C)CC3)cc(C)c2c1 ZINC000033084731 563963443 /nfs/dbraw/zinc/96/34/43/563963443.db2.gz XODHPXGADIDJOW-UHFFFAOYSA-N 0 0 325.456 4.518 50 0 EJAARN CCn1c(C)nnc1SCc1nc(-c2cccc(Cl)c2)oc1C ZINC000033130640 563963673 /nfs/dbraw/zinc/96/36/73/563963673.db2.gz GQBKTZLHWPQUCV-UHFFFAOYSA-N 0 0 348.859 4.516 50 0 EJAARN CCN(C(=O)c1csc(-c2ccc(C)o2)n1)c1ccccc1C ZINC000033165758 563964194 /nfs/dbraw/zinc/96/41/94/563964194.db2.gz PLJAIVWMBXNRHV-UHFFFAOYSA-N 0 0 326.421 4.687 50 0 EJAARN CCc1nn2c(nccc2-c2cccnc2)c1-c1cccc(Cl)c1 ZINC000071375891 563964215 /nfs/dbraw/zinc/96/42/15/563964215.db2.gz AVFGLQHLYSNBJJ-UHFFFAOYSA-N 0 0 334.810 4.674 50 0 EJAARN CCCc1cc2c(cc1OC)[C@]1(C)CCC[C@](C)(C(=O)OC)[C@@H]1CC2 ZINC000071770677 563965640 /nfs/dbraw/zinc/96/56/40/563965640.db2.gz YWUKWMSDEZJCQR-HJNYFJLDSA-N 0 0 344.495 4.831 50 0 EJAARN CCc1nc(-c2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)no1 ZINC000033254203 563966108 /nfs/dbraw/zinc/96/61/08/563966108.db2.gz WGNXTMQGYCBQGU-UHFFFAOYSA-N 0 0 341.798 4.513 50 0 EJAARN CC[C@H](C)NC(=O)Nc1ccc(-c2noc(C3CCCCC3)n2)cc1 ZINC000033257223 563966164 /nfs/dbraw/zinc/96/61/64/563966164.db2.gz PTINANSXEBPGNL-ZDUSSCGKSA-N 0 0 342.443 4.704 50 0 EJAARN O=C(CSc1ccc(F)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000000031609 563967557 /nfs/dbraw/zinc/96/75/57/563967557.db2.gz HMYWWBQSAKMPTI-UHFFFAOYSA-N 0 0 330.211 4.863 50 0 EJAARN Cc1csc(C2([NH2+]CCOc3cccc4ccccc43)CCC2)n1 ZINC000097141062 563968307 /nfs/dbraw/zinc/96/83/07/563968307.db2.gz RCVDOLSOBQRUFL-UHFFFAOYSA-N 0 0 338.476 4.653 50 0 EJAARN CCCc1ccc2oc(C(=O)N(C)CCC[C@H]3CCCO3)c(C)c2c1 ZINC000077407161 563969494 /nfs/dbraw/zinc/96/94/94/563969494.db2.gz IMBXDDVSGOPCKH-KRWDZBQOSA-N 0 0 343.467 4.725 50 0 EJAARN CCOc1cc([C@@H]2Nc3ccccc3C(CC)(CC)O2)ccc1O ZINC000000054351 563971015 /nfs/dbraw/zinc/97/10/15/563971015.db2.gz PEZZIPUWNQQLKD-LJQANCHMSA-N 0 0 327.424 4.947 50 0 EJAARN CC(=O)c1cc(C(=O)N2CCCC[C@H]2CCc2cccs2)cs1 ZINC000082100141 563972263 /nfs/dbraw/zinc/97/22/63/563972263.db2.gz UOVCVBJTMIDSCL-HNNXBMFYSA-N 0 0 347.505 4.640 50 0 EJAARN O=P1(Nc2ccc(F)c(Cl)c2)COc2ccccc2OC1 ZINC000004742584 563973001 /nfs/dbraw/zinc/97/30/01/563973001.db2.gz ZXORHOTZYLWDTM-UHFFFAOYSA-N 0 0 327.679 4.556 50 0 EJAARN C[C@H](Nc1ccc(NC(=O)N2CCCCCC2)cc1)[C@H]1CC1(F)F ZINC000585141470 563973399 /nfs/dbraw/zinc/97/33/99/563973399.db2.gz WLAJWTIMFWENNZ-XJKSGUPXSA-N 0 0 337.414 4.550 50 0 EJAARN Cc1csc(-c2cc(NC(=O)Cc3cccc(F)c3)c(C)s2)n1 ZINC000033308476 563973487 /nfs/dbraw/zinc/97/34/87/563973487.db2.gz ZGSWDOZWZUQOBS-UHFFFAOYSA-N 0 0 346.452 4.809 50 0 EJAARN O=C(Nc1c(-c2ccccc2)nc2ccccn21)Nc1ccc(F)cc1 ZINC000033312657 563973606 /nfs/dbraw/zinc/97/36/06/563973606.db2.gz OZOQFSXFOJFNSG-UHFFFAOYSA-N 0 0 346.365 4.784 50 0 EJAARN Cc1nc(NC2CCCCC2)sc1C(=O)Nc1cccc(F)c1 ZINC000033312278 563973628 /nfs/dbraw/zinc/97/36/28/563973628.db2.gz RRIRMQRKMDOKMO-UHFFFAOYSA-N 0 0 333.432 4.588 50 0 EJAARN Cc1ccc(C(=O)Nc2ccc3c(c2)ncn3-c2ccccc2C)cc1 ZINC000000103956 563973820 /nfs/dbraw/zinc/97/38/20/563973820.db2.gz FLBBZCLBOBLULO-UHFFFAOYSA-N 0 0 341.414 4.895 50 0 EJAARN O=C(NC[C@@H](c1ccco1)c1cccs1)c1cc2ccccc2o1 ZINC000585146758 563973989 /nfs/dbraw/zinc/97/39/89/563973989.db2.gz MATVLJQMMGEJAQ-AWEZNQCLSA-N 0 0 337.400 4.649 50 0 EJAARN O=C(Nc1ccccc1)c1ccccc1-c1nc(-c2ccccc2)no1 ZINC000004784022 563974484 /nfs/dbraw/zinc/97/44/84/563974484.db2.gz SNIYSNGAYFRNTN-UHFFFAOYSA-N 0 0 341.370 4.656 50 0 EJAARN Cc1cc(C(=O)CSc2cc(C)c3ccccc3n2)ccc1F ZINC000000076415 563974518 /nfs/dbraw/zinc/97/45/18/563974518.db2.gz VFPVXWXNKQCEOD-UHFFFAOYSA-N 0 0 325.408 4.966 50 0 EJAARN CC(C)Sc1nnc2c3ccccc3n(CCc3ccccc3)c2n1 ZINC000000079787 563974603 /nfs/dbraw/zinc/97/46/03/563974603.db2.gz LQLRRKSTIQVUSH-UHFFFAOYSA-N 0 0 348.475 4.723 50 0 EJAARN CC(C)c1ccc2nc(Cc3cccc4ccccc43)[nH]c(=O)c2c1 ZINC000060797343 563974814 /nfs/dbraw/zinc/97/48/14/563974814.db2.gz DPXXKSPHGSVEIY-UHFFFAOYSA-N 0 0 328.415 4.791 50 0 EJAARN Cc1ccccc1Nc1nc([C@]2(C)C[C@@H](C(C)C)C(=O)O2)cs1 ZINC000000084467 563975033 /nfs/dbraw/zinc/97/50/33/563975033.db2.gz HJRFTQTZRBOHPC-UGSOOPFHSA-N 0 0 330.453 4.629 50 0 EJAARN COc1ccc2nc(C)c(C(=O)Nc3ccc4[nH]c(C)cc4c3)cc2c1 ZINC000043845135 563975080 /nfs/dbraw/zinc/97/50/80/563975080.db2.gz ZPCUZDRWGMAABF-UHFFFAOYSA-N 0 0 345.402 4.594 50 0 EJAARN Cc1nnc2c(Oc3cccc4ccccc43)nc3ccccc3n12 ZINC000000088992 563976417 /nfs/dbraw/zinc/97/64/17/563976417.db2.gz USBPNMDAVZILCW-UHFFFAOYSA-N 0 0 326.359 4.531 50 0 EJAARN COc1cccc(-c2cc(C)nc(C)c2)c1C(=O)N(C(C)C)C(C)C ZINC000096139730 563979480 /nfs/dbraw/zinc/97/94/80/563979480.db2.gz WTRVNSQUGPYFKR-UHFFFAOYSA-N 0 0 340.467 4.633 50 0 EJAARN O=C(NCc1ccc(F)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000096171193 563979997 /nfs/dbraw/zinc/97/99/97/563979997.db2.gz NIWMOYNOFRSBHY-UHFFFAOYSA-N 0 0 346.711 4.820 50 0 EJAARN O=C(Nc1cccc2c1CCCC2)c1ccc(F)cc1C(F)(F)F ZINC000096171234 563980045 /nfs/dbraw/zinc/98/00/45/563980045.db2.gz FLLJWMQMMHFDSE-UHFFFAOYSA-N 0 0 337.316 4.976 50 0 EJAARN Cc1c2ccccc2oc1-c1nnc2sc(-c3ccccc3)nn21 ZINC000096194085 563980089 /nfs/dbraw/zinc/98/00/89/563980089.db2.gz BJDFUXDTQZLEBF-UHFFFAOYSA-N 0 0 332.388 4.574 50 0 EJAARN CCC(=O)Oc1ccc2c(c1)occ(Oc1cc(C)cc(C)c1)c2=O ZINC000000098289 563981473 /nfs/dbraw/zinc/98/14/73/563981473.db2.gz VDLYFSJQKKMQCN-UHFFFAOYSA-N 0 0 338.359 4.518 50 0 EJAARN Cc1cc([C@@H]2CCCN2Cc2[nH]c3ccc(Cl)cc3c2C)no1 ZINC000097360050 563981503 /nfs/dbraw/zinc/98/15/03/563981503.db2.gz UZJUFRIKYZQDPY-SFHVURJKSA-N 0 0 329.831 4.763 50 0 EJAARN c1c(CNc2ccccn2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000060847385 563981770 /nfs/dbraw/zinc/98/17/70/563981770.db2.gz MWYNQOTVVPEDOC-UHFFFAOYSA-N 0 0 326.403 4.546 50 0 EJAARN CC1(C)CC(=O)C(C2c3ccccc3Sc3ccccc32)C(=O)C1 ZINC000100720848 563982729 /nfs/dbraw/zinc/98/27/29/563982729.db2.gz VWYRVQDOHMMQTD-UHFFFAOYSA-N 0 0 336.456 4.858 50 0 EJAARN O=C(Oc1ccc2c(c1)occ(-c1ccccc1)c2=O)c1ccccc1 ZINC000000101459 563983842 /nfs/dbraw/zinc/98/38/42/563983842.db2.gz ASIFKZIJDIDMPE-UHFFFAOYSA-N 0 0 342.350 4.679 50 0 biogenic EJAARN Cc1ccc(CCCC(=O)NCCCn2ccc3ccccc32)s1 ZINC000257173115 563984231 /nfs/dbraw/zinc/98/42/31/563984231.db2.gz CXBJHQYLBAAMMX-UHFFFAOYSA-N 0 0 340.492 4.540 50 0 EJAARN COc1cc(Cl)cc(/C=C\c2ccc3cccc(O)c3n2)c1OC ZINC000033417802 563984332 /nfs/dbraw/zinc/98/43/32/563984332.db2.gz DJAZMKZCTDJYCP-CLFYSBASSA-N 0 0 341.794 4.781 50 0 EJAARN Cc1cc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)c(C)s1 ZINC000000104094 563986421 /nfs/dbraw/zinc/98/64/21/563986421.db2.gz LBUNJHSGBOXMBB-UHFFFAOYSA-N 0 0 343.473 4.833 50 0 EJAARN CCOC(=O)c1sc2nc(C)nc(Nc3cccc(C)c3)c2c1C ZINC000000109445 563986523 /nfs/dbraw/zinc/98/65/23/563986523.db2.gz HOJMTFDWDQBNTO-UHFFFAOYSA-N 0 0 341.436 4.537 50 0 EJAARN O=C(Nc1cccc(Cl)c1)/C(Br)=C/c1ccccc1 ZINC000000113610 563986602 /nfs/dbraw/zinc/98/66/02/563986602.db2.gz NSFPBGWHXBSBMG-ZROIWOOFSA-N 0 0 336.616 4.715 50 0 EJAARN Oc1cccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000000117064 563986704 /nfs/dbraw/zinc/98/67/04/563986704.db2.gz HMZWMEQAQDVIEZ-UHFFFAOYSA-N 0 0 336.416 4.993 50 0 EJAARN O=C(c1csc(-c2ccccc2)n1)N1CC=C(c2ccccc2)CC1 ZINC000000129981 563986937 /nfs/dbraw/zinc/98/69/37/563986937.db2.gz VKKORTFJQGIYNB-UHFFFAOYSA-N 0 0 346.455 4.740 50 0 EJAARN Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1C ZINC000000130170 563986952 /nfs/dbraw/zinc/98/69/52/563986952.db2.gz BMCGYWKUVYWEDC-UHFFFAOYSA-N 0 0 344.414 4.808 50 0 EJAARN Cc1ccc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000000135870 563987012 /nfs/dbraw/zinc/98/70/12/563987012.db2.gz AXCCFHSMUNKGCU-UHFFFAOYSA-N 0 0 341.354 4.624 50 0 EJAARN Cc1c(OC(=O)C(C)(C)C)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000000149785 563987358 /nfs/dbraw/zinc/98/73/58/563987358.db2.gz NEQYQRADCPIRIW-UHFFFAOYSA-N 0 0 336.387 4.720 50 0 EJAARN O=c1cc(-c2cc3ccccc3o2)oc2ccc(Br)cc12 ZINC000000178216 563987651 /nfs/dbraw/zinc/98/76/51/563987651.db2.gz JUOFJHDSFXVAAY-UHFFFAOYSA-N 0 0 341.160 4.969 50 0 biogenic EJAARN Cc1c(Cl)cccc1NC=C1N=C(c2ccc(Cl)cc2)OC1=O ZINC000000177506 563987724 /nfs/dbraw/zinc/98/77/24/563987724.db2.gz GKBDOFMCFRENHZ-DHDCSXOGSA-N 0 0 347.201 4.559 50 0 EJAARN Cc1cccc(N2C(=O)CS[C@H]2c2ccc(Br)cc2)c1 ZINC000000179998 563987757 /nfs/dbraw/zinc/98/77/57/563987757.db2.gz OWOLCQBNOCRHRF-INIZCTEOSA-N 0 0 348.265 4.536 50 0 EJAARN Cc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 ZINC000000181063 563987880 /nfs/dbraw/zinc/98/78/80/563987880.db2.gz JWTAFJDGJOPKKM-UHFFFAOYSA-N 0 0 327.387 4.791 50 0 EJAARN Cc1ccc(N2CCN(c3ccc(C)cc3)C2c2ccccn2)cc1 ZINC000000184317 563987948 /nfs/dbraw/zinc/98/79/48/563987948.db2.gz RFBCIRIGMVSMMQ-UHFFFAOYSA-N 0 0 329.447 4.724 50 0 EJAARN Cc1ccc(-c2nnc(NC(=O)c3ccc4ccccc4c3)s2)cc1 ZINC000000189259 563988010 /nfs/dbraw/zinc/98/80/10/563988010.db2.gz XVXMVBIZBZOLHT-UHFFFAOYSA-N 0 0 345.427 4.919 50 0 EJAARN Cc1ccc(-c2nc(-c3ccc(Br)cc3)no2)cc1C ZINC000000199808 563988263 /nfs/dbraw/zinc/98/82/63/563988263.db2.gz RBTKIPLOMKUKGT-UHFFFAOYSA-N 0 0 329.197 4.783 50 0 EJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(F)cc1 ZINC000000204661 563988439 /nfs/dbraw/zinc/98/84/39/563988439.db2.gz ZOWOFQYCTGCLJO-UHFFFAOYSA-N 0 0 330.746 4.695 50 0 EJAARN Clc1ccc(Nc2nc(Cl)nc(NC3CCCCC3)n2)cc1 ZINC000000223799 563988919 /nfs/dbraw/zinc/98/89/19/563988919.db2.gz WPCYONXFPNNGEA-UHFFFAOYSA-N 0 0 338.242 4.667 50 0 EJAARN O=C(N[C@@H](c1ccc(F)cc1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000000230502 563989036 /nfs/dbraw/zinc/98/90/36/563989036.db2.gz WEPUEMUTEQQELJ-ZDUSSCGKSA-N 0 0 346.616 4.667 50 0 EJAARN Cc1ccc(C)c(NC(=S)N2CCCC[C@@H]2c2cccnc2)c1 ZINC000000240223 563989131 /nfs/dbraw/zinc/98/91/31/563989131.db2.gz CUEGAROVUYRZFT-GOSISDBHSA-N 0 0 325.481 4.622 50 0 EJAARN O=C(Oc1ccc2cc(Br)ccc2c1)c1cccs1 ZINC000000241612 563989205 /nfs/dbraw/zinc/98/92/05/563989205.db2.gz HCNOSWSFSYBHSR-UHFFFAOYSA-N 0 0 333.206 4.883 50 0 EJAARN CCc1ccc(C(=O)N(CCc2ccccc2)Cc2ccco2)cc1 ZINC000000256623 563989576 /nfs/dbraw/zinc/98/95/76/563989576.db2.gz QNFQNJFIIUPEJG-UHFFFAOYSA-N 0 0 333.431 4.727 50 0 EJAARN CCC[C@H]1C[C@](C)(c2csc(Nc3ccccc3C)n2)OC1=O ZINC000000289422 563990231 /nfs/dbraw/zinc/99/02/31/563990231.db2.gz PGNDOLKJNWJKDP-SCLBCKFNSA-N 0 0 330.453 4.774 50 0 EJAARN CC[C@H](C)c1ccc([C@H](C)NC(=O)c2cccc(OC)c2OC)cc1 ZINC000000372364 563991827 /nfs/dbraw/zinc/99/18/27/563991827.db2.gz YSUCHCHXVZIELC-GJZGRUSLSA-N 0 0 341.451 4.708 50 0 EJAARN Cc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccccc2)cc1C ZINC000004854236 563992099 /nfs/dbraw/zinc/99/20/99/563992099.db2.gz FQEMYMYEGHQOSC-NRFANRHFSA-N 0 0 345.446 4.742 50 0 EJAARN Cc1ccc(N[C@H]2c3ccccc3C(=O)N2c2cccnc2)cc1Cl ZINC000004917523 563992449 /nfs/dbraw/zinc/99/24/49/563992449.db2.gz ORKBZZXQQHJCCL-LJQANCHMSA-N 0 0 349.821 4.815 50 0 EJAARN Clc1cccc(-c2nnc3sc(/C=C\c4ccccc4)nn32)c1 ZINC000033554234 563992643 /nfs/dbraw/zinc/99/26/43/563992643.db2.gz KVJHXCYCADKZIP-KTKRTIGZSA-N 0 0 338.823 4.677 50 0 EJAARN Cc1ccc2oc(=O)c3cc(C(=O)Nc4ccccc4C)sc3c2c1 ZINC000004939579 563992679 /nfs/dbraw/zinc/99/26/79/563992679.db2.gz DKLCZFIJAMNQML-UHFFFAOYSA-N 0 0 349.411 4.877 50 0 EJAARN O=C(Nc1cnn(-c2ccccc2Cl)c1)c1sccc1C1CC1 ZINC000408512900 563992695 /nfs/dbraw/zinc/99/26/95/563992695.db2.gz KJQLBPZXOGWOFY-UHFFFAOYSA-N 0 0 343.839 4.717 50 0 EJAARN Cc1ccccc1C(=O)N1N=C(c2ccccc2C)C[C@@H]1c1ccco1 ZINC000408525621 563993311 /nfs/dbraw/zinc/99/33/11/563993311.db2.gz JYGIUDNFAGZZPQ-HXUWFJFHSA-N 0 0 344.414 4.888 50 0 EJAARN Cc1cc(C(=O)CSc2nc(C)c(C)n2C2CCCC2)c(C)n1C ZINC000005090161 563994227 /nfs/dbraw/zinc/99/42/27/563994227.db2.gz YPPBTHYMQWHBEP-UHFFFAOYSA-N 0 0 345.512 4.545 50 0 EJAARN COC(=O)c1cc(Nc2ccc(F)c(F)c2)c2cc(Cl)ccc2n1 ZINC000038486602 563994818 /nfs/dbraw/zinc/99/48/18/563994818.db2.gz CVVKZCMAEJVNAI-UHFFFAOYSA-N 0 0 348.736 4.697 50 0 EJAARN CCc1nc([C@@H](C)Nc2ccc3oc(=O)[nH]c3c2)oc1-c1ccccc1 ZINC000124841328 563995294 /nfs/dbraw/zinc/99/52/94/563995294.db2.gz KFWFDEKCGRIVNR-GFCCVEGCSA-N 0 0 349.390 4.512 50 0 EJAARN Cc1c2ccccc2oc1C(=O)Nc1nc(-c2ccccc2)ns1 ZINC000011914917 563995472 /nfs/dbraw/zinc/99/54/72/563995472.db2.gz AWXDWKDWQUYFPB-UHFFFAOYSA-N 0 0 335.388 4.512 50 0 EJAARN CCOc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)no2)cc1 ZINC000011916975 563995517 /nfs/dbraw/zinc/99/55/17/563995517.db2.gz XWMQOHQHTABZTC-UHFFFAOYSA-N 0 0 342.782 4.646 50 0 EJAARN Clc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1 ZINC000000407821 563997686 /nfs/dbraw/zinc/99/76/86/563997686.db2.gz WNVAJAMIIYZLMR-HZPDHXFCSA-N 0 0 345.233 4.731 50 0 EJAARN O=C(NCCC1=CCCCC1)C1c2ccccc2Oc2ccccc21 ZINC000000204720 563997940 /nfs/dbraw/zinc/99/79/40/563997940.db2.gz VJIVMLQQCKSJBM-UHFFFAOYSA-N 0 0 333.431 4.931 50 0 EJAARN CCc1nc2sc3c(ncnc3N(CC)CC)c2c2c1CCCC2 ZINC000000203344 563997945 /nfs/dbraw/zinc/99/79/45/563997945.db2.gz AKBQTMIXYLPCEP-UHFFFAOYSA-N 0 0 340.496 4.527 50 0 EJAARN CC(C)(C)c1ccc([C@H]2SCC(=O)N2c2ccc(F)cc2)cc1 ZINC000000423767 563998356 /nfs/dbraw/zinc/99/83/56/563998356.db2.gz HKWAKMYFZXHWOO-GOSISDBHSA-N 0 0 329.440 4.902 50 0 EJAARN O=C1CS[C@@H](c2ccccc2F)N1c1ccc(Cl)c(Cl)c1 ZINC000000423784 563998378 /nfs/dbraw/zinc/99/83/78/563998378.db2.gz IIJWWWQRAWTGPO-HNNXBMFYSA-N 0 0 342.222 4.911 50 0 EJAARN CC(C)(C)c1ccc([C@H]2SCC(=O)N2c2cccc(F)c2)cc1 ZINC000000423775 563998388 /nfs/dbraw/zinc/99/83/88/563998388.db2.gz JAEZWVAVYYVXHJ-GOSISDBHSA-N 0 0 329.440 4.902 50 0 EJAARN Cc1c(Cl)cccc1N1C(=O)CS[C@H]1c1ccc(F)c(F)c1 ZINC000000424011 563998398 /nfs/dbraw/zinc/99/83/98/563998398.db2.gz MXSNACREMDUBFV-INIZCTEOSA-N 0 0 339.794 4.705 50 0 EJAARN CCOc1ccc2nc3sc(C(=O)c4ccccc4)c(N)c3cc2c1 ZINC000000422082 563998495 /nfs/dbraw/zinc/99/84/95/563998495.db2.gz BOTZLJDIBDFGHO-UHFFFAOYSA-N 0 0 348.427 4.661 50 0 EJAARN CCOc1ccc(-c2nnc(-c3ccccc3Br)o2)cc1 ZINC000000422649 563998553 /nfs/dbraw/zinc/99/85/53/563998553.db2.gz VLVGRGDXOWUEFK-UHFFFAOYSA-N 0 0 345.196 4.565 50 0 EJAARN Cc1ccc(-n2ncc3c2ncnc3NCCC2=CCCCC2)c(C)c1 ZINC000000426523 563998591 /nfs/dbraw/zinc/99/85/91/563998591.db2.gz UULMISMXYQXPER-UHFFFAOYSA-N 0 0 347.466 4.735 50 0 EJAARN CCc1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc(Cl)cc23)cc1 ZINC000000427437 563998679 /nfs/dbraw/zinc/99/86/79/563998679.db2.gz NQJHUVRINBCVSX-LPHOPBHVSA-N 0 0 342.826 4.672 50 0 EJAARN C[C@H]1CCCCN1C(=O)c1cc(-c2ccc(Cl)c(Cl)c2)on1 ZINC000000425706 563998970 /nfs/dbraw/zinc/99/89/70/563998970.db2.gz USKUEZOWYKVFOP-JTQLQIEISA-N 0 0 339.222 4.663 50 0 EJAARN CCc1cccc(NC(=O)c2cc3cc4ccc(OC)cc4nc3o2)c1 ZINC000000429153 563999125 /nfs/dbraw/zinc/99/91/25/563999125.db2.gz AIUZDXXIDKOUIK-UHFFFAOYSA-N 0 0 346.386 4.804 50 0 EJAARN CC[C@@H](C)NC(=O)c1cc(Nc2ccccc2C)nc2ccccc21 ZINC000000429186 563999153 /nfs/dbraw/zinc/99/91/53/563999153.db2.gz HWLQJFHARKRIJU-OAHLLOKOSA-N 0 0 333.435 4.815 50 0 EJAARN CC(C)CC[NH2+][C@@H]1c2ccccc2C(=O)N1[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000137580220 563999207 /nfs/dbraw/zinc/99/92/07/563999207.db2.gz BZJSNQIIXJXKDL-GJJHYRHESA-N 0 0 328.500 4.601 50 0 EJAARN Cc1ccc(NC=C2N=C(c3cccc4ccccc43)OC2=O)c(C)c1 ZINC000000431247 563999428 /nfs/dbraw/zinc/99/94/28/563999428.db2.gz CLNRRHYYKAHWAW-DEDYPNTBSA-N 0 0 342.398 4.714 50 0 EJAARN O=C(N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2)c1cccnc1 ZINC000024277710 563999514 /nfs/dbraw/zinc/99/95/14/563999514.db2.gz MXPPSMFGZLAPOM-HXUWFJFHSA-N 0 0 348.471 4.541 50 0 EJAARN CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@H]3CC[C@H]2C1 ZINC000005186587 564000275 /nfs/dbraw/zinc/00/02/75/564000275.db2.gz FDCINQSOYQUNKB-ZDPVWBBSSA-N 0 0 332.484 4.530 50 0 EJAARN O=C(CSc1ccc(F)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000005192505 564000297 /nfs/dbraw/zinc/00/02/97/564000297.db2.gz HQBMIRCEQKZHDO-UHFFFAOYSA-N 0 0 330.211 4.863 50 0 EJAARN O=C(CCc1c[nH]c2ccccc12)Nc1ccc(-n2cccc2)cc1 ZINC000061718478 564000419 /nfs/dbraw/zinc/00/04/19/564000419.db2.gz CXOIIVJFNVUKMF-UHFFFAOYSA-N 0 0 329.403 4.530 50 0 EJAARN CNc1nc2c(s1)[C@@H](c1ccccc1OC1CCCC1)CC(=O)N2 ZINC000061719153 564000424 /nfs/dbraw/zinc/00/04/24/564000424.db2.gz HOZHQEXLLYRANV-CYBMUJFWSA-N 0 0 343.452 4.630 50 0 EJAARN COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)/C=C\c1ccccc1 ZINC000033926837 564000856 /nfs/dbraw/zinc/00/08/56/564000856.db2.gz LHVDEKIDPVNWBK-RAXLEYEMSA-N 0 0 333.431 4.937 50 0 EJAARN C/C(=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1cnccn1 ZINC000180382289 564001225 /nfs/dbraw/zinc/00/12/25/564001225.db2.gz BBQIFENEFAFEEL-SDNWHVSQSA-N 0 0 349.821 4.943 50 0 EJAARN c1ccc(C2=NO[C@H](Cn3c4ccccc4c4ccccc43)C2)cc1 ZINC000005249791 564001470 /nfs/dbraw/zinc/00/14/70/564001470.db2.gz NPVVJFAKHILPMK-KRWDZBQOSA-N 0 0 326.399 4.988 50 0 EJAARN Cc1c2cc(Cl)ccc2oc1C(=O)Nc1nc2c(s1)CCCC2 ZINC000005243696 564001518 /nfs/dbraw/zinc/00/15/18/564001518.db2.gz PPAQCQWNQBYESA-UHFFFAOYSA-N 0 0 346.839 4.982 50 0 EJAARN COc1ccc(Cl)c2sc(NC(=O)c3ccc(C)cc3)nc21 ZINC000005256558 564001642 /nfs/dbraw/zinc/00/16/42/564001642.db2.gz UVMKAGOYROMPLZ-UHFFFAOYSA-N 0 0 332.812 4.519 50 0 EJAARN Cc1c(Cl)cccc1NC(=S)NC12CC3CC(CC(C3)C1)C2 ZINC000005262038 564001652 /nfs/dbraw/zinc/00/16/52/564001652.db2.gz PMJDFXRIQJNTNC-UHFFFAOYSA-N 0 0 334.916 4.904 50 0 EJAARN O=C1Nc2cc(Cl)ccc2/C1=C/c1cccc(Br)c1 ZINC000000573344 564001815 /nfs/dbraw/zinc/00/18/15/564001815.db2.gz VJNYURUXGLKCGV-QPEQYQDCSA-N 0 0 334.600 4.595 50 0 EJAARN Cc1ccc(Nc2nc(CSc3nncn3C(C)C)cs2)cc1 ZINC000005279620 564002344 /nfs/dbraw/zinc/00/23/44/564002344.db2.gz ABWHKTKMOOARCZ-UHFFFAOYSA-N 0 0 345.497 4.660 50 0 EJAARN COCc1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000005278669 564002349 /nfs/dbraw/zinc/00/23/49/564002349.db2.gz LTOSOYFNATTWGO-UHFFFAOYSA-N 0 0 333.387 4.878 50 0 EJAARN CCC(=O)c1ccc(OC)c2cccc(OC(=O)c3ccccc3)c12 ZINC000005307489 564002480 /nfs/dbraw/zinc/00/24/80/564002480.db2.gz DPGNEZSTXIITQY-UHFFFAOYSA-N 0 0 334.371 4.660 50 0 EJAARN Cc1cccc(-c2nc3c(c(SC(C)C)n2)COC(C)(C)C3)c1 ZINC000005306627 564002485 /nfs/dbraw/zinc/00/24/85/564002485.db2.gz FPKSMHHZYCOEOT-UHFFFAOYSA-N 0 0 328.481 4.804 50 0 EJAARN O=C(Nc1c[nH]c2ccccc12)Nc1ccc(Br)cc1 ZINC000005299941 564002533 /nfs/dbraw/zinc/00/25/33/564002533.db2.gz SUHWJVYRTNIMGJ-UHFFFAOYSA-N 0 0 330.185 4.574 50 0 EJAARN COc1ccc(CSc2nc(C)c(Cc3ccccc3)[nH]2)cc1F ZINC000005312467 564002544 /nfs/dbraw/zinc/00/25/44/564002544.db2.gz GNZIETSBQNZYKO-UHFFFAOYSA-N 0 0 342.439 4.749 50 0 EJAARN Cc1ccccc1NC(=O)c1cc(-c2ccc(OC(C)C)cc2)on1 ZINC000061997140 564002611 /nfs/dbraw/zinc/00/26/11/564002611.db2.gz SUUCIRWYALBOHD-UHFFFAOYSA-N 0 0 336.391 4.690 50 0 EJAARN CCOC(=O)CCCc1c2cc(Cl)ccc2[nH]c1-c1ccccn1 ZINC000005344932 564002904 /nfs/dbraw/zinc/00/29/04/564002904.db2.gz MPNJFPOINTUJHV-UHFFFAOYSA-N 0 0 342.826 4.769 50 0 EJAARN O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1ccccc1F ZINC000005392317 564003521 /nfs/dbraw/zinc/00/35/21/564003521.db2.gz RODAYUIMLKCCSA-UHFFFAOYSA-N 0 0 346.814 4.779 50 0 EJAARN C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)c1ccc(Cl)cc1 ZINC000005400154 564003580 /nfs/dbraw/zinc/00/35/80/564003580.db2.gz YRAAMEPDWOIOCK-SNVBAGLBSA-N 0 0 347.871 4.507 50 0 EJAARN CCCCCCc1c(C)c2ccc(O[C@H](C)C(C)=O)c(C)c2oc1=O ZINC000002119171 564003753 /nfs/dbraw/zinc/00/37/53/564003753.db2.gz ZFDUTRJBZBAOEO-MRXNPFEDSA-N 0 0 344.451 4.889 50 0 biogenic EJAARN Cc1c2ccccc2oc1C(=O)NCc1ccc(Cl)cc1Cl ZINC000005443412 564004068 /nfs/dbraw/zinc/00/40/68/564004068.db2.gz ZUNYKRYQKCNQOY-UHFFFAOYSA-N 0 0 334.202 4.978 50 0 EJAARN O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccccc1-c1ccccc1 ZINC000003247572 564004192 /nfs/dbraw/zinc/00/41/92/564004192.db2.gz WRUOWKQKGYHUPK-ACCUITESSA-N 0 0 343.382 4.734 50 0 EJAARN FC(F)(F)c1cccc(CSc2nc3cc(Cl)cnc3[nH]2)c1 ZINC000005454199 564004248 /nfs/dbraw/zinc/00/42/48/564004248.db2.gz BSWCERRYAPHEDQ-UHFFFAOYSA-N 0 0 343.761 4.922 50 0 EJAARN C[C@@H](NC(=O)COc1ccccc1-c1ccccc1)c1ccc(F)cc1 ZINC000005458267 564004342 /nfs/dbraw/zinc/00/43/42/564004342.db2.gz GZLFQQMMBADTAC-MRXNPFEDSA-N 0 0 349.405 4.749 50 0 EJAARN Cc1ccc(NC(=O)COc2cccc3ccc(C)nc32)c(Cl)c1 ZINC000005468626 564004436 /nfs/dbraw/zinc/00/44/36/564004436.db2.gz YKUJUHKGYFDYIK-UHFFFAOYSA-N 0 0 340.810 4.523 50 0 EJAARN O=C(/C=C/c1ccc(OC(F)F)cc1)Nc1ccc(Cl)cc1F ZINC000003360236 564004476 /nfs/dbraw/zinc/00/44/76/564004476.db2.gz CKSXRHWOKRJQMG-FPYGCLRLSA-N 0 0 341.716 4.732 50 0 EJAARN C[C@@H](NC(=O)C[C@@H](c1ccco1)c1ccc(F)cc1)c1ccccc1 ZINC000005478419 564004559 /nfs/dbraw/zinc/00/45/59/564004559.db2.gz MMNJAEVCVXIQDG-DNVCBOLYSA-N 0 0 337.394 4.818 50 0 EJAARN CCCc1cc(=O)oc2c1ccc1c2CN(c2ccc(CC)cc2)CO1 ZINC000005485051 564004654 /nfs/dbraw/zinc/00/46/54/564004654.db2.gz ANIUDZHFFGSZPY-UHFFFAOYSA-N 0 0 349.430 4.664 50 0 EJAARN O=C(Nc1ccccc1C(F)(F)F)c1csc2c1CCCC2 ZINC000005487793 564004694 /nfs/dbraw/zinc/00/46/94/564004694.db2.gz XJCLWCZFBSIMAP-UHFFFAOYSA-N 0 0 325.355 4.898 50 0 EJAARN O=C(CCc1c[nH]c2ccccc12)OCc1c(F)cccc1Cl ZINC000004286773 564004967 /nfs/dbraw/zinc/00/49/67/564004967.db2.gz UJIHRGFODNDHTQ-UHFFFAOYSA-N 0 0 331.774 4.636 50 0 EJAARN C[C@@H](NC(=O)CSC1CCCC1)c1ccc(Cl)cc1Cl ZINC000004877706 564005491 /nfs/dbraw/zinc/00/54/91/564005491.db2.gz JYDDMPFEXGEVSR-SNVBAGLBSA-N 0 0 332.296 4.846 50 0 EJAARN Cc1cc(Cl)ccc1NC(=O)Cc1csc(-c2ccccc2)n1 ZINC000005577843 564005823 /nfs/dbraw/zinc/00/58/23/564005823.db2.gz GKTKPVGCKVZCGI-UHFFFAOYSA-N 0 0 342.851 4.953 50 0 EJAARN CCn1c2ccccc2nc1SCC(=O)c1cc(C)sc1C ZINC000005165293 564005848 /nfs/dbraw/zinc/00/58/48/564005848.db2.gz IPYFNEZVNMMQKS-UHFFFAOYSA-N 0 0 330.478 4.710 50 0 EJAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000005557343 564006095 /nfs/dbraw/zinc/00/60/95/564006095.db2.gz CYTUEESGQUATHL-UHFFFAOYSA-N 0 0 347.886 4.582 50 0 EJAARN Cc1cc(C)c(-c2csc(NC(=O)/C=C/c3ccco3)n2)c(C)c1 ZINC000005578498 564006125 /nfs/dbraw/zinc/00/61/25/564006125.db2.gz BRBAMXKMAJEISX-VOTSOKGWSA-N 0 0 338.432 4.980 50 0 EJAARN O=C(Nc1cccc(C(F)(F)F)c1)Nc1nccc2ccccc21 ZINC000005590307 564006134 /nfs/dbraw/zinc/00/61/34/564006134.db2.gz JOJQXUWYFYITRA-UHFFFAOYSA-N 0 0 331.297 4.898 50 0 EJAARN O=C(CSc1nc2ccccc2[nH]1)c1ccc(Cl)cc1Cl ZINC000005615256 564006448 /nfs/dbraw/zinc/00/64/48/564006448.db2.gz DGDJFSSXMCWNLB-UHFFFAOYSA-N 0 0 337.231 4.845 50 0 EJAARN Cc1ccc2[nH]c([C@H](NC(=O)c3cccc(Cl)c3)C(C)C)nc2c1 ZINC000005626082 564006575 /nfs/dbraw/zinc/00/65/75/564006575.db2.gz KLVFSDOBGBXUFI-QGZVFWFLSA-N 0 0 341.842 4.652 50 0 EJAARN C[C@H](Sc1ccccn1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000005622360 564006612 /nfs/dbraw/zinc/00/66/12/564006612.db2.gz YOUSSJCHCYPPJR-HNNXBMFYSA-N 0 0 334.444 4.868 50 0 EJAARN O=C(CSc1ccc2ccccc2n1)N[C@H]1CCCc2ccccc21 ZINC000005626761 564006678 /nfs/dbraw/zinc/00/66/78/564006678.db2.gz GKNPGXZNNVGOAH-IBGZPJMESA-N 0 0 348.471 4.521 50 0 EJAARN O=C(CSc1ccc2ccccc2n1)N[C@@H]1CCCc2ccccc21 ZINC000005626760 564006688 /nfs/dbraw/zinc/00/66/88/564006688.db2.gz GKNPGXZNNVGOAH-LJQANCHMSA-N 0 0 348.471 4.521 50 0 EJAARN Cc1cc(C(=O)CSc2ccc3ccccc3n2)c(C)n1C1CC1 ZINC000005627510 564006724 /nfs/dbraw/zinc/00/67/24/564006724.db2.gz NKPDIFSBGLDWQP-UHFFFAOYSA-N 0 0 336.460 4.963 50 0 EJAARN CCN(c1ncnc2c1cnn2-c1ccc(C)c(C)c1)C1CCCCC1 ZINC000017288192 564011465 /nfs/dbraw/zinc/01/14/65/564011465.db2.gz ZUSKBLHQUSKQOO-UHFFFAOYSA-N 0 0 349.482 4.591 50 0 EJAARN O=C(NCCc1c[nH]c2ccccc12)c1cc(Cl)sc1Cl ZINC000017295903 564011514 /nfs/dbraw/zinc/01/15/14/564011514.db2.gz DDIBNKPAUDXUGW-UHFFFAOYSA-N 0 0 339.247 4.509 50 0 EJAARN C[C@H](NC(=O)c1ccc(OCc2ccccc2)cc1)c1cccs1 ZINC000017701907 564012050 /nfs/dbraw/zinc/01/20/50/564012050.db2.gz AGSJWCNUABFKST-HNNXBMFYSA-N 0 0 337.444 4.818 50 0 EJAARN O=C(Nc1ccccc1Br)c1csc2c1CCCC2 ZINC000000282368 564012321 /nfs/dbraw/zinc/01/23/21/564012321.db2.gz KREDFGOIEZLJOM-UHFFFAOYSA-N 0 0 336.254 4.642 50 0 EJAARN CC[C@H](C(=O)Nc1ccc(C)cc1Br)c1ccccc1 ZINC000000438463 564012640 /nfs/dbraw/zinc/01/26/40/564012640.db2.gz RLYVXQDTINZEFZ-AWEZNQCLSA-N 0 0 332.241 4.890 50 0 EJAARN O=C(Nc1ccc(Br)cc1F)c1coc2ccccc12 ZINC000000459500 564012658 /nfs/dbraw/zinc/01/26/58/564012658.db2.gz MLPRUQNXDQNLSO-UHFFFAOYSA-N 0 0 334.144 4.587 50 0 EJAARN CC[C@H]1CCc2sc(C(=O)Nc3cccc(C(C)=O)c3)cc2C1 ZINC000006376934 564013128 /nfs/dbraw/zinc/01/31/28/564013128.db2.gz YQFJFHISEBISKZ-ZDUSSCGKSA-N 0 0 327.449 4.718 50 0 EJAARN c1ccc(OCc2nc(-c3ccccc3)nn2-c2ccccc2)cc1 ZINC000000478275 564013186 /nfs/dbraw/zinc/01/31/86/564013186.db2.gz POFGTULGTKEEHT-UHFFFAOYSA-N 0 0 327.387 4.513 50 0 EJAARN C[C@@H](NC(=O)c1ccc(Br)o1)c1ccc2ccccc2c1 ZINC000017962655 564013424 /nfs/dbraw/zinc/01/34/24/564013424.db2.gz ZDTBUXMKKVNAPS-LLVKDONJSA-N 0 0 344.208 4.686 50 0 EJAARN CCOc1cccc2c1Oc1nc(-c3ccccc3)[nH]c(=S)c1C2 ZINC000585148590 564014762 /nfs/dbraw/zinc/01/47/62/564014762.db2.gz KTYPMUFGFLPVRJ-UHFFFAOYSA-N 0 0 336.416 4.528 50 0 EJAARN CSC1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2cc(F)ccc2s1 ZINC000206760369 564014825 /nfs/dbraw/zinc/01/48/25/564014825.db2.gz HNRFHJAJGOITPK-PBWFPOADSA-N 0 0 335.469 4.539 50 0 EJAARN O=C(NC1CCCC1)c1ccc(COc2cccc3ccccc32)o1 ZINC000000484250 564016895 /nfs/dbraw/zinc/01/68/95/564016895.db2.gz HMWMPBOYLDLQHO-UHFFFAOYSA-N 0 0 335.403 4.684 50 0 EJAARN Cc1oc2cc(OC(=O)c3ccco3)ccc2c(=O)c1-c1ccccc1 ZINC000000490859 564017590 /nfs/dbraw/zinc/01/75/90/564017590.db2.gz CQSGCTDOZSHCTN-UHFFFAOYSA-N 0 0 346.338 4.581 50 0 biogenic EJAARN CC(=O)c1ccc(OCCCC(=O)Nc2ccccc2C(C)C)cc1 ZINC000005673004 564017872 /nfs/dbraw/zinc/01/78/72/564017872.db2.gz LXHBLAPDRKOZMI-UHFFFAOYSA-N 0 0 339.435 4.810 50 0 EJAARN CCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCC3 ZINC000000495789 564017981 /nfs/dbraw/zinc/01/79/81/564017981.db2.gz GWPDUTJTKTXVGS-UHFFFAOYSA-N 0 0 334.510 4.564 50 0 EJAARN O=C(/C=C\c1ccccc1)Nc1cc(Br)ccc1Cl ZINC000212995081 564018059 /nfs/dbraw/zinc/01/80/59/564018059.db2.gz MSXBCAKUVBHSDF-TWGQIWQCSA-N 0 0 336.616 4.754 50 0 EJAARN Cc1cc(O[C@H](C)C(=O)Nc2nc3ccccc3s2)ccc1Cl ZINC000005680017 564018297 /nfs/dbraw/zinc/01/82/97/564018297.db2.gz ZXEZRLNTVCVSDN-LLVKDONJSA-N 0 0 346.839 4.664 50 0 EJAARN Cc1cc(C)c2c(c1)Cc1c(-c3ccccc3)cccc1S2(=O)=O ZINC000018194794 564018675 /nfs/dbraw/zinc/01/86/75/564018675.db2.gz QUVWURVSPZDESP-UHFFFAOYSA-N 0 0 334.440 4.707 50 0 EJAARN O=C(Nc1ccc2c(c1)OCCO2)c1cccc2c(Cl)cccc12 ZINC000012651491 564018829 /nfs/dbraw/zinc/01/88/29/564018829.db2.gz RSCHIOALEJELFW-UHFFFAOYSA-N 0 0 339.778 4.517 50 0 EJAARN COc1ccc(-c2nnc(OCc3ccccc3)c3ccccc32)cc1 ZINC000000503361 564019190 /nfs/dbraw/zinc/01/91/90/564019190.db2.gz YQSPRFLNKVCSBN-UHFFFAOYSA-N 0 0 342.398 4.884 50 0 EJAARN CCOC(=O)c1c(-c2cccs2)csc1NC(=O)C(C)(C)C ZINC000000503811 564019207 /nfs/dbraw/zinc/01/92/07/564019207.db2.gz FVUPQJWXWDAYEV-UHFFFAOYSA-N 0 0 337.466 4.638 50 0 EJAARN CCOc1cccc(/C=C2\N=C(c3cccc4ccccc43)OC2=O)c1 ZINC000000508128 564019832 /nfs/dbraw/zinc/01/98/32/564019832.db2.gz ZSZOVXIVNMMLIJ-ZHZULCJRSA-N 0 0 343.382 4.583 50 0 EJAARN CCc1ccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)cc1 ZINC000000508173 564019847 /nfs/dbraw/zinc/01/98/47/564019847.db2.gz ULFBTYULFOOMGS-UHFFFAOYSA-N 0 0 340.386 4.791 50 0 EJAARN Cc1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)c(C)c1 ZINC000000509230 564019905 /nfs/dbraw/zinc/01/99/05/564019905.db2.gz SZARVKMBVHDNKE-UHFFFAOYSA-N 0 0 326.399 4.670 50 0 EJAARN Cc1ccc(N(C(=O)Nc2ccc(Cl)cc2)C2=NCCC2)cc1 ZINC000000510469 564020082 /nfs/dbraw/zinc/02/00/82/564020082.db2.gz YVYUHOPUMRUHMI-UHFFFAOYSA-N 0 0 327.815 4.879 50 0 EJAARN COc1cccc(NC(=O)C(C)(c2ccccc2)c2ccccc2)c1 ZINC000000513724 564020398 /nfs/dbraw/zinc/02/03/98/564020398.db2.gz CFNSUEQBFXOONW-UHFFFAOYSA-N 0 0 331.415 4.640 50 0 EJAARN Cc1ccc(C(=O)Nc2ncnc3sc4c(c32)CCCCC4)cc1 ZINC000000522428 564021107 /nfs/dbraw/zinc/02/11/07/564021107.db2.gz HFYCAENNEUKTHZ-UHFFFAOYSA-N 0 0 337.448 4.521 50 0 EJAARN CCSc1nnc(-c2cccnc2)n1-c1cccc2ccccc21 ZINC000000528610 564021379 /nfs/dbraw/zinc/02/13/79/564021379.db2.gz IZXGCKUIAWCDOV-UHFFFAOYSA-N 0 0 332.432 4.595 50 0 EJAARN CCC(=O)N1c2ccc(Cl)cc2[C@@H]2OCC[C@@H]2[C@H]1c1ccco1 ZINC000000529705 564021393 /nfs/dbraw/zinc/02/13/93/564021393.db2.gz DKDKVIPKAZQOEX-OCBCSQNSSA-N 0 0 331.799 4.509 50 0 EJAARN Cc1ccccc1-c1nnc2c3ccccc3c(-c3ccccc3)nn12 ZINC000000532819 564021610 /nfs/dbraw/zinc/02/16/10/564021610.db2.gz JOLWZLSDOZTCND-UHFFFAOYSA-N 0 0 336.398 4.920 50 0 EJAARN Cn1c2ccccc2nc1-c1nc2ccccc2nc1-c1ccccc1 ZINC000000533715 564021998 /nfs/dbraw/zinc/02/19/98/564021998.db2.gz NJTURBBDEBEBOF-UHFFFAOYSA-N 0 0 336.398 4.851 50 0 EJAARN Cc1ccc([C@H](CCNC(=O)c2cccs2)c2ccco2)cc1 ZINC000000535630 564022115 /nfs/dbraw/zinc/02/21/15/564022115.db2.gz IHOCNSJAORCSPQ-INIZCTEOSA-N 0 0 325.433 4.602 50 0 EJAARN COc1cccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)c1 ZINC000000536747 564022182 /nfs/dbraw/zinc/02/21/82/564022182.db2.gz VWIMMIZDAJIOIF-FQEVSTJZSA-N 0 0 327.387 4.684 50 0 EJAARN CC[C@H](C)n1c(-c2ccc(OC)cc2)nc2nc3ccccc3nc21 ZINC000000539651 564022319 /nfs/dbraw/zinc/02/23/19/564022319.db2.gz LUNQDXOKYWVXHS-ZDUSSCGKSA-N 0 0 332.407 4.626 50 0 EJAARN CC(C)CCn1c(-c2ccc(F)cc2)nc2nc3ccccc3nc21 ZINC000000546029 564022702 /nfs/dbraw/zinc/02/27/02/564022702.db2.gz QGBFEZAIPSMCRK-UHFFFAOYSA-N 0 0 334.398 4.832 50 0 EJAARN O=C1N2CCCN2[C@@H](c2ccccc2Cl)N1c1ccc(Cl)cc1 ZINC000000552908 564023031 /nfs/dbraw/zinc/02/30/31/564023031.db2.gz ZMZLTFAZDDSYJW-MRXNPFEDSA-N 0 0 348.233 4.555 50 0 EJAARN Fc1cccc(COc2ccc(C(=S)N3CCCCC3)cc2)c1 ZINC000000555881 564023113 /nfs/dbraw/zinc/02/31/13/564023113.db2.gz RPYDBGVMXWHGQN-UHFFFAOYSA-N 0 0 329.440 4.566 50 0 EJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1cccc2ncccc21 ZINC000000556636 564023138 /nfs/dbraw/zinc/02/31/38/564023138.db2.gz GNIPBVGLHRFCPD-UHFFFAOYSA-N 0 0 347.201 4.559 50 0 EJAARN Cc1ccc(C)c(NC(=O)Cn2cc(C(=O)C(C)C)c3ccccc32)c1 ZINC000000560766 564023245 /nfs/dbraw/zinc/02/32/45/564023245.db2.gz AIGXAHJWTQSRLA-UHFFFAOYSA-N 0 0 348.446 4.736 50 0 EJAARN O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(Cl)s1 ZINC000000567803 564023412 /nfs/dbraw/zinc/02/34/12/564023412.db2.gz NPWPORXWBUMSIY-UHFFFAOYSA-N 0 0 338.816 4.916 50 0 EJAARN C[C@@H]1CCc2nc(NC(=O)c3ccc(Cl)cc3Cl)sc2C1 ZINC000000567893 564023445 /nfs/dbraw/zinc/02/34/45/564023445.db2.gz PWIFMKIJSUPSAI-MRVPVSSYSA-N 0 0 341.263 4.827 50 0 EJAARN COc1ccc2cc(CN3c4ccccc4C[C@H]3C)c(Cl)nc2c1 ZINC000014672786 564023670 /nfs/dbraw/zinc/02/36/70/564023670.db2.gz ANPDPOCHALHZAZ-CYBMUJFWSA-N 0 0 338.838 4.848 50 0 EJAARN COc1ccccc1COc1ccc(-c2noc(-c3ccco3)n2)cc1 ZINC000096280989 564023757 /nfs/dbraw/zinc/02/37/57/564023757.db2.gz RMFXSENJSCSDFE-UHFFFAOYSA-N 0 0 348.358 4.584 50 0 EJAARN O=C1Nc2ccccc2N=C(c2ccccc2)/C1=C\c1cccs1 ZINC000105025608 564024576 /nfs/dbraw/zinc/02/45/76/564024576.db2.gz LZBNTAQJEXKHQB-DTQAZKPQSA-N 0 0 330.412 4.905 50 0 EJAARN CN(c1ccccn1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000005737984 564024758 /nfs/dbraw/zinc/02/47/58/564024758.db2.gz RDPNPJZCSCCREY-UHFFFAOYSA-N 0 0 340.319 4.784 50 0 EJAARN CCCCOc1ccc(OCCSc2nc3ccccc3[nH]2)cc1 ZINC000004720885 564025160 /nfs/dbraw/zinc/02/51/60/564025160.db2.gz RQYFMSSYJSDERK-UHFFFAOYSA-N 0 0 342.464 4.913 50 0 EJAARN CC(=O)c1sc(N2N=C3CCCC[C@H]3[C@@H]2c2ccccc2)nc1C ZINC000051330444 564025225 /nfs/dbraw/zinc/02/52/25/564025225.db2.gz DXUVNKYHCBBCPO-WBVHZDCISA-N 0 0 339.464 4.762 50 0 EJAARN Cc1nc(-c2ccc(N[C@@H](C)c3nc(C(C)(C)C)no3)cc2)cs1 ZINC000046814985 564025434 /nfs/dbraw/zinc/02/54/34/564025434.db2.gz YWFXSVQXZRRNDE-NSHDSACASA-N 0 0 342.468 4.972 50 0 EJAARN Cc1nc(-c2ccc(N[C@H](C)c3nc(C(C)(C)C)no3)cc2)cs1 ZINC000046814987 564025437 /nfs/dbraw/zinc/02/54/37/564025437.db2.gz YWFXSVQXZRRNDE-LLVKDONJSA-N 0 0 342.468 4.972 50 0 EJAARN C[C@H](Nc1cccc(OCc2cscn2)c1)c1cccc(O)c1 ZINC000194953369 564025836 /nfs/dbraw/zinc/02/58/36/564025836.db2.gz AXPLTDCYGHQAEL-ZDUSSCGKSA-N 0 0 326.421 4.601 50 0 EJAARN Clc1ccc(C2=NN(Cc3ccc(Br)cc3)CC2)cc1 ZINC000044973432 564027976 /nfs/dbraw/zinc/02/79/76/564027976.db2.gz HRAAVPKNDQVNLF-UHFFFAOYSA-N 0 0 349.659 4.713 50 0 EJAARN Brc1ccc(SCc2cccc3cccnc32)nc1 ZINC000045025964 564028081 /nfs/dbraw/zinc/02/80/81/564028081.db2.gz RQIRTYRFHRORTR-UHFFFAOYSA-N 0 0 331.238 4.685 50 0 EJAARN COc1ccccc1NC(=O)[C@H](C)SCc1cccc(Cl)c1 ZINC000045089805 564028119 /nfs/dbraw/zinc/02/81/19/564028119.db2.gz PLTJRTXIPRCHAY-LBPRGKRZSA-N 0 0 335.856 4.609 50 0 EJAARN Cc1ccc(C)c(NC(=O)c2cn(C)nc2-c2ccccc2Cl)c1 ZINC000108668385 564028422 /nfs/dbraw/zinc/02/84/22/564028422.db2.gz LDBVBVUJFYEBJX-UHFFFAOYSA-N 0 0 339.826 4.610 50 0 EJAARN C[C@@H](NC(=O)N(C)Cc1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000045636965 564028551 /nfs/dbraw/zinc/02/85/51/564028551.db2.gz DJZSSJBCMLKSOK-CYBMUJFWSA-N 0 0 336.357 4.608 50 0 EJAARN CN(Cc1noc(C(C)(C)C)n1)C(c1ccccc1)c1ccccc1 ZINC000045810226 564028677 /nfs/dbraw/zinc/02/86/77/564028677.db2.gz 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/nfs/dbraw/zinc/03/01/00/564030100.db2.gz ZIDBFARDHLYIMB-INIZCTEOSA-N 0 0 347.505 4.753 50 0 EJAARN Fc1ccc(OCc2nnc(SCCCc3ccccc3)o2)cc1 ZINC000048313769 564031028 /nfs/dbraw/zinc/03/10/28/564031028.db2.gz GWMVYQTZPHAYNP-UHFFFAOYSA-N 0 0 344.411 4.513 50 0 EJAARN CSc1ncccc1C(=O)N1CCCc2cc(C(C)C)ccc21 ZINC000048353579 564031386 /nfs/dbraw/zinc/03/13/86/564031386.db2.gz WLCCNDCLXJVDHL-UHFFFAOYSA-N 0 0 326.465 4.520 50 0 EJAARN O=C(N[C@H]1CCc2ccccc21)c1ccccc1SC(F)(F)F ZINC000048355582 564031445 /nfs/dbraw/zinc/03/14/45/564031445.db2.gz VYIHATPQFMIIJD-AWEZNQCLSA-N 0 0 337.366 4.716 50 0 EJAARN COc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)c[nH]2)cc1Cl ZINC000049027168 564032411 /nfs/dbraw/zinc/03/24/11/564032411.db2.gz QXQQZXNSYDOOOT-UHFFFAOYSA-N 0 0 344.773 4.735 50 0 EJAARN COc1ccccc1-c1nc(COc2cc(C)c(Cl)c(C)c2)no1 ZINC000006747913 564033437 /nfs/dbraw/zinc/03/34/37/564033437.db2.gz PBDWSLMMBADSPY-UHFFFAOYSA-N 0 0 344.798 4.594 50 0 EJAARN Cc1ccc(Oc2ccc(OCC(=O)NC3CCCCC3)cc2)cc1 ZINC000006814677 564033528 /nfs/dbraw/zinc/03/35/28/564033528.db2.gz HDVQWWGPTXPNLC-UHFFFAOYSA-N 0 0 339.435 4.615 50 0 EJAARN C[C@@H](c1nccs1)N(C)C(=O)c1cccc(Oc2ccccc2)c1 ZINC000215947324 564033721 /nfs/dbraw/zinc/03/37/21/564033721.db2.gz MYVJFGJWIXEGES-AWEZNQCLSA-N 0 0 338.432 4.769 50 0 EJAARN O=C(NCc1cccs1)/C(=C/c1cccs1)c1ccccc1 ZINC000005771962 564034487 /nfs/dbraw/zinc/03/44/87/564034487.db2.gz HIQOCSAXJCWHMM-SFQUDFHCSA-N 0 0 325.458 4.667 50 0 EJAARN O=C(CCCCCn1cccc1)N[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000604419382 564034888 /nfs/dbraw/zinc/03/48/88/564034888.db2.gz GTXMQYAOQHJOIQ-FQEVSTJZSA-N 0 0 349.478 4.724 50 0 EJAARN Cc1cc2n(n1)[C@@H](c1c[nH]c3ccccc31)Nc1c(C)cc(C)cc1-2 ZINC000000818039 564034998 /nfs/dbraw/zinc/03/49/98/564034998.db2.gz VRKMASSCSZJZMM-NRFANRHFSA-N 0 0 328.419 4.929 50 0 EJAARN O=[S@@](CCc1ccccc1)Cc1ccccc1Oc1ccccc1 ZINC000220130288 564035845 /nfs/dbraw/zinc/03/58/45/564035845.db2.gz MHZSCYJFQNNHSR-DEOSSOPVSA-N 0 0 336.456 4.970 50 0 EJAARN CCN(C[C@H]1CCCCO1)C(=O)c1cccc(Oc2ccccc2)c1 ZINC000220331029 564035866 /nfs/dbraw/zinc/03/58/66/564035866.db2.gz PJOATLLHKBYRMW-HXUWFJFHSA-N 0 0 339.435 4.510 50 0 EJAARN O=C(Nc1ccc(Cl)cc1)c1ccc(OCc2cccnc2)cc1 ZINC000032034762 564035936 /nfs/dbraw/zinc/03/59/36/564035936.db2.gz GVAHGNDZQGEDTK-UHFFFAOYSA-N 0 0 338.794 4.566 50 0 EJAARN COc1cccc(CO[C@H]2C[C@@H](C)S[C@@H]3C=CC(Cl)=C[C@@H]32)c1 ZINC000221673449 564036386 /nfs/dbraw/zinc/03/63/86/564036386.db2.gz TUBWQLBEFSFOMZ-GQAVTEOGSA-N 0 0 336.884 4.783 50 0 EJAARN CCC(CC)C(=O)Nc1ccc2oc(-c3ccc(OC)cc3)nc2c1 ZINC000033004056 564036410 /nfs/dbraw/zinc/03/64/10/564036410.db2.gz LIGKAJLDJHWGLJ-UHFFFAOYSA-N 0 0 338.407 4.878 50 0 EJAARN Cc1ccc(-c2ocnc2C(=O)Nc2ccc(C)cc2Cl)s1 ZINC000033049121 564036447 /nfs/dbraw/zinc/03/64/47/564036447.db2.gz SBVGZQOKHVLKPB-UHFFFAOYSA-N 0 0 332.812 4.926 50 0 EJAARN CCc1nc(-c2ccc(NC(=O)Nc3c(C)cccc3C)cc2)no1 ZINC000033257332 564036613 /nfs/dbraw/zinc/03/66/13/564036613.db2.gz LCSOZGFQYXJUSH-UHFFFAOYSA-N 0 0 336.395 4.560 50 0 EJAARN CCCOC(=O)c1cnc2nc(C)ccc2c1Nc1cccc(CC)c1 ZINC000033292610 564036654 /nfs/dbraw/zinc/03/66/54/564036654.db2.gz YMXMNZBEBGXLLV-UHFFFAOYSA-N 0 0 349.434 4.811 50 0 EJAARN Cc1cccc(C)c1NC(=O)/C=C\c1ccc(Br)cc1 ZINC000033317295 564036698 /nfs/dbraw/zinc/03/66/98/564036698.db2.gz CLGNLOWUFHRXAL-FLIBITNWSA-N 0 0 330.225 4.718 50 0 EJAARN C[C@@H](NCc1ccc(-c2nc3ccccc3s2)o1)c1ccccn1 ZINC000026308685 564039558 /nfs/dbraw/zinc/03/95/58/564039558.db2.gz KIBKWXMWELFCRJ-CYBMUJFWSA-N 0 0 335.432 4.802 50 0 EJAARN CCC[C@@H](C)NC(=O)Nc1ccc(Sc2nc(C)cs2)cc1 ZINC000039564089 564043709 /nfs/dbraw/zinc/04/37/09/564043709.db2.gz WRCWQGPDORCBDE-LLVKDONJSA-N 0 0 335.498 4.913 50 0 EJAARN C[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccc(C(F)(F)F)cc1 ZINC000029238750 564047865 /nfs/dbraw/zinc/04/78/65/564047865.db2.gz COAAUCFNODYPJZ-LBPRGKRZSA-N 0 0 346.352 4.607 50 0 EJAARN O=C(c1cc(Cl)nc(Cl)c1)N1CCCC[C@@H]1c1ccccc1 ZINC000225601990 564048259 /nfs/dbraw/zinc/04/82/59/564048259.db2.gz NNDXBTKREJXTPI-CQSZACIVSA-N 0 0 335.234 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/nfs/dbraw/zinc/05/58/33/564055833.db2.gz BQNVVPPVBZECMC-VBLUMELBSA-N 0 0 332.484 4.530 50 0 EJAARN CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCC(=O)C[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257346168 564055890 /nfs/dbraw/zinc/05/58/90/564055890.db2.gz SYTVBUBBHFDVIK-WPGPQETBSA-N 0 0 332.484 4.530 50 0 EJAARN CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000257355726 564055925 /nfs/dbraw/zinc/05/59/25/564055925.db2.gz CGMZETDGTMDEAD-KWPCTOSPSA-N 0 0 332.528 4.841 50 0 EJAARN CCOC(=O)c1sc2ncnc(Oc3cccc(Cl)c3)c2c1C ZINC000015175308 564056016 /nfs/dbraw/zinc/05/60/16/564056016.db2.gz DCBQKEJQOJIHNL-UHFFFAOYSA-N 0 0 348.811 4.622 50 0 EJAARN Cc1cccc(N2C(=O)S[C@H](Nc3ccc(C)c(Cl)c3)C2=O)c1 ZINC000001187400 564056301 /nfs/dbraw/zinc/05/63/01/564056301.db2.gz DRUCSDFFYPQFFE-HNNXBMFYSA-N 0 0 346.839 4.595 50 0 EJAARN Cc1cccn2c(NC(=O)c3ccccc3F)c(-c3ccccc3)nc12 ZINC000005827162 564056513 /nfs/dbraw/zinc/05/65/13/564056513.db2.gz CLSOIBYVTZNZJB-UHFFFAOYSA-N 0 0 345.377 4.701 50 0 EJAARN Cc1cc(C(=O)COc2ccccc2Cl)c(C)n1Cc1ccco1 ZINC000005861710 564056695 /nfs/dbraw/zinc/05/66/95/564056695.db2.gz PLVDSORHEFZFCE-UHFFFAOYSA-N 0 0 343.810 4.661 50 0 EJAARN C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000005866530 564056715 /nfs/dbraw/zinc/05/67/15/564056715.db2.gz HOBJBJACWDLDOS-VIFPVBQESA-N 0 0 328.170 4.539 50 0 EJAARN Cc1ccc(-c2nc3ccccn3c2NC(=O)c2ccccc2F)cc1 ZINC000005905919 564056943 /nfs/dbraw/zinc/05/69/43/564056943.db2.gz MRDKDRCBECUHDJ-UHFFFAOYSA-N 0 0 345.377 4.701 50 0 EJAARN CCc1cc(C(=O)OC)c(NC(=S)Nc2cccc(C)c2C)s1 ZINC000005950077 564057253 /nfs/dbraw/zinc/05/72/53/564057253.db2.gz RQBXHSQOTLYQKS-UHFFFAOYSA-N 0 0 348.493 4.523 50 0 EJAARN CCC(=O)N(CC[C@H](c1ccc(OC)cc1)C(C)C)Cc1ccco1 ZINC000001772051 564057305 /nfs/dbraw/zinc/05/73/05/564057305.db2.gz YOUTXFCSFJUFOY-FQEVSTJZSA-N 0 0 343.467 4.857 50 0 biogenic EJAARN O=C(CCCSc1nc2ccccc2s1)NCc1cccs1 ZINC000005978237 564057404 /nfs/dbraw/zinc/05/74/04/564057404.db2.gz HIZKHEPIBAFQAW-UHFFFAOYSA-N 0 0 348.518 4.547 50 0 EJAARN c1nc(SCc2csc(Cc3ccccc3)n2)n2ccccc12 ZINC000031651934 564057872 /nfs/dbraw/zinc/05/78/72/564057872.db2.gz BXNYIXMIXOYBBA-UHFFFAOYSA-N 0 0 337.473 4.674 50 0 EJAARN C[C@@H](Sc1nnc(-c2c[nH]c3ccccc32)o1)C(=O)c1ccccc1 ZINC000031685527 564057948 /nfs/dbraw/zinc/05/79/48/564057948.db2.gz HJAODULBWNYUTG-GFCCVEGCSA-N 0 0 349.415 4.581 50 0 EJAARN COc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2cccs2)c1 ZINC000012532917 564058332 /nfs/dbraw/zinc/05/83/32/564058332.db2.gz PTRSHSITBFEHIJ-SFHVURJKSA-N 0 0 336.416 4.528 50 0 EJAARN Fc1ccc(-c2nnc(N3CCCCC3)c3ccccc32)cc1F ZINC000003211018 564058470 /nfs/dbraw/zinc/05/84/70/564058470.db2.gz FUZDGZCVGSZZLM-UHFFFAOYSA-N 0 0 325.362 4.565 50 0 EJAARN COc1ccc(-c2nc(CSc3ncccc3Cl)co2)cc1 ZINC000043896119 564058563 /nfs/dbraw/zinc/05/85/63/564058563.db2.gz ZKWMMFTWXRQHOZ-UHFFFAOYSA-N 0 0 332.812 4.691 50 0 EJAARN Cc1csc(NC(=O)c2cc(-c3ccco3)nc3ccccc32)n1 ZINC000003249761 564058680 /nfs/dbraw/zinc/05/86/80/564058680.db2.gz FJNSTSOBVHFVEK-UHFFFAOYSA-N 0 0 335.388 4.512 50 0 EJAARN CSc1nc2ccc(NC(=O)/C=C/c3cccs3)cc2s1 ZINC000003247699 564058706 /nfs/dbraw/zinc/05/87/06/564058706.db2.gz QEMIEYLGSJRAQN-FNORWQNLSA-N 0 0 332.475 4.732 50 0 EJAARN C[C@H]1CCCN(C(=O)c2cn(Cc3ccccc3)c3ccccc23)C1 ZINC000012545342 564058813 /nfs/dbraw/zinc/05/88/13/564058813.db2.gz ICIBOBHIYAUWRC-KRWDZBQOSA-N 0 0 332.447 4.562 50 0 EJAARN Cc1nc(SCc2cccc(Cl)c2)n(C[C@@H]2CCCO2)c1C ZINC000012544693 564058822 /nfs/dbraw/zinc/05/88/22/564058822.db2.gz SLRJMYIWRTZNGL-INIZCTEOSA-N 0 0 336.888 4.625 50 0 EJAARN O=C(Cc1c(Cl)cccc1Cl)Nc1nc2ccccc2s1 ZINC000003279526 564058920 /nfs/dbraw/zinc/05/89/20/564058920.db2.gz HBRGAUMYRPQADO-UHFFFAOYSA-N 0 0 337.231 4.784 50 0 EJAARN C[C@H]1CCc2nc(NC(=S)Nc3ccc(Cl)cc3)sc2C1 ZINC000003304946 564059146 /nfs/dbraw/zinc/05/91/46/564059146.db2.gz WDKRFVJAYVIHEI-VIFPVBQESA-N 0 0 337.901 4.730 50 0 EJAARN Cc1csc(S[C@H](C)C(=O)Nc2ccc3ccccc3c2)n1 ZINC000003307585 564059158 /nfs/dbraw/zinc/05/91/58/564059158.db2.gz RBDXNMIXKFQHGE-GFCCVEGCSA-N 0 0 328.462 4.724 50 0 EJAARN CSc1ncc(-c2ccccc2)n1-c1ccc(OC(F)F)cc1 ZINC000044088088 564059518 /nfs/dbraw/zinc/05/95/18/564059518.db2.gz IMVHNJSGRRUNLB-UHFFFAOYSA-N 0 0 332.375 4.863 50 0 EJAARN COc1cc(Cl)c(C)cc1NC(=O)c1csc2c1CCCC2 ZINC000003476811 564059767 /nfs/dbraw/zinc/05/97/67/564059767.db2.gz HJQIMZVYMWFBTF-UHFFFAOYSA-N 0 0 335.856 4.850 50 0 EJAARN Cc1cccc2sc(NC(=O)CCc3c[nH]c4ccccc34)nc21 ZINC000003524353 564059914 /nfs/dbraw/zinc/05/99/14/564059914.db2.gz KRYHBEBVNVOOMY-UHFFFAOYSA-N 0 0 335.432 4.657 50 0 EJAARN O=C(c1ccccc1C(F)(F)F)N(Cc1ccsc1)C1CC1 ZINC000044446590 564060123 /nfs/dbraw/zinc/06/01/23/564060123.db2.gz PYZWZOLQJQKNAS-UHFFFAOYSA-N 0 0 325.355 4.572 50 0 EJAARN C[C@H](NC(=O)CCCc1nc2ccccc2s1)c1cccs1 ZINC000012600879 564060396 /nfs/dbraw/zinc/06/03/96/564060396.db2.gz HTIBWZVXNKYJFV-LBPRGKRZSA-N 0 0 330.478 4.558 50 0 EJAARN O=C(CCc1ccco1)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000012601398 564060439 /nfs/dbraw/zinc/06/04/39/564060439.db2.gz CYJPMBSAPHBZKZ-MRXNPFEDSA-N 0 0 340.448 4.576 50 0 EJAARN CC[C@H](O)c1ccc(-c2cccc(C(=O)N3CCCCCC3)c2)cc1 ZINC000299774091 564060798 /nfs/dbraw/zinc/06/07/98/564060798.db2.gz AEAQFLYHHWFBAG-NRFANRHFSA-N 0 0 337.463 4.813 50 0 EJAARN CCOC(=O)c1csc(Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000045170299 564061025 /nfs/dbraw/zinc/06/10/25/564061025.db2.gz KSLINKVVPFQVIF-UHFFFAOYSA-N 0 0 340.404 4.856 50 0 EJAARN CCOc1ccc2[nH]c(SCc3nc4ccccc4s3)nc2c1 ZINC000012652205 564062424 /nfs/dbraw/zinc/06/24/24/564062424.db2.gz CCJCEZFTVIYEIF-UHFFFAOYSA-N 0 0 341.461 4.864 50 0 EJAARN Cc1ccc([C@H](NC(=O)c2ccc(F)c(F)c2)c2ccccc2)cc1 ZINC000012686218 564062664 /nfs/dbraw/zinc/06/26/64/564062664.db2.gz RDMTYJVNKFGZGG-HXUWFJFHSA-N 0 0 337.369 4.793 50 0 EJAARN Cc1cccc2cc3c(NC(=O)CC(C)C)nn(CC(C)C)c3nc12 ZINC000001298310 564063019 /nfs/dbraw/zinc/06/30/19/564063019.db2.gz ZWKWWDUPOMDRDN-UHFFFAOYSA-N 0 0 338.455 4.534 50 0 EJAARN O=C(Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1)c1cccs1 ZINC000001317598 564063150 /nfs/dbraw/zinc/06/31/50/564063150.db2.gz INVQLZRFOXQXSH-UHFFFAOYSA-N 0 0 348.379 4.741 50 0 EJAARN CCc1ccc([C@H]2C[C@H](C)CCN2c2ncnc3ccsc32)o1 ZINC000083825416 564063525 /nfs/dbraw/zinc/06/35/25/564063525.db2.gz TYFYBKFYAIPFQQ-IUODEOHRSA-N 0 0 327.453 4.824 50 0 EJAARN FC(F)(F)c1nc2ccccc2c2nnc(-c3ccc(Cl)cc3)n21 ZINC000001383136 564064076 /nfs/dbraw/zinc/06/40/76/564064076.db2.gz HFCLVRUIEMYMSM-UHFFFAOYSA-N 0 0 348.715 4.617 50 0 EJAARN Cc1nc2cc(N[C@H](C)C(=O)Nc3cc(Cl)ccc3C)ccc2o1 ZINC000012730435 564064210 /nfs/dbraw/zinc/06/42/10/564064210.db2.gz LBGXJWYKPKRWEK-LLVKDONJSA-N 0 0 343.814 4.537 50 0 EJAARN Fc1cccc(Cn2c3ccccc3nc2-c2cccnc2Cl)c1 ZINC000001386010 564064216 /nfs/dbraw/zinc/06/42/16/564064216.db2.gz ZJQJMSFZGQBSQD-UHFFFAOYSA-N 0 0 337.785 4.939 50 0 EJAARN O=C(c1ccc(F)cc1)n1ccc(-c2cnc(-c3ccccc3)s2)n1 ZINC000001388995 564064325 /nfs/dbraw/zinc/06/43/25/564064325.db2.gz IFOCPCKYUOWVCL-UHFFFAOYSA-N 0 0 349.390 4.501 50 0 EJAARN Cc1ccc(C(=O)N2c3ccccc3OC[C@H]2c2ccccc2)cc1 ZINC000001389079 564064340 /nfs/dbraw/zinc/06/43/40/564064340.db2.gz ZUMAPKYTNXWZHB-FQEVSTJZSA-N 0 0 329.399 4.776 50 0 EJAARN COc1ccc(SCC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000001402839 564065106 /nfs/dbraw/zinc/06/51/06/564065106.db2.gz NPDFHPMUPDAOGG-UHFFFAOYSA-N 0 0 342.247 4.733 50 0 EJAARN c1ccc2c(c1)nc(-c1cccnc1)nc2N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000012747813 564066006 /nfs/dbraw/zinc/06/60/06/564066006.db2.gz OMPIEIUHJRIKOH-FUHWJXTLSA-N 0 0 344.462 4.708 50 0 EJAARN Cc1cc([C@@H](C)NC(=O)Nc2ccc3c(c2)CCCN3C)c(C)s1 ZINC000084081848 564066244 /nfs/dbraw/zinc/06/62/44/564066244.db2.gz QVAGJXSPQVUAID-CYBMUJFWSA-N 0 0 343.496 4.630 50 0 EJAARN Cc1cc(CNc2ccccc2NC(=O)c2ccc(Cl)cc2)no1 ZINC000084117157 564066737 /nfs/dbraw/zinc/06/67/37/564066737.db2.gz FONSGFTUPJLNOR-UHFFFAOYSA-N 0 0 341.798 4.501 50 0 EJAARN C[C@@]12CC(C)(C)c3ccccc3[C@]1(C)N(Cc1ccccc1)C(=O)O2 ZINC000001430480 564066943 /nfs/dbraw/zinc/06/69/43/564066943.db2.gz YKHFUHFZOPAGCY-YADHBBJMSA-N 0 0 335.447 4.994 50 0 EJAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1ccnn1C1CCCCC1 ZINC000012756691 564067321 /nfs/dbraw/zinc/06/73/21/564067321.db2.gz OOLRFLVUJJJBGE-UHFFFAOYSA-N 0 0 341.386 4.834 50 0 EJAARN Cc1cccc(C2(CNC(=O)[C@@H]3C[C@H]3c3cccnc3)CCCCC2)c1 ZINC000084210684 564067444 /nfs/dbraw/zinc/06/74/44/564067444.db2.gz POUOZMVNVPUUIS-LEWJYISDSA-N 0 0 348.490 4.512 50 0 EJAARN CCCOc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)cc1 ZINC000012764734 564067903 /nfs/dbraw/zinc/06/79/03/564067903.db2.gz SVLWLBCYBXOYOZ-UHFFFAOYSA-N 0 0 345.468 4.627 50 0 EJAARN CC[C@@H](C)C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC000012764657 564067911 /nfs/dbraw/zinc/06/79/11/564067911.db2.gz BUXWFLQNLNNATD-SNVBAGLBSA-N 0 0 342.386 4.737 50 0 EJAARN CC(C)(NCc1noc(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1 ZINC000084370340 564067923 /nfs/dbraw/zinc/06/79/23/564067923.db2.gz DHJBKHYTSMQNJJ-UHFFFAOYSA-N 0 0 345.805 4.554 50 0 EJAARN CCOc1ccc(OCC)c(NC(=O)C[C@H](C)c2ccccc2)c1 ZINC000012767511 564068232 /nfs/dbraw/zinc/06/82/32/564068232.db2.gz TZDHDJWTJLGMEP-HNNXBMFYSA-N 0 0 327.424 4.616 50 0 EJAARN FC(F)(F)c1nc2ccccc2c(N[C@H]2C[C@@H]2c2ccccc2)n1 ZINC000084525476 564068442 /nfs/dbraw/zinc/06/84/42/564068442.db2.gz BUWRPUDKFVOJAV-HIFRSBDPSA-N 0 0 329.325 4.617 50 0 EJAARN CCOc1ccc(OCC)c(NC(=O)CSc2ccccc2C)c1 ZINC000015568199 564068591 /nfs/dbraw/zinc/06/85/91/564068591.db2.gz LRXPSJJTKJHDRP-UHFFFAOYSA-N 0 0 345.464 4.523 50 0 EJAARN O=C(Nc1cnn(-c2ccccc2)c1)c1ccc(-c2ccc(F)cc2)o1 ZINC000084576672 564068735 /nfs/dbraw/zinc/06/87/35/564068735.db2.gz BZOYOOWKAMTOBJ-UHFFFAOYSA-N 0 0 347.349 4.524 50 0 EJAARN O=C(CSC(c1ccccc1)c1ccccc1)NC1CCCC1 ZINC000015593157 564069086 /nfs/dbraw/zinc/06/90/86/564069086.db2.gz JNKLTMTXBREXHZ-UHFFFAOYSA-N 0 0 325.477 4.568 50 0 EJAARN CC(C)c1nc2ccc(NCc3nc(-c4ccco4)no3)cc2s1 ZINC000084631210 564069220 /nfs/dbraw/zinc/06/92/20/564069220.db2.gz QSYSFHSQSZCGHM-UHFFFAOYSA-N 0 0 340.408 4.675 50 0 EJAARN C[C@H](Cc1nc2ccccc2s1)NC(=O)Nc1ccccc1Cl ZINC000084641009 564069331 /nfs/dbraw/zinc/06/93/31/564069331.db2.gz RRPDGBNUQDOFTF-LLVKDONJSA-N 0 0 345.855 4.702 50 0 EJAARN C[C@@H](Cc1nc2ccccc2s1)NC(=O)Nc1ccccc1Cl ZINC000084641007 564069336 /nfs/dbraw/zinc/06/93/36/564069336.db2.gz RRPDGBNUQDOFTF-NSHDSACASA-N 0 0 345.855 4.702 50 0 EJAARN CO[C@@H](C)c1cccc(NC(=O)N([C@H](C)c2ccco2)C2CC2)c1 ZINC000084656150 564069426 /nfs/dbraw/zinc/06/94/26/564069426.db2.gz OPQVVJGNOQXUGM-KGLIPLIRSA-N 0 0 328.412 4.745 50 0 EJAARN CO[C@H](C)c1cccc(NC(=O)N([C@@H](C)c2ccco2)C2CC2)c1 ZINC000084656148 564069444 /nfs/dbraw/zinc/06/94/44/564069444.db2.gz OPQVVJGNOQXUGM-UONOGXRCSA-N 0 0 328.412 4.745 50 0 EJAARN C[C@H](NC(=O)c1ccc(-c2cccc(Cl)c2)s1)c1ccccn1 ZINC000084661040 564069491 /nfs/dbraw/zinc/06/94/91/564069491.db2.gz NBQYYBDKLPDJKB-LBPRGKRZSA-N 0 0 342.851 4.955 50 0 EJAARN O=C(CCc1ncc(-c2ccccc2)o1)N1CCC[C@@H]1c1ccccc1 ZINC000012778320 564069733 /nfs/dbraw/zinc/06/97/33/564069733.db2.gz JJUREDSPPRHVQV-LJQANCHMSA-N 0 0 346.430 4.638 50 0 EJAARN COCc1cccc(C(=O)Nc2cccc(Oc3ccccc3)c2)c1 ZINC000012779451 564069819 /nfs/dbraw/zinc/06/98/19/564069819.db2.gz ILHQPUHNSWTBRR-UHFFFAOYSA-N 0 0 333.387 4.878 50 0 EJAARN CCC(C)(C)NC(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C ZINC000084721101 564069839 /nfs/dbraw/zinc/06/98/39/564069839.db2.gz LENIHIZHOYZDSB-UHFFFAOYSA-N 0 0 344.503 4.537 50 0 EJAARN CC[C@@H](C(=O)Nc1cccc(-c2nccs2)c1)c1c(C)noc1C ZINC000084733925 564069885 /nfs/dbraw/zinc/06/98/85/564069885.db2.gz XMBGSEVYCMLGIR-OAHLLOKOSA-N 0 0 341.436 4.547 50 0 EJAARN CCN(C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)C1CCCC1 ZINC000084761147 564070087 /nfs/dbraw/zinc/07/00/87/564070087.db2.gz XYLWGCKMJJCDNB-GJZGRUSLSA-N 0 0 325.374 4.600 50 0 EJAARN O=C(COc1ccccc1-c1ccccc1)Nc1c(F)cccc1F ZINC000012782648 564070093 /nfs/dbraw/zinc/07/00/93/564070093.db2.gz NSVQSUQCEBWDRA-UHFFFAOYSA-N 0 0 339.341 4.649 50 0 EJAARN COc1ccccc1[C@@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000012785659 564070260 /nfs/dbraw/zinc/07/02/60/564070260.db2.gz HLTSLBRTIOEWLW-CQSZACIVSA-N 0 0 348.446 4.546 50 0 EJAARN CC(C)c1nc([C@H](C)NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)cs1 ZINC000074160091 564070404 /nfs/dbraw/zinc/07/04/04/564070404.db2.gz BBUQAZZAZYJWQI-GLQYFDAESA-N 0 0 348.899 4.901 50 0 EJAARN CCCCC(=O)Nc1cccc(-c2nc(-c3ccccc3C)no2)c1 ZINC000015671102 564070469 /nfs/dbraw/zinc/07/04/69/564070469.db2.gz XSKKAAMEQYDELO-UHFFFAOYSA-N 0 0 335.407 4.841 50 0 EJAARN Cc1cnc(CN[C@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)o1 ZINC000184954485 564070847 /nfs/dbraw/zinc/07/08/47/564070847.db2.gz QANQDPGWTDICNN-LLVKDONJSA-N 0 0 347.871 4.919 50 0 EJAARN CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1cnccc1Cl ZINC000085259625 564072372 /nfs/dbraw/zinc/07/23/72/564072372.db2.gz WZSFLMNFSIMINH-INIZCTEOSA-N 0 0 332.831 4.655 50 0 EJAARN CCc1cnc([C@H](C)NCc2coc(-c3ccc(C)cc3)n2)s1 ZINC000085332107 564072698 /nfs/dbraw/zinc/07/26/98/564072698.db2.gz PLAVCKNKFXGTJP-ZDUSSCGKSA-N 0 0 327.453 4.520 50 0 EJAARN Cc1cc(Cl)ccc1NC(=O)c1noc2c1CCc1sccc1-2 ZINC000015733315 564072774 /nfs/dbraw/zinc/07/27/74/564072774.db2.gz QITDIRLKKLBFHJ-UHFFFAOYSA-N 0 0 344.823 4.716 50 0 EJAARN CC1=Nc2c(c(=O)[nH]n2C2CCCCC2)[C@H](c2cccc(F)c2)S1 ZINC000085411932 564072883 /nfs/dbraw/zinc/07/28/83/564072883.db2.gz WWWKFZZBEKLUPO-INIZCTEOSA-N 0 0 345.443 4.707 50 0 EJAARN Cc1ccc(C(=O)OCc2csc(-c3ccc(C)cc3)n2)s1 ZINC000006052227 564073054 /nfs/dbraw/zinc/07/30/54/564073054.db2.gz LAOGINMXGZXQNR-UHFFFAOYSA-N 0 0 329.446 4.845 50 0 EJAARN O=C(Nc1nc2c(cccc2C(F)(F)F)s1)[C@H]1CC=CCC1 ZINC000012816375 564073156 /nfs/dbraw/zinc/07/31/56/564073156.db2.gz DHKMJKLWPGYORS-VIFPVBQESA-N 0 0 326.343 4.610 50 0 EJAARN Cc1nc2sc3c(c2c(NCCc2cccs2)n1)CCCC3 ZINC000001465886 564073250 /nfs/dbraw/zinc/07/32/50/564073250.db2.gz GPKSTQIQBYIVCU-UHFFFAOYSA-N 0 0 329.494 4.595 50 0 EJAARN O=C(Nc1ccc(Cl)cc1)N[C@H]1CCSc2c(F)cccc21 ZINC000012819111 564073272 /nfs/dbraw/zinc/07/32/72/564073272.db2.gz VMPRWYURESZXNL-AWEZNQCLSA-N 0 0 336.819 4.838 50 0 EJAARN Cc1ccc(C2=Nn3c(nnc3C3CCCCC3)S[C@@H]2C)cc1C ZINC000006087146 564073762 /nfs/dbraw/zinc/07/37/62/564073762.db2.gz JNPMTINLOSIPQX-CQSZACIVSA-N 0 0 340.496 4.689 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/nfs/dbraw/zinc/07/75/61/564077561.db2.gz FBYDMOPCXCRBSY-UHFFFAOYSA-N 0 0 339.464 4.740 50 0 EJAARN Cc1ccc2cc3cc(C(=O)N4C[C@H](C)C[C@H](C)C4)sc3nc2c1 ZINC000012894912 564077608 /nfs/dbraw/zinc/07/76/08/564077608.db2.gz BVJJIVLDDDTAAL-OKILXGFUSA-N 0 0 338.476 4.876 50 0 EJAARN O=C(Nc1cccc(OC(F)(F)F)c1)[C@H]1CCCc2ccccc21 ZINC000012899968 564077676 /nfs/dbraw/zinc/07/76/76/564077676.db2.gz HOXMLSUXRNVABU-INIZCTEOSA-N 0 0 335.325 4.644 50 0 EJAARN Cc1ccccc1[C@@H](C)NC(=O)Cc1csc(-c2cccs2)n1 ZINC000012926186 564078524 /nfs/dbraw/zinc/07/85/24/564078524.db2.gz QZZUPDIBMVLOHM-CYBMUJFWSA-N 0 0 342.489 4.600 50 0 EJAARN O=C(c1ccco1)n1nc(Nc2ccccc2)cc1Nc1ccccc1 ZINC000575442837 564079405 /nfs/dbraw/zinc/07/94/05/564079405.db2.gz FZGGHWIFEHQRJN-UHFFFAOYSA-N 0 0 344.374 4.652 50 0 EJAARN Cc1ccoc1C(=O)Nc1nc(-c2cc(C)c(F)cc2F)cs1 ZINC000075093888 564080002 /nfs/dbraw/zinc/08/00/02/564080002.db2.gz PYJWGNDNXABIMQ-UHFFFAOYSA-N 0 0 334.347 4.550 50 0 EJAARN Cc1nc(C(C)C)sc1C(=O)NC(C)(C)c1ccc(F)c(F)c1 ZINC000075106208 564080085 /nfs/dbraw/zinc/08/00/85/564080085.db2.gz VORZJMFYHGLEHV-UHFFFAOYSA-N 0 0 338.423 4.518 50 0 EJAARN COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000075142749 564080726 /nfs/dbraw/zinc/08/07/26/564080726.db2.gz HVHHXPKFXHHYMQ-RCCFBDPRSA-N 0 0 339.435 4.536 50 0 EJAARN O=C(Cc1cccc2ccccc21)N1CCC(c2cccs2)CC1 ZINC000075157043 564080916 /nfs/dbraw/zinc/08/09/16/564080916.db2.gz HPXFGFZRRYWXHS-UHFFFAOYSA-N 0 0 335.472 4.850 50 0 EJAARN CCCN(Cc1ccsc1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000075170393 564081013 /nfs/dbraw/zinc/08/10/13/564081013.db2.gz WDJLHKWDRUXWOX-UHFFFAOYSA-N 0 0 332.513 4.639 50 0 EJAARN O=C1N[C@](c2ccccc2)(C(F)(F)F)c2ccc3ccccc3c2O1 ZINC000075249769 564081173 /nfs/dbraw/zinc/08/11/73/564081173.db2.gz UHIHBLVASFQGMB-SFHVURJKSA-N 0 0 343.304 4.748 50 0 EJAARN CO[C@@]12C=C[C@@H](C(=O)C1)c1c(Cl)c(Cl)c(Cl)c(Cl)c12 ZINC000075261002 564081249 /nfs/dbraw/zinc/08/12/49/564081249.db2.gz QMCMWCWLHISEIA-QSGQRGAGSA-N 0 0 338.017 4.768 50 0 EJAARN Cc1nc2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)ccc2s1 ZINC000075272531 564081348 /nfs/dbraw/zinc/08/13/48/564081348.db2.gz LESBBDBDJRSQKS-UHFFFAOYSA-N 0 0 326.465 4.760 50 0 EJAARN O=C(Nc1ccc2ncccc2c1)c1ccc(Oc2nccs2)cc1 ZINC000225636712 564081680 /nfs/dbraw/zinc/08/16/80/564081680.db2.gz GJTKPYBXNYCVPM-UHFFFAOYSA-N 0 0 347.399 4.736 50 0 EJAARN O=C(NCc1ccc(-c2ccsc2)o1)c1ccc2ncsc2c1 ZINC000575611825 564082719 /nfs/dbraw/zinc/08/27/19/564082719.db2.gz XVSSLRNVUXGROR-UHFFFAOYSA-N 0 0 340.429 4.548 50 0 EJAARN Ic1ccc(/C=C2/C=Cc3ccccc32)cc1 ZINC000001702783 564082852 /nfs/dbraw/zinc/08/28/52/564082852.db2.gz QWBBBEJLPJVFIO-KAMYIIQDSA-N 0 0 330.168 4.859 50 0 EJAARN CC(=O)Nc1cccc(NC(=O)c2oc3c(cccc3Cl)c2C)c1 ZINC000006214871 564082983 /nfs/dbraw/zinc/08/29/83/564082983.db2.gz CHMOSHALSQAXMP-UHFFFAOYSA-N 0 0 342.782 4.605 50 0 EJAARN Cc1cc(OCC(=O)NCc2ccccc2F)c(C(C)C)cc1Cl ZINC000006260573 564083333 /nfs/dbraw/zinc/08/33/33/564083333.db2.gz IZZSQFUQCHSHFW-UHFFFAOYSA-N 0 0 349.833 4.606 50 0 EJAARN O=C(NCc1ccc(Cl)cc1Cl)c1ccccc1C(F)(F)F ZINC000006284606 564083544 /nfs/dbraw/zinc/08/35/44/564083544.db2.gz JPTXMUZNWHRWNU-UHFFFAOYSA-N 0 0 348.151 4.942 50 0 in-vitro EJAARN Cc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2cccc(F)c2)cc1 ZINC000006300381 564083713 /nfs/dbraw/zinc/08/37/13/564083713.db2.gz ASRHALXXBBVYDU-HXUWFJFHSA-N 0 0 349.409 4.573 50 0 EJAARN O=C1[C@@H]2CCCN2[C@@H](c2ccc(Cl)cc2)N1c1cccc(Cl)c1 ZINC000075402974 564084005 /nfs/dbraw/zinc/08/40/05/564084005.db2.gz PDDSHLLMZTWNAI-DLBZAZTESA-N 0 0 347.245 4.503 50 0 EJAARN Cn1c2ccccc2nc1SCc1csc(-c2ccccc2)n1 ZINC000006315483 564084492 /nfs/dbraw/zinc/08/44/92/564084492.db2.gz NUTDQZWULCBIQV-UHFFFAOYSA-N 0 0 337.473 4.989 50 0 EJAARN COc1ccc(Br)cc1/C=C/c1nc2ccccc2o1 ZINC000013141615 564085101 /nfs/dbraw/zinc/08/51/01/564085101.db2.gz QNSWGXYXXDWJDG-RMKNXTFCSA-N 0 0 330.181 4.769 50 0 EJAARN O=C(c1cccc(Cl)c1)N(Cc1ccoc1)Cc1cccs1 ZINC000090612093 564085072 /nfs/dbraw/zinc/08/50/72/564085072.db2.gz ZWSDXGVUGJBKPU-UHFFFAOYSA-N 0 0 331.824 4.837 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343.377 4.536 50 0 EJAARN Cc1nnc(SCc2ccccc2Cl)c2cc3occc3n21 ZINC000006894126 564086170 /nfs/dbraw/zinc/08/61/70/564086170.db2.gz WAGZEBMOUXGKJD-UHFFFAOYSA-N 0 0 329.812 4.730 50 0 EJAARN Cc1ccc(F)c(NC(=O)CCc2ccc3[nH]c(C(C)C)nc3c2)c1 ZINC000075478757 564086670 /nfs/dbraw/zinc/08/66/70/564086670.db2.gz ITSRLKFFJYCVBB-UHFFFAOYSA-N 0 0 339.414 4.705 50 0 EJAARN C[C@H](CNC(=O)CCc1ccc(-c2ccccc2)o1)c1ccccc1 ZINC000013013164 564086773 /nfs/dbraw/zinc/08/67/73/564086773.db2.gz DWNRLGNYKKNSJL-QGZVFWFLSA-N 0 0 333.431 4.799 50 0 EJAARN c1ccc(CN=c2nc(-c3ccccc3)n(-c3ccccc3)s2)cc1 ZINC000334156952 564087080 /nfs/dbraw/zinc/08/70/80/564087080.db2.gz JQPAQHRUZOUMMG-UHFFFAOYSA-N 0 0 343.455 4.702 50 0 EJAARN CCO[C@H](C)c1nc(CN2CCC[C@H]2c2ccc(C)c(C)c2)cs1 ZINC000239619621 564088180 /nfs/dbraw/zinc/08/81/80/564088180.db2.gz BFVQJOPRDLKUOZ-APWZRJJASA-N 0 0 344.524 5.195 50 0 EJAARN CCO[C@@H](C)c1nc(CN2CCC[C@H]2c2ccc(C)c(C)c2)cs1 ZINC000239619622 564088183 /nfs/dbraw/zinc/08/81/83/564088183.db2.gz 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/nfs/dbraw/zinc/10/56/69/564105669.db2.gz OWEBGNZDEKMBTF-UHFFFAOYSA-N 0 0 346.383 4.532 50 0 EJAARN O=C(N[C@H]1CCOc2ccccc21)c1ccccc1-c1ccccc1 ZINC000007216220 564105832 /nfs/dbraw/zinc/10/58/32/564105832.db2.gz WEYMNBBHNXPSTI-FQEVSTJZSA-N 0 0 329.399 4.607 50 0 EJAARN Cc1nc2ccc(N[C@@H](C)C(=O)Nc3ccc(Cl)cc3)cc2s1 ZINC000007242141 564105918 /nfs/dbraw/zinc/10/59/18/564105918.db2.gz IQHHPSCIEATZRZ-JTQLQIEISA-N 0 0 345.855 4.697 50 0 EJAARN Cc1nc2ccc(N[C@H](C)C(=O)Nc3ccc(Cl)cc3)cc2s1 ZINC000007242147 564105925 /nfs/dbraw/zinc/10/59/25/564105925.db2.gz IQHHPSCIEATZRZ-SNVBAGLBSA-N 0 0 345.855 4.697 50 0 EJAARN C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(Cl)cc1Cl ZINC000007242259 564105932 /nfs/dbraw/zinc/10/59/32/564105932.db2.gz MAVZNLYDTPWIQW-LLVKDONJSA-N 0 0 349.261 4.921 50 0 EJAARN Cc1cccc(C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)c1 ZINC000065489373 564106352 /nfs/dbraw/zinc/10/63/52/564106352.db2.gz VNBKAZZDWRFZKK-UHFFFAOYSA-N 0 0 348.471 4.872 50 0 EJAARN C[C@H](c1cc2ccccc2o1)N(C)Cc1noc(-c2cccs2)n1 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CO[C@@H](C)c1nc(COc2c(C)c(C)nc3ccc(F)cc32)cs1 ZINC000170598285 564109230 /nfs/dbraw/zinc/10/92/30/564109230.db2.gz SRLFTJVECPNMHK-LBPRGKRZSA-N 0 0 346.427 4.734 50 0 EJAARN Cc1noc(-c2ccccc2)c1NC(=O)Nc1ccc(F)c(F)c1F ZINC000170609660 564109702 /nfs/dbraw/zinc/10/97/02/564109702.db2.gz KYDCUGTVEXGKKL-UHFFFAOYSA-N 0 0 347.296 4.711 50 0 EJAARN Cc1ccc(-c2csc3ncnc(SC[C@H]4CCCO4)c23)cc1 ZINC000007540174 564109964 /nfs/dbraw/zinc/10/99/64/564109964.db2.gz HRKQDLVWBIBUTG-CQSZACIVSA-N 0 0 342.489 4.938 50 0 EJAARN Cc1ccccc1C(=O)N1N=C(c2ccco2)C[C@H]1c1ccsc1 ZINC000170619390 564110201 /nfs/dbraw/zinc/11/02/01/564110201.db2.gz BPKUTERCGLAPGZ-KRWDZBQOSA-N 0 0 336.416 4.641 50 0 EJAARN Clc1nc(NCc2ccc3c(c2)OCCCO3)cc2ccccc21 ZINC000170620648 564110255 /nfs/dbraw/zinc/11/02/55/564110255.db2.gz KLMRCMNWFJWNQZ-UHFFFAOYSA-N 0 0 340.810 4.662 50 0 EJAARN Cc1cc(C(=O)Nc2cccc(Oc3ccccc3)c2)nn1C(C)(C)C ZINC000170626203 564110494 /nfs/dbraw/zinc/11/04/94/564110494.db2.gz ACOWXPSMZHEKFP-UHFFFAOYSA-N 0 0 349.434 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ZINC000089874940 564114651 /nfs/dbraw/zinc/11/46/51/564114651.db2.gz SDGWOHJOLGLVPR-UHFFFAOYSA-N 0 0 344.396 4.713 50 0 EJAARN CC(C)c1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)no1 ZINC000076060607 564115118 /nfs/dbraw/zinc/11/51/18/564115118.db2.gz DSIKTYGFCJNIHK-GHMZBOCLSA-N 0 0 339.222 4.847 50 0 EJAARN CC(C)=C[C@H]1[C@@H](C(=O)OCc2ncc(-c3ccccc3)o2)C1(C)C ZINC000089914112 564115237 /nfs/dbraw/zinc/11/52/37/564115237.db2.gz NGISNRZQKUCZRE-YJBOKZPZSA-N 0 0 325.408 4.623 50 0 EJAARN O=C(NCc1cccc(C(F)(F)F)c1)C12CC3CC(CC(C3)C1)C2 ZINC000017064518 564116278 /nfs/dbraw/zinc/11/62/78/564116278.db2.gz JOLGNTZNLJPFRL-UHFFFAOYSA-N 0 0 337.385 4.538 50 0 EJAARN CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1[C@@H](C)CCC2 ZINC000000151138 564116658 /nfs/dbraw/zinc/11/66/58/564116658.db2.gz HOOIMJQJOQDEGF-JTQLQIEISA-N 0 0 349.477 4.678 50 0 EJAARN COc1cc(CO)cc(Cl)c1OCc1cccc2ccccc21 ZINC000000461410 564116676 /nfs/dbraw/zinc/11/66/76/564116676.db2.gz JWWXVTWLECMOAP-UHFFFAOYSA-N 0 0 328.795 4.573 50 0 EJAARN Cc1[nH]c2ccccc2c1C(=O)CSc1ccc2ccccc2n1 ZINC000001063076 564116832 /nfs/dbraw/zinc/11/68/32/564116832.db2.gz YXFFGGXASQALOZ-UHFFFAOYSA-N 0 0 332.428 5.000 50 0 EJAARN Cc1ccc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc1 ZINC000001139829 564116870 /nfs/dbraw/zinc/11/68/70/564116870.db2.gz RKNNVKROKYYUNZ-UHFFFAOYSA-N 0 0 329.443 4.947 50 0 EJAARN O=C(Nc1cccc(F)c1)c1ccc(CSc2ccccc2)o1 ZINC000002708421 564116929 /nfs/dbraw/zinc/11/69/29/564116929.db2.gz DYNIQTWESDYQFJ-UHFFFAOYSA-N 0 0 327.380 4.963 50 0 EJAARN Cc1cc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)ccc1Cl ZINC000003612167 564117115 /nfs/dbraw/zinc/11/71/15/564117115.db2.gz MAYGEHIOSYJAFK-UHFFFAOYSA-N 0 0 343.732 4.685 50 0 EJAARN CCc1ccccc1N1COc2c(C)c3oc(=O)c(C)c(C)c3cc2C1 ZINC000002118808 564118211 /nfs/dbraw/zinc/11/82/11/564118211.db2.gz FQRFEJGSEHFUJL-UHFFFAOYSA-N 0 0 349.430 4.637 50 0 biogenic EJAARN CC(C)c1ccc(NC(=O)Nc2ccc3c(c2)CCCC(=O)N3)cc1 ZINC000252492122 564119571 /nfs/dbraw/zinc/11/95/71/564119571.db2.gz MDHJHDNWDHCAFU-UHFFFAOYSA-N 0 0 337.423 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/nfs/dbraw/zinc/14/29/39/564142939.db2.gz DPOYGYPDMOSBMQ-UHFFFAOYSA-N 0 0 348.422 4.562 50 0 EJAARN Cc1noc(C)c1[C@@H](C)N[C@H](C)c1cc(Br)ccc1F ZINC000095968001 564143140 /nfs/dbraw/zinc/14/31/40/564143140.db2.gz WIZGCFOFHBHWJT-RKDXNWHRSA-N 0 0 341.224 4.605 50 0 EJAARN Cc1occc1Sc1cc(C(F)(F)F)nc(-c2ccccn2)n1 ZINC000096003742 564144471 /nfs/dbraw/zinc/14/44/71/564144471.db2.gz AZEWDZAAAAIUGO-UHFFFAOYSA-N 0 0 337.326 4.610 50 0 EJAARN CCc1c(C)nc2ccccc2c1NC(=O)c1ccc(OC(C)C)nc1 ZINC000096006633 564144530 /nfs/dbraw/zinc/14/45/30/564144530.db2.gz HSKJQQNMIDQNFY-UHFFFAOYSA-N 0 0 349.434 4.540 50 0 EJAARN CCN(Cc1nc2c(nccc2C)[nH]1)[C@H](C)c1cc2ccccc2o1 ZINC000096012936 564144815 /nfs/dbraw/zinc/14/48/15/564144815.db2.gz YLEZQZSHKHRLSC-CQSZACIVSA-N 0 0 334.423 4.596 50 0 EJAARN O=C(/C=C\c1ccc(Cl)c(C(F)(F)F)c1)NCc1cccs1 ZINC000096117706 564145453 /nfs/dbraw/zinc/14/54/53/564145453.db2.gz YCZGWNARWSZTSQ-XQRVVYSFSA-N 0 0 345.773 4.750 50 0 EJAARN CC(C)n1ccc2ccc(C(=O)N[C@@H](C)c3nc4ccccc4[nH]3)cc21 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330.387 4.580 50 0 EJAARN O=C(c1cc2ccccc2s1)N(CCc1cccs1)C1CC1 ZINC000225617690 564149968 /nfs/dbraw/zinc/14/99/68/564149968.db2.gz LKHCMOSOEPNKNV-UHFFFAOYSA-N 0 0 327.474 4.810 50 0 EJAARN Cc1nc2oc(-c3ccccc3)nc2cc1NC(=O)c1ccsc1 ZINC000225625098 564150009 /nfs/dbraw/zinc/15/00/09/564150009.db2.gz CDKARLNNVOXCFS-UHFFFAOYSA-N 0 0 335.388 4.512 50 0 EJAARN CC[C@H](C(=O)NCc1cncc(-c2cccs2)c1)c1ccccc1 ZINC000225663757 564150170 /nfs/dbraw/zinc/15/01/70/564150170.db2.gz NMXVPOLWXNBMCA-SFHVURJKSA-N 0 0 336.460 4.620 50 0 EJAARN O=C(NCc1ccccc1C(F)(F)F)C1(c2ccccc2)CCCC1 ZINC000002512702 564150279 /nfs/dbraw/zinc/15/02/79/564150279.db2.gz HBODDEQWXQXBCX-UHFFFAOYSA-N 0 0 347.380 4.834 50 0 EJAARN Cc1ccn(-c2ccc(NC(=O)c3ccc4[nH]c(C)c(C)c4c3)cc2)n1 ZINC000028240025 564150828 /nfs/dbraw/zinc/15/08/28/564150828.db2.gz TUHZVFGCIGDCOY-UHFFFAOYSA-N 0 0 344.418 4.531 50 0 EJAARN CC(C)Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F ZINC000002618276 564151171 /nfs/dbraw/zinc/15/11/71/564151171.db2.gz UBNYBGBMQZYUEF-UHFFFAOYSA-N 0 0 331.391 4.713 50 0 EJAARN CCOc1ccc(OCCC(=O)Nc2ccc3ccccc3c2)cc1 ZINC000002620904 564151227 /nfs/dbraw/zinc/15/12/27/564151227.db2.gz SYOHHGBTAYRWDD-UHFFFAOYSA-N 0 0 335.403 4.646 50 0 EJAARN Cc1nc(-c2ccc(C)cc2)c(CC(=O)Nc2ccc(C)cc2)s1 ZINC000002626929 564151349 /nfs/dbraw/zinc/15/13/49/564151349.db2.gz AGBNUGMAZLDQCH-UHFFFAOYSA-N 0 0 336.460 4.917 50 0 EJAARN O=c1[nH]c(-c2ccc(Cl)cc2)cn1-c1ccc(Cl)c(Cl)c1 ZINC000002631255 564151453 /nfs/dbraw/zinc/15/14/53/564151453.db2.gz OZAWMBIDQAOHHS-UHFFFAOYSA-N 0 0 339.609 4.793 50 0 EJAARN O=C(CCCSc1nc2ccccc2[nH]1)Nc1ccc(Cl)cc1 ZINC000002631107 564151458 /nfs/dbraw/zinc/15/14/58/564151458.db2.gz SGCDCLBLVOZRHR-UHFFFAOYSA-N 0 0 345.855 4.727 50 0 EJAARN C[C@H]1CCc2nc3ccccc3c(C(=O)Nc3ccccc3F)c2C1 ZINC000002632315 564151485 /nfs/dbraw/zinc/15/14/85/564151485.db2.gz DSNQZIDDOFBCMF-ZDUSSCGKSA-N 0 0 334.394 4.751 50 0 EJAARN Cc1nc(N2CCCCC2)sc1C(=S)Nc1ccc(C)c(C)c1 ZINC000002638209 564151630 /nfs/dbraw/zinc/15/16/30/564151630.db2.gz MDEQRHQQHAANBT-UHFFFAOYSA-N 0 0 345.537 4.846 50 0 EJAARN CC(C)[C@H](C(=O)Nc1nc2ccccc2[nH]1)c1ccc(Cl)cc1 ZINC000002644589 564151755 /nfs/dbraw/zinc/15/17/55/564151755.db2.gz YGXFVCBCJIVVGV-INIZCTEOSA-N 0 0 327.815 4.595 50 0 EJAARN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccccn1 ZINC000002646055 564151810 /nfs/dbraw/zinc/15/18/10/564151810.db2.gz FOEJLIYMUMBREI-UHFFFAOYSA-N 0 0 331.400 4.611 50 0 EJAARN CC(=O)Nc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000002650934 564151890 /nfs/dbraw/zinc/15/18/90/564151890.db2.gz LFHUBVJNNXNCOX-UHFFFAOYSA-N 0 0 346.386 4.690 50 0 EJAARN O=C(Cc1csc(-c2ccccc2)n1)N[C@H]1CCCc2ccccc21 ZINC000002655839 564151973 /nfs/dbraw/zinc/15/19/73/564151973.db2.gz SPBQIWSVBPAIMU-IBGZPJMESA-N 0 0 348.471 4.546 50 0 EJAARN CC(=O)Nc1ccc(SCC(=O)c2cc(C)c(C)cc2C)cc1 ZINC000002660142 564152035 /nfs/dbraw/zinc/15/20/35/564152035.db2.gz YDLFOZWMDLSBJJ-UHFFFAOYSA-N 0 0 327.449 4.545 50 0 EJAARN Clc1ccc(Oc2ccc(Nc3ncnc4nc[nH]c43)cc2)cc1 ZINC000002719595 564152194 /nfs/dbraw/zinc/15/21/94/564152194.db2.gz DCQNTERJAOAFCF-UHFFFAOYSA-N 0 0 337.770 4.542 50 0 EJAARN CC[C@H](C)c1ccc([C@H](CC)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1 ZINC000002733154 564152313 /nfs/dbraw/zinc/15/23/13/564152313.db2.gz WKKACERQTVEMHY-FZDIXFNVSA-N 0 0 327.468 4.826 50 0 EJAARN Cc1ccc(OCc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2)cc1C ZINC000002743768 564152406 /nfs/dbraw/zinc/15/24/06/564152406.db2.gz WKMPCYLZAQCLHR-MRXNPFEDSA-N 0 0 337.463 4.755 50 0 EJAARN O=C(Nc1cccc(Cl)c1)[C@@H]1[C@H](c2ccccc2)C1(Cl)Cl ZINC000002907038 564152995 /nfs/dbraw/zinc/15/29/95/564152995.db2.gz YYQHBZPYYSOYHE-KBPBESRZSA-N 0 0 340.637 4.866 50 0 EJAARN COc1ccccc1[C@H]1C[C@@H](c2ccc(C(C)C)cc2)Nc2ncnn21 ZINC000002919423 564153029 /nfs/dbraw/zinc/15/30/29/564153029.db2.gz DNVYOFNGJIIWIQ-RBUKOAKNSA-N 0 0 348.450 4.556 50 0 EJAARN Cc1ccc([C@@H]2CC(c3cccnc3)=Nc3nc4ccccc4n32)cc1 ZINC000002914874 564153031 /nfs/dbraw/zinc/15/30/31/564153031.db2.gz DVOXPFWFPRDRAF-NRFANRHFSA-N 0 0 338.414 4.796 50 0 EJAARN Cc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1C ZINC000002919581 564153043 /nfs/dbraw/zinc/15/30/43/564153043.db2.gz NIKLQXANSVAIHM-QZTJIDSGSA-N 0 0 338.842 4.695 50 0 EJAARN Cc1ccc(NC(=O)NCCSc2ccc(Cl)cc2)cc1C ZINC000002933930 564153104 /nfs/dbraw/zinc/15/31/04/564153104.db2.gz NAENPZNYVNQGNF-UHFFFAOYSA-N 0 0 334.872 4.871 50 0 EJAARN Cc1ccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1C ZINC000057412179 564154005 /nfs/dbraw/zinc/15/40/05/564154005.db2.gz JKTBFDMIQBITBB-UHFFFAOYSA-N 0 0 325.799 4.599 50 0 EJAARN c1cc(-c2noc(CNC(c3ccccc3)c3ccccc3)n2)cs1 ZINC000029975015 564155070 /nfs/dbraw/zinc/15/50/70/564155070.db2.gz OMHSBKUAEQLQKK-UHFFFAOYSA-N 0 0 347.443 4.677 50 0 EJAARN O[C@H](c1c[nH]cc1-c1ccc(Br)cc1)c1ccccc1 ZINC000003105606 564155189 /nfs/dbraw/zinc/15/51/89/564155189.db2.gz AZIRDFULJUAZDP-KRWDZBQOSA-N 0 0 328.209 4.526 50 0 EJAARN CCO[C@@H]1c2c(c(NC(=O)Nc3ccccc3)ccc2C)OC1(C)C ZINC000003131361 564155376 /nfs/dbraw/zinc/15/53/76/564155376.db2.gz GXYNSKCXSWFQIF-GOSISDBHSA-N 0 0 340.423 4.888 50 0 EJAARN COc1ccc(CC(=O)N(C2CCCCC2)C2CCCCC2)cc1 ZINC000003193279 564155823 /nfs/dbraw/zinc/15/58/23/564155823.db2.gz VKPDNMRAFJQUAL-UHFFFAOYSA-N 0 0 329.484 4.732 50 0 EJAARN CC(Cl)(Cl)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000003203640 564155932 /nfs/dbraw/zinc/15/59/32/564155932.db2.gz HEAQRNYFGAGUHM-UHFFFAOYSA-N 0 0 335.643 4.596 50 0 EJAARN O=c1c2c(-c3ccc(Cl)cc3)csc2nc2n1CCCCC2 ZINC000003210685 564155982 /nfs/dbraw/zinc/15/59/82/564155982.db2.gz PPVBFXCITDPYIM-UHFFFAOYSA-N 0 0 330.840 4.505 50 0 EJAARN Cc1cc2ncn(-c3ncnc4sc5c(c43)CC[C@H](C)C5)c2cc1C ZINC000003270692 564156841 /nfs/dbraw/zinc/15/68/41/564156841.db2.gz UCZRDCLZOKSCSG-NSHDSACASA-N 0 0 348.475 4.772 50 0 EJAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc(SC(F)F)cc1 ZINC000003294146 564157132 /nfs/dbraw/zinc/15/71/32/564157132.db2.gz PRTIBHBKPFBRPF-UHFFFAOYSA-N 0 0 327.783 4.836 50 0 EJAARN O=C(Nc1ccc2c(c1)OCCO2)c1cccc(Oc2ccccc2)c1 ZINC000003348319 564157555 /nfs/dbraw/zinc/15/75/55/564157555.db2.gz XGWFKIHWLNFTIH-UHFFFAOYSA-N 0 0 347.370 4.502 50 0 EJAARN Cc1ccc(C)c(C[S@@](=O)Cc2cccc(C(F)(F)F)c2)c1 ZINC000058130901 564157723 /nfs/dbraw/zinc/15/77/23/564157723.db2.gz QGHMQMCBDKGGBG-JOCHJYFZSA-N 0 0 326.383 4.771 50 0 EJAARN Cc1ccc(NC(=O)[C@@H](C)Sc2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000003501059 564158520 /nfs/dbraw/zinc/15/85/20/564158520.db2.gz YKURYWRVDBRMPS-LLVKDONJSA-N 0 0 345.855 4.644 50 0 EJAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1ccccc1F ZINC000003517004 564158634 /nfs/dbraw/zinc/15/86/34/564158634.db2.gz LZNZJTQWILCOEB-UHFFFAOYSA-N 0 0 348.171 4.895 50 0 EJAARN Cc1ccc(NC(=O)Cc2c(F)cccc2Cl)c2cccnc12 ZINC000031092058 564158790 /nfs/dbraw/zinc/15/87/90/564158790.db2.gz JDCMYUWTIIQWAL-UHFFFAOYSA-N 0 0 328.774 4.517 50 0 EJAARN COc1cc(C(=O)Nc2ccc(C)c(Cl)c2)ccc1OC(F)F ZINC000003548912 564158890 /nfs/dbraw/zinc/15/88/90/564158890.db2.gz JRTKCLHTWGEMID-UHFFFAOYSA-N 0 0 341.741 4.511 50 0 EJAARN Cc1ccc(C(=O)Oc2c(C)cc(Br)cc2Cl)cc1 ZINC000003556318 564158947 /nfs/dbraw/zinc/15/89/47/564158947.db2.gz STWFSZXQRVGKDP-UHFFFAOYSA-N 0 0 339.616 4.939 50 0 EJAARN O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C\C=C\c1ccccc1 ZINC000003898418 564159638 /nfs/dbraw/zinc/15/96/38/564159638.db2.gz SSBHJLUOTOYAJD-QSJINSDNSA-N 0 0 344.197 4.894 50 0 EJAARN COc1ccc(/C=C/c2nccc3c4ccccc4[nH]c32)cc1OC ZINC000004000182 564159917 /nfs/dbraw/zinc/15/99/17/564159917.db2.gz AUZVRTMJGUYBFC-VQHVLOKHSA-N 0 0 330.387 4.904 50 0 biogenic EJAARN COC(=O)c1ccc([C@@H](C)SC2=Nc3ccccc3CS2)o1 ZINC000031847935 564160031 /nfs/dbraw/zinc/16/00/31/564160031.db2.gz UJNABEZRZFUPKO-SNVBAGLBSA-N 0 0 333.434 4.795 50 0 EJAARN C[C@@H]1c2ccsc2CCN1C(=O)c1ccc(OC2CCCC2)cc1 ZINC000031897169 564160150 /nfs/dbraw/zinc/16/01/50/564160150.db2.gz GYXXTFMZJKVAQL-CQSZACIVSA-N 0 0 341.476 4.829 50 0 EJAARN CC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004073876 564160345 /nfs/dbraw/zinc/16/03/45/564160345.db2.gz XXSFRYVGIQYVIQ-RDTLVLTASA-N 0 0 330.512 4.761 50 0 biogenic EJAARN O=C(NC(=S)Nc1cccc2ccccc21)c1cccc(Cl)c1 ZINC000004089268 564160470 /nfs/dbraw/zinc/16/04/70/564160470.db2.gz DGAARZZSPKHWTI-UHFFFAOYSA-N 0 0 340.835 4.620 50 0 EJAARN CC[C@@](C)(CCN(C(C)=O)[C@@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000032069925 564160593 /nfs/dbraw/zinc/16/05/93/564160593.db2.gz ZSQRPKOQHBLCNT-CTNGQTDRSA-N 0 0 331.500 4.551 50 0 EJAARN O=C(NCCC1(Cc2ccc(F)cc2)CCCC1)c1cccs1 ZINC000032103002 564160808 /nfs/dbraw/zinc/16/08/08/564160808.db2.gz WZWGLOMGTKPUSK-UHFFFAOYSA-N 0 0 331.456 4.810 50 0 EJAARN C[C@@H]1CCc2nc(NC(=O)c3cc(Cl)sc3Cl)sc2C1 ZINC000004173443 564160993 /nfs/dbraw/zinc/16/09/93/564160993.db2.gz GXJVAXUYFFUNOC-ZCFIWIBFSA-N 0 0 347.292 4.889 50 0 EJAARN O=C(Cc1ccccc1)Nc1nc2c(cc3c4c(cccc24)CC3)s1 ZINC000004176261 564161026 /nfs/dbraw/zinc/16/10/26/564161026.db2.gz BSQWXSOWTBUFEC-UHFFFAOYSA-N 0 0 344.439 4.729 50 0 EJAARN COc1ccc(-n2c(SCc3ccccc3)nnc2C(C)C)cc1 ZINC000004186999 564161113 /nfs/dbraw/zinc/16/11/13/564161113.db2.gz QTKHBORRFUEYHY-UHFFFAOYSA-N 0 0 339.464 4.692 50 0 EJAARN Clc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2)cc1 ZINC000059378202 564161176 /nfs/dbraw/zinc/16/11/76/564161176.db2.gz WXZZZWQTTHOGFE-OAHLLOKOSA-N 0 0 335.632 4.541 50 0 EJAARN Cc1noc(C)c1CC(=O)Nc1ccccc1Oc1ccc(C)cc1 ZINC000007989356 564161949 /nfs/dbraw/zinc/16/19/49/564161949.db2.gz XIFNSLLCRBYMHU-UHFFFAOYSA-N 0 0 336.391 4.573 50 0 EJAARN O=C(c1ccccn1)N(c1nc2ccccc2s1)c1ccccc1 ZINC000007989716 564161969 /nfs/dbraw/zinc/16/19/69/564161969.db2.gz ZZHITTGEGZPSOW-UHFFFAOYSA-N 0 0 331.400 4.670 50 0 EJAARN Cc1ccc2nc(-c3ccccc3)c(NC(=O)[C@H]3CC=CCC3)n2c1 ZINC000007990633 564162014 /nfs/dbraw/zinc/16/20/14/564162014.db2.gz CMQZCCTVJHEXFW-KRWDZBQOSA-N 0 0 331.419 4.605 50 0 EJAARN Cc1cccc(NC(=O)Cc2csc(-c3ccsc3)n2)c1C ZINC000008007267 564162097 /nfs/dbraw/zinc/16/20/97/564162097.db2.gz LIRMLXZXNXRGJA-UHFFFAOYSA-N 0 0 328.462 4.670 50 0 EJAARN O=C(Cc1csc(-c2ccsc2)n1)Nc1cccc(Cl)c1 ZINC000008007521 564162100 /nfs/dbraw/zinc/16/21/00/564162100.db2.gz HZVRDDHZXSIIAC-UHFFFAOYSA-N 0 0 334.853 4.706 50 0 EJAARN CC(C)[C@@H]([NH2+]C1CCC(C(=O)[O-])CC1)c1ccc(C(C)(C)C)cc1 ZINC000263490478 564162240 /nfs/dbraw/zinc/16/22/40/564162240.db2.gz QYWGEAQESOFCML-NKELODKYSA-N 0 0 331.500 4.914 50 0 EJAARN COc1ccc2cc([C@H](C)C(=O)NCc3ccccc3C)ccc2c1 ZINC000008052883 564162420 /nfs/dbraw/zinc/16/24/20/564162420.db2.gz VEYKIYUDHWGMIS-INIZCTEOSA-N 0 0 333.431 4.577 50 0 EJAARN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NCc1ccccc1 ZINC000008060380 564162436 /nfs/dbraw/zinc/16/24/36/564162436.db2.gz LBUCQHYBHPKDJH-UHFFFAOYSA-N 0 0 342.851 4.702 50 0 EJAARN O=C(CC1CCCC1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000008086349 564162612 /nfs/dbraw/zinc/16/26/12/564162612.db2.gz NPFBUZTWMDNIRK-UHFFFAOYSA-N 0 0 328.481 4.583 50 0 EJAARN O=C(Nc1ccc(F)c(F)c1)c1ccc(COc2ccccc2)cc1 ZINC000008129340 564162936 /nfs/dbraw/zinc/16/29/36/564162936.db2.gz WXHLTOHNZYATKL-UHFFFAOYSA-N 0 0 339.341 4.796 50 0 EJAARN CSc1ccccc1NC(=O)CSCc1ccccc1Cl ZINC000008169652 564163334 /nfs/dbraw/zinc/16/33/34/564163334.db2.gz LDAWZQYDWBABHG-UHFFFAOYSA-N 0 0 337.897 4.934 50 0 EJAARN COc1ccc(NC(=O)[C@@H](C)SCc2cccc(Cl)c2)cc1 ZINC000008185054 564163408 /nfs/dbraw/zinc/16/34/08/564163408.db2.gz PZQBCHAHKIUNPN-GFCCVEGCSA-N 0 0 335.856 4.609 50 0 EJAARN CCOc1ccc(Cl)cc1-c1nc2cc(Cl)ccc2c(=O)o1 ZINC000008186310 564163416 /nfs/dbraw/zinc/16/34/16/564163416.db2.gz FOSURPLJFBGTNT-UHFFFAOYSA-N 0 0 336.174 4.561 50 0 EJAARN CCOc1ccc(C(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1OC ZINC000008189776 564163446 /nfs/dbraw/zinc/16/34/46/564163446.db2.gz RVRJCVNZQMCZEF-HNNXBMFYSA-N 0 0 349.430 4.738 50 0 EJAARN Cc1cc(-c2csc(NC3CCCC3)n2)c(C)n1C[C@@H]1CCCO1 ZINC000008192283 564163477 /nfs/dbraw/zinc/16/34/77/564163477.db2.gz VVHQRSCDGUTUJC-INIZCTEOSA-N 0 0 345.512 4.762 50 0 EJAARN Cc1cc(Cl)ccc1OCC(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000008237859 564163769 /nfs/dbraw/zinc/16/37/69/564163769.db2.gz YPYDGZKLZDQFCM-ZDUSSCGKSA-N 0 0 343.810 4.651 50 0 EJAARN O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1cc2ccccc2o1 ZINC000008263129 564163856 /nfs/dbraw/zinc/16/38/56/564163856.db2.gz ZMGFLPZLPXXQBN-GOSISDBHSA-N 0 0 325.795 4.967 50 0 EJAARN Clc1cccc(-c2noc(CSc3nc4ccccc4o3)n2)c1 ZINC000008290238 564164053 /nfs/dbraw/zinc/16/40/53/564164053.db2.gz NYGSIGCTLIWPLZ-UHFFFAOYSA-N 0 0 343.795 4.824 50 0 EJAARN COc1ccc(-c2nc(-c3ccc4c(c3)OCCCO4)cs2)cc1 ZINC000008296888 564164061 /nfs/dbraw/zinc/16/40/61/564164061.db2.gz ZWQJYSRXTBYNML-UHFFFAOYSA-N 0 0 339.416 4.647 50 0 EJAARN C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000263571879 564164379 /nfs/dbraw/zinc/16/43/79/564164379.db2.gz KAPAFTKZXYALRS-ZIAGYGMSSA-N 0 0 331.843 4.662 50 0 EJAARN C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000263571878 564164383 /nfs/dbraw/zinc/16/43/83/564164383.db2.gz KAPAFTKZXYALRS-UONOGXRCSA-N 0 0 331.843 4.662 50 0 EJAARN COc1ccc2cc(CN(C)C(=O)c3cccc(Cl)c3)ccc2c1 ZINC000008324938 564164403 /nfs/dbraw/zinc/16/44/03/564164403.db2.gz QSTGGAKVVXQKQZ-UHFFFAOYSA-N 0 0 339.822 4.774 50 0 EJAARN Cc1cc(CSc2nnc(-c3cc4c(s3)CC[C@H](C)C4)o2)on1 ZINC000008325826 564164430 /nfs/dbraw/zinc/16/44/30/564164430.db2.gz KZURLVMDRQDVDB-VIFPVBQESA-N 0 0 347.465 4.512 50 0 EJAARN Cc1csc(-c2ccc(Oc3ncnc4sccc43)cc2)n1 ZINC000008327087 564164448 /nfs/dbraw/zinc/16/44/48/564164448.db2.gz IDJHUIOIHSRKDS-UHFFFAOYSA-N 0 0 325.418 4.916 50 0 EJAARN O=C(NCCSc1ccccc1)c1cc(C2CC2)nc2ccccc21 ZINC000008361260 564164749 /nfs/dbraw/zinc/16/47/49/564164749.db2.gz DWXLDCZZGCFLQO-UHFFFAOYSA-N 0 0 348.471 4.634 50 0 EJAARN FC(F)(F)c1nc2ccccc2c(Oc2ccc3ccncc3c2)n1 ZINC000008389438 564164873 /nfs/dbraw/zinc/16/48/73/564164873.db2.gz AASLGNURXOUWLY-UHFFFAOYSA-N 0 0 341.292 4.989 50 0 EJAARN CC(C)c1nc2cc(C(F)(F)F)ccc2n(Cc2ccccc2)c1=O ZINC000008429009 564165273 /nfs/dbraw/zinc/16/52/73/564165273.db2.gz HVQLQRFSWIXCGF-UHFFFAOYSA-N 0 0 346.352 4.587 50 0 EJAARN O=c1[nH]c(SCc2cc(F)cc(F)c2)nc2c3ccccc3oc21 ZINC000067259873 564165475 /nfs/dbraw/zinc/16/54/75/564165475.db2.gz JINAFVGBFSARRL-UHFFFAOYSA-N 0 0 344.342 4.652 50 0 EJAARN O=C(Nc1ccccc1-c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000008519099 564165564 /nfs/dbraw/zinc/16/55/64/564165564.db2.gz JALNQANTSQFIGB-UHFFFAOYSA-N 0 0 341.370 4.656 50 0 EJAARN COc1ccc([C@@H](CC(C)C)NC(=O)c2ccccc2Cl)cc1 ZINC000038756416 564165646 /nfs/dbraw/zinc/16/56/46/564165646.db2.gz QBNWWNYKVSEWEQ-GOSISDBHSA-N 0 0 331.843 4.866 50 0 EJAARN CCc1ccc(Nc2nnc(-n3nc(C)cc3C)c3ccccc32)cc1 ZINC000008594453 564165963 /nfs/dbraw/zinc/16/59/63/564165963.db2.gz XWXMNHSCFSZKQQ-UHFFFAOYSA-N 0 0 343.434 4.738 50 0 EJAARN Cc1ccc(OC(=O)c2cc(-c3ccc(Cl)cc3)on2)c(C)c1 ZINC000008673987 564166310 /nfs/dbraw/zinc/16/63/10/564166310.db2.gz XHYGTZSCWKFQMZ-UHFFFAOYSA-N 0 0 327.767 4.831 50 0 EJAARN C[C@@H]1CCCC[C@H]1NC(=S)Nc1ccc(SC(F)F)cc1 ZINC000008690049 564166386 /nfs/dbraw/zinc/16/63/86/564166386.db2.gz ORCDWZCHRCYHIM-ZWNOBZJWSA-N 0 0 330.469 4.866 50 0 EJAARN CC(C)Nc1nnc(SCc2ccccc2C(F)(F)F)s1 ZINC000008708553 564166566 /nfs/dbraw/zinc/16/65/66/564166566.db2.gz UBBYOUGIQQHUEG-UHFFFAOYSA-N 0 0 333.404 4.670 50 0 EJAARN CC[C@H](C)c1ccc(OCCCn2c(CO)nc3ccccc32)cc1 ZINC000008710272 564166620 /nfs/dbraw/zinc/16/66/20/564166620.db2.gz DCTHJYMQWIVMAD-INIZCTEOSA-N 0 0 338.451 4.511 50 0 EJAARN O=C(Nc1ccccc1Cl)c1occc1COc1ccccc1 ZINC000008735250 564167149 /nfs/dbraw/zinc/16/71/49/564167149.db2.gz FEOKYNNTRQGBCM-UHFFFAOYSA-N 0 0 327.767 4.764 50 0 EJAARN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccsc2)cc1 ZINC000008747495 564167249 /nfs/dbraw/zinc/16/72/49/564167249.db2.gz RLHVQGKZTGSGDW-SFHVURJKSA-N 0 0 336.416 4.528 50 0 EJAARN Cc1ccc([C@H]2c3c(N)ncnc3Oc3ccc4ccccc4c32)cc1 ZINC000039931005 564167713 /nfs/dbraw/zinc/16/77/13/564167713.db2.gz ZPEPOGCGPCTNOC-GOSISDBHSA-N 0 0 339.398 4.806 50 0 EJAARN Clc1ccc(CN2CCCn3c4ccccc4nc32)c(Cl)c1 ZINC000039932923 564167748 /nfs/dbraw/zinc/16/77/48/564167748.db2.gz VCUUNCGSNUINTB-UHFFFAOYSA-N 0 0 332.234 4.753 50 0 EJAARN CCc1nnsc1C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 ZINC000039980561 564167782 /nfs/dbraw/zinc/16/77/82/564167782.db2.gz QKGWSISLPVKQHA-UHFFFAOYSA-N 0 0 349.415 4.766 50 0 EJAARN CCC[C@H](NC(=O)CCCC(=O)c1ccc(F)cc1)c1ccccc1 ZINC000040115503 564168178 /nfs/dbraw/zinc/16/81/78/564168178.db2.gz OSQVQYKBAZIEEY-IBGZPJMESA-N 0 0 341.426 4.836 50 0 EJAARN O=C(Nc1ccc(-n2cccn2)c(F)c1)c1occc1-c1ccccc1 ZINC000040150950 564168373 /nfs/dbraw/zinc/16/83/73/564168373.db2.gz GFAQCRHVGUKSDC-UHFFFAOYSA-N 0 0 347.349 4.524 50 0 EJAARN C[C@@H](N[C@@H](C)c1cccc(Cl)c1)c1nnc(-c2ccccc2)o1 ZINC000069417416 564169281 /nfs/dbraw/zinc/16/92/81/564169281.db2.gz ADFGUOZZJNYOHB-QWHCGFSZSA-N 0 0 327.815 4.802 50 0 EJAARN COC(=O)c1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 ZINC000069419058 564169369 /nfs/dbraw/zinc/16/93/69/564169369.db2.gz JLQZGNQEKHVTEQ-UHFFFAOYSA-N 0 0 345.354 4.625 50 0 EJAARN O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@H](C(F)(F)F)C1 ZINC000069420563 564169403 /nfs/dbraw/zinc/16/94/03/564169403.db2.gz WQOQPUAKBLVFNA-VIFPVBQESA-N 0 0 340.267 4.512 50 0 EJAARN Cc1cccc(NCC(=O)Nc2ccccc2Cc2ccccc2)c1 ZINC000069449323 564169573 /nfs/dbraw/zinc/16/95/73/564169573.db2.gz XLMRANOXUOWXPF-UHFFFAOYSA-N 0 0 330.431 4.636 50 0 EJAARN Cc1ccccc1NC(=O)N(C)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000069457284 564169668 /nfs/dbraw/zinc/16/96/68/564169668.db2.gz XRELWSMNDREYPO-HXUWFJFHSA-N 0 0 349.409 4.782 50 0 EJAARN Cc1cccc(C)c1NC(=O)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000069492752 564169947 /nfs/dbraw/zinc/16/99/47/564169947.db2.gz RCXFORZGERXGSW-KRWDZBQOSA-N 0 0 344.842 4.562 50 0 EJAARN CC[C@H](C)Sc1ccc(NC(=O)NCc2cc(C)on2)c(C)c1 ZINC000069527725 564170189 /nfs/dbraw/zinc/17/01/89/564170189.db2.gz ZYJMEIUWKZINGO-ZDUSSCGKSA-N 0 0 333.457 4.504 50 0 EJAARN Cc1oc(-c2ccsc2)nc1CC(=O)N(C)[C@H](C)c1cccs1 ZINC000069561311 564170446 /nfs/dbraw/zinc/17/04/46/564170446.db2.gz WESGMSBPSHIJCE-LLVKDONJSA-N 0 0 346.477 4.535 50 0 EJAARN CCC(=O)N1CCC[C@H](C(=O)Nc2c(C(C)C)cccc2C(C)C)C1 ZINC000040554124 564170762 /nfs/dbraw/zinc/17/07/62/564170762.db2.gz OLAILSDRRWRSIQ-INIZCTEOSA-N 0 0 344.499 4.521 50 0 EJAARN CCCN(CCC)C(=O)c1oc2ccccc2c1NC(=O)CC(C)C ZINC000009251310 564171899 /nfs/dbraw/zinc/17/18/99/564171899.db2.gz OXQGZFSTCKLBIA-UHFFFAOYSA-N 0 0 344.455 4.680 50 0 EJAARN O=C(NCc1cccc(O)c1)c1cc2sc3ccccc3c2s1 ZINC000070017480 564173309 /nfs/dbraw/zinc/17/33/09/564173309.db2.gz WWFRSDQMQSGMLM-UHFFFAOYSA-N 0 0 339.441 4.752 50 0 EJAARN Cc1cccc2c1N[C@H](c1ccc(-c3cccs3)cc1F)NC2=O ZINC000070019393 564173329 /nfs/dbraw/zinc/17/33/29/564173329.db2.gz IGFCZCNBCJLMSF-SFHVURJKSA-N 0 0 338.407 4.717 50 0 EJAARN CC[C@@H](C)c1noc([C@@H]2CCCCN2C(=O)CCC2CCCC2)n1 ZINC000041123379 564173394 /nfs/dbraw/zinc/17/33/94/564173394.db2.gz ZAJQCHGHJDKMRI-ZBFHGGJFSA-N 0 0 333.476 4.607 50 0 EJAARN Cc1ccc(NC(=O)COc2ccc(Cl)c(C)c2)c2cccnc12 ZINC000041156791 564173608 /nfs/dbraw/zinc/17/36/08/564173608.db2.gz VHTIJAZNTVHDSL-UHFFFAOYSA-N 0 0 340.810 4.523 50 0 EJAARN Cc1cccc(-c2ocnc2C(=O)Nc2ccc(F)cc2Cl)c1 ZINC000009527358 564174034 /nfs/dbraw/zinc/17/40/34/564174034.db2.gz YCIRPNLASKLTLO-UHFFFAOYSA-N 0 0 330.746 4.695 50 0 EJAARN CN(C(=O)Cc1c(F)cccc1Cl)[C@@H]1CCCc2ccccc21 ZINC000009544723 564174130 /nfs/dbraw/zinc/17/41/30/564174130.db2.gz RGLBAHPMSGVFCN-GOSISDBHSA-N 0 0 331.818 4.558 50 0 EJAARN CCc1ccc(-n2nc(C)c3c2NC(=O)C[C@H]3c2cccs2)cc1 ZINC000009576208 564174153 /nfs/dbraw/zinc/17/41/53/564174153.db2.gz YTTMJFUXKCZELI-HNNXBMFYSA-N 0 0 337.448 4.928 50 0 EJAARN CCCCC[C@H](C)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 ZINC000009575704 564174164 /nfs/dbraw/zinc/17/41/64/564174164.db2.gz ZFTSCINIJYCZHL-AWEZNQCLSA-N 0 0 341.480 4.786 50 0 EJAARN O=C(c1cccs1)N1N=C(c2ccco2)C[C@H]1c1ccc(Cl)o1 ZINC000009579587 564174203 /nfs/dbraw/zinc/17/42/03/564174203.db2.gz LLELVOVALAAKGU-NSHDSACASA-N 0 0 346.795 4.579 50 0 EJAARN CC(C)n1ncc2c1NC(=O)C[C@@H]2c1cc(C(F)(F)F)ccc1F ZINC000071281184 564174844 /nfs/dbraw/zinc/17/48/44/564174844.db2.gz SXAFBGXKZDLWIO-SNVBAGLBSA-N 0 0 341.308 4.746 50 0 EJAARN O=C(Nc1ccc2[nH]c(-c3cccnc3)nc2c1)c1ccccc1Cl ZINC000071280773 564174878 /nfs/dbraw/zinc/17/48/78/564174878.db2.gz CRJHHUUXGWSNMR-UHFFFAOYSA-N 0 0 348.793 4.531 50 0 EJAARN COc1ccccc1[C@@H](C)NC(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000010275112 564175208 /nfs/dbraw/zinc/17/52/08/564175208.db2.gz QVVLXKDZMQBKNR-ZIAGYGMSSA-N 0 0 338.407 4.563 50 0 EJAARN Cc1ccccc1-c1nnc(-c2ccc(C(=O)OC[C@@H]3C[C@H]3C)cc2)o1 ZINC000071827953 564175674 /nfs/dbraw/zinc/17/56/74/564175674.db2.gz XTDBJNVREHZWHC-PBHICJAKSA-N 0 0 348.402 4.525 50 0 EJAARN c1cc([C@@H]2CCCCO2)oc1CN1CCc2[nH]c3ccccc3c2C1 ZINC000077300522 564176670 /nfs/dbraw/zinc/17/66/70/564176670.db2.gz RWSGQCXTWFCRFO-FQEVSTJZSA-N 0 0 336.435 4.561 50 0 EJAARN COc1ccc(/C=C2/CCc3c4cc(C)ccc4[nH]c3C2=O)cc1OC ZINC000033317340 564177472 /nfs/dbraw/zinc/17/74/72/564177472.db2.gz IPSQGMOHQZVCFN-PTNGSMBKSA-N 0 0 347.414 4.706 50 0 EJAARN CCSC1=N/C(=C\c2ccc(OC3CCCC3)cc2)C(=O)S1 ZINC000034913608 564177527 /nfs/dbraw/zinc/17/75/27/564177527.db2.gz PVTIBRUTAWQCTL-PTNGSMBKSA-N 0 0 333.478 4.731 50 0 EJAARN C=C[C@](C)(C[C@@H](OC)[C@@]1(C)C2=C(CCC2=O)CC[C@@H]1C)C(=O)CC ZINC000043762389 564177648 /nfs/dbraw/zinc/17/76/48/564177648.db2.gz ANCHGALOVXDQRM-XVPDYNCKSA-N 0 0 332.484 4.659 50 0 EJAARN COc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)cc(OC)c1 ZINC000015836712 568420139 /nfs/dbraw/zinc/42/01/39/568420139.db2.gz SLPFUYBSNWLTIB-LJQANCHMSA-N 0 0 331.843 4.694 50 0 EJAARN COc1cc(C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)cc(OC)c1 ZINC000015836714 568420171 /nfs/dbraw/zinc/42/01/71/568420171.db2.gz SLPFUYBSNWLTIB-IBGZPJMESA-N 0 0 331.843 4.694 50 0 EJAARN COc1ccc([C@H](C)NCc2csc(-c3ccsc3)n2)cc1F ZINC000050510221 214058562 /nfs/dbraw/zinc/05/85/62/214058562.db2.gz BIJMVYFVTJRERD-NSHDSACASA-N 0 0 348.468 4.870 50 0 EJAARN Cc1c(F)cccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000051354547 214089687 /nfs/dbraw/zinc/08/96/87/214089687.db2.gz IKAINBYRUYPWRT-UHFFFAOYSA-N 0 0 328.265 4.677 50 0 EJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cc(F)ccc1F ZINC000051354435 214089865 /nfs/dbraw/zinc/08/98/65/214089865.db2.gz KTVOCOVHMMIGPG-UHFFFAOYSA-N 0 0 332.228 4.507 50 0 EJAARN CCc1cccc(C)c1Nc1c(-c2ccccc2O)nc2cnccn21 ZINC000004733464 210263505 /nfs/dbraw/zinc/26/35/05/210263505.db2.gz BOGJBWPYHUJDQL-UHFFFAOYSA-N 0 0 344.418 4.716 50 0 EJAARN CCN(CC)c1nc(Cc2ccccc2)nc2cc(Cl)ccc21 ZINC000006774384 201697095 /nfs/dbraw/zinc/69/70/95/201697095.db2.gz PYYGCQFBEANVRA-UHFFFAOYSA-N 0 0 325.843 4.720 50 0 EJAARN Cc1ccc([C@@H]2c3ccsc3CCN2C(=O)c2ccccc2)cc1 ZINC000004711796 210256541 /nfs/dbraw/zinc/25/65/41/210256541.db2.gz FYJIFOYWIVBUFC-HXUWFJFHSA-N 0 0 333.456 4.844 50 0 EJAARN Cc1ccc([C@H]2c3ccsc3CCN2C(=O)c2ccccc2)cc1 ZINC000004711798 210255814 /nfs/dbraw/zinc/25/58/14/210255814.db2.gz FYJIFOYWIVBUFC-FQEVSTJZSA-N 0 0 333.456 4.844 50 0 EJAARN Fc1ccc(-c2nc3nc(-c4ccccc4)oc3c(Cl)n2)cc1 ZINC000053993891 214208971 /nfs/dbraw/zinc/20/89/71/214208971.db2.gz XCBYXMSXEQSARR-UHFFFAOYSA-N 0 0 325.730 4.744 50 0 EJAARN CC(C)(C)c1cc(C(=O)CN2CCCCC2)cc(C(C)(C)C)c1O ZINC000053992791 214209442 /nfs/dbraw/zinc/20/94/42/214209442.db2.gz FEWMDOGJRBBUEL-UHFFFAOYSA-N 0 0 331.500 4.656 50 0 EJAARN CCOc1cc(C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OC ZINC000004705230 210254724 /nfs/dbraw/zinc/25/47/24/210254724.db2.gz GMGINRNIEGJCGB-UHFFFAOYSA-N 0 0 333.815 4.616 50 0 EJAARN COc1cc(C)ccc1OCCCOc1cccc(C(F)(F)F)c1 ZINC000004701790 210253648 /nfs/dbraw/zinc/25/36/48/210253648.db2.gz NLFBIHOGYLOGDW-UHFFFAOYSA-N 0 0 340.341 4.870 50 0 EJAARN Cc1cccc(Oc2ccc3[nH]c(C(=O)NCc4ccco4)cc3c2)c1 ZINC000004702631 210253545 /nfs/dbraw/zinc/25/35/45/210253545.db2.gz UEEBWHBBJRFBNP-UHFFFAOYSA-N 0 0 346.386 4.792 50 0 EJAARN CC(C)(C)C[C@@H](Nc1nccc(-c2cccnc2)n1)c1cccnc1 ZINC000097729569 219051653 /nfs/dbraw/zinc/05/16/53/219051653.db2.gz RYZBWJXWRRCNAQ-GOSISDBHSA-N 0 0 333.439 4.523 50 0 EJAARN O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(-c2ccccc2)cc1 ZINC000004698670 210251284 /nfs/dbraw/zinc/25/12/84/210251284.db2.gz PIIJQPFFBZAUTB-UHFFFAOYSA-N 0 0 331.459 4.908 50 0 EJAARN Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1Cc1ccco1 ZINC000004696043 210250125 /nfs/dbraw/zinc/25/01/25/210250125.db2.gz NXWDKONGXXUYJF-NRFANRHFSA-N 0 0 342.398 4.815 50 0 EJAARN CCC(CC)n1nc(C)cc1NC(=O)Cc1ccc(F)cc1Cl ZINC000055182991 214284242 /nfs/dbraw/zinc/28/42/42/214284242.db2.gz 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SPXWJZRAWKYSIG-UHFFFAOYSA-N 0 0 345.398 4.527 50 0 EJAARN CCc1nc(C)c(C(=O)Nc2scnc2-c2ccc(F)cc2)s1 ZINC000065625346 214987361 /nfs/dbraw/zinc/98/73/61/214987361.db2.gz CIBIGQQRFYZQCH-UHFFFAOYSA-N 0 0 347.440 4.529 50 0 EJAARN Cc1ccc(O[C@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)cc1 ZINC000013018909 201882114 /nfs/dbraw/zinc/88/21/14/201882114.db2.gz PASRMZPSOAHIPC-IAGOWNOFSA-N 0 0 333.431 4.793 50 0 EJAARN S=C(NCCC1=CCCCC1)Nc1ccc(Br)cc1 ZINC000004065272 210111594 /nfs/dbraw/zinc/11/15/94/210111594.db2.gz BSHUKBKUYXCMHK-UHFFFAOYSA-N 0 0 339.302 4.626 50 0 EJAARN O=c1oc(Nc2ccc(Cl)cc2Cl)nc2ccc(Cl)cc21 ZINC000004059917 210110864 /nfs/dbraw/zinc/11/08/64/210110864.db2.gz ATRBKHQPSDTSCZ-UHFFFAOYSA-N 0 0 341.581 4.892 50 0 EJAARN CCC(=O)NCc1c(Cl)cccc1-n1cc(C)c2ccccc21 ZINC000004054848 210108755 /nfs/dbraw/zinc/10/87/55/210108755.db2.gz QPHRRTUGRQLCTR-UHFFFAOYSA-N 0 0 326.827 4.619 50 0 EJAARN Cc1cccc(C2(C(=O)N[C@H](C)c3ccccc3C(F)(F)F)CC2)c1 ZINC000065874669 214998624 /nfs/dbraw/zinc/99/86/24/214998624.db2.gz QPNAMZSHTGBKFC-CQSZACIVSA-N 0 0 347.380 4.923 50 0 EJAARN CCCCC[C@@H]1[C@H](CC(=O)OC)CC[C@@H]1OC(=O)Nc1ccccc1 ZINC000004024233 210102336 /nfs/dbraw/zinc/10/23/36/210102336.db2.gz AUTCMLIZMUTLIQ-JQHSSLGASA-N 0 0 347.455 4.773 50 0 biogenic EJAARN c1coc(-c2[nH]nc(-c3nc4ccccc4[nH]3)c2-c2ccccc2)c1 ZINC000004036646 210105889 /nfs/dbraw/zinc/10/58/89/210105889.db2.gz ZFMMKRLTIWSQFR-UHFFFAOYSA-N 0 0 326.359 4.880 50 0 EJAARN Cc1nc2cc(C)ccn2c1C(=O)CSc1ccccc1Cl ZINC000004003151 210099261 /nfs/dbraw/zinc/09/92/61/210099261.db2.gz UWXKFDRJWQDCEZ-UHFFFAOYSA-N 0 0 330.840 4.580 50 0 EJAARN COc1ccc(NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc1 ZINC000004006356 210098600 /nfs/dbraw/zinc/09/86/00/210098600.db2.gz NCLFMRXNDDMDFQ-OAQYLSRUSA-N 0 0 343.426 4.640 50 0 EJAARN O=C(Nc1cc(-c2ccccc2)[nH]n1)c1ccc(-c2ccccc2)cc1 ZINC000003998067 210097573 /nfs/dbraw/zinc/09/75/73/210097573.db2.gz KJVKZHNORNRCGK-UHFFFAOYSA-N 0 0 339.398 4.996 50 0 EJAARN O=C(N(Cc1ccccc1)c1ccccn1)C12CC3CC(CC(C3)C1)C2 ZINC000003998600 210097458 /nfs/dbraw/zinc/09/74/58/210097458.db2.gz LKLFNWAQJYRLDW-UHFFFAOYSA-N 0 0 346.474 4.831 50 0 EJAARN S=C1N=C2C(=C3SCCS3)CCCC2[C@H](c2ccccc2)N1 ZINC000013878974 201919460 /nfs/dbraw/zinc/91/94/60/201919460.db2.gz FESZHHIGUGMBHK-AWEZNQCLSA-N 0 0 346.546 4.746 50 0 EJAARN Cc1cccc2nc(-c3cccs3)c(Nc3ccc4c(c3)OCO4)n21 ZINC000003911526 210092599 /nfs/dbraw/zinc/09/25/99/210092599.db2.gz MWLPLQHLKKLBAF-UHFFFAOYSA-N 0 0 349.415 4.844 50 0 EJAARN CCCCc1ccc(NC=C2N=C(c3ccc(C)cc3)OC2=O)cc1 ZINC000003910978 210092269 /nfs/dbraw/zinc/09/22/69/210092269.db2.gz MDWVWFJIJAVCTR-XMHGGMMESA-N 0 0 334.419 4.595 50 0 EJAARN O=C1OC(/C=C/c2ccc(Cl)cc2)=N/C1=C/C=C/c1ccccc1 ZINC000003910793 210092471 /nfs/dbraw/zinc/09/24/71/210092471.db2.gz XZHKAQIJFWMXMB-VDFGJRGVSA-N 0 0 335.790 4.906 50 0 EJAARN Cc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=Nc3ncnn32)c(C)c1 ZINC000102047030 219182417 /nfs/dbraw/zinc/18/24/17/219182417.db2.gz NSUXFCGVXBSCFF-SFHVURJKSA-N 0 0 336.826 4.604 50 0 EJAARN CCCc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)no1 ZINC000003908975 210091426 /nfs/dbraw/zinc/09/14/26/210091426.db2.gz LFCKSWIGQJCOEA-UHFFFAOYSA-N 0 0 332.709 4.552 50 0 EJAARN COc1ccc(-c2cn(-c3ccc(C)cc3C)c(=S)[nH]2)cc1OC ZINC000003906927 210089656 /nfs/dbraw/zinc/08/96/56/210089656.db2.gz MEHSRHGDXYPCKN-UHFFFAOYSA-N 0 0 340.448 4.836 50 0 EJAARN CCCn1c2ccccc2nc1SCCOc1ccccc1OC ZINC000003902612 210088945 /nfs/dbraw/zinc/08/89/45/210088945.db2.gz KYNREZLTQJXVLV-UHFFFAOYSA-N 0 0 342.464 4.626 50 0 EJAARN Cc1ccc(NC(=O)c2ccccc2C)c(C(=O)c2ccccc2)c1 ZINC000003896038 210086128 /nfs/dbraw/zinc/08/61/28/210086128.db2.gz FKLJMHHLWDSDJC-UHFFFAOYSA-N 0 0 329.399 4.787 50 0 EJAARN CCn1nccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000014183437 201930618 /nfs/dbraw/zinc/93/06/18/201930618.db2.gz FQKKKMWYGBDFPO-UHFFFAOYSA-N 0 0 331.828 4.537 50 0 EJAARN CC(C)CN1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N ZINC000102120487 219187325 /nfs/dbraw/zinc/18/73/25/219187325.db2.gz RBPKWECDVLXXII-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/06/99/44/210069944.db2.gz OUEZQPDEAVAOLI-HXUWFJFHSA-N 0 0 325.477 4.893 50 0 EJAARN COc1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1Cl ZINC000003609138 210064519 /nfs/dbraw/zinc/06/45/19/210064519.db2.gz ZVDBDDPBJWOUAW-UHFFFAOYSA-N 0 0 341.794 4.763 50 0 EJAARN COc1cc2c(cc1NC(=O)/C=C/c1ccco1)oc1ccccc12 ZINC000003567034 210057955 /nfs/dbraw/zinc/05/79/55/210057955.db2.gz YWVOGKVVXQARSK-CMDGGOBGSA-N 0 0 333.343 4.840 50 0 EJAARN Brc1ccc(SCc2nnc(-c3ccccc3)o2)cc1 ZINC000003551966 210053590 /nfs/dbraw/zinc/05/35/90/210053590.db2.gz VCDDFBFSSOGSFT-UHFFFAOYSA-N 0 0 347.237 4.791 50 0 EJAARN C[C@@H](Sc1ccccc1F)C(=O)Nc1ncc(Cl)cc1Cl ZINC000003473430 210048497 /nfs/dbraw/zinc/04/84/97/210048497.db2.gz KIOZMVNYZAKTNH-MRVPVSSYSA-N 0 0 345.226 4.647 50 0 EJAARN Cc1sc2nc(-c3cccnc3)nc(N[C@@H](C)C(C)C)c2c1C ZINC000003455517 210043935 /nfs/dbraw/zinc/04/39/35/210043935.db2.gz UEPRMEYLMRRZNR-LBPRGKRZSA-N 0 0 326.469 4.827 50 0 EJAARN O=C(CSc1nc(-c2ccccc2)cs1)NCC1CCCCC1 ZINC000003454024 210043945 /nfs/dbraw/zinc/04/39/45/210043945.db2.gz PGIUKGJKFPTNIO-UHFFFAOYSA-N 0 0 346.521 4.599 50 0 EJAARN Cc1ccc(NC(=O)CCSc2nc3ccccc3s2)cc1 ZINC000003450605 210042615 /nfs/dbraw/zinc/04/26/15/210042615.db2.gz LCCBSGMYISVBKQ-UHFFFAOYSA-N 0 0 328.462 4.726 50 0 EJAARN CCN(C(=O)Cc1ccccc1F)c1nc2cc(Cl)ccc2s1 ZINC000003427034 210035406 /nfs/dbraw/zinc/03/54/06/210035406.db2.gz KYOGWTQISQVREZ-UHFFFAOYSA-N 0 0 348.830 4.684 50 0 EJAARN O=C(COc1ccc(F)cc1Cl)Nc1cccc(C(F)(F)F)c1 ZINC000003417808 210034286 /nfs/dbraw/zinc/03/42/86/210034286.db2.gz LNQVJKCSUIXKET-UHFFFAOYSA-N 0 0 347.695 4.515 50 0 EJAARN Fc1cc(Cl)ccc1NCc1nnc(-c2ccccc2Cl)o1 ZINC000102679768 219220909 /nfs/dbraw/zinc/22/09/09/219220909.db2.gz YHYRDWVXAUBMNF-UHFFFAOYSA-N 0 0 338.169 4.795 50 0 EJAARN COc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc(OC)c1C ZINC000003402602 210028181 /nfs/dbraw/zinc/02/81/81/210028181.db2.gz MPIHNVQLBIDMKZ-UHFFFAOYSA-N 0 0 340.206 4.571 50 0 EJAARN O=C(Nc1ccc(F)cc1)C1[C@@H]2CC[C@@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl ZINC000102716459 219224257 /nfs/dbraw/zinc/22/42/57/219224257.db2.gz NLTXPOMUPHQBKJ-AAVRWANBSA-N 0 0 342.241 4.620 50 0 EJAARN O=C(COC(=O)c1ccccc1Oc1ccccc1)c1ccccc1 ZINC000003380425 210022057 /nfs/dbraw/zinc/02/20/57/210022057.db2.gz DEKDOVZSGKHPID-UHFFFAOYSA-N 0 0 332.355 4.519 50 0 EJAARN CN(c1cc(-c2ccccc2)nn1-c1ccccc1)c1ccccc1N ZINC000003374935 210021634 /nfs/dbraw/zinc/02/16/34/210021634.db2.gz IEILZUQBTQSDPV-UHFFFAOYSA-N 0 0 340.430 4.889 50 0 EJAARN CC(=O)Nc1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1 ZINC000003366041 210018667 /nfs/dbraw/zinc/01/86/67/210018667.db2.gz ZQFJDLPAJULIJA-UHFFFAOYSA-N 0 0 346.386 4.690 50 0 EJAARN CC(C)CSc1nnc(-c2ccccc2F)n1Cc1ccccc1 ZINC000003368872 210019551 /nfs/dbraw/zinc/01/95/51/210019551.db2.gz ZWMVPNRCQGJXIR-UHFFFAOYSA-N 0 0 341.455 4.881 50 0 EJAARN CC(C)c1ccc(N[C@H]2CCCN(C(=O)c3ccsc3)C2)cc1 ZINC000015063431 201949142 /nfs/dbraw/zinc/94/91/42/201949142.db2.gz PPVHJHDKNGAAMB-SFHVURJKSA-N 0 0 328.481 4.588 50 0 EJAARN c1csc(-c2nc3ccccc3c(N3CCc4ccccc4C3)n2)c1 ZINC000003365048 210018831 /nfs/dbraw/zinc/01/88/31/210018831.db2.gz MQFOZXAGSYHKBX-UHFFFAOYSA-N 0 0 343.455 4.921 50 0 EJAARN FC(F)Oc1ccc(NC(=S)Nc2cccc3cnccc32)cc1 ZINC000003354474 210016309 /nfs/dbraw/zinc/01/63/09/210016309.db2.gz ZZZOFMIKDHQORG-UHFFFAOYSA-N 0 0 345.374 4.645 50 0 EJAARN Cc1sc(NC(=O)Cc2ccsc2)nc1-c1ccc(F)cc1 ZINC000003328218 210007696 /nfs/dbraw/zinc/00/76/96/210007696.db2.gz FTJGLSYJZBLYGO-UHFFFAOYSA-N 0 0 332.425 4.500 50 0 EJAARN CCc1ccc2nc(NC(=O)CCCc3cccs3)sc2c1 ZINC000003324852 210007106 /nfs/dbraw/zinc/00/71/06/210007106.db2.gz MMNAXBVNFXOLCD-UHFFFAOYSA-N 0 0 330.478 4.882 50 0 aggregator EJAARN O=C(OCc1cccc(C(F)(F)F)c1)c1ccc2ccccc2n1 ZINC000003338330 210012053 /nfs/dbraw/zinc/01/20/53/210012053.db2.gz LAHLDHGKBLUERN-UHFFFAOYSA-N 0 0 331.293 4.611 50 0 EJAARN CCSc1ncc(-c2ccc(OC)cc2)n1-c1ccc(F)cc1 ZINC000044086999 213608005 /nfs/dbraw/zinc/60/80/05/213608005.db2.gz QEMZKLHNWUNDTF-UHFFFAOYSA-N 0 0 328.412 4.799 50 0 EJAARN C[C@@H]1CCc2nc(NC(=S)Nc3ccc(Cl)cc3)sc2C1 ZINC000003304947 210001697 /nfs/dbraw/zinc/00/16/97/210001697.db2.gz WDKRFVJAYVIHEI-SECBINFHSA-N 0 0 337.901 4.730 50 0 EJAARN Cc1ccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)s1 ZINC000003321530 210006642 /nfs/dbraw/zinc/00/66/42/210006642.db2.gz RZIWCIKYWZQIAW-WJDWOHSUSA-N 0 0 325.433 4.699 50 0 EJAARN Cc1cccc(C)c1NC(=O)CCCSc1nc(C)c(C)c(C)n1 ZINC000003297709 210000324 /nfs/dbraw/zinc/00/03/24/210000324.db2.gz KZBSIAUODWGUHQ-UHFFFAOYSA-N 0 0 343.496 4.530 50 0 EJAARN O=C(Nc1ccccc1-c1cccs1)c1cc2c(s1)CCOC2 ZINC000102981041 219245911 /nfs/dbraw/zinc/24/59/11/219245911.db2.gz DNNIXAJJKNOKDG-UHFFFAOYSA-N 0 0 341.457 4.802 50 0 EJAARN CC(=O)Oc1ccc(C(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000043209939 213568092 /nfs/dbraw/zinc/56/80/92/213568092.db2.gz XWWHYSFBAQRSCB-UHFFFAOYSA-N 0 0 332.355 4.635 50 0 EJAARN CCCCCCOc1ccc(C(=O)c2ccc(OC(C)=O)cc2)cc1 ZINC000043209966 213567871 /nfs/dbraw/zinc/56/78/71/213567871.db2.gz GWXRQFRUFKHJJE-UHFFFAOYSA-N 0 0 340.419 4.802 50 0 EJAARN COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(CC(C)C)=NN32)cc1 ZINC000015906163 201967109 /nfs/dbraw/zinc/96/71/09/201967109.db2.gz KZUTWIGUSKKYDZ-FPOVZHCZSA-N 0 0 336.435 4.935 50 0 EJAARN Cc1cccc(NC(=O)/C=C/c2ccc(Br)cc2)c1C ZINC000003156782 209970729 /nfs/dbraw/zinc/97/07/29/209970729.db2.gz USOYTVDMMMIRRU-DHZHZOJOSA-N 0 0 330.225 4.718 50 0 EJAARN CCc1cccc(NC(=S)N(CCOC)[C@@H](C)c2cccs2)c1 ZINC000003025975 209954310 /nfs/dbraw/zinc/95/43/10/209954310.db2.gz XALVULKHSFVORB-AWEZNQCLSA-N 0 0 348.537 4.717 50 0 EJAARN Cc1c[nH]c(-c2c(-c3ccccc3)ncn2Cc2cccc(Cl)c2)n1 ZINC000067754526 215203276 /nfs/dbraw/zinc/20/32/76/215203276.db2.gz JKXPJOGEWMPPFM-UHFFFAOYSA-N 0 0 348.837 4.950 50 0 EJAARN Cc1cccc(OCCOC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000002983175 209949390 /nfs/dbraw/zinc/94/93/90/209949390.db2.gz YODZYEOFOUQSRF-UHFFFAOYSA-N 0 0 340.206 4.929 50 0 EJAARN CCCCOc1ccc(C(=O)Oc2ccc(C(=O)CC)cc2)cc1 ZINC000002952660 209945541 /nfs/dbraw/zinc/94/55/41/209945541.db2.gz QWSMYYQVCOHXOC-UHFFFAOYSA-N 0 0 326.392 4.677 50 0 EJAARN CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1Br ZINC000002949419 209945191 /nfs/dbraw/zinc/94/51/91/209945191.db2.gz XCNTYJGPKYNRPE-UHFFFAOYSA-N 0 0 348.240 4.663 50 0 EJAARN CC(=O)Nc1cccc(OCc2nc(-c3sccc3C)oc2C)c1 ZINC000067783921 215210785 /nfs/dbraw/zinc/21/07/85/215210785.db2.gz KMBQVHZSKSUSLN-UHFFFAOYSA-N 0 0 342.420 4.557 50 0 EJAARN CCCn1c2ccccc2nc1SCCOc1ccc(OC)cc1 ZINC000002915328 209940796 /nfs/dbraw/zinc/94/07/96/209940796.db2.gz MYIYRRKJBSMOTG-UHFFFAOYSA-N 0 0 342.464 4.626 50 0 EJAARN S=C(NC1CCCCC1)c1cccc(OCc2ccccc2)c1 ZINC000002883706 209936555 /nfs/dbraw/zinc/93/65/55/209936555.db2.gz JHDMZRMACWCQJR-UHFFFAOYSA-N 0 0 325.477 4.863 50 0 EJAARN CC(C)(C)c1csc(NC(=O)COc2ccc(C(C)(C)C)cc2)n1 ZINC000002865711 209929948 /nfs/dbraw/zinc/92/99/48/209929948.db2.gz NODKOTZNUYLQJJ-UHFFFAOYSA-N 0 0 346.496 4.756 50 0 EJAARN COc1ccccc1-c1nc(CSc2ccc(C)cn2)cs1 ZINC000042172160 213483803 /nfs/dbraw/zinc/48/38/03/213483803.db2.gz YFOGEQRIZKYCRH-UHFFFAOYSA-N 0 0 328.462 4.814 50 0 EJAARN COc1ccccc1Oc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000002833415 209925077 /nfs/dbraw/zinc/92/50/77/209925077.db2.gz LLGKLIUNUDTIGA-UHFFFAOYSA-N 0 0 333.387 4.669 50 0 EJAARN Cc1ccc2c(Cl)c(C(=O)N[C@@H](C)c3ccncc3)sc2c1 ZINC000016604995 201976464 /nfs/dbraw/zinc/97/64/64/201976464.db2.gz MWVOJQJBBYSYPN-NSHDSACASA-N 0 0 330.840 4.749 50 0 EJAARN Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(Cl)cc1C ZINC000016647760 201976943 /nfs/dbraw/zinc/97/69/43/201976943.db2.gz FYKZDTGKNVWYOI-UHFFFAOYSA-N 0 0 343.839 4.728 50 0 EJAARN C[C@H](c1cc2ccccc2o1)N(C)C(=O)Cc1cn(C)c2ccccc12 ZINC000068236787 215293030 /nfs/dbraw/zinc/29/30/30/215293030.db2.gz TXYZSXILJMURHZ-OAHLLOKOSA-N 0 0 346.430 4.687 50 0 EJAARN CCCOC(=O)c1c(N)scc1-c1ccc(Cl)c(Cl)c1 ZINC000002754155 209903987 /nfs/dbraw/zinc/90/39/87/209903987.db2.gz OFTBWUWBIXXGGA-UHFFFAOYSA-N 0 0 330.236 4.871 50 0 EJAARN O=C(Nc1cccc(Cl)c1)Nc1ccccc1Br ZINC000002755351 209904072 /nfs/dbraw/zinc/90/40/72/209904072.db2.gz LHBKEJQTVQLMPZ-UHFFFAOYSA-N 0 0 325.593 4.747 50 0 EJAARN O=C(/C=C/c1c(Cl)cccc1Cl)Nc1cccnc1Cl ZINC000002748625 209902171 /nfs/dbraw/zinc/90/21/71/209902171.db2.gz HZCZQUYJCBDWDX-VOTSOKGWSA-N 0 0 327.598 4.694 50 0 EJAARN COc1ccccc1OCc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000002752954 209902179 /nfs/dbraw/zinc/90/21/79/209902179.db2.gz VCFRHTVSWUZVAE-UHFFFAOYSA-N 0 0 333.387 4.527 50 0 EJAARN Cc1[nH]c2ccccc2c1SCCNC(=O)c1cc(C)cc(C)c1 ZINC000002721074 209896016 /nfs/dbraw/zinc/89/60/16/209896016.db2.gz OLEJSBFZHVNMGI-UHFFFAOYSA-N 0 0 338.476 4.615 50 0 EJAARN C[C@@H](NC(=O)COc1ccc2oc3ccccc3c2c1)c1ccccc1 ZINC000002647910 209884404 /nfs/dbraw/zinc/88/44/04/209884404.db2.gz ONKPHUDIAMXQJQ-OAHLLOKOSA-N 0 0 345.398 4.842 50 0 EJAARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1 ZINC000103591653 219315613 /nfs/dbraw/zinc/31/56/13/219315613.db2.gz JGZZHZJZONSRAT-SFHVURJKSA-N 0 0 339.435 4.694 50 0 EJAARN CC[C@@H](C)c1ccc(NC(=O)CSc2nc(C)c(C)c(C)n2)cc1 ZINC000002625884 209876601 /nfs/dbraw/zinc/87/66/01/209876601.db2.gz XUZFXVSFWBUQTI-GFCCVEGCSA-N 0 0 343.496 4.646 50 0 EJAARN Cc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccccc3)o2)cc1C ZINC000002618536 209874768 /nfs/dbraw/zinc/87/47/68/209874768.db2.gz JMKLLYCASPYXHL-AWEZNQCLSA-N 0 0 338.432 4.717 50 0 EJAARN CC(C)(C)c1csc(NC(=O)CSc2ccc(Cl)cc2)n1 ZINC000002550619 209865641 /nfs/dbraw/zinc/86/56/41/209865641.db2.gz VAZVAYPGMKIQND-UHFFFAOYSA-N 0 0 340.901 4.825 50 0 EJAARN Cc1cccc(CSc2nc3cc(Br)c(C)nc3[nH]2)c1 ZINC000002450544 209852150 /nfs/dbraw/zinc/85/21/50/209852150.db2.gz RGCOCBMZFHQOQD-UHFFFAOYSA-N 0 0 348.269 4.630 50 0 EJAARN O=C(Cc1ccc(Br)cc1)c1ccccc1C(F)(F)F ZINC000002393037 209847099 /nfs/dbraw/zinc/84/70/99/209847099.db2.gz UWWVOIIZMVHEMS-UHFFFAOYSA-N 0 0 343.142 4.893 50 0 EJAARN COC1=NC(C)=C[C@@H](C(O)(c2ccccc2)c2ccccc2)C=C[C@@H]1C ZINC000104279217 219369090 /nfs/dbraw/zinc/36/90/90/219369090.db2.gz IIMBFCGBBCBRNL-UWJYYQICSA-N 0 0 347.458 4.693 50 0 EJAARN COc1cccc(OC)c1C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000068741385 215330395 /nfs/dbraw/zinc/33/03/95/215330395.db2.gz KLFPSCFGTVNAIM-UHFFFAOYSA-N 0 0 349.386 4.748 50 0 EJAARN CCCCN(C)C(=O)Nc1ccc(C)c(NC(=O)N(C)CCCC)c1 ZINC000002166582 209826253 /nfs/dbraw/zinc/82/62/53/209826253.db2.gz VTDCNQBWWFSBJX-UHFFFAOYSA-N 0 0 348.491 4.523 50 0 EJAARN Cc1ccc(N2COc3c(C)c4oc(=O)c(C)c(C)c4cc3C2)c(C)c1 ZINC000002160128 209825181 /nfs/dbraw/zinc/82/51/81/209825181.db2.gz ILWPDGXFXWDVSM-UHFFFAOYSA-N 0 0 349.430 4.692 50 0 biogenic EJAARN O=C(CCN1c2ccccc2Sc2ccccc21)NC1CCCC1 ZINC000068814605 215337277 /nfs/dbraw/zinc/33/72/77/215337277.db2.gz LBCGGOVBWLPRAM-UHFFFAOYSA-N 0 0 338.476 4.738 50 0 EJAARN CCCCC(=O)Nc1cc(-c2nc3ncccc3o2)ccc1Cl ZINC000002138836 209824068 /nfs/dbraw/zinc/82/40/68/209824068.db2.gz CMXSHTHSXHDFJN-UHFFFAOYSA-N 0 0 329.787 4.672 50 0 EJAARN CCCOc1ccc(/C=C/C(=O)Nc2ccc(OC)c(Cl)c2)cc1 ZINC000001778166 209793109 /nfs/dbraw/zinc/79/31/09/209793109.db2.gz FSRLYJKMVPDGFD-IZZDOVSWSA-N 0 0 345.826 4.789 50 0 EJAARN CCCCC(=O)Nc1sc(-c2ccccc2)cc1C(=O)OCC ZINC000001768343 209791451 /nfs/dbraw/zinc/79/14/51/209791451.db2.gz VQSWORGTMOFRCP-UHFFFAOYSA-N 0 0 331.437 4.721 50 0 EJAARN COc1cccc([C@@H]2CC(=O)Nc3c(-c4ccccc4)nsc32)c1 ZINC000040266813 213286119 /nfs/dbraw/zinc/28/61/19/213286119.db2.gz KSZMBDAXVJRCIC-HNNXBMFYSA-N 0 0 336.416 4.942 50 0 EJAARN C[C@@H](c1ccccc1)n1c2ccccc2nc1[C@@H](O)c1ccccc1 ZINC000040224193 213282691 /nfs/dbraw/zinc/28/26/91/213282691.db2.gz SKVSGFPMANFINY-KKSFZXQISA-N 0 0 328.415 4.727 50 0 EJAARN C[C@H](c1ccccc1)n1c2ccccc2nc1[C@H](O)c1ccccc1 ZINC000040224191 213282269 /nfs/dbraw/zinc/28/22/69/213282269.db2.gz SKVSGFPMANFINY-IIBYNOLFSA-N 0 0 328.415 4.727 50 0 EJAARN CCN(CC)C(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000001598982 209765427 /nfs/dbraw/zinc/76/54/27/209765427.db2.gz GUCKWJMXZIEVDV-UHFFFAOYSA-N 0 0 336.262 4.994 50 0 EJAARN COc1ccc(-n2c(C)nnc2-c2ccc(-c3ccccc3)cc2)cc1 ZINC000001506971 209754904 /nfs/dbraw/zinc/75/49/04/209754904.db2.gz PWYOEDAECMFZLF-UHFFFAOYSA-N 0 0 341.414 4.918 50 0 EJAARN Cc1ccc([C@@H](NC(=O)Nc2ccccc2F)C(F)(F)F)cc1 ZINC000040153418 213274326 /nfs/dbraw/zinc/27/43/26/213274326.db2.gz XKHBJDUXMLPMOG-CQSZACIVSA-N 0 0 326.293 4.559 50 0 EJAARN O=C(NCCC1CCCCC1)c1[nH]c2ccccc2c1Br ZINC000040150385 213273634 /nfs/dbraw/zinc/27/36/34/213273634.db2.gz YKQBRQNLHGIRGC-UHFFFAOYSA-N 0 0 349.272 4.631 50 0 EJAARN O=C(Nc1ccc(SC(=O)c2ccccc2)cc1)c1ccccc1 ZINC000018194209 201994198 /nfs/dbraw/zinc/99/41/98/201994198.db2.gz RSBWVRLEZDKXIA-UHFFFAOYSA-N 0 0 333.412 4.871 50 0 EJAARN COc1cc2c(cc1NC(=O)c1scnc1C)oc1ccccc12 ZINC000040139070 213271219 /nfs/dbraw/zinc/27/12/19/213271219.db2.gz HCOMQOIYNFUYNE-UHFFFAOYSA-N 0 0 338.388 4.612 50 0 EJAARN CC(C)Oc1cccc([C@@H](C)NC(=O)c2ccc(F)cc2Cl)c1 ZINC000040108209 213267648 /nfs/dbraw/zinc/26/76/48/213267648.db2.gz PTPUINTXSJSLSB-GFCCVEGCSA-N 0 0 335.806 4.757 50 0 EJAARN Cc1c2cccc(F)c2oc1C(=O)N1CCC[C@@H]1c1ccsc1 ZINC000040107753 213267215 /nfs/dbraw/zinc/26/72/15/213267215.db2.gz BVMJKLNICAIIGZ-OAHLLOKOSA-N 0 0 329.396 4.919 50 0 EJAARN O=C(c1csc(Cc2ccccc2)n1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000040090227 213262471 /nfs/dbraw/zinc/26/24/71/213262471.db2.gz NJPDXVIYKYCDOA-FUHWJXTLSA-N 0 0 340.492 4.529 50 0 EJAARN O=C(c1csc(Cc2ccccc2)n1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000040090225 213262039 /nfs/dbraw/zinc/26/20/39/213262039.db2.gz NJPDXVIYKYCDOA-WMZOPIPTSA-N 0 0 340.492 4.529 50 0 EJAARN COc1cc(C)c(NC(=O)N[C@H](c2cccs2)C(C)C)cc1OC ZINC000040103456 213264811 /nfs/dbraw/zinc/26/48/11/213264811.db2.gz QRVGJMQELZXDPO-KRWDZBQOSA-N 0 0 348.468 4.593 50 0 EJAARN CCCC[C@H](CC)CNC(=O)Nc1ccc(NC(C)=O)c(Cl)c1 ZINC000040104415 213264663 /nfs/dbraw/zinc/26/46/63/213264663.db2.gz RMQRXRICYAYZRS-ZDUSSCGKSA-N 0 0 339.867 4.636 50 0 EJAARN CC[C@H](C)C(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C ZINC000040105193 213264495 /nfs/dbraw/zinc/26/44/95/213264495.db2.gz CHTMXDOKQMSDOM-ZDUSSCGKSA-N 0 0 325.412 4.624 50 0 EJAARN CN(Cc1cccc(F)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000040097890 213263624 /nfs/dbraw/zinc/26/36/24/213263624.db2.gz PMYOPRWZPMJGTK-UHFFFAOYSA-N 0 0 326.293 4.508 50 0 EJAARN Cc1ccc(CN[C@H](c2nccn2C)c2ccc(Cl)cc2)c(C)c1 ZINC000040088610 213261364 /nfs/dbraw/zinc/26/13/64/213261364.db2.gz GVYSMXFUGGAQCE-IBGZPJMESA-N 0 0 339.870 4.570 50 0 EJAARN C[C@@H]1CC[C@H](c2cccn2C)N(C(=S)Nc2ccccc2)CC1 ZINC000018943509 201997069 /nfs/dbraw/zinc/99/70/69/201997069.db2.gz DTCACUGAERELGV-CRAIPNDOSA-N 0 0 327.497 4.585 50 0 EJAARN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)[C@H]1CCCc2ccccc21 ZINC000040058972 213255747 /nfs/dbraw/zinc/25/57/47/213255747.db2.gz ROTNWUTUUCIARW-GUYCJALGSA-N 0 0 329.390 4.604 50 0 EJAARN CCCCN(C)C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000040051511 213255559 /nfs/dbraw/zinc/25/55/59/213255559.db2.gz JQYPHRNJCSMBAQ-UHFFFAOYSA-N 0 0 334.419 4.881 50 0 EJAARN Cc1cc2cc(NC(=O)c3ccc(Br)cc3F)ccc2[nH]1 ZINC000040072681 213257921 /nfs/dbraw/zinc/25/79/21/213257921.db2.gz ZIXKXOXBKXXDHJ-UHFFFAOYSA-N 0 0 347.187 4.630 50 0 EJAARN CC(C)CCOc1cccc(C(=O)Nc2ccc(Cl)c(N)c2)c1 ZINC000019736533 202016647 /nfs/dbraw/zinc/01/66/47/202016647.db2.gz ZUSHEENOAKCCNH-UHFFFAOYSA-N 0 0 332.831 4.599 50 0 EJAARN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Cc1cccc2cccnc21 ZINC000040072293 213257267 /nfs/dbraw/zinc/25/72/67/213257267.db2.gz DPITXOXFOGZSLL-CQSZACIVSA-N 0 0 338.838 4.650 50 0 EJAARN CC[C@@H](Oc1ccccc1[C@@H](C)CC)C(=O)Nc1cc(N)ccc1F ZINC000019736798 202018200 /nfs/dbraw/zinc/01/82/00/202018200.db2.gz QOMYZJZKWZAJTE-SCLBCKFNSA-N 0 0 344.430 4.718 50 0 EJAARN Cc1cccc(C)c1NC(=O)CCCSc1ccc(Cl)cn1 ZINC000040067133 213256831 /nfs/dbraw/zinc/25/68/31/213256831.db2.gz MOFWHYRBLXVLCG-UHFFFAOYSA-N 0 0 334.872 4.863 50 0 EJAARN CCOc1ccccc1-c1noc(CNc2ccc(C(C)C)cc2)n1 ZINC000040032405 213253329 /nfs/dbraw/zinc/25/33/29/213253329.db2.gz WSUHCZGGKVDXDN-UHFFFAOYSA-N 0 0 337.423 4.871 50 0 EJAARN O=C(Nc1ccc2ccccc2n1)c1occc1COc1ccccc1 ZINC000040033541 213252893 /nfs/dbraw/zinc/25/28/93/213252893.db2.gz RVNPUQFSDDQLOY-UHFFFAOYSA-N 0 0 344.370 4.659 50 0 EJAARN C[C@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccs1 ZINC000040023912 213251434 /nfs/dbraw/zinc/25/14/34/213251434.db2.gz YJIIABIENAXTND-VIFPVBQESA-N 0 0 330.331 4.529 50 0 EJAARN Cn1cccc1[C@H]1CCCCCN1C(=O)c1ccc(Cl)cc1F ZINC000040047339 213254593 /nfs/dbraw/zinc/25/45/93/213254593.db2.gz KOBYVJJXTYJSGN-QGZVFWFLSA-N 0 0 334.822 4.575 50 0 EJAARN O=C(CSc1ccc(F)cc1)NC1c2ccccc2-c2ccccc21 ZINC000039975970 213247763 /nfs/dbraw/zinc/24/77/63/213247763.db2.gz XJPVQKFNUBHNCS-UHFFFAOYSA-N 0 0 349.430 4.804 50 0 EJAARN Cc1ccc(C(=O)N2CCn3c4ccc(C)cc4c4c3[C@H]2CCC4)cc1 ZINC000001428916 209747848 /nfs/dbraw/zinc/74/78/48/209747848.db2.gz VZIZHLKECMWUSI-OAQYLSRUSA-N 0 0 344.458 4.792 50 0 EJAARN CCc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 ZINC000001074392 209708623 /nfs/dbraw/zinc/70/86/23/209708623.db2.gz HMMOUHDCMZISDY-UHFFFAOYSA-N 0 0 344.414 4.754 50 0 EJAARN Cc1ccc(C)c(-c2nc(-c3cccc(Br)c3)no2)c1 ZINC000001068841 209707050 /nfs/dbraw/zinc/70/70/50/209707050.db2.gz JBQBATVZBDFMHM-UHFFFAOYSA-N 0 0 329.197 4.783 50 0 EJAARN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCC1=CCCCC1 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CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc2ncccc21 ZINC000022020485 212270676 /nfs/dbraw/zinc/27/06/76/212270676.db2.gz WTUBOPDZCORWQD-UHFFFAOYSA-N 0 0 345.229 4.814 50 0 EJAARN Cc1cc(Cl)ccc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000000271374 201456481 /nfs/dbraw/zinc/45/64/81/201456481.db2.gz AHDRVSNMXFKIGO-UHFFFAOYSA-N 0 0 344.625 4.973 50 0 EJAARN Fc1ccccc1Cn1cc(C(=S)N2CCCC2)c2ccccc21 ZINC000000305837 201459217 /nfs/dbraw/zinc/45/92/17/201459217.db2.gz PHKUJJVXNXIMAV-UHFFFAOYSA-N 0 0 338.451 4.600 50 0 EJAARN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(N2CCCC2)cc1 ZINC000000859580 201493161 /nfs/dbraw/zinc/49/31/61/201493161.db2.gz UXDZUQISTYCAAB-LFYBBSHMSA-N 0 0 326.827 4.592 50 0 EJAARN COc1ccccc1CNC(=O)c1sc2cc(C)ccc2c1Cl ZINC000001054025 201496436 /nfs/dbraw/zinc/49/64/36/201496436.db2.gz VQAOEJFXUJBYQJ-UHFFFAOYSA-N 0 0 345.851 4.802 50 0 EJAARN O=C(CCc1cccc(Cl)c1)N1CCS[C@@H](c2ccco2)CC1 ZINC000219418841 241384018 /nfs/dbraw/zinc/38/40/18/241384018.db2.gz GMPMSSRAWAKMMZ-QGZVFWFLSA-N 0 0 349.883 4.572 50 0 EJAARN Cc1ccc2c(c1)sc(C(=O)Nc1ccc3c(c1)OCO3)c2Cl ZINC000000461607 201476139 /nfs/dbraw/zinc/47/61/39/201476139.db2.gz SKEUTMOOSCXYFU-UHFFFAOYSA-N 0 0 345.807 4.844 50 0 EJAARN Cc1ccc(C(=O)[C@@H](OC(=O)c2ccco2)c2ccccc2)cc1C ZINC000000462035 201476182 /nfs/dbraw/zinc/47/61/82/201476182.db2.gz SZYHEISUPZRUGS-FQEVSTJZSA-N 0 0 334.371 4.677 50 0 EJAARN Cc1ccc(NC(=O)CSc2nc3ccccc3s2)cc1Cl ZINC000000468599 201477109 /nfs/dbraw/zinc/47/71/09/201477109.db2.gz IEHNDSIFYVICNI-UHFFFAOYSA-N 0 0 348.880 4.989 50 0 EJAARN C[C@H](Oc1cccc(Cl)c1)C(=O)N(Cc1ccccc1)C(C)(C)C ZINC000000471587 201478237 /nfs/dbraw/zinc/47/82/37/201478237.db2.gz XRJAYJHXZVRAQK-HNNXBMFYSA-N 0 0 345.870 4.935 50 0 EJAARN O=C(c1cccc(-c2cccc(F)c2)c1)N(Cc1ccncc1)C1CC1 ZINC000220097260 241428375 /nfs/dbraw/zinc/42/83/75/241428375.db2.gz GIKURUMEXNAGKZ-UHFFFAOYSA-N 0 0 346.405 4.693 50 0 EJAARN CCN(Cc1ccccc1)C(=O)CCc1ccc2ccn(CC)c2c1 ZINC000075509266 216627217 /nfs/dbraw/zinc/62/72/17/216627217.db2.gz KJHKDCNXLCYQQW-UHFFFAOYSA-N 0 0 334.463 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EJAARN CCOc1cccc(NC(=O)c2cccc(-c3ccccn3)c2C)c1 ZINC000132388175 203677624 /nfs/dbraw/zinc/67/76/24/203677624.db2.gz CIZVVAWKKBNYRD-UHFFFAOYSA-N 0 0 332.403 4.708 50 0 EJAARN O=C(Oc1cccc(Oc2cccnc2)c1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000095456216 203745530 /nfs/dbraw/zinc/74/55/30/203745530.db2.gz GNTSXVPOIINLJO-WOJBJXKFSA-N 0 0 349.361 4.722 50 0 EJAARN COc1cccc2ccc(N3CCC(Oc4ccccc4C)CC3)nc21 ZINC000095497129 203749768 /nfs/dbraw/zinc/74/97/68/203749768.db2.gz HXFPRLJDYKTMMA-UHFFFAOYSA-N 0 0 348.446 4.600 50 0 EJAARN COC[C@@H]1CCCCN1C(=O)Nc1ccc(-c2cccc(F)c2)cc1 ZINC000096141800 203843668 /nfs/dbraw/zinc/84/36/68/203843668.db2.gz MBLZPTLPNCCNME-IBGZPJMESA-N 0 0 342.414 4.526 50 0 EJAARN O=C1Nc2ccc(Cl)cc2SC1=CNc1ccccc1Cl ZINC000100395122 203994318 /nfs/dbraw/zinc/99/43/18/203994318.db2.gz SVNUYJHNNAABGD-RIYZIHGNSA-N 0 0 337.231 4.991 50 0 EJAARN C[C@@H](c1ccccc1)[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000100548071 203995708 /nfs/dbraw/zinc/99/57/08/203995708.db2.gz ULHXHRCKAFMMRL-SMDDNHRTSA-N 0 0 348.229 4.677 50 0 EJAARN COc1ccc(Br)cc1NC(=O)c1ccc(C(C)C)cc1 ZINC000048444605 213939737 /nfs/dbraw/zinc/93/97/37/213939737.db2.gz CYIUAWCHBHTMCJ-UHFFFAOYSA-N 0 0 348.240 4.833 50 0 EJAARN Cc1noc(-c2cnc3nc(C)ccc3c2Nc2ccc(C)c(C)c2)n1 ZINC000049420740 214007115 /nfs/dbraw/zinc/00/71/15/214007115.db2.gz OZKDFYDYXLCDPU-UHFFFAOYSA-N 0 0 345.406 4.657 50 0 EJAARN CS[C@H](C)c1cccc(NC(=O)c2ccccc2-c2cncnc2)c1 ZINC000078112957 217023802 /nfs/dbraw/zinc/02/38/02/217023802.db2.gz KBZAFARWPVMKIP-CQSZACIVSA-N 0 0 349.459 4.820 50 0 EJAARN O=C(Nc1ccc(Cl)cc1F)c1cc(F)ccc1Br ZINC000019198976 212003397 /nfs/dbraw/zinc/00/33/97/212003397.db2.gz CPOABBFZRYTSRP-UHFFFAOYSA-N 0 0 346.558 4.633 50 0 EJAARN CS(=O)(=O)c1ccc(-c2csc(-c3cccc(Cl)c3)n2)cc1 ZINC000018941301 211996357 /nfs/dbraw/zinc/99/63/57/211996357.db2.gz GCUJBKOHLQLDDG-UHFFFAOYSA-N 0 0 349.864 4.534 50 0 EJAARN CCOc1ccccc1C[S@](=O)Cc1csc(C2CCCC2)n1 ZINC000078394751 217047215 /nfs/dbraw/zinc/04/72/15/217047215.db2.gz NEGTTXUOVMVMTE-HSZRJFAPSA-N 0 0 349.521 4.648 50 0 EJAARN CN(Cc1ccc(OC(F)F)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000018173148 211985122 /nfs/dbraw/zinc/98/51/22/211985122.db2.gz JQABDSDRIFNZKI-UHFFFAOYSA-N 0 0 340.757 4.605 50 0 EJAARN Cc1cccc(C)c1Oc1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 ZINC000017988378 211976461 /nfs/dbraw/zinc/97/64/61/211976461.db2.gz SCIWZTPUEVRHNT-OALUTQOASA-N 0 0 349.430 4.775 50 0 EJAARN Cc1ccc(Oc2ccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@@H]4C3=O)cc2)cc1 ZINC000017987933 211976255 /nfs/dbraw/zinc/97/62/55/211976255.db2.gz VTQKRHRXTIMFKW-BEVDRBHNSA-N 0 0 349.430 4.713 50 0 EJAARN O=C(Nc1ccon1)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000017072633 211954622 /nfs/dbraw/zinc/95/46/22/211954622.db2.gz MNIHTVMKLJLKEY-UHFFFAOYSA-N 0 0 349.777 4.796 50 0 EJAARN COc1ccc(CCc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 ZINC000017072342 211953921 /nfs/dbraw/zinc/95/39/21/211953921.db2.gz RXBWOBRBNJPHLP-UHFFFAOYSA-N 0 0 348.324 4.549 50 0 EJAARN CCCCc1ccc(N2C(=O)CS[C@H]2c2ccccc2F)cc1 ZINC000017198477 211960099 /nfs/dbraw/zinc/96/00/99/211960099.db2.gz PNXSLLGWXJCXFQ-IBGZPJMESA-N 0 0 329.440 4.947 50 0 EJAARN Cc1cccn2c(NC(=O)c3ccccc3)c(-c3cccs3)nc12 ZINC000016742307 211933443 /nfs/dbraw/zinc/93/34/43/211933443.db2.gz PEZPQIKFOGLQTR-UHFFFAOYSA-N 0 0 333.416 4.624 50 0 EJAARN COCc1cccc(N[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c1 ZINC000079301680 217205825 /nfs/dbraw/zinc/20/58/25/217205825.db2.gz PJKGYMRPEZQBJV-CYBMUJFWSA-N 0 0 341.386 4.504 50 0 EJAARN CCc1n[nH]c(=O)c(-c2nc(-c3cc(C)ccc3C)cs2)c1CC ZINC000079108458 217195935 /nfs/dbraw/zinc/19/59/35/217195935.db2.gz OIBIDOSQZXNVSD-UHFFFAOYSA-N 0 0 339.464 4.714 50 0 EJAARN Cc1ccsc1[C@@H]1CCCCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000015866702 211864683 /nfs/dbraw/zinc/86/46/83/211864683.db2.gz TZGMWEIQMPLSAJ-KRWDZBQOSA-N 0 0 349.521 4.671 50 0 EJAARN CC(C)[C@H]1SCC(=O)Nc2c1c(=O)[nH]n2C1CCCCCCC1 ZINC000079482420 217231148 /nfs/dbraw/zinc/23/11/48/217231148.db2.gz KEUBYDAFEYDBCY-OAHLLOKOSA-N 0 0 337.489 4.906 50 0 EJAARN Cc1c2cc(C)ccc2oc1C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000015833260 211858164 /nfs/dbraw/zinc/85/81/64/211858164.db2.gz JLVYXOMMMOHPQC-NSHDSACASA-N 0 0 340.448 4.883 50 0 EJAARN C[C@@H](COc1ccc(Cl)cc1)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000080345928 217298765 /nfs/dbraw/zinc/29/87/65/217298765.db2.gz FZFAMMCGYJJVLD-AWEZNQCLSA-N 0 0 345.870 4.835 50 0 EJAARN Cc1onc(-c2ccc(Cl)cc2)c1C(=O)N[C@H](C)c1ccccc1 ZINC000080343675 217299080 /nfs/dbraw/zinc/29/90/80/217299080.db2.gz HLKVOHXUTDMRBJ-GFCCVEGCSA-N 0 0 340.810 4.794 50 0 EJAARN Cc1onc(-c2ccc(Cl)cc2)c1C(=O)Nc1ccccc1F ZINC000080343709 217299221 /nfs/dbraw/zinc/29/92/21/217299221.db2.gz LNTHRESHGFBWHX-UHFFFAOYSA-N 0 0 330.746 4.695 50 0 EJAARN Cc1cc(CSc2ccccc2C(=O)NC2CCCCCC2)on1 ZINC000015191451 211806572 /nfs/dbraw/zinc/80/65/72/211806572.db2.gz JZRCELUOHUOQIC-UHFFFAOYSA-N 0 0 344.480 4.728 50 0 EJAARN O=C(Nc1ccnn1C1CCCCC1)N1CCC[C@@H]1c1ccccc1 ZINC000111744532 220187250 /nfs/dbraw/zinc/18/72/50/220187250.db2.gz SGJKBQYLFKQARW-GOSISDBHSA-N 0 0 338.455 4.757 50 0 EJAARN Cc1nc2ccc(NC(=O)c3ccc(C)c(-n4cccc4)c3)cc2s1 ZINC000014772601 211762729 /nfs/dbraw/zinc/76/27/29/211762729.db2.gz SFJJCNNBOFNKFE-UHFFFAOYSA-N 0 0 347.443 4.956 50 0 EJAARN Cc1c(-c2cccc(NC(=O)CCC3CCCC3)c2)nc2ncccn12 ZINC000004033181 205672320 /nfs/dbraw/zinc/67/23/20/205672320.db2.gz MQHRAGJDILODDK-UHFFFAOYSA-N 0 0 348.450 4.614 50 0 EJAARN COc1cc2ccccc2cc1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000004158421 205688151 /nfs/dbraw/zinc/68/81/51/205688151.db2.gz WIWGQCNLHWKLTQ-UHFFFAOYSA-N 0 0 335.447 4.547 50 0 EJAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1cccs1 ZINC000014582966 211746446 /nfs/dbraw/zinc/74/64/46/211746446.db2.gz XJKUIYJVNVEVLM-UHFFFAOYSA-N 0 0 343.370 4.737 50 0 EJAARN CCSc1ccccc1C(=O)Nc1nc2ccc(OC)cc2s1 ZINC000005240683 205763356 /nfs/dbraw/zinc/76/33/56/205763356.db2.gz XMMHIEFSJYVSER-UHFFFAOYSA-N 0 0 344.461 4.669 50 0 EJAARN CCCC(=O)N(Cc1ccccc1)c1nc2ccc(F)cc2s1 ZINC000005299728 205766235 /nfs/dbraw/zinc/76/62/35/205766235.db2.gz XQDKAJKCDKWBND-UHFFFAOYSA-N 0 0 328.412 4.769 50 0 EJAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(Cl)cc1F ZINC000007117286 205827181 /nfs/dbraw/zinc/82/71/81/205827181.db2.gz MFIDFZYTIZWRPS-SNVBAGLBSA-N 0 0 348.830 4.922 50 0 EJAARN O=c1[nH]c(CSC2=Nc3ccccc3CS2)cc2ccccc21 ZINC000156829893 206101621 /nfs/dbraw/zinc/10/16/21/206101621.db2.gz GSJIOCOSYAFZJJ-UHFFFAOYSA-N 0 0 338.457 4.696 50 0 EJAARN C[C@@H](CCc1ccccc1)NC(=O)Cc1ccc(Cl)cc1Cl ZINC000014137542 211689996 /nfs/dbraw/zinc/68/99/96/211689996.db2.gz KVITUBIBKSQVEN-ZDUSSCGKSA-N 0 0 336.262 4.673 50 0 EJAARN O=C(CCCOc1ccccc1)Nc1nc(-c2cccs2)cs1 ZINC000014122933 211687429 /nfs/dbraw/zinc/68/74/29/211687429.db2.gz SELCINAHXRZXET-UHFFFAOYSA-N 0 0 344.461 4.669 50 0 EJAARN Cc1cc(NC(=O)C2CC2)sc1C(=O)Nc1ccc(C(C)C)cc1 ZINC000014070878 211675567 /nfs/dbraw/zinc/67/55/67/211675567.db2.gz OEWLDUVYWXWTNP-UHFFFAOYSA-N 0 0 342.464 4.781 50 0 EJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1c(C)cc(C)cc1C ZINC000000118529 206208464 /nfs/dbraw/zinc/20/84/64/206208464.db2.gz JLGWMEPMTDHQAH-UHFFFAOYSA-N 0 0 345.464 4.719 50 0 EJAARN CCCn1c(CC)nnc1SCc1c(Cl)cccc1Cl ZINC000013993159 211665212 /nfs/dbraw/zinc/66/52/12/211665212.db2.gz ZWJIESOZHZRSFT-UHFFFAOYSA-N 0 0 330.284 4.850 50 0 EJAARN COc1ccc(/C=C(/C(=O)NC2CCCCC2)c2ccccc2)cc1 ZINC000013895690 211656390 /nfs/dbraw/zinc/65/63/90/211656390.db2.gz MHIYGPYQEOQTJD-LTGZKZEYSA-N 0 0 335.447 4.685 50 0 EJAARN CCc1ccc(-n2c(C)nnc2-c2ccc(Br)cc2)cc1 ZINC000084847584 217649821 /nfs/dbraw/zinc/64/98/21/217649821.db2.gz FSFAVMUCBYVKSQ-UHFFFAOYSA-N 0 0 342.240 4.568 50 0 EJAARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1ncccc1C ZINC000013693132 211613828 /nfs/dbraw/zinc/61/38/28/211613828.db2.gz QOIUZXCGSCXYTD-UHFFFAOYSA-N 0 0 343.839 4.728 50 0 EJAARN C[C@H](c1cccnc1)N(C(=O)c1ccc(-c2cscn2)cc1)C1CC1 ZINC000087238564 217721299 /nfs/dbraw/zinc/72/12/99/217721299.db2.gz QSDWEJYXORNGOP-CQSZACIVSA-N 0 0 349.459 4.571 50 0 EJAARN Cc1nn(-c2cc(C)cc(C)c2)c2c1[C@@H](c1cccs1)CC(=O)N2 ZINC000013552846 211577451 /nfs/dbraw/zinc/57/74/51/211577451.db2.gz DFRSJUPSHGBAEK-OAHLLOKOSA-N 0 0 337.448 4.983 50 0 EJAARN COC(=O)c1c(NC2CCCCCC2)onc1-c1ccc(Cl)cc1 ZINC000013362644 211549717 /nfs/dbraw/zinc/54/97/17/211549717.db2.gz SZAAXKOOHSZAJT-UHFFFAOYSA-N 0 0 348.830 4.916 50 0 EJAARN CCc1ccc([C@H](C)NC(=O)c2ccccc2Br)cc1 ZINC000013329796 211547595 /nfs/dbraw/zinc/54/75/95/211547595.db2.gz CTRRGPVPJIAVOQ-LBPRGKRZSA-N 0 0 332.241 4.503 50 0 EJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H]1CCCC[C@H]1C ZINC000013329535 211547123 /nfs/dbraw/zinc/54/71/23/211547123.db2.gz MDLHMQLVNKTFKS-ABAIWWIYSA-N 0 0 332.831 4.612 50 0 EJAARN Cc1ccc(C(C)C)c(OCC(=O)N(C)Cc2cccc(Cl)c2)c1 ZINC000013099010 211520357 /nfs/dbraw/zinc/52/03/57/211520357.db2.gz CTVMATXPFRHNCR-UHFFFAOYSA-N 0 0 345.870 4.809 50 0 EJAARN Cc1cc2oc(=O)cc(CN3CCCc4ccccc43)c2cc1Cl ZINC000013070214 211517594 /nfs/dbraw/zinc/51/75/94/211517594.db2.gz DBMVZXLNXWVDGH-UHFFFAOYSA-N 0 0 339.822 4.708 50 0 EJAARN CCCOC(=O)c1ccc(NC(=O)c2cccc3ccccc32)cc1 ZINC000002970028 206419098 /nfs/dbraw/zinc/41/90/98/206419098.db2.gz GKQABWXBGSOULR-UHFFFAOYSA-N 0 0 333.387 4.659 50 0 EJAARN C[C@@H](CNC(=O)CCc1ccc(-c2ccccc2)o1)c1ccccc1 ZINC000013013163 211512253 /nfs/dbraw/zinc/51/22/53/211512253.db2.gz DWNRLGNYKKNSJL-KRWDZBQOSA-N 0 0 333.431 4.799 50 0 EJAARN Cc1ccccc1-c1nc(SCCOc2ccc(Cl)cc2)n[nH]1 ZINC000007342019 206522144 /nfs/dbraw/zinc/52/21/44/206522144.db2.gz WTTKVJBDJPEZOH-UHFFFAOYSA-N 0 0 345.855 4.605 50 0 EJAARN Cc1cc(C(=O)Nc2ccc(F)c(Cl)c2)c(C)n1Cc1ccco1 ZINC000012997855 211504511 /nfs/dbraw/zinc/50/45/11/211504511.db2.gz FKIVZQNKMCGQHA-UHFFFAOYSA-N 0 0 346.789 4.791 50 0 EJAARN COc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000012949475 211491076 /nfs/dbraw/zinc/49/10/76/211491076.db2.gz PAUPFFSEDFCNGO-QGZVFWFLSA-N 0 0 330.815 4.718 50 0 EJAARN CCN(Cc1ccccc1)C(=O)c1sc(-c2cccs2)nc1C ZINC000012902317 211478356 /nfs/dbraw/zinc/47/83/56/211478356.db2.gz GYCWPVMHRKWOET-UHFFFAOYSA-N 0 0 342.489 4.842 50 0 EJAARN CSc1cccc(NC(=O)Cc2csc(-c3ccsc3)n2)c1 ZINC000012744967 211443193 /nfs/dbraw/zinc/44/31/93/211443193.db2.gz LDDRITFHPBBGFH-UHFFFAOYSA-N 0 0 346.502 4.775 50 0 EJAARN Cc1ccc(C)c2sc(NC(=O)c3ccc4ccccc4n3)nc21 ZINC000012736955 211441724 /nfs/dbraw/zinc/44/17/24/211441724.db2.gz QBQAIKLELVPZMU-UHFFFAOYSA-N 0 0 333.416 4.714 50 0 EJAARN COc1cccc([C@H]2CCCN2Cc2nc(-c3ccco3)oc2C)c1 ZINC000012431027 211378711 /nfs/dbraw/zinc/37/87/11/211378711.db2.gz QTXNPZMUSQHGKM-GOSISDBHSA-N 0 0 338.407 4.589 50 0 EJAARN O=C1C[C@@H](c2ccc(OC3CCCCC3)cc2)c2sccc2N1 ZINC000012429142 211378240 /nfs/dbraw/zinc/37/82/40/211378240.db2.gz JDVHEMDPMQVFPT-INIZCTEOSA-N 0 0 327.449 4.934 50 0 EJAARN CCOC(=O)c1sc(/C=C/c2cccnc2)nc1-c1ccccc1 ZINC000012526741 211399053 /nfs/dbraw/zinc/39/90/53/211399053.db2.gz ORIZYHBVSCJMRT-ZHACJKMWSA-N 0 0 336.416 4.552 50 0 EJAARN Cc1ccccc1[C@@H](CC(=O)N(C)Cc1ccccn1)c1ccccc1 ZINC000012435961 211380220 /nfs/dbraw/zinc/38/02/20/211380220.db2.gz GOIPSXABVUELAE-QFIPXVFZSA-N 0 0 344.458 4.571 50 0 EJAARN O=C(/N=c1\scc(-c2ccccc2)n1-c1ccccc1)c1ccco1 ZINC000012436514 211380116 /nfs/dbraw/zinc/38/01/16/211380116.db2.gz BXUWKCDVRSUCRR-MRCUWXFGSA-N 0 0 346.411 4.540 50 0 EJAARN CCCCn1c2ccccc2nc1NC(=O)c1ccc(Cl)cc1 ZINC000012436922 211380151 /nfs/dbraw/zinc/38/01/51/211380151.db2.gz WVMNZWSWCXKZMV-UHFFFAOYSA-N 0 0 327.815 4.742 50 0 EJAARN COc1ccc([C@@H]2CC(=O)c3c(nccc3-c3ccccc3)C2)cc1 ZINC000012420630 211375067 /nfs/dbraw/zinc/37/50/67/211375067.db2.gz FJWBJUVJUCBRPK-KRWDZBQOSA-N 0 0 329.399 4.670 50 0 EJAARN CC[C@H](O)c1nc2ccccc2n1CCCOc1ccc(C)c(C)c1 ZINC000012418921 211374923 /nfs/dbraw/zinc/37/49/23/211374923.db2.gz VIOPWJMWJCJPCU-FQEVSTJZSA-N 0 0 338.451 4.566 50 0 EJAARN CC(=O)[C@H](C)CCCCC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000089895372 217876151 /nfs/dbraw/zinc/87/61/51/217876151.db2.gz QQUVDOAUSBRFKP-HZPDHXFCSA-N 0 0 325.452 4.803 50 0 EJAARN CCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2C)C1 ZINC000012411038 211371153 /nfs/dbraw/zinc/37/11/53/211371153.db2.gz XPLWOCKRSVYTIF-QGZVFWFLSA-N 0 0 347.462 4.665 50 0 EJAARN CCOc1ccccc1-c1nc(CN(C)Cc2ccccc2)c(C)o1 ZINC000012385585 211365329 /nfs/dbraw/zinc/36/53/29/211365329.db2.gz NLXAKALIBPONIQ-UHFFFAOYSA-N 0 0 336.435 4.681 50 0 EJAARN CC(C)(C)c1ccc(OC[C@@H](O)CSCc2ccccc2)cc1 ZINC000012381728 211362147 /nfs/dbraw/zinc/36/21/47/211362147.db2.gz ZTGGOYZMZRRLPM-GOSISDBHSA-N 0 0 330.493 4.657 50 0 EJAARN O=C(NC1CC1)[C@H](SCc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000012260232 211331229 /nfs/dbraw/zinc/33/12/29/211331229.db2.gz BTBSYDISSFJRMF-QGZVFWFLSA-N 0 0 349.858 4.732 50 0 EJAARN COc1cccc(-c2nnc(SCc3ccc(Cl)cc3)o2)c1 ZINC000012178916 211310685 /nfs/dbraw/zinc/31/06/85/211310685.db2.gz OULXSYGHFDJQQB-UHFFFAOYSA-N 0 0 332.812 4.691 50 0 EJAARN CCC[C@@H](C(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccccc1 ZINC000012216921 211322866 /nfs/dbraw/zinc/32/28/66/211322866.db2.gz BLMVTSOZSMSPFP-LJQANCHMSA-N 0 0 336.435 4.558 50 0 EJAARN Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(OCC(C)C)c1 ZINC000012138039 211301969 /nfs/dbraw/zinc/30/19/69/211301969.db2.gz IQXJHDCOGSBIMC-UHFFFAOYSA-N 0 0 347.842 4.701 50 0 EJAARN O=C(c1cccs1)N1Cc2ccccc2O[C@H](c2ccccc2)C1 ZINC000012149283 211308181 /nfs/dbraw/zinc/30/81/81/211308181.db2.gz PTNAFCCDEFRHCQ-SFHVURJKSA-N 0 0 335.428 4.524 50 0 EJAARN CCn1c2ccccc2nc1SCCOc1cc(C)cc(C)c1 ZINC000012062344 211285140 /nfs/dbraw/zinc/28/51/40/211285140.db2.gz QRBMXFLKTNUPHF-UHFFFAOYSA-N 0 0 326.465 4.844 50 0 EJAARN Cc1cc(SCC(=O)c2ccc(-c3ccccc3)cc2)nc(C)n1 ZINC000012016875 211279743 /nfs/dbraw/zinc/27/97/43/211279743.db2.gz TYLXSVQJKQLLMV-UHFFFAOYSA-N 0 0 334.444 4.735 50 0 EJAARN CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NCc2ccco2)cc1 ZINC000012003237 211279290 /nfs/dbraw/zinc/27/92/90/211279290.db2.gz JKVRAPCWLHSUQM-HXUWFJFHSA-N 0 0 349.478 4.930 50 0 EJAARN Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3)no2)cc1F ZINC000011917058 211270532 /nfs/dbraw/zinc/27/05/32/211270532.db2.gz BAZGEPUOTKFQCK-UHFFFAOYSA-N 0 0 330.746 4.695 50 0 EJAARN Cc1ccc(CN(C(=O)c2cccc(Cl)c2)c2ccccn2)cc1 ZINC000011916271 211268450 /nfs/dbraw/zinc/26/84/50/211268450.db2.gz YQPQLLHRWYXZSP-UHFFFAOYSA-N 0 0 336.822 4.890 50 0 EJAARN O=C(c1cccs1)N(Cc1ccc(Cl)cc1)c1ccccn1 ZINC000011914723 211267956 /nfs/dbraw/zinc/26/79/56/211267956.db2.gz DNQSMCMMCYFKEL-UHFFFAOYSA-N 0 0 328.824 4.644 50 0 EJAARN CC(=O)Oc1ccc2cc(-c3coc4cc(C)cc(C)c43)c(=O)oc2c1 ZINC000011869679 211261671 /nfs/dbraw/zinc/26/16/71/211261671.db2.gz OAWAVGRRSDOTEV-UHFFFAOYSA-N 0 0 348.354 4.748 50 0 biogenic EJAARN CCOc1ccc2oc(C)c(C(=O)Nc3ccccc3OCC)c2c1 ZINC000011866457 211260947 /nfs/dbraw/zinc/26/09/47/211260947.db2.gz XYDDKZMWHWKFHY-UHFFFAOYSA-N 0 0 339.391 4.791 50 0 EJAARN CC(=O)Nc1c2ccccc2oc1-c1cc(=O)oc2cc(C)c(C)cc21 ZINC000011865186 211260986 /nfs/dbraw/zinc/26/09/86/211260986.db2.gz IMBAMTMJNXZPDZ-UHFFFAOYSA-N 0 0 347.370 4.781 50 0 EJAARN O=C(Oc1ccc2c(Cc3ccccc3)noc2c1)c1ccccc1F ZINC000011854253 211258949 /nfs/dbraw/zinc/25/89/49/211258949.db2.gz RAFOTSVZJPZYPG-UHFFFAOYSA-N 0 0 347.345 4.777 50 0 EJAARN COc1cc(/C=C/c2ccncc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000011858493 211258841 /nfs/dbraw/zinc/25/88/41/211258841.db2.gz FSDUCCIJKCRFKK-NSCUHMNNSA-N 0 0 349.361 4.619 50 0 EJAARN CCCN(Cc1ccncc1)C(=O)c1[nH]c2c(c1C)c(C)ccc2C ZINC000091745900 218057516 /nfs/dbraw/zinc/05/75/16/218057516.db2.gz PGIJZCUTYHADGV-UHFFFAOYSA-N 0 0 335.451 4.541 50 0 EJAARN O=C(c1cccc2ccccc21)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000011667566 211232414 /nfs/dbraw/zinc/23/24/14/211232414.db2.gz QFZRDMVHGXKJNE-LJQANCHMSA-N 0 0 330.431 4.557 50 0 EJAARN Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1CC[C@H]1c1ccc(F)cc1 ZINC000091779465 218065285 /nfs/dbraw/zinc/06/52/85/218065285.db2.gz XCDXDCYZIAVOIN-SFHVURJKSA-N 0 0 336.410 4.819 50 0 EJAARN Cc1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)c(Cl)c1 ZINC000011328192 211211755 /nfs/dbraw/zinc/21/17/55/211211755.db2.gz XJKLBJXCGJOLON-UHFFFAOYSA-N 0 0 340.810 4.875 50 0 EJAARN COc1ccc(Oc2cc(NC(=O)C3CCCC3)ccc2OC)cc1 ZINC000011292371 211210753 /nfs/dbraw/zinc/21/07/53/211210753.db2.gz RBUWJXKRYYRRAB-UHFFFAOYSA-N 0 0 341.407 4.625 50 0 EJAARN O=C(c1cccc2cnccc21)N1CCCC[C@H]1CCc1ccccc1 ZINC000091933623 218091112 /nfs/dbraw/zinc/09/11/12/218091112.db2.gz WBBOBSIZGVGIOL-FQEVSTJZSA-N 0 0 344.458 4.862 50 0 EJAARN O=C(c1cccc2cnccc21)N1CCCC[C@@H]1CCc1ccccc1 ZINC000091933624 218091506 /nfs/dbraw/zinc/09/15/06/218091506.db2.gz WBBOBSIZGVGIOL-HXUWFJFHSA-N 0 0 344.458 4.862 50 0 EJAARN Cc1ccc(Cl)cc1NC(=O)c1cnc2onc(C(C)C)c2c1 ZINC000011479398 211218791 /nfs/dbraw/zinc/21/87/91/211218791.db2.gz OLPZMGNCKCVWKX-UHFFFAOYSA-N 0 0 329.787 4.560 50 0 EJAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000011448238 211218400 /nfs/dbraw/zinc/21/84/00/211218400.db2.gz QGQXKBKJAKEOKF-VIFPVBQESA-N 0 0 344.411 4.714 50 0 EJAARN O=C(Nc1ccc(Cl)cc1F)c1occc1COc1ccccc1 ZINC000011425556 211216141 /nfs/dbraw/zinc/21/61/41/211216141.db2.gz TXCJRBWMSCUXDY-UHFFFAOYSA-N 0 0 345.757 4.903 50 0 EJAARN Cc1ccc(C)c(C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)c1 ZINC000011071752 211201713 /nfs/dbraw/zinc/20/17/13/211201713.db2.gz RDRJBFZPOBHFNV-UHFFFAOYSA-N 0 0 330.431 4.714 50 0 EJAARN Cc1cccc(C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)c1C ZINC000011071786 211201729 /nfs/dbraw/zinc/20/17/29/211201729.db2.gz HYAKAVLKZZYPQB-UHFFFAOYSA-N 0 0 330.431 4.714 50 0 EJAARN Cc1cc(CNC(=O)CCc2ccc(-c3ccccc3)o2)ccc1F ZINC000011007356 211200902 /nfs/dbraw/zinc/20/09/02/211200902.db2.gz OCYBSWNQPZYOFJ-UHFFFAOYSA-N 0 0 337.394 4.643 50 0 EJAARN Cc1sc(NC(=O)CC(C)C)nc1-c1ccc(OC(F)F)cc1 ZINC000010955260 211196546 /nfs/dbraw/zinc/19/65/46/211196546.db2.gz YOEALBBCJJMELN-UHFFFAOYSA-N 0 0 340.395 4.705 50 0 EJAARN Cc1cc2occ(CC(=O)N[C@@H](c3ccccc3)C3CC3)c2cc1C ZINC000011213840 211207828 /nfs/dbraw/zinc/20/78/28/211207828.db2.gz BIMIMQNBYJCRNG-QFIPXVFZSA-N 0 0 333.431 4.860 50 0 EJAARN Cc1nc2ccc(NC(=O)[C@H](C)Oc3cccc(Cl)c3)cc2s1 ZINC000010784079 211190067 /nfs/dbraw/zinc/19/00/67/211190067.db2.gz IIFJOZOTFKLYBF-JTQLQIEISA-N 0 0 346.839 4.664 50 0 EJAARN Cc1csc(N(C(=O)/C=C/c2csc(C)n2)c2ccccc2)n1 ZINC000010642623 211184076 /nfs/dbraw/zinc/18/40/76/211184076.db2.gz LVLXAIHPLDNVAO-CMDGGOBGSA-N 0 0 341.461 4.595 50 0 EJAARN Cc1ccc(OCc2nnc(SCc3cccc(Cl)c3)o2)cc1 ZINC000010475578 211176067 /nfs/dbraw/zinc/17/60/67/211176067.db2.gz SZUZVWMVGSVMBU-UHFFFAOYSA-N 0 0 346.839 4.903 50 0 EJAARN COc1cc2ccccc2cc1C(=O)Nc1ccc2scnc2c1 ZINC000010217573 211154619 /nfs/dbraw/zinc/15/46/19/211154619.db2.gz ZCWCMAYZUYEMQO-UHFFFAOYSA-N 0 0 334.400 4.710 50 0 EJAARN Cc1nc(-c2cccc(NC(=O)Cc3ccc4c(c3)CCC4)c2)cs1 ZINC000010220038 211154230 /nfs/dbraw/zinc/15/42/30/211154230.db2.gz IOFRVIIVISXEFT-UHFFFAOYSA-N 0 0 348.471 4.788 50 0 EJAARN O=C(Nc1ccc2ncsc2c1)c1cc(Cl)sc1Cl ZINC000010217258 211154354 /nfs/dbraw/zinc/15/43/54/211154354.db2.gz VOYRBIAQCYSTML-UHFFFAOYSA-N 0 0 329.233 4.917 50 0 EJAARN Cc1ccc(Nc2ncc3c(n2)C[C@@H](c2cccs2)CC3=O)cc1 ZINC000010156623 211151240 /nfs/dbraw/zinc/15/12/40/211151240.db2.gz AZEGBBUJUTWSOC-CYBMUJFWSA-N 0 0 335.432 4.503 50 0 EJAARN Cc1nc(-c2ccc(CNC(=O)c3ccccc3Cl)s2)cs1 ZINC000010105319 211148989 /nfs/dbraw/zinc/14/89/89/211148989.db2.gz GKLGVZQEYKBJQS-UHFFFAOYSA-N 0 0 348.880 4.763 50 0 EJAARN O=C(CCSc1ccc(F)cc1)Nc1ccc2ncsc2c1 ZINC000010217343 211154018 /nfs/dbraw/zinc/15/40/18/211154018.db2.gz PNIFZOMPJVQXJF-UHFFFAOYSA-N 0 0 332.425 4.556 50 0 EJAARN COc1ccccc1NC(=O)CCc1ccc(-c2ccc(C)cc2)o1 ZINC000009970563 211137780 /nfs/dbraw/zinc/13/77/80/211137780.db2.gz CDWXZKKWOJYXTB-UHFFFAOYSA-N 0 0 335.403 4.835 50 0 EJAARN O=C(/C=C/c1c(F)cccc1Cl)N1CCC[C@@H]1c1ccccc1 ZINC000009957585 211137432 /nfs/dbraw/zinc/13/74/32/211137432.db2.gz DVEDNTXJNUJXQS-IENJSVCTSA-N 0 0 329.802 4.856 50 0 EJAARN O[C@H](CNc1ncnc2scc(-c3ccccc3)c21)c1ccccc1 ZINC000009882486 211129898 /nfs/dbraw/zinc/12/98/98/211129898.db2.gz JQQZQWPVASXKRS-QGZVFWFLSA-N 0 0 347.443 4.504 50 0 EJAARN Cc1cc(C)cc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1 ZINC000009996095 211139455 /nfs/dbraw/zinc/13/94/55/211139455.db2.gz SXQMCBLHDJWQKQ-KRWDZBQOSA-N 0 0 336.460 4.890 50 0 EJAARN CCc1ccc(CN(C)[C@@H](C)c2nnc(-c3ccc(F)cc3)o2)cc1 ZINC000009836685 211127305 /nfs/dbraw/zinc/12/73/05/211127305.db2.gz LUPPCVGHAFPIAG-AWEZNQCLSA-N 0 0 339.414 4.631 50 0 EJAARN Cc1ccc(NC(=O)NCc2cccn2Cc2ccccc2C)cc1C ZINC000009723997 211120001 /nfs/dbraw/zinc/12/00/01/211120001.db2.gz ULOBWSHCEDKMQQ-UHFFFAOYSA-N 0 0 347.462 4.783 50 0 EJAARN Cc1cccc(NC(=O)NCc2cccn2Cc2ccccc2C)c1C ZINC000009723976 211119755 /nfs/dbraw/zinc/11/97/55/211119755.db2.gz YDDLJAKNLALEIZ-UHFFFAOYSA-N 0 0 347.462 4.783 50 0 EJAARN OCc1cnc(SCc2cccc3ccccc32)n1C1CCCC1 ZINC000009650286 211112622 /nfs/dbraw/zinc/11/26/22/211112622.db2.gz QRXCJGXTHVBYEV-UHFFFAOYSA-N 0 0 338.476 4.936 50 0 EJAARN CC(C)(C)C(=O)Nc1ccc2oc(-c3ccccc3F)cc(=O)c2c1 ZINC000009659960 211112080 /nfs/dbraw/zinc/11/20/80/211112080.db2.gz DAXMLWXKTKLLLF-UHFFFAOYSA-N 0 0 339.366 4.584 50 0 EJAARN Cc1ccccc1-c1cc(=O)c2cc(NC(=O)c3ccco3)ccc2o1 ZINC000009659963 211111942 /nfs/dbraw/zinc/11/19/42/211111942.db2.gz JKAGLSBIJBDPID-UHFFFAOYSA-N 0 0 345.354 4.614 50 0 EJAARN CC(C)N(C(=O)c1noc2c1CCc1sccc1-2)C1CCCCC1 ZINC000009642618 211111018 /nfs/dbraw/zinc/11/10/18/211111018.db2.gz KHMBFEGPGXYZPR-UHFFFAOYSA-N 0 0 344.480 4.685 50 0 EJAARN CC[C@@H](NC(=O)Nc1ccccc1)c1ccc(Br)cc1 ZINC000009602546 211107403 /nfs/dbraw/zinc/10/74/03/211107403.db2.gz PHHQNQUCRAQKIF-OAHLLOKOSA-N 0 0 333.229 4.722 50 0 EJAARN CC[C@@H](C)NC(=O)c1cc(OCc2ccc(C)cc2)nc2ccccc21 ZINC000009587878 211106353 /nfs/dbraw/zinc/10/63/53/211106353.db2.gz PFANJTNWOXXWDK-MRXNPFEDSA-N 0 0 348.446 4.651 50 0 EJAARN Cc1[nH]c2ccc(C(=O)OCc3ncc(-c4ccccc4)o3)cc2c1C ZINC000009552068 211101635 /nfs/dbraw/zinc/10/16/35/211101635.db2.gz KUIKWBOSJDFJEP-UHFFFAOYSA-N 0 0 346.386 4.797 50 0 EJAARN CCOc1ccc2oc(C(=O)N3CCC[C@H]4CCCC[C@H]43)c(C)c2c1 ZINC000009536013 211099707 /nfs/dbraw/zinc/09/97/07/211099707.db2.gz ZWRWLGWDGKOTEK-CRAIPNDOSA-N 0 0 341.451 4.935 50 0 EJAARN Cc1ccccc1NC(=O)N1CCn2cccc2[C@H]1Cc1ccccc1 ZINC000009528209 211098557 /nfs/dbraw/zinc/09/85/57/211098557.db2.gz KDLNBXFQGHLUEQ-OAQYLSRUSA-N 0 0 345.446 4.628 50 0 EJAARN Cc1ccc2n1CCN(C(=O)Nc1cc(C)ccc1C)[C@H]2C(C)C ZINC000009528332 211098308 /nfs/dbraw/zinc/09/83/08/211098308.db2.gz ZIMYCQAVUDFBRM-IBGZPJMESA-N 0 0 325.456 4.658 50 0 EJAARN CC(C)[C@H]1c2cccn2CCN1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000009528279 211098338 /nfs/dbraw/zinc/09/83/38/211098338.db2.gz XARYYVSLLRAUDX-INIZCTEOSA-N 0 0 335.810 4.525 50 0 EJAARN COc1ccc(-c2ocnc2C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000009527256 211096933 /nfs/dbraw/zinc/09/69/33/211096933.db2.gz ZNHFFJKFLYJRBO-UHFFFAOYSA-N 0 0 336.391 4.726 50 0 EJAARN Cc1nn(-c2cc(C)cc(C)c2)c2c1[C@@H](c1ccsc1)CC(=O)N2 ZINC000009486616 211091720 /nfs/dbraw/zinc/09/17/20/211091720.db2.gz CUUFTVGENPAALK-MRXNPFEDSA-N 0 0 337.448 4.983 50 0 EJAARN Cc1cc2occ(CC(=O)Nc3ccnn3C3CCCC3)c2cc1C ZINC000009447319 211084033 /nfs/dbraw/zinc/08/40/33/211084033.db2.gz AZMXSHMCYVWTSM-UHFFFAOYSA-N 0 0 337.423 4.542 50 0 EJAARN C[C@H](C(=O)N1CCCC1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 ZINC000009420225 211081202 /nfs/dbraw/zinc/08/12/02/211081202.db2.gz APTMFYQJBMPVCJ-LBPRGKRZSA-N 0 0 326.827 4.700 50 0 EJAARN O=C1c2ccccc2[C@H](c2c[nH]c3ccccc32)N1Cc1ccccc1 ZINC000009355388 211074483 /nfs/dbraw/zinc/07/44/83/211074483.db2.gz GTYGWNAYRWXKEQ-JOCHJYFZSA-N 0 0 338.410 4.913 50 0 EJAARN COc1ccc(C2=NN(c3nc(C)cs3)[C@@H](c3ccccc3)C2)cc1 ZINC000009305385 211063945 /nfs/dbraw/zinc/06/39/45/211063945.db2.gz LWXQFBXIVMABHI-LJQANCHMSA-N 0 0 349.459 4.816 50 0 EJAARN Cc1ccccc1-c1nc2n(n1)C1(CCCCC1)[C@@H]1CCCC[C@@H]1N2 ZINC000009250927 211057517 /nfs/dbraw/zinc/05/75/17/211057517.db2.gz XRMWDQRCUROGKF-MSOLQXFVSA-N 0 0 336.483 4.897 50 0 biogenic EJAARN Cc1cc(Nc2cccc(Cl)c2C)n2nc(-c3ccccc3)nc2n1 ZINC000009207029 211053596 /nfs/dbraw/zinc/05/35/96/211053596.db2.gz DTHIVFUQMQULRU-UHFFFAOYSA-N 0 0 349.825 4.805 50 0 EJAARN Cc1cc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)no1 ZINC000009203975 211052057 /nfs/dbraw/zinc/05/20/57/211052057.db2.gz NLMGGQDPGYMOFM-UHFFFAOYSA-N 0 0 335.388 4.512 50 0 EJAARN CC(C)C(=O)Nc1cccc(NC(=O)Cc2cccc3ccccc32)c1 ZINC000009231698 211056830 /nfs/dbraw/zinc/05/68/30/211056830.db2.gz YEJUYGKNDNUSCZ-UHFFFAOYSA-N 0 0 346.430 4.616 50 0 EJAARN CC(C)C(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000009230407 211056539 /nfs/dbraw/zinc/05/65/39/211056539.db2.gz UYHNMXVPYOINEZ-UHFFFAOYSA-N 0 0 331.803 4.579 50 0 EJAARN O=C(Nc1nnc(-c2cccs2)s1)Nc1cccc(Cl)c1 ZINC000009169448 211048742 /nfs/dbraw/zinc/04/87/42/211048742.db2.gz DNESWUHKXBFNST-UHFFFAOYSA-N 0 0 336.829 4.564 50 0 EJAARN CC1=Nc2ccccc2N=C(NC(=O)c2ccco2)[C@H]1c1ccccc1 ZINC000009183728 211048107 /nfs/dbraw/zinc/04/81/07/211048107.db2.gz KCJDQXLNWQZJTL-LJQANCHMSA-N 0 0 343.386 4.629 50 0 EJAARN O=C(c1ccco1)N1N=C(c2ccsc2)C[C@@H]1c1ccc(Cl)o1 ZINC000095116088 218281798 /nfs/dbraw/zinc/28/17/98/218281798.db2.gz LAYLUVQGYWKSQM-GFCCVEGCSA-N 0 0 346.795 4.579 50 0 EJAARN COc1cccc(NC(=O)c2ccccc2SCc2ccco2)c1 ZINC000009154742 211045188 /nfs/dbraw/zinc/04/51/88/211045188.db2.gz GLNBOXXWEPRZTD-UHFFFAOYSA-N 0 0 339.416 4.833 50 0 EJAARN Cc1ccccc1-c1nnc(-c2ccc(C(=O)OC3CCCC3)cc2)o1 ZINC000095349017 218284044 /nfs/dbraw/zinc/28/40/44/218284044.db2.gz XFPTVGUABHIEQU-UHFFFAOYSA-N 0 0 348.402 4.811 50 0 EJAARN O=C(Nc1ccc2c(c1)C(=O)Nc1ccccc1O2)C1CCCCC1 ZINC000009134784 211043247 /nfs/dbraw/zinc/04/32/47/211043247.db2.gz XXKYOWHFBYBNHS-UHFFFAOYSA-N 0 0 336.391 4.563 50 0 EJAARN CCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)C(C)C ZINC000009060177 211036696 /nfs/dbraw/zinc/03/66/96/211036696.db2.gz AIVCSLOJJLHJFY-UHFFFAOYSA-N 0 0 338.455 4.653 50 0 EJAARN Clc1ccccc1-c1noc(-c2cc(-c3cccs3)[nH]n2)n1 ZINC000009002118 211030160 /nfs/dbraw/zinc/03/01/60/211030160.db2.gz QVMHRKKWAROTCL-UHFFFAOYSA-N 0 0 328.784 4.509 50 0 EJAARN c1coc([C@@H]2C=C(c3ccc(-c4ccccc4)cc3)Nc3nnnn32)c1 ZINC000008970240 211023851 /nfs/dbraw/zinc/02/38/51/211023851.db2.gz YGGXQOAEMLAPIH-SFHVURJKSA-N 0 0 341.374 4.586 50 0 EJAARN CC(C)CC(=O)Nc1ccc(-c2nc3ncccc3o2)c(Cl)c1 ZINC000008992312 211028552 /nfs/dbraw/zinc/02/85/52/211028552.db2.gz XXIULJFKYLEDSW-UHFFFAOYSA-N 0 0 329.787 4.528 50 0 EJAARN O=C(CCC(=O)c1ccc(Cl)s1)N[C@H]1CCCc2ccccc21 ZINC000008988221 211026479 /nfs/dbraw/zinc/02/64/79/211026479.db2.gz DMWJAEBBQGDHPC-AWEZNQCLSA-N 0 0 347.867 4.558 50 0 EJAARN Cc1ccc(-c2n[nH]cc2C(=O)c2ccc(C(C)(C)C)cc2)c(O)c1 ZINC000008837793 211009197 /nfs/dbraw/zinc/00/91/97/211009197.db2.gz WSGGSXDUYWFENC-UHFFFAOYSA-N 0 0 334.419 4.619 50 0 EJAARN Cc1ccccc1NC(=S)NCc1ccc2[nH]c3c(c2c1)CCCC3 ZINC000008860121 211011842 /nfs/dbraw/zinc/01/18/42/211011842.db2.gz HGJLHHKDLAESDK-UHFFFAOYSA-N 0 0 349.503 4.842 50 0 aggregator EJAARN C[C@@H](c1ccccn1)N(C(=O)c1ccc(-c2cscn2)cc1)C1CC1 ZINC000095410102 218346546 /nfs/dbraw/zinc/34/65/46/218346546.db2.gz RWKLMCZFEVXPEV-AWEZNQCLSA-N 0 0 349.459 4.571 50 0 EJAARN CC(C)n1ccc(C[S@@](=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)n1 ZINC000095418337 218357355 /nfs/dbraw/zinc/35/73/55/218357355.db2.gz PYMISHCUFFJWAX-MQJDWESPSA-N 0 0 345.295 4.781 50 0 EJAARN O=C(/C=C/c1ccc(Cl)cc1)Nc1nc(-c2cccs2)ns1 ZINC000008673401 210979220 /nfs/dbraw/zinc/97/92/20/210979220.db2.gz 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/nfs/dbraw/zinc/39/97/84/218399784.db2.gz DTOICSGSTLESOQ-UHFFFAOYSA-N 0 0 325.437 4.624 50 0 EJAARN CC(C)c1sc(Cl)nc1C(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000095480803 218411959 /nfs/dbraw/zinc/41/19/59/218411959.db2.gz ZKVNWCWQBPSEIH-UHFFFAOYSA-N 0 0 349.765 4.586 50 0 EJAARN COc1ccc(-c2nc(-c3ccc(NC(C)=O)cc3F)cs2)cc1 ZINC000008225471 210916060 /nfs/dbraw/zinc/91/60/60/210916060.db2.gz OEHUGYAIUHCKPV-UHFFFAOYSA-N 0 0 342.395 4.583 50 0 EJAARN CC(=O)Nc1ccc(-c2nc(-c3cccc(F)c3)sc2C)cc1 ZINC000008225561 210916109 /nfs/dbraw/zinc/91/61/09/210916109.db2.gz IBFSCMJDIDZGHN-UHFFFAOYSA-N 0 0 326.396 4.883 50 0 EJAARN Cc1ccc(Cl)cc1NC(=O)c1ccc(F)cc1Br ZINC000008061300 210888395 /nfs/dbraw/zinc/88/83/95/210888395.db2.gz IBQQXCOEFCRSEO-UHFFFAOYSA-N 0 0 342.595 4.802 50 0 EJAARN Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccc(C)c(F)c1 ZINC000007954185 210869657 /nfs/dbraw/zinc/86/96/57/210869657.db2.gz BPICEYMNVPGNTL-UHFFFAOYSA-N 0 0 332.425 4.880 50 0 EJAARN O=C(Nc1ccc2ccccc2c1)c1cc(=O)c2cc(Cl)ccc2o1 ZINC000007940862 210866961 /nfs/dbraw/zinc/86/69/61/210866961.db2.gz SRBNNXQFWFKFFS-UHFFFAOYSA-N 0 0 349.773 4.852 50 0 EJAARN COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000007922758 210865318 /nfs/dbraw/zinc/86/53/18/210865318.db2.gz REUOPLZAMWCMRB-GFCCVEGCSA-N 0 0 337.341 4.513 50 0 EJAARN O=C(Nc1ccc2c(c1)C(=O)CCC2)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000095964146 218468578 /nfs/dbraw/zinc/46/85/78/218468578.db2.gz XLRWUYOBTCLLPE-STQMWFEESA-N 0 0 339.357 4.513 50 0 EJAARN COc1ccccc1[C@H]1Nc2ccccc2C(=O)N1c1ccc(F)cc1 ZINC000007884753 210859662 /nfs/dbraw/zinc/85/96/62/210859662.db2.gz GSUBCWHDZMWPJA-FQEVSTJZSA-N 0 0 348.377 4.605 50 0 EJAARN O=C(Nc1nc2ncccc2cc1-c1ccccc1)c1cccs1 ZINC000011695926 206983099 /nfs/dbraw/zinc/98/30/99/206983099.db2.gz MHDQXGDLPVGKQB-UHFFFAOYSA-N 0 0 331.400 4.611 50 0 EJAARN CCOC(=O)c1c(-c2cc(C)ccc2C)csc1NC(=O)C1CC1 ZINC000007778086 210844769 /nfs/dbraw/zinc/84/47/69/210844769.db2.gz AOTXKFIGWOLPFZ-UHFFFAOYSA-N 0 0 343.448 4.557 50 0 EJAARN CC[C@H](C)c1ccc(NC(=O)CSCc2c(C)noc2C)cc1 ZINC000007780601 210845620 /nfs/dbraw/zinc/84/56/20/210845620.db2.gz QMPSREWPMWRISL-LBPRGKRZSA-N 0 0 332.469 4.677 50 0 EJAARN COc1ccc(C(=O)N[C@H](c2cccs2)c2ccc(C)cc2)cc1 ZINC000007739548 210841562 /nfs/dbraw/zinc/84/15/62/210841562.db2.gz GQYKPYGLWYHIRI-IBGZPJMESA-N 0 0 337.444 4.585 50 0 EJAARN O=C(OC(c1ccccc1)(c1ccccc1)c1ccccc1)C1CC1 ZINC000096011459 218513763 /nfs/dbraw/zinc/51/37/63/218513763.db2.gz AVNZNFCVVJNLPI-UHFFFAOYSA-N 0 0 328.411 4.932 50 0 EJAARN CCNC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(Cl)cc1 ZINC000006913593 210742099 /nfs/dbraw/zinc/74/20/99/210742099.db2.gz PMOISOFAULTZFL-UHFFFAOYSA-N 0 0 340.854 4.710 50 0 EJAARN CCc1ccc(NS(=O)(=O)/C=C/c2c(C)cc(C)cc2C)cc1 ZINC000096137106 218620312 /nfs/dbraw/zinc/62/03/12/218620312.db2.gz PEEQBBXAVUAMPS-ZHACJKMWSA-N 0 0 329.465 4.587 50 0 EJAARN O=C(c1ccccc1Cl)N(Cc1ccco1)Cc1cccc(F)c1 ZINC000006747577 210699276 /nfs/dbraw/zinc/69/92/76/210699276.db2.gz ZXWBICUAPKXPGV-UHFFFAOYSA-N 0 0 343.785 4.915 50 0 EJAARN CCc1ccccc1Nc1cc(C)nc2nc(-c3cccc(C)c3)nn21 ZINC000006765864 210705865 /nfs/dbraw/zinc/70/58/65/210705865.db2.gz IMZGZODGQMUTMI-UHFFFAOYSA-N 0 0 343.434 4.714 50 0 EJAARN Cc1cc(OCc2noc(-c3ccc(F)cc3)n2)cc(C)c1Cl ZINC000006747910 210700556 /nfs/dbraw/zinc/70/05/56/210700556.db2.gz RBLKXIIQCPKRIE-UHFFFAOYSA-N 0 0 332.762 4.725 50 0 EJAARN CC(=O)c1cccc(NC(=O)c2sc(-c3cccs3)nc2C)c1 ZINC000006789195 210713026 /nfs/dbraw/zinc/71/30/26/210713026.db2.gz MJICEMWGBADAAF-UHFFFAOYSA-N 0 0 342.445 4.635 50 0 EJAARN O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc(-c2ccccc2)cc1 ZINC000006566087 210655980 /nfs/dbraw/zinc/65/59/80/210655980.db2.gz FSVQEBMSFJYWBW-MOSHPQCFSA-N 0 0 343.357 4.837 50 0 EJAARN CCc1c(C)sc2[nH]c(=S)n(-c3cc(C)ccc3C)c(=O)c12 ZINC000006566819 210656057 /nfs/dbraw/zinc/65/60/57/210656057.db2.gz OLNYWVFZNYCDMW-UHFFFAOYSA-N 0 0 330.478 4.597 50 0 EJAARN CCOc1ccc(NC(=O)c2ncc(Cl)c(Cl)c2Cl)cc1 ZINC000006510242 210644198 /nfs/dbraw/zinc/64/41/98/210644198.db2.gz MHJPXPYRVMDQMR-UHFFFAOYSA-N 0 0 345.613 4.693 50 0 EJAARN CCOC(=O)C1C(=O)CC2=C(CCc3ccccc32)[C@H]1c1ccco1 ZINC000006499485 210642500 /nfs/dbraw/zinc/64/25/00/210642500.db2.gz OYNQXWBOEQFEBY-IBGZPJMESA-N 0 0 336.387 4.542 50 0 EJAARN COc1ccc(C(C)(C)C)cc1NC(=O)COc1cc(C)cc(C)c1 ZINC000006435296 210633779 /nfs/dbraw/zinc/63/37/79/210633779.db2.gz ZLEOVCHBJKARGN-UHFFFAOYSA-N 0 0 341.451 4.627 50 0 EJAARN CC(=O)c1ccccc1NC(=O)COc1ccccc1-c1ccccc1 ZINC000006342713 210620990 /nfs/dbraw/zinc/62/09/90/210620990.db2.gz VONOFYAYZUREMG-UHFFFAOYSA-N 0 0 345.398 4.574 50 0 EJAARN COc1cc(C)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1OC ZINC000006259124 210608608 /nfs/dbraw/zinc/60/86/08/210608608.db2.gz KPCFTFCTDDMCLK-UHFFFAOYSA-N 0 0 340.206 4.571 50 0 EJAARN Cc1ccc(C)c(-c2csc(NC(=O)CCc3ccccc3)n2)c1 ZINC000006237573 210604936 /nfs/dbraw/zinc/60/49/36/210604936.db2.gz SHWQSYFZFKSRNF-UHFFFAOYSA-N 0 0 336.460 4.998 50 0 EJAARN Cc1cc(SCC(=O)c2ccc(F)c(F)c2)nc2ccccc12 ZINC000012541881 207173400 /nfs/dbraw/zinc/17/34/00/207173400.db2.gz NQVOCXFLDITDLK-UHFFFAOYSA-N 0 0 329.371 4.796 50 0 EJAARN O=C(Cc1cccs1)Nc1nc(-c2ccc(Cl)s2)cs1 ZINC000006085429 210585500 /nfs/dbraw/zinc/58/55/00/210585500.db2.gz URECLXSTXKEMKM-UHFFFAOYSA-N 0 0 340.882 4.768 50 0 EJAARN Cc1ccccc1-n1c(=O)c2c3c(sc2[nH]c1=S)CCCCC3 ZINC000006017072 210578007 /nfs/dbraw/zinc/57/80/07/210578007.db2.gz NEMJIHVLDYYUSY-UHFFFAOYSA-N 0 0 342.489 4.687 50 0 EJAARN CCc1ccc(NCC(=O)Nc2ccccc2Cc2ccccc2)cc1 ZINC000012766463 207245373 /nfs/dbraw/zinc/24/53/73/207245373.db2.gz FHSDGRIGGGFOJX-UHFFFAOYSA-N 0 0 344.458 4.890 50 0 EJAARN CN(Cc1ccccc1F)C(=O)c1sccc1-c1ccccc1 ZINC000012787094 207249867 /nfs/dbraw/zinc/24/98/67/207249867.db2.gz AIBNEDUOLKOOBZ-UHFFFAOYSA-N 0 0 325.408 4.826 50 0 EJAARN CCN(CC(=O)Nc1c(C)cccc1C(C)C)Cc1cccc(F)c1 ZINC000012997734 207263536 /nfs/dbraw/zinc/26/35/36/207263536.db2.gz FRDKNRVHAVIJKV-UHFFFAOYSA-N 0 0 342.458 4.718 50 0 EJAARN O=C(CCCc1nc2ccccc2s1)Nc1cccc(Cl)c1 ZINC000012939223 207267240 /nfs/dbraw/zinc/26/72/40/207267240.db2.gz HLJYIBQERNUQEL-UHFFFAOYSA-N 0 0 330.840 4.911 50 0 EJAARN CCCN1C(=O)S/C(=C/c2cc(C(C)C)c(OCC)cc2C)C1=O ZINC000005891185 210554498 /nfs/dbraw/zinc/55/44/98/210554498.db2.gz VVNXZRZRFICKMV-GZTJUZNOSA-N 0 0 347.480 4.963 50 0 EJAARN CCOCc1ccccc1NC(=O)N(CC)[C@H](CC)c1ccncc1 ZINC000096418004 218779912 /nfs/dbraw/zinc/77/99/12/218779912.db2.gz XHHCMKOTLOCWRO-LJQANCHMSA-N 0 0 341.455 4.623 50 0 EJAARN Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)c1ccccc1C ZINC000005827163 210544204 /nfs/dbraw/zinc/54/42/04/210544204.db2.gz BSBWYIBMZDVKLC-UHFFFAOYSA-N 0 0 341.414 4.870 50 0 EJAARN Cc1cccc2sc(NC(=O)Cc3c(F)cccc3Cl)nc21 ZINC000005617606 210502287 /nfs/dbraw/zinc/50/22/87/210502287.db2.gz MPDDVSYTHRNTME-UHFFFAOYSA-N 0 0 334.803 4.578 50 0 EJAARN c1ccc(Cc2nnc(C(c3ccccc3)c3ccccc3)o2)cc1 ZINC000005603738 210499102 /nfs/dbraw/zinc/49/91/02/210499102.db2.gz GDVFGZDODQSATI-UHFFFAOYSA-N 0 0 326.399 4.841 50 0 EJAARN C[C@@H](c1cccs1)S(=O)(=O)[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000096471554 218849285 /nfs/dbraw/zinc/84/92/85/218849285.db2.gz CDJTYNLYLQAJBI-STQMWFEESA-N 0 0 347.461 4.640 50 0 EJAARN COC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1 ZINC000005526418 210481589 /nfs/dbraw/zinc/48/15/89/210481589.db2.gz QCBFRCIISUTMBF-UHFFFAOYSA-N 0 0 347.201 4.633 50 0 EJAARN C/C=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2C)c(OC)c1 ZINC000096504647 218880850 /nfs/dbraw/zinc/88/08/50/218880850.db2.gz JJMRREMIWOLJMK-XQRVVYSFSA-N 0 0 345.826 4.708 50 0 EJAARN CCn1c(SCc2ccccc2F)nnc1-c1ccc(C)cc1 ZINC000005478036 210471599 /nfs/dbraw/zinc/47/15/99/210471599.db2.gz UYPBVVWASTUKGB-UHFFFAOYSA-N 0 0 327.428 4.705 50 0 EJAARN CCc1ccc([C@H](NC(=O)/C=C\c2ccco2)c2cccs2)cc1 ZINC000096879221 218895665 /nfs/dbraw/zinc/89/56/65/218895665.db2.gz JZIPLJPRRVDHTL-DUQGCJEPSA-N 0 0 337.444 4.823 50 0 EJAARN O=C(Nc1ncnc2sccc21)c1ccc(-c2ccccc2)cc1 ZINC000005299389 210435484 /nfs/dbraw/zinc/43/54/84/210435484.db2.gz QVKYSEFJZOOMEH-UHFFFAOYSA-N 0 0 331.400 4.611 50 0 EJAARN Cc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2ccc(F)cc2)cc1 ZINC000005256421 210426247 /nfs/dbraw/zinc/42/62/47/210426247.db2.gz AQJRYHXPHCPRFW-FQEVSTJZSA-N 0 0 349.409 4.573 50 0 EJAARN CC(C)c1cc(NCc2ccccn2)n2ncc(-c3ccccc3)c2n1 ZINC000005242111 210422127 /nfs/dbraw/zinc/42/21/27/210422127.db2.gz AJIZRAPZOUEJOO-UHFFFAOYSA-N 0 0 343.434 4.527 50 0 EJAARN CSc1cccc(C(=O)Nc2nc3c(ccc(C)c3C)s2)c1 ZINC000005222645 210416268 /nfs/dbraw/zinc/41/62/68/210416268.db2.gz CADZJUAZYXHLCH-UHFFFAOYSA-N 0 0 328.462 4.887 50 0 EJAARN O=C(/C=C\c1ccco1)Nc1ccccc1SCC(F)(F)F ZINC000096942615 218904650 /nfs/dbraw/zinc/90/46/50/218904650.db2.gz HTKFQYCHUJPKDE-FPLPWBNLSA-N 0 0 327.327 4.586 50 0 EJAARN Cc1ccc(NC(=O)Cc2ccc(F)cc2)c(C(=O)c2ccccc2)c1 ZINC000005268323 210429928 /nfs/dbraw/zinc/42/99/28/210429928.db2.gz MUNSEPSNGNATGG-UHFFFAOYSA-N 0 0 347.389 4.546 50 0 EJAARN CCN(c1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1)C(C)C ZINC000005200393 210412922 /nfs/dbraw/zinc/41/29/22/210412922.db2.gz VKPADTJOUVIOCA-UHFFFAOYSA-N 0 0 348.393 4.775 50 0 EJAARN Cn1c(C(=O)NCc2ccccc2Cl)cc2oc3ccccc3c21 ZINC000005135635 210398944 /nfs/dbraw/zinc/39/89/44/210398944.db2.gz MTKOKORKWTZFJH-UHFFFAOYSA-N 0 0 338.794 4.508 50 0 EJAARN CCOc1ccccc1NC(=O)[C@@H](Nc1ccccc1)c1ccccc1 ZINC000005118952 210393025 /nfs/dbraw/zinc/39/30/25/210393025.db2.gz XSFJJYWMQUSDFN-NRFANRHFSA-N 0 0 346.430 4.877 50 0 EJAARN CCOc1ccccc1NC(=O)[C@H](Nc1ccccc1)c1ccccc1 ZINC000005118951 210392674 /nfs/dbraw/zinc/39/26/74/210392674.db2.gz XSFJJYWMQUSDFN-OAQYLSRUSA-N 0 0 346.430 4.877 50 0 EJAARN COc1ccc2sc(Nc3ccc(Br)cc3)nc2c1 ZINC000005087646 210386049 /nfs/dbraw/zinc/38/60/49/210386049.db2.gz HJIQWEBLVQWUMD-UHFFFAOYSA-N 0 0 335.226 4.811 50 0 EJAARN Cc1cc(-n2c(C)cc(C(=O)CSc3ccccc3F)c2C)no1 ZINC000005077824 210385523 /nfs/dbraw/zinc/38/55/23/210385523.db2.gz PORWEZSMCYYMAR-UHFFFAOYSA-N 0 0 344.411 4.505 50 0 EJAARN O=c1[nH]c(-c2ccccc2)nc2c1C1(CCCCC1)Cc1ccccc1-2 ZINC000005072891 210384467 /nfs/dbraw/zinc/38/44/67/210384467.db2.gz IHNWXFNDISMGIL-UHFFFAOYSA-N 0 0 342.442 4.862 50 0 biogenic EJAARN CC[C@H](Cc1ccccc1)NC(=O)c1csc2c1CC[C@H](C)C2 ZINC000005070253 210383734 /nfs/dbraw/zinc/38/37/34/210383734.db2.gz GVNUNNIDIFONGS-GOEBONIOSA-N 0 0 327.493 4.624 50 0 EJAARN Cc1ccc(-c2nnc(SCc3ccccc3F)n2C)cc1Cl ZINC000005065600 210381498 /nfs/dbraw/zinc/38/14/98/210381498.db2.gz CVTCSMVIZSSTNS-UHFFFAOYSA-N 0 0 347.846 4.875 50 0 EJAARN CC(=O)c1cccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)c1 ZINC000005041207 210371765 /nfs/dbraw/zinc/37/17/65/210371765.db2.gz VHJOOVSKZHTWML-UHFFFAOYSA-N 0 0 340.276 4.691 50 0 EJAARN Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)c(Cl)cc12 ZINC000005040143 210371843 /nfs/dbraw/zinc/37/18/43/210371843.db2.gz AKVYQDSAOFCBGP-UHFFFAOYSA-N 0 0 335.186 4.987 50 0 EJAARN COc1ccc(-c2nc3c(c(SC)n2)Cc2ccccc2O3)cc1 ZINC000005035280 210370607 /nfs/dbraw/zinc/37/06/07/210370607.db2.gz XASLINSDJWDEPW-UHFFFAOYSA-N 0 0 336.416 4.571 50 0 EJAARN CCOc1ccccc1NC(=O)c1ccc(COc2ccccc2)o1 ZINC000005032729 210368685 /nfs/dbraw/zinc/36/86/85/210368685.db2.gz XSZYWWGMJAULOJ-UHFFFAOYSA-N 0 0 337.375 4.510 50 0 EJAARN Cc1cccc2c1-c1sc(C(=O)NCc3cccs3)cc1CO2 ZINC000005049253 210374731 /nfs/dbraw/zinc/37/47/31/210374731.db2.gz KCYQZBLZFNAFHM-UHFFFAOYSA-N 0 0 341.457 4.607 50 0 EJAARN Cn1c2ccccc2n2cc(-c3ccccc3Br)cc12 ZINC000005020515 210363371 /nfs/dbraw/zinc/36/33/71/210363371.db2.gz HBMJSEACGUEHMQ-UHFFFAOYSA-N 0 0 325.209 4.861 50 0 EJAARN CC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 ZINC000005013431 210360103 /nfs/dbraw/zinc/36/01/03/210360103.db2.gz BYXLPFDEJWPCCB-UHFFFAOYSA-N 0 0 330.387 4.564 50 0 EJAARN Cc1cc2nc(-c3cc(NC(=O)C(C)C)cc(C)c3O)oc2c(C)c1 ZINC000004988497 210350760 /nfs/dbraw/zinc/35/07/60/210350760.db2.gz NDNSYSKYJKYBIF-UHFFFAOYSA-N 0 0 338.407 4.720 50 0 EJAARN C[C@H](NC(=O)c1ccc2ccccc2n1)C12CC3CC(CC(C3)C1)C2 ZINC000004997065 210354603 /nfs/dbraw/zinc/35/46/03/210354603.db2.gz LKXQLTCWAQXFDJ-HIGJEIRPSA-N 0 0 334.463 4.570 50 0 EJAARN O=C1c2ccccc2[C@@H](Nc2ccccc2)N1c1ccc(Cl)cn1 ZINC000004960607 210340893 /nfs/dbraw/zinc/34/08/93/210340893.db2.gz LPQDBPMDWHUXBH-SFHVURJKSA-N 0 0 335.794 4.506 50 0 EJAARN Cc1ccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)cc1 ZINC000004960519 210340960 /nfs/dbraw/zinc/34/09/60/210340960.db2.gz JXMWZAWIHZBLOO-OAQYLSRUSA-N 0 0 328.415 4.762 50 0 EJAARN CCCN(CCC)C(=O)c1cc2c(s1)c1cc(C)ccc1oc2=O ZINC000004939648 210330880 /nfs/dbraw/zinc/33/08/80/210330880.db2.gz INVYENVHWPZHKP-UHFFFAOYSA-N 0 0 343.448 4.578 50 0 EJAARN c1csc(-c2nnc3sc(Cc4cccc5ccccc54)nn32)c1 ZINC000004939187 210329748 /nfs/dbraw/zinc/32/97/48/210329748.db2.gz WPGMFPXGSURCAG-UHFFFAOYSA-N 0 0 348.456 4.658 50 0 EJAARN Cc1nc(NC(=O)CSc2ccccc2)sc1-c1ccccc1 ZINC000004932785 210327867 /nfs/dbraw/zinc/32/78/67/210327867.db2.gz ZRWPQGBLYWVROM-UHFFFAOYSA-N 0 0 340.473 4.849 50 0 EJAARN Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc3ccccc3[nH]2)c(C)c1 ZINC000000036103 208553888 /nfs/dbraw/zinc/55/38/88/208553888.db2.gz CKWVOYDXVGANLE-CQSZACIVSA-N 0 0 339.464 4.607 50 0 EJAARN Cc1ccccc1-c1nnc(SCC(=O)c2c[nH]c3ccccc32)o1 ZINC000004927051 210325995 /nfs/dbraw/zinc/32/59/95/210325995.db2.gz WMDPGQNHNXLINL-UHFFFAOYSA-N 0 0 349.415 4.501 50 0 EJAARN COCCn1c2ccccc2nc1C(c1ccccc1)c1ccccc1 ZINC000004945580 210335951 /nfs/dbraw/zinc/33/59/51/210335951.db2.gz BQNSQRXZEAGXCX-UHFFFAOYSA-N 0 0 342.442 4.863 50 0 EJAARN Cc1onc(-c2ccccc2)c1C(=O)OCc1ccc(Cl)cc1 ZINC000003497351 208560852 /nfs/dbraw/zinc/56/08/52/208560852.db2.gz YGYDFIBFTLXTOX-UHFFFAOYSA-N 0 0 327.767 4.660 50 0 EJAARN C[C@H](NC(=O)CSC1CCCC1)c1ccc(Cl)cc1Cl ZINC000004877701 210310570 /nfs/dbraw/zinc/31/05/70/210310570.db2.gz JYDDMPFEXGEVSR-JTQLQIEISA-N 0 0 332.296 4.846 50 0 EJAARN O=C1c2ccccc2[C@@H](Nc2ccc(Cl)cc2)N1c1cccnc1 ZINC000004917577 210322299 /nfs/dbraw/zinc/32/22/99/210322299.db2.gz YDAKUQFIWLTFRL-SFHVURJKSA-N 0 0 335.794 4.506 50 0 EJAARN Cc1ccc(N2C(=O)c3ccccc3[C@H]2Nc2ccc(C)cc2C)nc1 ZINC000004916674 210322206 /nfs/dbraw/zinc/32/22/06/210322206.db2.gz SSCJORPAHBQWAJ-NRFANRHFSA-N 0 0 343.430 4.778 50 0 EJAARN CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccccc1)C2 ZINC000004910873 210320843 /nfs/dbraw/zinc/32/08/43/210320843.db2.gz YNMUXWYCCPSWKG-MRXNPFEDSA-N 0 0 339.435 4.583 50 0 EJAARN O=C(/C=C/c1ccccc1)N1CCS[C@H]1c1cccc(Cl)c1 ZINC000004909403 210319225 /nfs/dbraw/zinc/31/92/25/210319225.db2.gz LSSKYRHOVGRHMM-BBVFFXRHSA-N 0 0 329.852 4.627 50 0 EJAARN CCc1cccc(N[C@H]2c3ccccc3C(=O)N2c2cc(C)ccn2)c1 ZINC000004900167 210316407 /nfs/dbraw/zinc/31/64/07/210316407.db2.gz NRNQKLMLDZQZPL-OAQYLSRUSA-N 0 0 343.430 4.724 50 0 EJAARN CCN(CC)c1ccc(NC(=O)Cc2coc3cc(C)ccc23)cc1 ZINC000004896672 210314253 /nfs/dbraw/zinc/31/42/53/210314253.db2.gz RPAQRIKBZPDKOA-UHFFFAOYSA-N 0 0 336.435 4.769 50 0 EJAARN CCN(CC)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004881847 210311767 /nfs/dbraw/zinc/31/17/67/210311767.db2.gz YYKNDSOMZWLBBA-UHFFFAOYSA-N 0 0 326.484 4.688 50 0 EJAARN CCCCN(C(=O)c1cccc(NC(=O)C(C)C)c1)c1ccccc1 ZINC000004857532 210302932 /nfs/dbraw/zinc/30/29/32/210302932.db2.gz ZUTNFDKPNKQDKN-UHFFFAOYSA-N 0 0 338.451 4.728 50 0 EJAARN O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccccc1 ZINC000004865872 210304506 /nfs/dbraw/zinc/30/45/06/210304506.db2.gz IKQFQWOSOKRABF-UHFFFAOYSA-N 0 0 349.777 4.796 50 0 EJAARN CCCCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000004842104 210296261 /nfs/dbraw/zinc/29/62/61/210296261.db2.gz DPZCVLIGOATDSK-UHFFFAOYSA-N 0 0 336.391 4.814 50 0 EJAARN COc1ccc(-c2csc(NC(=O)c3ccc(C)cc3C)n2)cc1 ZINC000004813897 210284950 /nfs/dbraw/zinc/28/49/50/210284950.db2.gz QZETUYWLWGGKLY-UHFFFAOYSA-N 0 0 338.432 4.688 50 0 EJAARN Cc1cc(C)n2nc(COc3ccccc3)c(-c3ccccc3)c2n1 ZINC000004828830 210290161 /nfs/dbraw/zinc/29/01/61/210290161.db2.gz SDLPQZSAXMDIDU-UHFFFAOYSA-N 0 0 329.403 4.592 50 0 EJAARN CCCCOc1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)C2)C3(C)C)cc1 ZINC000004820687 210287400 /nfs/dbraw/zinc/28/74/00/210287400.db2.gz FVHNJNYGINNMIT-LEWJYISDSA-N 0 0 343.467 4.590 50 0 EJAARN CCCCOP(=O)(OCCCC)[C@H](O)c1ccc(N(C)C)cc1 ZINC000004815452 210284858 /nfs/dbraw/zinc/28/48/58/210284858.db2.gz ZGGFRWDQZQLDKY-KRWDZBQOSA-N 0 0 343.404 4.570 50 0 EJAARN Cc1[nH]c2ccccc2c1[C@@H]1C(C)=C(C)C(=O)N1Cc1ccccc1 ZINC000004814137 210284583 /nfs/dbraw/zinc/28/45/83/210284583.db2.gz WVIIRRIRDLUFTM-NRFANRHFSA-N 0 0 330.431 4.896 50 0 EJAARN CC(C)CC(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl ZINC000004810564 210283385 /nfs/dbraw/zinc/28/33/85/210283385.db2.gz VLFLIXAINMWXNY-UHFFFAOYSA-N 0 0 327.815 4.868 50 0 EJAARN CCCOc1cc2oc(=O)cc(-c3ccc(OC)cc3)c2cc1Cl ZINC000004809055 210281940 /nfs/dbraw/zinc/28/19/40/210281940.db2.gz MUTFYZIQJOBKLO-UHFFFAOYSA-N 0 0 344.794 4.911 50 0 EJAARN CCOC(=O)/C=C(\C)NCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000004805608 210281203 /nfs/dbraw/zinc/28/12/03/210281203.db2.gz VNELFTQKRBLFCV-GXDHUFHOSA-N 0 0 347.499 4.544 50 0 EJAARN CC(C)(C)[S@](=O)OC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000004800648 210280457 /nfs/dbraw/zinc/28/04/57/210280457.db2.gz MWRRWLFNSUKCMC-ACIPYADQSA-N 0 0 340.488 4.763 50 0 EJAARN O=C(Nc1nccs1)c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000004784141 210277562 /nfs/dbraw/zinc/27/75/62/210277562.db2.gz PWXPQMZXVQXXSF-UHFFFAOYSA-N 0 0 338.310 4.674 50 0 EJAARN CC(C)c1ccc(/C=C/c2nn3c(nnc3-c3cccnc3)s2)cc1 ZINC000004784398 210277148 /nfs/dbraw/zinc/27/71/48/210277148.db2.gz USTPECIEZKUWEV-JXMROGBWSA-N 0 0 347.447 4.542 50 0 EJAARN O=C(Nc1ccccc1Sc1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000004750558 210271125 /nfs/dbraw/zinc/27/11/25/210271125.db2.gz MRLHEYLFMXIGEH-HNNXBMFYSA-N 0 0 333.840 4.609 50 0 EJAARN CC(=O)CSc1nc2cc(C34CC5CC(CC(C5)C3)C4)ccc2o1 ZINC000004760901 210271948 /nfs/dbraw/zinc/27/19/48/210271948.db2.gz PDJKIFKVDZAVRC-UHFFFAOYSA-N 0 0 341.476 4.977 50 0 EJAARN Oc1ccc(Br)cc1/C=C/c1ccc2cccc(O)c2n1 ZINC000004755072 210271977 /nfs/dbraw/zinc/27/19/77/210271977.db2.gz NCVAOVKSTBAPPO-VMPITWQZSA-N 0 0 342.192 4.579 50 0 EJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccccc1C ZINC000008052664 257700712 /nfs/dbraw/zinc/70/07/12/257700712.db2.gz AEECMOFTKLWCJU-UHFFFAOYSA-N 0 0 340.810 4.542 50 0 EJAARN C/C=C\c1cc(C(=O)N(C)[C@@H](C)c2ccccc2)cc(OC)c1OC ZINC000096925939 257839261 /nfs/dbraw/zinc/83/92/61/257839261.db2.gz PGYMTHGPQCVBTC-MLBQELRYSA-N 0 0 339.435 4.570 50 0 EJAARN O=C(C[C@H](c1ccsc1)n1cccc1)Nc1cccc2cccnc21 ZINC000524735183 257841658 /nfs/dbraw/zinc/84/16/58/257841658.db2.gz CUTYHGORHIKTBI-GOSISDBHSA-N 0 0 347.443 4.716 50 0 EJAARN Oc1ccc(OCc2ccccc2)cc1-c1c[nH]nc1-c1ccco1 ZINC000524733731 257842897 /nfs/dbraw/zinc/84/28/97/257842897.db2.gz KYZCMBWWSGDKNY-UHFFFAOYSA-N 0 0 332.359 4.621 50 0 EJAARN CC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2C(F)(F)F)c1 ZINC000150782289 257956475 /nfs/dbraw/zinc/95/64/75/257956475.db2.gz WCKRQYJMXDMKSQ-UHFFFAOYSA-N 0 0 341.716 4.814 50 0 EJAARN CCCCOc1ccc(C)cc1-c1c[nH]c(C(=O)N2CCCCC2)c1 ZINC000426444462 257967867 /nfs/dbraw/zinc/96/78/67/257967867.db2.gz GFKURSQBWQXDKG-UHFFFAOYSA-N 0 0 340.467 4.795 50 0 EJAARN CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253498180 257999177 /nfs/dbraw/zinc/99/91/77/257999177.db2.gz ILCTUFVQFCIIDS-HNWQHMRLSA-N 0 0 332.484 4.530 50 0 EJAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3CC(C)C)cc1 ZINC000245311618 258000457 /nfs/dbraw/zinc/00/04/57/258000457.db2.gz PBZXUXBYDBXDLZ-CTNGQTDRSA-N 0 0 336.435 4.611 50 0 EJAARN COC(=O)c1sc(-c2ccc(Oc3ccc(F)cc3)cc2)cc1N ZINC000328579180 258017150 /nfs/dbraw/zinc/01/71/50/258017150.db2.gz YFPPQPUQLBAHRE-UHFFFAOYSA-N 0 0 343.379 4.715 50 0 EJAARN O=Cc1nn(Cc2c(Cl)cccc2Cl)cc1-c1ccccc1 ZINC000000032370 258047387 /nfs/dbraw/zinc/04/73/87/258047387.db2.gz ZCIJBEOPDPYEKF-UHFFFAOYSA-N 0 0 331.202 4.718 50 0 EJAARN COCCC[C@@H]1CCCCN1C(=O)Nc1c(C)cc(C)cc1Cl ZINC000299792782 258097986 /nfs/dbraw/zinc/09/79/86/258097986.db2.gz GWYHSBHPSDLDLK-HNNXBMFYSA-N 0 0 338.879 4.770 50 0 EJAARN CCC(CC)n1nc(C)cc1NC(=O)N[C@H](CC)c1ccc(C)cn1 ZINC000299798842 258102445 /nfs/dbraw/zinc/10/24/45/258102445.db2.gz UGUIZSKICVFRCW-MRXNPFEDSA-N 0 0 343.475 4.529 50 0 EJAARN CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1cccc(C)c1 ZINC000000465761 258048606 /nfs/dbraw/zinc/04/86/06/258048606.db2.gz UUQMFRFLDUMWMM-CQSZACIVSA-N 0 0 326.465 4.635 50 0 EJAARN Fc1ccccc1Cn1c2ccccc2nc1-c1cccnc1Cl ZINC000001386009 258049029 /nfs/dbraw/zinc/04/90/29/258049029.db2.gz DOUXLIDMBKYMCM-UHFFFAOYSA-N 0 0 337.785 4.939 50 0 EJAARN Nc1ncc2c(n1)-c1ccccc1[C@@H](c1ccc(Cl)c(Cl)c1)C2 ZINC000001386312 258049068 /nfs/dbraw/zinc/04/90/68/258049068.db2.gz SQMXGNUOHXNMKE-CQSZACIVSA-N 0 0 342.229 4.721 50 0 EJAARN O=C(Nc1ccc(O)cc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002172961 258049693 /nfs/dbraw/zinc/04/96/93/258049693.db2.gz FUFSPPBVGAWMKZ-UHFFFAOYSA-N 0 0 330.693 4.708 50 0 EJAARN COc1ccc(C=O)cc1COc1ccccc1Cc1ccccc1 ZINC000002537557 258049872 /nfs/dbraw/zinc/04/98/72/258049872.db2.gz CEQWDYFFJGHXKC-UHFFFAOYSA-N 0 0 332.399 4.678 50 0 EJAARN CCCOc1cccc(C(=O)Nc2ccc(Br)cc2C)c1 ZINC000002997308 258050257 /nfs/dbraw/zinc/05/02/57/258050257.db2.gz MFROFVPMUFHEMY-UHFFFAOYSA-N 0 0 348.240 4.799 50 0 EJAARN CCCc1cc(=O)oc2cc(OC(=O)c3ccccc3)c(Cl)cc12 ZINC000002995773 258050271 /nfs/dbraw/zinc/05/02/71/258050271.db2.gz STXLJMBFNJPXIJ-UHFFFAOYSA-N 0 0 342.778 4.618 50 0 EJAARN Cc1cc(C(=O)Nc2nc3ccc(F)cc3s2)c2ccccc2n1 ZINC000003352127 258050537 /nfs/dbraw/zinc/05/05/37/258050537.db2.gz ASSWYYKARCCIDW-UHFFFAOYSA-N 0 0 337.379 4.544 50 0 EJAARN Cc1cccc(C)c1OCC(=O)Nc1ccccc1-c1ccccc1 ZINC000006128562 258051779 /nfs/dbraw/zinc/05/17/79/258051779.db2.gz LAVXHCOBKDVTMC-UHFFFAOYSA-N 0 0 331.415 4.988 50 0 EJAARN O=C(CCSC/C=C/c1ccccc1)Nc1ccc(F)c(F)c1 ZINC000012909438 258055786 /nfs/dbraw/zinc/05/57/86/258055786.db2.gz JKAVWTGPDJUCIM-QPJJXVBHSA-N 0 0 333.403 4.740 50 0 EJAARN CCCCn1c(C)c(C)nc1S[C@@H](C)c1nc(-c2ccco2)no1 ZINC000032809271 258058588 /nfs/dbraw/zinc/05/85/88/258058588.db2.gz HHDWVDXKMFMTIR-ZDUSSCGKSA-N 0 0 346.456 4.796 50 0 EJAARN C[C@@H]1Cc2ccccc2N1C(=O)c1cccc(OCc2cccs2)c1 ZINC000032940389 258058897 /nfs/dbraw/zinc/05/88/97/258058897.db2.gz VLKXPAAYCJQSFH-OAHLLOKOSA-N 0 0 349.455 4.919 50 0 EJAARN CC[C@@H](C)Nc1cc(C)nc2c(C)c(-c3ccc(Cl)cc3)nn21 ZINC000040217023 258059635 /nfs/dbraw/zinc/05/96/35/258059635.db2.gz FPRRLMTYMRKRHT-LLVKDONJSA-N 0 0 328.847 4.877 50 0 EJAARN Cc1ccc(Oc2ccc(-c3noc(-c4ccncc4)n3)cc2)cc1 ZINC000065005176 258062451 /nfs/dbraw/zinc/06/24/51/258062451.db2.gz BUNJCBMHIXZIKY-UHFFFAOYSA-N 0 0 329.359 4.899 50 0 EJAARN CCOc1ccc(C(=O)c2cnc3ccc(C)cc3c2Cl)cc1 ZINC000071775361 258063952 /nfs/dbraw/zinc/06/39/52/258063952.db2.gz FJZIMOZVSGQHRM-UHFFFAOYSA-N 0 0 325.795 4.826 50 0 EJAARN Cc1ccc(C)c(N2CCN(Cc3ccccc3C(F)(F)F)CC2)c1 ZINC000055292130 132194799 /nfs/dbraw/zinc/19/47/99/132194799.db2.gz FJTRRGCDNOHHTM-UHFFFAOYSA-N 0 0 348.412 4.644 50 0 EJAARN Cc1ccc(C)c(N2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000055292394 132194898 /nfs/dbraw/zinc/19/48/98/132194898.db2.gz UTCWNZGMYZVUEZ-UHFFFAOYSA-N 0 0 349.305 4.932 50 0 EJAARN Cc1cccc(N2CCN(Cc3cccc(Cl)c3Cl)CC2)c1C ZINC000057537494 132200828 /nfs/dbraw/zinc/20/08/28/132200828.db2.gz NOLYQEPZSCSRLB-UHFFFAOYSA-N 0 0 349.305 4.932 50 0 EJAARN Cc1ccc(-c2cc(C(F)F)nc(N3CCC[C@H](C)C3)n2)cc1C ZINC000036612839 132391648 /nfs/dbraw/zinc/39/16/48/132391648.db2.gz HLSRDNROILOMHG-LBPRGKRZSA-N 0 0 331.410 4.934 50 0 EJAARN C[C@@H]1CCCN(c2nc(-c3ccc(Cl)cc3)cc(C(F)F)n2)C1 ZINC000036612831 132391755 /nfs/dbraw/zinc/39/17/55/132391755.db2.gz YTFSAJLUNSPHQU-LLVKDONJSA-N 0 0 337.801 4.971 50 0 EJAARN Cc1c(-c2ccc(Cl)cc2)nn2c1nc(C)cc2N1CCCCC1 ZINC000040216972 132398838 /nfs/dbraw/zinc/39/88/38/132398838.db2.gz PXIBOHFLVXAXEV-UHFFFAOYSA-N 0 0 340.858 4.657 50 0 EJAARN Cc1c(-c2ccc(C)cc2)nn2c1nc(C)cc2N1C[C@H](C)C[C@H](C)C1 ZINC000040216945 132399154 /nfs/dbraw/zinc/39/91/54/132399154.db2.gz CHYCQOQQUMQGAW-IYBDPMFKSA-N 0 0 348.494 4.804 50 0 EJAARN O=C(Nc1ccccc1F)c1ccc(N2CCc3ccccc3C2)cc1 ZINC000063888116 132806190 /nfs/dbraw/zinc/80/61/90/132806190.db2.gz CLJZIVNMIKCPJW-UHFFFAOYSA-N 0 0 346.405 4.641 50 0 EJAARN C=CC(=O)N1c2cc(OC)ccc2-c2c(ssc2=S)C1(C)C ZINC000000292627 135648322 /nfs/dbraw/zinc/64/83/22/135648322.db2.gz HMIOAWVYUZNEEB-UHFFFAOYSA-N 0 0 349.502 4.982 50 0 EJAARN COc1ccc(-c2nc3ccccc3c(N3CCC(C)CC3)n2)cc1 ZINC000005645282 135672244 /nfs/dbraw/zinc/67/22/44/135672244.db2.gz XITGDYDZDBLHEH-UHFFFAOYSA-N 0 0 333.435 4.542 50 0 EJAARN CCN1CCSc2ccc(C(=O)Nc3ccccc3Cl)cc21 ZINC000006802549 135676955 /nfs/dbraw/zinc/67/69/55/135676955.db2.gz KKYWMFKGLFXMRH-UHFFFAOYSA-N 0 0 332.856 4.524 50 0 EJAARN Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2cnc3ccccc3c2)c1 ZINC000170626423 226664798 /nfs/dbraw/zinc/66/47/98/226664798.db2.gz SQGMBPRESRIKLX-ZDUSSCGKSA-N 0 0 340.810 4.603 50 0 EJAARN COCc1ccc(CNc2cccc(-c3cn4c(n3)CCCC4)c2)cc1 ZINC000122041752 222001206 /nfs/dbraw/zinc/00/12/06/222001206.db2.gz LPKHQQMYWARRNY-UHFFFAOYSA-N 0 0 347.462 4.645 50 0 EJAARN Cc1cc(=O)oc2c(C)c(OCc3ccc(F)cc3Cl)ccc12 ZINC000000608397 262518999 /nfs/dbraw/zinc/51/89/99/262518999.db2.gz PJAXAJUCSPMNBF-UHFFFAOYSA-N 0 0 332.758 4.781 50 0 EJAARN CSCc1ccccc1NC(=O)c1ccc(F)cc1C(F)(F)F ZINC000186083390 533866588 /nfs/dbraw/zinc/86/65/88/533866588.db2.gz SSAXXPZBWFVBAV-UHFFFAOYSA-N 0 0 343.345 4.960 50 0 EJAARN COc1ccccc1NC(=O)[C@H](C)SCc1ccccc1Cl ZINC000045089815 518169804 /nfs/dbraw/zinc/16/98/04/518169804.db2.gz VWMSVBZWDNSZGS-LBPRGKRZSA-N 0 0 335.856 4.609 50 0 EJAARN CCCCOC(=O)c1ccc(NC(=O)c2ccc(C)cc2Cl)cc1 ZINC000002995188 520724238 /nfs/dbraw/zinc/72/42/38/520724238.db2.gz SZSCBSQUDBGWGS-UHFFFAOYSA-N 0 0 345.826 4.858 50 0 EJAARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)C(=O)CC[C@@H]4[C@H]3CC[C@H]2C1 ZINC000253498266 534779260 /nfs/dbraw/zinc/77/92/60/534779260.db2.gz FDCINQSOYQUNKB-PFADJMCTSA-N 0 0 332.484 4.530 50 0 EJAARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)CC(=O)C[C@@H]4[C@@H]3CC[C@H]2C1 ZINC000257346104 534780224 /nfs/dbraw/zinc/78/02/24/534780224.db2.gz RAVPGOUPQFSNSA-XFYSECMLSA-N 0 0 332.484 4.530 50 0 EJAARN C[C@@H](Cc1cc2ccccc2o1)NC(=O)c1ccccc1C(F)(F)F ZINC000244947595 524885022 /nfs/dbraw/zinc/88/50/22/524885022.db2.gz DNSNIHPZIDTXCX-LBPRGKRZSA-N 0 0 347.336 4.813 50 0 EJAARN CC(C)(C)[C@@H](NCc1csc([C@H]2CCCO2)n1)c1ccccc1 ZINC000136066148 526639084 /nfs/dbraw/zinc/63/90/84/526639084.db2.gz NUFMXUVBRHSLPS-SJORKVTESA-N 0 0 330.497 4.872 50 0 EJAARN O=C(NCc1ccc(Oc2nccs2)cc1)c1cccc(Cl)c1 ZINC000238964565 526692716 /nfs/dbraw/zinc/69/27/16/526692716.db2.gz YVGZAQYRSGIVPR-UHFFFAOYSA-N 0 0 344.823 4.519 50 0 EJAARN O=C(COc1ccccc1)N1c2ccccc2Sc2ccccc21 ZINC000000027613 526982029 /nfs/dbraw/zinc/98/20/29/526982029.db2.gz GMEIPDIZUYTPOX-UHFFFAOYSA-N 0 0 333.412 4.895 50 0 EJAARN O=C(C[C@@H](c1cccc2ccccc21)n1cccc1)Nc1ccccn1 ZINC000263588567 527098308 /nfs/dbraw/zinc/09/83/08/527098308.db2.gz VUKQJNVRWXYZSU-FQEVSTJZSA-N 0 0 341.414 4.655 50 0 EJAARN CCN(C(=O)c1cc(-c2ccc(F)cc2)c(C)s1)c1cccnc1 ZINC000131993263 529067406 /nfs/dbraw/zinc/06/74/06/529067406.db2.gz AJUDWLJHPZQFJE-UHFFFAOYSA-N 0 0 340.423 4.924 50 0 EJAARN CC(C)c1cc([C@H]2CCCN2Cc2ccc(-c3cc[nH]n3)s2)no1 ZINC000215137775 535370178 /nfs/dbraw/zinc/37/01/78/535370178.db2.gz GBCABRRZHIGIHX-MRXNPFEDSA-N 0 0 342.468 4.587 50 0 EJAARN CC(C)c1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1 ZINC000055543246 535371347 /nfs/dbraw/zinc/37/13/47/535371347.db2.gz UBQNCQKGXNBITQ-UHFFFAOYSA-N 0 0 328.887 4.786 50 0 EJAARN CC(C)c1nc(CN(C)Cc2ccc([C@H]3CCCO3)s2)cs1 ZINC000214973218 535378985 /nfs/dbraw/zinc/37/89/85/535378985.db2.gz FTQSHAJBOZURNI-OAHLLOKOSA-N 0 0 336.526 4.812 50 0 EJAARN CCc1ccc(N2C(=O)Nc3cc(Cl)c(Cl)cc3N2O)cc1 ZINC000000184605 536183989 /nfs/dbraw/zinc/18/39/89/536183989.db2.gz NSGNJTXZKOPQBN-UHFFFAOYSA-N 0 0 338.194 4.719 50 0 EJAARN COc1ccc2c(c1)CCCN2C(=O)c1sc2ccccc2c1C ZINC000039535894 536969722 /nfs/dbraw/zinc/96/97/22/536969722.db2.gz PAMVERGFHYAXAA-UHFFFAOYSA-N 0 0 337.444 4.811 50 0 EJAARN O=[S@](Cc1ccc(Cl)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000058131882 563937622 /nfs/dbraw/zinc/93/76/22/563937622.db2.gz QTFFGLRZBOLFPX-NRFANRHFSA-N 0 0 332.774 4.808 50 0 EJAARN Cc1cc(NC(=O)N(C)[C@@H](C)CC(C)C)ccc1Br ZINC000058418532 563945616 /nfs/dbraw/zinc/94/56/16/563945616.db2.gz JTNOPQZFECDIHO-LBPRGKRZSA-N 0 0 327.266 4.656 50 0 EJAARN C[C@@H](c1ccc(Br)cc1)N(C(=O)OC(C)(C)C)C1CC1 ZINC000145995311 563995054 /nfs/dbraw/zinc/99/50/54/563995054.db2.gz JJYALZMUDZLOEN-NSHDSACASA-N 0 0 340.261 4.910 50 0 EJAARN Brc1ccc2c(c1)[nH]c1cc(Br)ccc12 ZINC000013449819 564063344 /nfs/dbraw/zinc/06/33/44/564063344.db2.gz QPTWWBLGJZWRAV-UHFFFAOYSA-N 0 0 325.003 4.846 50 0 EJAARN CSc1ccccc1-c1nnc(-c2ccc(Br)cc2)o1 ZINC000001397874 564064790 /nfs/dbraw/zinc/06/47/90/564064790.db2.gz GAVUVVDBUKSDOY-UHFFFAOYSA-N 0 0 347.237 4.888 50 0 EJAARN Cc1cc(NC(=S)Nc2ccccc2F)ccc1Br ZINC000013736938 564111908 /nfs/dbraw/zinc/11/19/08/564111908.db2.gz RWZKZJLLFOCPHJ-UHFFFAOYSA-N 0 0 339.233 4.706 50 0 EJAARN CCCC(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 ZINC000000453395 563321980 /nfs/dbraw/zinc/32/19/80/563321980.db2.gz IUIYZOPQYFOCOA-UHFFFAOYSA-N 0 0 329.252 4.779 50 0 EJAARN O=C(CCc1ccc(Br)cc1)c1ccc(F)cc1F ZINC000002517205 563437681 /nfs/dbraw/zinc/43/76/81/563437681.db2.gz MYCNEPIYFYKKGC-UHFFFAOYSA-N 0 0 325.152 4.543 50 0 EJAARN O=C(CCc1ccc(Br)cc1)c1cc(F)cc(F)c1 ZINC000002517207 563437700 /nfs/dbraw/zinc/43/77/00/563437700.db2.gz GNCIFAWSDMWMSK-UHFFFAOYSA-N 0 0 325.152 4.543 50 0 EJAARN Brc1ccc(-c2cn3c4ccccc4sc3n2)cc1 ZINC000000023693 563211491 /nfs/dbraw/zinc/21/14/91/563211491.db2.gz KEPQCZGPWRNPCZ-UHFFFAOYSA-N 0 0 329.222 4.979 50 0 EJAARN COc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 ZINC000000072570 563215778 /nfs/dbraw/zinc/21/57/78/563215778.db2.gz GXHDSIKFNYDCCZ-UHFFFAOYSA-N 0 0 344.370 4.756 50 0 EJAARN O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1cccs1 ZINC000000081176 563218496 /nfs/dbraw/zinc/21/84/96/563218496.db2.gz WRPHEMPLWHCENI-UHFFFAOYSA-N 0 0 338.363 4.948 50 0 EJAARN Cc1cc2nc(SCc3cc4c(cc3Cl)OCO4)[nH]c2cc1C ZINC000000084194 563219716 /nfs/dbraw/zinc/21/97/16/563219716.db2.gz NFXVWBIMYSCZHS-UHFFFAOYSA-N 0 0 346.839 4.854 50 0 EJAARN C[C@@H]1CCc2sc3ncnc(Nc4ccc(N(C)C)cc4)c3c2C1 ZINC000000085750 563219967 /nfs/dbraw/zinc/21/99/67/563219967.db2.gz IHNPNYIENBLEFY-GFCCVEGCSA-N 0 0 338.480 4.626 50 0 EJAARN CCOC(=O)c1c(NC(=O)C2CCCC2)sc2c1CC[C@@H](CC)C2 ZINC000000086300 563220431 /nfs/dbraw/zinc/22/04/31/563220431.db2.gz DVGFOAMYKMCTFV-GFCCVEGCSA-N 0 0 349.496 4.568 50 0 EJAARN Cc1cc2ncn(-c3nc(C)nc4sc5c(c43)CCCC5)c2cc1C ZINC000000091425 563222436 /nfs/dbraw/zinc/22/24/36/563222436.db2.gz YYPWWDGSZHLGPF-UHFFFAOYSA-N 0 0 348.475 4.834 50 0 EJAARN Cc1cc(O)c(C(C)C)cc1NC(=O)c1ccccc1Br ZINC000000092353 563222784 /nfs/dbraw/zinc/22/27/84/563222784.db2.gz QPPHQNQUJAJWPR-UHFFFAOYSA-N 0 0 348.240 4.839 50 0 EJAARN Cc1ccc(-c2noc(COc3cc(C)c(Cl)c(C)c3)n2)cc1 ZINC000000091987 563222789 /nfs/dbraw/zinc/22/27/89/563222789.db2.gz ZIWHGJKXJGZRHK-UHFFFAOYSA-N 0 0 328.799 4.894 50 0 EJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](C)c1ccccc1 ZINC000000095067 563223832 /nfs/dbraw/zinc/22/38/32/563223832.db2.gz CINTUKOCOXPCRV-LBPRGKRZSA-N 0 0 340.810 4.794 50 0 EJAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccccc3C)cc12 ZINC000000096544 563224216 /nfs/dbraw/zinc/22/42/16/563224216.db2.gz KBKSZPSRIFRQJL-UHFFFAOYSA-N 0 0 347.443 4.956 50 0 EJAARN CC(C)(C)NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000000098732 563225372 /nfs/dbraw/zinc/22/53/72/563225372.db2.gz IJLOFHQDALMYOZ-UHFFFAOYSA-N 0 0 328.256 4.644 50 0 EJAARN COc1ccc(C(=O)C[C@@H](C(=O)c2ccccc2)c2ccccc2)cc1 ZINC000000103821 563226548 /nfs/dbraw/zinc/22/65/48/563226548.db2.gz PILVPZIUEXBKLT-OAQYLSRUSA-N 0 0 344.410 4.935 50 0 EJAARN C[C@H]1OCN(c2ccc(Cl)cc2)Cn2c3cc(Cl)ccc3nc21 ZINC000000104399 563226926 /nfs/dbraw/zinc/22/69/26/563226926.db2.gz NHRIHYPRAMUVFB-LLVKDONJSA-N 0 0 348.233 4.856 50 0 EJAARN COc1ccc2c(c1)CC[C@H]1C2=NN(C)[C@@H]1c1ccc(C(C)C)cc1 ZINC000000105098 563227684 /nfs/dbraw/zinc/22/76/84/563227684.db2.gz IRIXLCSAIUEHPF-RBBKRZOGSA-N 0 0 334.463 4.772 50 0 EJAARN CC1CCN(C(=O)Oc2c(Cl)cc(Cl)c3cccnc32)CC1 ZINC000000106603 563227856 /nfs/dbraw/zinc/22/78/56/563227856.db2.gz HSGDQUKXSPNONK-UHFFFAOYSA-N 0 0 339.222 4.772 50 0 EJAARN Cc1cc(-c2noc(C(C)(C)C)n2)cc(-c2noc(C(C)(C)C)n2)c1 ZINC000000109805 563229280 /nfs/dbraw/zinc/22/92/80/563229280.db2.gz DVXASGCXIRYBOX-UHFFFAOYSA-N 0 0 340.427 4.690 50 0 EJAARN CC(C)(C)C(=O)OCc1nc(-c2ccc(OC(F)F)cc2)cs1 ZINC000000114071 563231150 /nfs/dbraw/zinc/23/11/50/563231150.db2.gz DKPXVZDBWSSLJF-UHFFFAOYSA-N 0 0 341.379 4.501 50 0 EJAARN CCC[C@@H]1C[C@](C)(c2csc(Nc3ccc(C)cc3)n2)OC1=O ZINC000000114934 563231368 /nfs/dbraw/zinc/23/13/68/563231368.db2.gz DQCZCIOEXSBBNB-FZKQIMNGSA-N 0 0 330.453 4.774 50 0 biogenic EJAARN CCc1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2)cc1 ZINC000000116542 563232105 /nfs/dbraw/zinc/23/21/05/563232105.db2.gz ONIFPLYTSKCNQY-UHFFFAOYSA-N 0 0 331.415 4.934 50 0 EJAARN CSc1nc2sc3c(c2c2nnc(C)n21)CC[C@@H](C(C)(C)C)C3 ZINC000000118002 563232890 /nfs/dbraw/zinc/23/28/90/563232890.db2.gz RNWLYPCFSGDYNA-SNVBAGLBSA-N 0 0 346.525 4.520 50 0 EJAARN Cc1ccc(C(=O)Sc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000000122938 563235545 /nfs/dbraw/zinc/23/55/45/563235545.db2.gz PUSVSFICQINHGX-UHFFFAOYSA-N 0 0 331.746 4.995 50 0 EJAARN Cc1cccc(C(=O)Nc2nc3ccc(Br)cc3s2)c1 ZINC000000126814 563236874 /nfs/dbraw/zinc/23/68/74/563236874.db2.gz AXTVOEKIJDGCJX-UHFFFAOYSA-N 0 0 347.237 4.620 50 0 EJAARN CC(=O)[C@H](C)Sc1ncnc2scc(-c3ccc(C)cc3)c21 ZINC000000132316 563239075 /nfs/dbraw/zinc/23/90/75/563239075.db2.gz JFJGRQQCHKGYSZ-LBPRGKRZSA-N 0 0 328.462 4.736 50 0 EJAARN Cc1ccc2nc(NC(=O)Cc3cccc4ccccc43)sc2c1 ZINC000000136927 563240727 /nfs/dbraw/zinc/24/07/27/563240727.db2.gz BBSUYTNFGVIMCV-UHFFFAOYSA-N 0 0 332.428 4.939 50 0 EJAARN c1sc2ncnc(Nc3ccc4c(c3)OCO4)c2c1-c1ccccc1 ZINC000000137146 563240749 /nfs/dbraw/zinc/24/07/49/563240749.db2.gz PXDKPQIABWMZSL-UHFFFAOYSA-N 0 0 347.399 4.831 50 0 EJAARN COc1ccc(-c2cnc(-c3ccc(Br)cc3)o2)cc1 ZINC000000137023 563240762 /nfs/dbraw/zinc/24/07/62/563240762.db2.gz NNZBDYNPARNJNQ-UHFFFAOYSA-N 0 0 330.181 4.780 50 0 EJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Oc1ccccc1 ZINC000000140760 563241885 /nfs/dbraw/zinc/24/18/85/563241885.db2.gz OHVHZBXWUUMIJQ-UHFFFAOYSA-N 0 0 331.730 4.662 50 0 EJAARN CC(=O)c1cccc(NC(=O)C=Cc2c(Cl)cccc2Cl)c1 ZINC000000147127 563244793 /nfs/dbraw/zinc/24/47/93/563244793.db2.gz LFOMTLITDFZUTI-CMDGGOBGSA-N 0 0 334.202 4.848 50 0 EJAARN CCCc1c(C(=O)Nc2ccc(F)cc2C)cnn1-c1ccccc1 ZINC000000147308 563244846 /nfs/dbraw/zinc/24/48/46/563244846.db2.gz ZDSITHVXPMNCQS-UHFFFAOYSA-N 0 0 337.398 4.525 50 0 EJAARN Clc1cccc(-c2nc3ccccc3c(NC[C@H]3CCCO3)n2)c1 ZINC000000149816 563245760 /nfs/dbraw/zinc/24/57/60/563245760.db2.gz RBTNVMZRDIIANW-OAHLLOKOSA-N 0 0 339.826 4.541 50 0 EJAARN CCOc1ccccc1-c1csc(NC(=O)c2cccs2)n1 ZINC000000151135 563246049 /nfs/dbraw/zinc/24/60/49/563246049.db2.gz IGAREGVQTHUWTC-UHFFFAOYSA-N 0 0 330.434 4.523 50 0 EJAARN O=C(Nc1ccccc1)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000000152806 563246717 /nfs/dbraw/zinc/24/67/17/563246717.db2.gz HSBABDCPWMXWQN-UHFFFAOYSA-N 0 0 346.312 4.535 50 0 EJAARN Cc1ccc(NC(=O)Nc2ccc(C(F)(F)F)cn2)cc1Cl ZINC000000155618 563247809 /nfs/dbraw/zinc/24/78/09/563247809.db2.gz WGDBSXCHRFPVSL-UHFFFAOYSA-N 0 0 329.709 4.706 50 0 EJAARN O=C(NCC1CC1)c1ccc(Oc2cc(Cl)cc(Cl)c2)o1 ZINC000000155708 563247821 /nfs/dbraw/zinc/24/78/21/563247821.db2.gz XIZBCNVDDOYDSQ-UHFFFAOYSA-N 0 0 326.179 4.519 50 0 EJAARN CC1(C)CN=C(N(C(=O)Nc2ccccc2)c2ccccc2F)S1 ZINC000000162109 563248954 /nfs/dbraw/zinc/24/89/54/563248954.db2.gz IHTIZRQXLNRVPB-UHFFFAOYSA-N 0 0 343.427 4.746 50 0 EJAARN CC(C)(C)c1ccc(-c2cc(NC(=O)c3ccccc3F)n[nH]2)cc1 ZINC000000165809 563249692 /nfs/dbraw/zinc/24/96/92/563249692.db2.gz XAJJEWKCJJWPMX-UHFFFAOYSA-N 0 0 337.398 4.766 50 0 EJAARN CC(C)(C)c1cc2nc(C(F)(F)F)cc(Oc3ccccc3)n2n1 ZINC000000169866 563250922 /nfs/dbraw/zinc/25/09/22/563250922.db2.gz UZTGYYXTRDWUAK-UHFFFAOYSA-N 0 0 335.329 4.838 50 0 EJAARN COc1ccc(-c2noc(-c3ccccc3)n2)cc1OC1CCCC1 ZINC000000171014 563251309 /nfs/dbraw/zinc/25/13/09/563251309.db2.gz MUQXDZLHLQGUAA-UHFFFAOYSA-N 0 0 336.391 4.734 50 0 EJAARN Cc1cc2nc(-c3cccc(NC(=O)c4ccco4)c3)oc2c(C)c1 ZINC000000172551 563252005 /nfs/dbraw/zinc/25/20/05/563252005.db2.gz BVSXPQLABYPFPX-UHFFFAOYSA-N 0 0 332.359 4.957 50 0 EJAARN COc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(OC)c1 ZINC000000176160 563252930 /nfs/dbraw/zinc/25/29/30/563252930.db2.gz DZTQIKMNRRZWPC-UHFFFAOYSA-N 0 0 347.823 4.824 50 0 EJAARN Cc1ccc(NC[C@H](O)Cn2c3ccccc3c3ccccc32)cc1 ZINC000000177090 563253390 /nfs/dbraw/zinc/25/33/90/563253390.db2.gz GZSLFJIYPFYCCU-SFHVURJKSA-N 0 0 330.431 4.576 50 0 EJAARN O=c1oc(-c2ccc(F)cc2)nc2scc(-c3cccs3)c21 ZINC000000181307 563254142 /nfs/dbraw/zinc/25/41/42/563254142.db2.gz VAHUJWFHAYAAOJ-UHFFFAOYSA-N 0 0 329.377 4.784 50 0 EJAARN Cc1ccccc1C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000000190411 563256201 /nfs/dbraw/zinc/25/62/01/563256201.db2.gz WAZUSCRJGATZGG-UHFFFAOYSA-N 0 0 327.387 4.791 50 0 EJAARN Cc1ccc2nc(-c3ccc(NC(=O)C(F)(F)F)cc3)sc2c1 ZINC000000198250 563258371 /nfs/dbraw/zinc/25/83/71/563258371.db2.gz SGUUFUYIWSZBTI-UHFFFAOYSA-N 0 0 336.338 4.773 50 0 EJAARN FC(F)(F)c1cc(-c2ccccc2)nc(NCCc2ccccc2)n1 ZINC000000213190 563261215 /nfs/dbraw/zinc/26/12/15/563261215.db2.gz VTFXTQJESGPIEO-UHFFFAOYSA-N 0 0 343.352 4.817 50 0 EJAARN COc1ccccc1-c1nc2ccccc2nc1-c1ccccc1OC ZINC000000260769 563268105 /nfs/dbraw/zinc/26/81/05/563268105.db2.gz NVDKWWZFPXPNLF-UHFFFAOYSA-N 0 0 342.398 4.981 50 0 EJAARN CC[C@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccc(Cl)cc1 ZINC000000299337 563275341 /nfs/dbraw/zinc/27/53/41/563275341.db2.gz DLSSXINRRKDNSR-HNNXBMFYSA-N 0 0 345.855 4.726 50 0 EJAARN C[C@H]1CCc2c(sc3nc(SCc4ccccc4)nc(N)c32)C1 ZINC000000302461 563275984 /nfs/dbraw/zinc/27/59/84/563275984.db2.gz LVJLRIIHIKELQF-NSHDSACASA-N 0 0 341.505 4.691 50 0 EJAARN CCc1cc2c(cc1OC)occ(Oc1ccc(Cl)cc1)c2=O ZINC000000307979 563278833 /nfs/dbraw/zinc/27/88/33/563278833.db2.gz FNCLBUNDRLUMDR-UHFFFAOYSA-N 0 0 330.767 4.810 50 0 EJAARN CC(=O)c1c(C)cc(C)c(CSCC(=O)Nc2ccccc2)c1C ZINC000000309401 563279421 /nfs/dbraw/zinc/27/94/21/563279421.db2.gz OGETUGGKKWFDRT-UHFFFAOYSA-N 0 0 341.476 4.686 50 0 EJAARN CC1CCC2(CC1)Nc1ccccc1C(=O)N2CCc1ccccc1 ZINC000000309855 563279836 /nfs/dbraw/zinc/27/98/36/563279836.db2.gz JKLSWXFQZRMQIA-UHFFFAOYSA-N 0 0 334.463 4.703 50 0 EJAARN CC1(C)[C@@]2(C(=O)Nc3cc(Cl)ccc3Cl)CC[C@]1(C)C(=O)C2 ZINC000000309643 563279892 /nfs/dbraw/zinc/27/98/92/563279892.db2.gz PFWDTZXZKWFNGJ-SJORKVTESA-N 0 0 340.250 4.717 50 0 EJAARN O=C(Nc1ccc(F)cc1F)c1cccc(OCc2ccccc2)c1 ZINC000000309909 563280324 /nfs/dbraw/zinc/28/03/24/563280324.db2.gz LPSJPHJVOGRTMQ-UHFFFAOYSA-N 0 0 339.341 4.796 50 0 EJAARN Cc1cc(Cl)ccc1NC(=O)COc1ccc2c(c1)CCCC2 ZINC000000312718 563281711 /nfs/dbraw/zinc/28/17/11/563281711.db2.gz UYHLOUBNYWCLFE-UHFFFAOYSA-N 0 0 329.827 4.545 50 0 EJAARN CCOC(=O)c1c(NC(=O)C(C)C)sc(CC)c1-c1ccccc1 ZINC000000313999 563282041 /nfs/dbraw/zinc/28/20/41/563282041.db2.gz CBKPSWRBAGCWFU-UHFFFAOYSA-N 0 0 345.464 4.749 50 0 EJAARN Cc1c(C=O)c2ccccc2n1Cc1ccc(Br)cc1 ZINC000000333941 563285346 /nfs/dbraw/zinc/28/53/46/563285346.db2.gz SXDHCAHQCOMRKX-UHFFFAOYSA-N 0 0 328.209 4.573 50 0 EJAARN CN(C)c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000000340294 563285944 /nfs/dbraw/zinc/28/59/44/563285944.db2.gz MJTNDKYNEVVKPH-UHFFFAOYSA-N 0 0 330.431 4.523 50 0 EJAARN C=C(c1cn(C(C)=O)c2ccccc12)c1cn(C(C)=O)c2ccccc12 ZINC000000344361 563287285 /nfs/dbraw/zinc/28/72/85/563287285.db2.gz NUWOKANBIFXVGS-UHFFFAOYSA-N 0 0 342.398 4.978 50 0 EJAARN O=C(C[C@@H](O)c1cccn(-c2ccccc2)c1=S)c1ccccc1 ZINC000000344302 563287306 /nfs/dbraw/zinc/28/73/06/563287306.db2.gz QTSKZJJRBDQGJG-LJQANCHMSA-N 0 0 335.428 4.513 50 0 EJAARN Ic1ccc2c(c1)C=Cc1ccccc1S2 ZINC000000347332 563287989 /nfs/dbraw/zinc/28/79/89/563287989.db2.gz OZXIKHLKDRSLAR-UHFFFAOYSA-N 0 0 336.197 4.926 50 0 EJAARN COc1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)cc1 ZINC000000351959 563289803 /nfs/dbraw/zinc/28/98/03/563289803.db2.gz OEGROYNDLLHXGP-UHFFFAOYSA-N 0 0 331.371 4.776 50 0 EJAARN O=C(O[C@@H](c1ccccc1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000000352472 563290125 /nfs/dbraw/zinc/29/01/25/563290125.db2.gz CDFHHEIBQKAUJL-ZDUSSCGKSA-N 0 0 329.610 4.955 50 0 EJAARN CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)cc1 ZINC000000354429 563290838 /nfs/dbraw/zinc/29/08/38/563290838.db2.gz HROMQDGFIJITBS-UHFFFAOYSA-N 0 0 339.460 4.938 50 0 EJAARN O=C(c1sc2cc(F)ccc2c1Cl)N1CCc2ccccc21 ZINC000000355739 563291137 /nfs/dbraw/zinc/29/11/37/563291137.db2.gz JBNMUYGXXZABNT-UHFFFAOYSA-N 0 0 331.799 4.897 50 0 EJAARN CC(C)c1ccccc1NC(=S)NC(=O)c1ccccc1Cl ZINC000000359495 563292559 /nfs/dbraw/zinc/29/25/59/563292559.db2.gz MSHPTBHTTHYHJQ-UHFFFAOYSA-N 0 0 332.856 4.590 50 0 EJAARN C[C@H](C(=O)Nc1ccccc1)c1cccc(C(=O)c2ccccc2)c1 ZINC000000363661 563294989 /nfs/dbraw/zinc/29/49/89/563294989.db2.gz HYKIQLBXJFFPKJ-INIZCTEOSA-N 0 0 329.399 4.660 50 0 EJAARN COc1ccc(CCCC(=O)Nc2ccc(Cl)cc2C)cc1C ZINC000000366325 563296628 /nfs/dbraw/zinc/29/66/28/563296628.db2.gz IBCMAVWHOAARKG-UHFFFAOYSA-N 0 0 331.843 4.927 50 0 EJAARN Cc1ccc(-c2nnc(-c3cccc(NC(=O)CC(C)C)c3)o2)cc1 ZINC000000367752 563296741 /nfs/dbraw/zinc/29/67/41/563296741.db2.gz HPYSCMHMQKFAIJ-UHFFFAOYSA-N 0 0 335.407 4.697 50 0 EJAARN CCN(CC)c1ccc(NC(=O)c2cc(Cl)ccc2OC)c(C)c1 ZINC000000368327 563297266 /nfs/dbraw/zinc/29/72/66/563297266.db2.gz RDUBDLBMLJIHJO-UHFFFAOYSA-N 0 0 346.858 4.756 50 0 EJAARN O=C(Nc1nccs1)c1ccc(COc2ccc(Cl)cc2)cc1 ZINC000000372166 563297826 /nfs/dbraw/zinc/29/78/26/563297826.db2.gz RUDBCCJWNHZMMC-UHFFFAOYSA-N 0 0 344.823 4.628 50 0 EJAARN COc1cc(C(=O)Nc2cc(Cl)ccc2C)ccc1OC(F)F ZINC000000374352 563298526 /nfs/dbraw/zinc/29/85/26/563298526.db2.gz AOCKCSHMVPQAFQ-UHFFFAOYSA-N 0 0 341.741 4.511 50 0 EJAARN Cc1ccc(-c2csc(NC(=O)Cc3ccc(Cl)cc3)n2)cc1 ZINC000000375234 563298753 /nfs/dbraw/zinc/29/87/53/563298753.db2.gz HAGRJEOUIUDYMV-UHFFFAOYSA-N 0 0 342.851 4.953 50 0 EJAARN Cc1cc2n(n1)[C@@H](c1c(F)cccc1Cl)Nc1ccc(C)cc1-2 ZINC000000382419 563300352 /nfs/dbraw/zinc/30/03/52/563300352.db2.gz OSBPOEQXJAIXEO-SFHVURJKSA-N 0 0 327.790 4.932 50 0 EJAARN O=C(Oc1ccc(C(=O)c2ccccc2)cc1)c1cccc(Cl)c1 ZINC000000385919 563302556 /nfs/dbraw/zinc/30/25/56/563302556.db2.gz ZOGHEWHQJBWFIM-UHFFFAOYSA-N 0 0 336.774 4.790 50 0 EJAARN Cc1cc(C(C)(C)C)cc(C)c1CSc1ncnc2[nH]cnc21 ZINC000000386467 563303143 /nfs/dbraw/zinc/30/31/43/563303143.db2.gz NSYXQZGCPBFVOA-UHFFFAOYSA-N 0 0 326.469 4.560 50 0 EJAARN Cc1cc(=O)oc2cc(OCc3ccc(Cl)cc3Cl)ccc12 ZINC000000407124 563306958 /nfs/dbraw/zinc/30/69/58/563306958.db2.gz XVOHLKXOXIWZDG-UHFFFAOYSA-N 0 0 335.186 4.987 50 0 EJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ncccc1Cl ZINC000000433883 563312132 /nfs/dbraw/zinc/31/21/32/563312132.db2.gz XVWREJZINJMECU-UHFFFAOYSA-N 0 0 348.189 4.604 50 0 EJAARN CCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1OCC ZINC000000434639 563312626 /nfs/dbraw/zinc/31/26/26/563312626.db2.gz ZYYCOESSKDMMML-UHFFFAOYSA-N 0 0 333.815 4.698 50 0 EJAARN Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)c(C)c2)c1 ZINC000000435005 563312647 /nfs/dbraw/zinc/31/26/47/563312647.db2.gz QTGCYMOYQIUQDI-UHFFFAOYSA-N 0 0 344.414 4.808 50 0 EJAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(Br)o1 ZINC000000442383 563314482 /nfs/dbraw/zinc/31/44/82/563314482.db2.gz KZFRWSLLEHVKOE-UHFFFAOYSA-N 0 0 334.984 4.601 50 0 EJAARN CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000000443248 563315050 /nfs/dbraw/zinc/31/50/50/563315050.db2.gz VTDGWCGVSSRAKI-INIZCTEOSA-N 0 0 335.234 4.970 50 0 EJAARN O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1cccc2cccnc21 ZINC000000443018 563315070 /nfs/dbraw/zinc/31/50/70/563315070.db2.gz RAIFXIFGIQZZFC-MDZDMXLPSA-N 0 0 342.320 4.906 50 0 EJAARN Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)cc1 ZINC000000448726 563318461 /nfs/dbraw/zinc/31/84/61/563318461.db2.gz XNSAOZMXCSGRDM-UHFFFAOYSA-N 0 0 344.414 4.808 50 0 EJAARN O=C(NC(=S)Nc1ccc2ccccc2c1)c1ccccc1Cl ZINC000000449762 563319114 /nfs/dbraw/zinc/31/91/14/563319114.db2.gz JCBCPLKXVZXXGC-UHFFFAOYSA-N 0 0 340.835 4.620 50 0 EJAARN CCC[C@H](C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000000449825 563319133 /nfs/dbraw/zinc/31/91/33/563319133.db2.gz UDAYKGQFPPCRNU-ZDUSSCGKSA-N 0 0 329.827 4.946 50 0 EJAARN COc1ccc([C@H](NC(=S)Nc2ccccc2)c2ccccc2)cc1 ZINC000000450464 563319282 /nfs/dbraw/zinc/31/92/82/563319282.db2.gz XSRLWYZJWWXFDG-HXUWFJFHSA-N 0 0 348.471 4.771 50 0 EJAARN O=C1O[C@H](c2ccccc2)C2(CCCCC2)C(=O)C12CCCCC2 ZINC000000450914 563320048 /nfs/dbraw/zinc/32/00/48/563320048.db2.gz NYAMEJNMRAEZKM-QGZVFWFLSA-N 0 0 326.436 4.755 50 0 EJAARN Cc1ccc(Nc2nc([C@@H]3C[C@H](CC(C)C)C(=O)O3)cs2)cc1 ZINC000000452120 563321018 /nfs/dbraw/zinc/32/10/18/563321018.db2.gz KIDKKXHDUVCMNA-BBRMVZONSA-N 0 0 330.453 4.845 50 0 EJAARN CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2ccccc2C)cc1 ZINC000000452691 563321403 /nfs/dbraw/zinc/32/14/03/563321403.db2.gz OSZHIMVWMCPDOC-CYBMUJFWSA-N 0 0 326.465 4.635 50 0 EJAARN O=Cc1cc(Cl)c(OCc2ccccc2F)c(Br)c1 ZINC000000453622 563322293 /nfs/dbraw/zinc/32/22/93/563322293.db2.gz PLTGTYBEEUOCKG-UHFFFAOYSA-N 0 0 343.579 4.633 50 0 EJAARN Cc1ccc(C)c(NC(=S)NC(=O)c2cccc3ccccc32)c1 ZINC000000453823 563322210 /nfs/dbraw/zinc/32/22/10/563322210.db2.gz GSKNNWJDTSPSSZ-UHFFFAOYSA-N 0 0 334.444 4.583 50 0 EJAARN Cc1c(C)c(=O)oc2c(C)c(OCc3ccc(Cl)cc3)ccc12 ZINC000000453812 563322319 /nfs/dbraw/zinc/32/23/19/563322319.db2.gz KWDVPGLJXFGGNF-UHFFFAOYSA-N 0 0 328.795 4.951 50 0 EJAARN Cc1cc(OCC(=O)Nc2ccc(Cl)cc2Cl)ccc1Cl ZINC000000455307 563323520 /nfs/dbraw/zinc/32/35/20/563323520.db2.gz DPJSOEUDQLBXEU-UHFFFAOYSA-N 0 0 344.625 4.973 50 0 EJAARN COc1cc(SC)ccc1C(=O)Nc1cccc(Cl)c1Cl ZINC000000457226 563324850 /nfs/dbraw/zinc/32/48/50/563324850.db2.gz WQIQRVSDADIWJH-UHFFFAOYSA-N 0 0 342.247 4.976 50 0 EJAARN Cc1c(C)c2ccc(OCc3ccc(F)cc3Cl)cc2oc1=O ZINC000000459072 563325438 /nfs/dbraw/zinc/32/54/38/563325438.db2.gz LTCYYYJUAUVWTR-UHFFFAOYSA-N 0 0 332.758 4.781 50 0 EJAARN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccccc1Cl ZINC000000459719 563325903 /nfs/dbraw/zinc/32/59/03/563325903.db2.gz ZWAAVWQTDJULSJ-UHFFFAOYSA-N 0 0 344.625 4.973 50 0 EJAARN CC(C(=O)NCc1ccccc1Cl)(c1ccccc1)c1ccccc1 ZINC000000463497 563327408 /nfs/dbraw/zinc/32/74/08/563327408.db2.gz HTNXFEVAIOLGJF-UHFFFAOYSA-N 0 0 349.861 4.962 50 0 EJAARN C[C@H](C(=O)Nc1ccc(Br)c(Cl)c1)c1ccccc1 ZINC000000466349 563328508 /nfs/dbraw/zinc/32/85/08/563328508.db2.gz JQGRDGDZXSCURJ-JTQLQIEISA-N 0 0 338.632 4.845 50 0 EJAARN S=C(NCc1ccccc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000000468022 563329447 /nfs/dbraw/zinc/32/94/47/563329447.db2.gz AXOHIEYMEXOWCO-UHFFFAOYSA-N 0 0 334.444 4.966 50 0 EJAARN CCSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 ZINC000000469510 563330156 /nfs/dbraw/zinc/33/01/56/563330156.db2.gz XMUFKMROGWLNPI-UHFFFAOYSA-N 0 0 329.856 4.624 50 0 EJAARN O=C(COc1ccc(F)cc1)N1c2ccccc2CCc2ccccc21 ZINC000000471328 563331471 /nfs/dbraw/zinc/33/14/71/563331471.db2.gz TUDLQUXPHLQZOY-UHFFFAOYSA-N 0 0 347.389 4.668 50 0 EJAARN Cc1cc(Br)ccc1Oc1ccc(C(F)(F)F)cn1 ZINC000000471694 563332005 /nfs/dbraw/zinc/33/20/05/563332005.db2.gz RDTSQWPPLGFNMS-UHFFFAOYSA-N 0 0 332.119 4.964 50 0 EJAARN Cc1ccc(C(=O)Nc2cccc(-c3cn4ccsc4n3)c2)cc1 ZINC000000472314 563332139 /nfs/dbraw/zinc/33/21/39/563332139.db2.gz VCHZIWSVDXHGKY-UHFFFAOYSA-N 0 0 333.416 4.624 50 0 EJAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000000473576 563332872 /nfs/dbraw/zinc/33/28/72/563332872.db2.gz AKGBJKRZMCUKPC-UHFFFAOYSA-N 0 0 335.513 4.688 50 0 EJAARN CCc1cccc(CC)c1NC(=O)COc1ccc2ccccc2c1 ZINC000000474286 563333211 /nfs/dbraw/zinc/33/32/11/563333211.db2.gz QZZCOKYVTVSGIV-UHFFFAOYSA-N 0 0 333.431 4.982 50 0 EJAARN c1ccc2c(c1)[nH]c1nc(SCc3cccc4ccccc43)nnc21 ZINC000000474716 563333511 /nfs/dbraw/zinc/33/35/11/563333511.db2.gz QVUXXCHZEHPECX-UHFFFAOYSA-N 0 0 342.427 4.952 50 0 EJAARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000000475025 563333531 /nfs/dbraw/zinc/33/35/31/563333531.db2.gz LQNKCMODUIRGHU-HOTGVXAUSA-N 0 0 345.870 4.553 50 0 EJAARN C[C@H](CCc1ccccc1)NC(=O)/C=C/c1c(F)cccc1Cl ZINC000000476491 563334432 /nfs/dbraw/zinc/33/44/32/563334432.db2.gz GMWHDGRCVUGDSJ-XTZCOPOCSA-N 0 0 331.818 4.630 50 0 EJAARN Cc1ccc(C(=O)[C@@H](OC(=O)c2cccs2)c2ccccc2)cc1 ZINC000000477775 563335383 /nfs/dbraw/zinc/33/53/83/563335383.db2.gz COWYIKFWYVGOHS-IBGZPJMESA-N 0 0 336.412 4.838 50 0 EJAARN Cc1ccc(OCc2ccc(C(=O)OCc3ccccc3)cc2)cc1 ZINC000000482426 563337144 /nfs/dbraw/zinc/33/71/44/563337144.db2.gz NLCSMECMDGWGFB-UHFFFAOYSA-N 0 0 332.399 4.931 50 0 EJAARN CCc1c(C)sc(NC(=O)[C@@H](CC)c2ccccc2)c1C(=O)OC ZINC000000482750 563337357 /nfs/dbraw/zinc/33/73/57/563337357.db2.gz OPZDTLISSYODLP-HNNXBMFYSA-N 0 0 345.464 4.538 50 0 EJAARN CCCC(=O)Nc1ccccc1NC(=O)c1cccc2ccccc21 ZINC000000496781 563338645 /nfs/dbraw/zinc/33/86/45/563338645.db2.gz GTJMANAOZVUVRF-UHFFFAOYSA-N 0 0 332.403 4.831 50 0 EJAARN Nc1nc(SCc2ccccc2)nc2sc3c(c21)CCCCC3 ZINC000000503724 563339253 /nfs/dbraw/zinc/33/92/53/563339253.db2.gz BXZDHKDNEVEAFN-UHFFFAOYSA-N 0 0 341.505 4.835 50 0 EJAARN CCc1cc2c(cc1OC)occ(-c1nc3ccccc3s1)c2=O ZINC000000504049 563339264 /nfs/dbraw/zinc/33/92/64/563339264.db2.gz CUEWAEZXTBDTAY-UHFFFAOYSA-N 0 0 337.400 4.641 50 0 EJAARN Clc1cccc(-c2nn3c(nnc3-c3cccc(Cl)c3)s2)c1 ZINC000000525909 563341353 /nfs/dbraw/zinc/34/13/53/563341353.db2.gz FJIWDRNZICEQSQ-UHFFFAOYSA-N 0 0 347.230 4.827 50 0 EJAARN Clc1ccc(CSc2nnc(-c3ccncc3)o2)c(Cl)c1 ZINC000000527284 563341387 /nfs/dbraw/zinc/34/13/87/563341387.db2.gz OOXVVQWCARXVNF-UHFFFAOYSA-N 0 0 338.219 4.731 50 0 EJAARN COc1ccccc1C(=O)Oc1ccc2c(c1)[C@H](C)CC(C)(C)N2 ZINC000000537030 563343844 /nfs/dbraw/zinc/34/38/44/563343844.db2.gz NSUHOGVXTFHISN-CYBMUJFWSA-N 0 0 325.408 4.612 50 0 EJAARN O=C(Nc1cccc(Cl)c1N1CCCCC1)c1cccc(F)c1 ZINC000000556433 563345799 /nfs/dbraw/zinc/34/57/99/563345799.db2.gz VHGPXNLQAMHCOS-UHFFFAOYSA-N 0 0 332.806 4.722 50 0 EJAARN COc1ccc(-c2csc(NC(=O)c3cc(C)cc(C)c3)n2)cc1 ZINC000000558426 563346801 /nfs/dbraw/zinc/34/68/01/563346801.db2.gz CTRPXPSCFJZETF-UHFFFAOYSA-N 0 0 338.432 4.688 50 0 EJAARN COc1ccc(-c2noc(COc3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000000564163 563347556 /nfs/dbraw/zinc/34/75/56/563347556.db2.gz PSUXJYALTHTRBB-UHFFFAOYSA-N 0 0 338.407 4.622 50 0 EJAARN CCC(=O)Nc1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000000569594 563348773 /nfs/dbraw/zinc/34/87/73/563348773.db2.gz VKVNNMBMOZXZGA-UHFFFAOYSA-N 0 0 344.414 4.954 50 0 EJAARN Cc1cc(C)cc(OCC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000000570019 563348897 /nfs/dbraw/zinc/34/88/97/563348897.db2.gz RVSDQOCRSYKLJU-UHFFFAOYSA-N 0 0 343.426 4.892 50 0 EJAARN CC[C@H](C)Oc1ccc(C(=O)Nc2ccccc2N2CCCC2)cc1 ZINC000000569741 563348923 /nfs/dbraw/zinc/34/89/23/563348923.db2.gz XHPSUQYESSBGRK-INIZCTEOSA-N 0 0 338.451 4.716 50 0 EJAARN Cc1ccc(SCc2ccc(C(=O)NC3CCCC3)cc2)cc1 ZINC000000582132 563351497 /nfs/dbraw/zinc/35/14/97/563351497.db2.gz IBOUXDFJYYHMCE-UHFFFAOYSA-N 0 0 325.477 4.960 50 0 EJAARN O=C(COc1ccc(-c2ccccc2)cc1)NCCC1=CCCCC1 ZINC000000587169 563351710 /nfs/dbraw/zinc/35/17/10/563351710.db2.gz AWLZXQKWYOJMIB-UHFFFAOYSA-N 0 0 335.447 4.739 50 0 EJAARN CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000000613954 563356654 /nfs/dbraw/zinc/35/66/54/563356654.db2.gz YFCSATRLCOPWGF-OAHLLOKOSA-N 0 0 339.435 4.593 50 0 EJAARN CC(C)=CCOc1cc2oc(=O)cc(C)c2cc1OCC=C(C)C ZINC000000615062 563357775 /nfs/dbraw/zinc/35/77/75/563357775.db2.gz NHJFSHYNEDHTER-UHFFFAOYSA-N 0 0 328.408 4.791 50 0 biogenic EJAARN CC(C)=CCOc1ccc2c(C)cc(=O)oc2c1OCC=C(C)C ZINC000000615049 563357829 /nfs/dbraw/zinc/35/78/29/563357829.db2.gz AYSWDXURFBMSBB-UHFFFAOYSA-N 0 0 328.408 4.791 50 0 biogenic EJAARN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1OCC ZINC000000618448 563360287 /nfs/dbraw/zinc/36/02/87/563360287.db2.gz FHXUNEUMAXKIEV-UHFFFAOYSA-N 0 0 333.815 4.698 50 0 EJAARN COc1ccccc1NC(=S)Nc1ccc(Cl)cc1Cl ZINC000000618612 563360326 /nfs/dbraw/zinc/36/03/26/563360326.db2.gz RPRHEEFOPODUSV-UHFFFAOYSA-N 0 0 327.236 4.811 50 0 EJAARN CC(C)(C)C(=O)COc1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000000619017 563360730 /nfs/dbraw/zinc/36/07/30/563360730.db2.gz NBJNHWIEEKJAFK-UHFFFAOYSA-N 0 0 345.826 4.586 50 0 EJAARN COc1cccc(NC(=S)Nc2cccc(C(F)(F)F)c2)c1 ZINC000000619310 563360968 /nfs/dbraw/zinc/36/09/68/563360968.db2.gz MLZKPKJGEMQKSK-UHFFFAOYSA-N 0 0 326.343 4.523 50 0 EJAARN COc1ccccc1NC(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000000619871 563361432 /nfs/dbraw/zinc/36/14/32/563361432.db2.gz IJUKYDRVEWCRPC-UHFFFAOYSA-N 0 0 329.827 4.799 50 0 EJAARN COc1ccc2c(c1)occ(Oc1cc(C)c(Cl)c(C)c1)c2=O ZINC000000621720 563362374 /nfs/dbraw/zinc/36/23/74/563362374.db2.gz COWOVMKVTXDTEQ-UHFFFAOYSA-N 0 0 330.767 4.864 50 0 EJAARN O=C(Nc1cccc(O)c1)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC000000815117 563364177 /nfs/dbraw/zinc/36/41/77/563364177.db2.gz RJWREYOYBYVPRJ-UHFFFAOYSA-N 0 0 349.173 4.606 50 0 EJAARN O=C(Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)c1cccs1 ZINC000000858610 563364836 /nfs/dbraw/zinc/36/48/36/563364836.db2.gz RNFCDAVLOATCEH-UHFFFAOYSA-N 0 0 348.379 4.741 50 0 EJAARN Cc1cc(C)cc(NC(=S)NC(=O)c2ccc3ccccc3c2)c1 ZINC000000859053 563364853 /nfs/dbraw/zinc/36/48/53/563364853.db2.gz DPYCQDAMPWVMEE-UHFFFAOYSA-N 0 0 334.444 4.583 50 0 EJAARN Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)c1 ZINC000000858564 563364913 /nfs/dbraw/zinc/36/49/13/563364913.db2.gz ANAAVJGMQGJFBK-UHFFFAOYSA-N 0 0 328.843 4.891 50 0 EJAARN Fc1ccc(NC(=S)N[C@H]2CCCc3ccccc32)cc1Cl ZINC000000968793 563366715 /nfs/dbraw/zinc/36/67/15/563366715.db2.gz HUOFGHOYHVIJEU-INIZCTEOSA-N 0 0 334.847 4.843 50 0 EJAARN COc1cc(C)c(/C=C2/SC(=O)N(C(C)C)C2=O)cc1C(C)C ZINC000000981477 563367007 /nfs/dbraw/zinc/36/70/07/563367007.db2.gz UZXFBDBQEWGNLL-CXUHLZMHSA-N 0 0 333.453 4.572 50 0 EJAARN Cc1ccc(C(=O)COc2cccc(NC(=O)c3ccccc3)c2)cc1 ZINC000000993076 563367368 /nfs/dbraw/zinc/36/73/68/563367368.db2.gz DLQIOLNAJAIONX-UHFFFAOYSA-N 0 0 345.398 4.509 50 0 EJAARN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCc2ccccc21 ZINC000001001673 563367711 /nfs/dbraw/zinc/36/77/11/563367711.db2.gz KBWYGSSECXLYSO-OAQYLSRUSA-N 0 0 331.415 4.587 50 0 EJAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(F)cc2)o1 ZINC000001018757 563369070 /nfs/dbraw/zinc/36/90/70/563369070.db2.gz FKLZLVMZAXCPPU-GHTZIAJQSA-N 0 0 348.377 4.969 50 0 EJAARN O=C(C(c1ccccc1)c1ccccc1)N1CCCc2ccccc21 ZINC000001030453 563369387 /nfs/dbraw/zinc/36/93/87/563369387.db2.gz CHXXNDHWMQOOFN-UHFFFAOYSA-N 0 0 327.427 4.798 50 0 EJAARN CCOc1ccccc1NC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000001061323 563371813 /nfs/dbraw/zinc/37/18/13/563371813.db2.gz PSRNDKHMJUARMK-UHFFFAOYSA-N 0 0 325.339 4.737 50 0 EJAARN O=C1NC(=O)C(=Cc2ccccc2Sc2ccc(Cl)cc2)S1 ZINC000001059885 563371885 /nfs/dbraw/zinc/37/18/85/563371885.db2.gz RFSAWOQPBOWPJM-NTEUORMPSA-N 0 0 347.848 4.815 50 0 EJAARN Cc1cc2ncn(CCOc3cccc(C(F)(F)F)c3)c2cc1C ZINC000001066798 563372841 /nfs/dbraw/zinc/37/28/41/563372841.db2.gz AUJYTKZBVBJIMY-UHFFFAOYSA-N 0 0 334.341 4.751 50 0 EJAARN CC(=O)c1ccccc1OCc1ccc(C(=O)c2ccccc2)cc1 ZINC000001075305 563373566 /nfs/dbraw/zinc/37/35/66/563373566.db2.gz OWVXBNHIVJRULJ-UHFFFAOYSA-N 0 0 330.383 4.699 50 0 EJAARN Cc1ccc(/C=C/C(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000001116494 563375132 /nfs/dbraw/zinc/37/51/32/563375132.db2.gz ZBHRMOUHDQHBLL-WUKNDPDISA-N 0 0 327.427 4.914 50 0 EJAARN Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c1C ZINC000001109873 563375148 /nfs/dbraw/zinc/37/51/48/563375148.db2.gz NBRBRHXXFDWHMJ-UHFFFAOYSA-N 0 0 341.835 4.514 50 0 EJAARN O=C(c1ccc(-c2ccccc2)cc1)N1CC[C@H](c2ccccc2)C1 ZINC000001112908 563375288 /nfs/dbraw/zinc/37/52/88/563375288.db2.gz DWLAITCHDNQNGZ-QFIPXVFZSA-N 0 0 327.427 4.983 50 0 EJAARN O=C(Nc1ccc(F)c(Cl)c1)c1ccc2c3c(cccc31)CC2 ZINC000001123914 563375610 /nfs/dbraw/zinc/37/56/10/563375610.db2.gz QOFSBAARXFVAAJ-UHFFFAOYSA-N 0 0 325.770 4.983 50 0 EJAARN O=C(/C=C/c1ccccc1)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000001165009 563376956 /nfs/dbraw/zinc/37/69/56/563376956.db2.gz ZOQSJXCRHDJXHN-CCEZHUSRSA-N 0 0 327.383 4.570 50 0 EJAARN CCc1c(C)sc(NC(=O)C2CCCCC2)c1C(=O)OC(C)C ZINC000001217422 563379785 /nfs/dbraw/zinc/37/97/85/563379785.db2.gz BSZYHIBUSOIXKZ-UHFFFAOYSA-N 0 0 337.485 4.703 50 0 EJAARN O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1cccc2ccccc21 ZINC000001248510 563381252 /nfs/dbraw/zinc/38/12/52/563381252.db2.gz LIPBXJACEOFBKP-SFHVURJKSA-N 0 0 348.427 4.931 50 0 EJAARN COC(=O)c1cc2cc(NC(=O)c3ccccc3Cl)ccc2s1 ZINC000001392864 563386028 /nfs/dbraw/zinc/38/60/28/563386028.db2.gz CWELKWWSUQXPNR-UHFFFAOYSA-N 0 0 345.807 4.594 50 0 EJAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2)c1 ZINC000001431608 563388840 /nfs/dbraw/zinc/38/88/40/563388840.db2.gz BKPKEVGJQMLUGA-UHFFFAOYSA-N 0 0 336.435 4.766 50 0 EJAARN O=C(CC(CC(=O)c1ccccc1)c1ccccn1)c1ccccc1 ZINC000001587591 563394657 /nfs/dbraw/zinc/39/46/57/563394657.db2.gz ZQXGBLSJLHFSOS-UHFFFAOYSA-N 0 0 329.399 4.711 50 0 EJAARN CCCCOc1ccc(OC(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000001741666 563408945 /nfs/dbraw/zinc/40/89/45/563408945.db2.gz CDVYVSRCDDOMFI-UHFFFAOYSA-N 0 0 327.380 4.679 50 0 EJAARN CCCCCCC(=O)Nc1ncc(Cc2ccc(OC)cc2)s1 ZINC000001750924 563409493 /nfs/dbraw/zinc/40/94/93/563409493.db2.gz HFCDSOLZZPRHCM-UHFFFAOYSA-N 0 0 332.469 4.651 50 0 EJAARN Cc1ccc(OCCCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000001775874 563410883 /nfs/dbraw/zinc/41/08/83/563410883.db2.gz QXOAARNYPYZJSA-UHFFFAOYSA-N 0 0 348.240 4.555 50 0 EJAARN CCc1cccc(CC)c1NC(=O)CCCOc1cccc(C)c1 ZINC000001777370 563410943 /nfs/dbraw/zinc/41/09/43/563410943.db2.gz NDNPVOPFCRXMEA-UHFFFAOYSA-N 0 0 325.452 4.918 50 0 EJAARN Cc1cc(OCCCC(=O)N[C@@H](C)c2ccccc2)cc(C)c1Cl ZINC000001787139 563411913 /nfs/dbraw/zinc/41/19/13/563411913.db2.gz BVISZUCXZDGHRZ-INIZCTEOSA-N 0 0 345.870 4.993 50 0 EJAARN CC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)N1c1ccccc1 ZINC000002062672 563420927 /nfs/dbraw/zinc/42/09/27/563420927.db2.gz ITMWOAQPJMNDKV-JOCHJYFZSA-N 0 0 341.414 4.615 50 0 EJAARN CCCOC(=O)c1c(CC)c(C)sc1NC(=O)C1CCCCC1 ZINC000002101941 563422677 /nfs/dbraw/zinc/42/26/77/563422677.db2.gz AWOFZPLLKRIFID-UHFFFAOYSA-N 0 0 337.485 4.705 50 0 EJAARN Cc1ccc2[nH]cc(CCNC(=O)c3ccc(C(C)(C)C)cc3)c2c1 ZINC000002241164 563427690 /nfs/dbraw/zinc/42/76/90/563427690.db2.gz LAKGMAYEECMGEJ-UHFFFAOYSA-N 0 0 334.463 4.746 50 0 EJAARN O=C1O[C@@](Nc2ccc(Cl)cc2)(c2ccccc2)c2ccccc21 ZINC000002283314 563428419 /nfs/dbraw/zinc/42/84/19/563428419.db2.gz KENQCGZZRKGLIF-FQEVSTJZSA-N 0 0 335.790 4.824 50 0 EJAARN CC1CCN(c2cc(C(C)(C)C)nc3c(-c4ccccc4)cnn32)CC1 ZINC000002326161 563429398 /nfs/dbraw/zinc/42/93/98/563429398.db2.gz FRSHJFBGVUYPMW-UHFFFAOYSA-N 0 0 348.494 4.930 50 0 EJAARN CCCCCc1c(C)nc(Nc2cc(Cl)cc(Cl)c2)[nH]c1=O ZINC000002454383 563432727 /nfs/dbraw/zinc/43/27/27/563432727.db2.gz ADQLOCWREZZOPK-UHFFFAOYSA-N 0 0 340.254 4.861 50 0 EJAARN O=C(CCc1cc(F)c(F)c(F)c1)c1ccc(Br)cc1 ZINC000002517850 563438011 /nfs/dbraw/zinc/43/80/11/563438011.db2.gz HQXSLRAAZKFKKG-UHFFFAOYSA-N 0 0 343.142 4.682 50 0 EJAARN CC(C)(C)OC(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000002527473 563439703 /nfs/dbraw/zinc/43/97/03/563439703.db2.gz SDAPURUFUOOCTE-UHFFFAOYSA-N 0 0 340.261 4.564 50 0 EJAARN COc1ccc(/C=C/C(=O)Nc2cccc(C(F)(F)F)c2)cc1C ZINC000002546565 563440456 /nfs/dbraw/zinc/44/04/56/563440456.db2.gz LQAYLAGDOWZEOS-VQHVLOKHSA-N 0 0 335.325 4.674 50 0 EJAARN CC[C@H]1CCc2c(sc(N)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000002558440 563441169 /nfs/dbraw/zinc/44/11/69/563441169.db2.gz LOSHUPVZPCIQLZ-JTQLQIEISA-N 0 0 334.872 4.751 50 0 EJAARN CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 ZINC000002571685 563442543 /nfs/dbraw/zinc/44/25/43/563442543.db2.gz DUMRRRKOMBNVAR-UHFFFAOYSA-N 0 0 336.247 4.963 50 0 EJAARN CCCCCn1c(CCNC(=O)c2cccc(C)c2)nc2ccccc21 ZINC000002721455 563447019 /nfs/dbraw/zinc/44/70/19/563447019.db2.gz HLBVPDMVWVPUBA-UHFFFAOYSA-N 0 0 349.478 4.507 50 0 aggregator EJAARN O=C(NCCCCc1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000002741441 563448053 /nfs/dbraw/zinc/44/80/53/563448053.db2.gz IWCJXSGQXXEIAA-UHFFFAOYSA-N 0 0 343.470 4.958 50 0 EJAARN CCCCc1ccc(N2C(=S)N=NC2c2ccccc2F)cc1 ZINC000002741169 563448193 /nfs/dbraw/zinc/44/81/93/563448193.db2.gz BBDAVOJGDYWMKH-UHFFFAOYSA-N 0 0 327.428 4.705 50 0 EJAARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1cccc(C(F)(F)F)c1 ZINC000002752900 563448754 /nfs/dbraw/zinc/44/87/54/563448754.db2.gz KDMOVEXDMQZEPS-LLVKDONJSA-N 0 0 337.316 4.826 50 0 EJAARN Cc1cc(C)cc(NC(=O)c2ccc(COCC(F)(F)F)cc2)c1 ZINC000002750711 563448859 /nfs/dbraw/zinc/44/88/59/563448859.db2.gz RLPKADDSJSPDMT-UHFFFAOYSA-N 0 0 337.341 4.635 50 0 EJAARN Cc1ccnc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)c1 ZINC000002757174 563449063 /nfs/dbraw/zinc/44/90/63/563449063.db2.gz AAWFHBBQGNHLPO-UHFFFAOYSA-N 0 0 339.398 4.858 50 0 EJAARN Cc1ccccc1CSCCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000002813128 563451848 /nfs/dbraw/zinc/45/18/48/563451848.db2.gz VWHYTNDIUMPPJF-UHFFFAOYSA-N 0 0 341.520 4.956 50 0 EJAARN CC(C)[C@H](NC(=O)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1 ZINC000002827850 563453240 /nfs/dbraw/zinc/45/32/40/563453240.db2.gz ZODSOSGOEPUOBA-INIZCTEOSA-N 0 0 343.295 4.509 50 0 EJAARN C[C@@H](C(=O)Nc1ccc(Br)c(Cl)c1)c1ccccc1 ZINC000002833297 563453612 /nfs/dbraw/zinc/45/36/12/563453612.db2.gz JQGRDGDZXSCURJ-SNVBAGLBSA-N 0 0 338.632 4.845 50 0 EJAARN CCCOc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 ZINC000002832617 563453677 /nfs/dbraw/zinc/45/36/77/563453677.db2.gz SWPXGYJYVCRXBT-UHFFFAOYSA-N 0 0 347.842 4.925 50 0 EJAARN O=C(NCCc1c[nH]c2ccccc12)Nc1ccc(Cl)c(Cl)c1 ZINC000002839048 563454327 /nfs/dbraw/zinc/45/43/27/563454327.db2.gz JAWNRLZTUAFYAS-UHFFFAOYSA-N 0 0 348.233 4.839 50 0 EJAARN Cc1cc(C)cc(NC(=S)NC(=O)c2cccc3ccccc32)c1 ZINC000002840185 563454641 /nfs/dbraw/zinc/45/46/41/563454641.db2.gz RPWDWBCGCVVGOK-UHFFFAOYSA-N 0 0 334.444 4.583 50 0 EJAARN CCCCc1cc(=O)oc2cc(OCc3c(F)cccc3F)ccc12 ZINC000002857361 563456346 /nfs/dbraw/zinc/45/63/46/563456346.db2.gz IINITYUIFCQTPT-UHFFFAOYSA-N 0 0 344.357 4.993 50 0 EJAARN O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)c1cccc(F)c1 ZINC000002862536 563457049 /nfs/dbraw/zinc/45/70/49/563457049.db2.gz QMUOHINKSIHKDW-LJQANCHMSA-N 0 0 339.797 4.999 50 0 EJAARN Cc1ccccc1-c1cc(C(=O)NC2CC2)c2cc(Cl)ccc2n1 ZINC000002867757 563458415 /nfs/dbraw/zinc/45/84/15/563458415.db2.gz UCPHYBXHPQUVIB-UHFFFAOYSA-N 0 0 336.822 4.756 50 0 EJAARN CCCCOc1ccc(C(=O)NCc2cccc3ccccc32)cc1 ZINC000002869974 563458795 /nfs/dbraw/zinc/45/87/95/563458795.db2.gz KSAPNZVHVIQBAI-UHFFFAOYSA-N 0 0 333.431 4.949 50 0 biogenic EJAARN CCC(=O)c1ccccc1OCCCn1cnc2cc(C)c(C)cc21 ZINC000002881550 563461089 /nfs/dbraw/zinc/46/10/89/563461089.db2.gz SBWWMOGMIVIINL-UHFFFAOYSA-N 0 0 336.435 4.715 50 0 EJAARN O=C(NCCCc1ccccc1)c1ccccc1CCc1ccccc1 ZINC000002881469 563461106 /nfs/dbraw/zinc/46/11/06/563461106.db2.gz NMUUFLXUPCSVDZ-UHFFFAOYSA-N 0 0 343.470 4.834 50 0 EJAARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)Nc1ccc(Cl)cc1 ZINC000002890477 563462004 /nfs/dbraw/zinc/46/20/04/563462004.db2.gz AHJLCQNZJHLCPU-GFCCVEGCSA-N 0 0 345.830 4.512 50 0 EJAARN Cc1ccc(CSCCNC(=O)/C=C/c2ccccc2Cl)cc1 ZINC000002903729 563462822 /nfs/dbraw/zinc/46/28/22/563462822.db2.gz ZZGNUFHGRUANHP-ZHACJKMWSA-N 0 0 345.895 4.711 50 0 EJAARN Clc1ccccc1C1N=C(c2ccccc2)NC(c2ccccc2)=N1 ZINC000002905529 563463090 /nfs/dbraw/zinc/46/30/90/563463090.db2.gz FWOCDNNOGRNXIH-UHFFFAOYSA-N 0 0 345.833 4.835 50 0 EJAARN Cc1cc(NC(=O)c2cccc(F)c2)ccc1NC(=O)c1ccccc1 ZINC000002934357 563463917 /nfs/dbraw/zinc/46/39/17/563463917.db2.gz UQEPCABGWLPIFJ-UHFFFAOYSA-N 0 0 348.377 4.639 50 0 EJAARN Cc1cc(Cl)ccc1OCCCC(=O)NCCC1=CCCCC1 ZINC000002951019 563464306 /nfs/dbraw/zinc/46/43/06/563464306.db2.gz YNLIMZYSPZMMMG-UHFFFAOYSA-N 0 0 335.875 4.814 50 0 EJAARN CC(=O)C1=NN(c2ccccc2)[C@H](c2cccs2)N1c1ccccc1 ZINC000002983402 563465814 /nfs/dbraw/zinc/46/58/14/563465814.db2.gz TXHNVTOGOZAUQR-HXUWFJFHSA-N 0 0 347.443 4.676 50 0 EJAARN CCOc1cccc(OCCCOc2cccc(C(F)(F)F)c2)c1 ZINC000002984300 563466313 /nfs/dbraw/zinc/46/63/13/563466313.db2.gz AYVYQGPIHSUFSA-UHFFFAOYSA-N 0 0 340.341 4.952 50 0 EJAARN COc1ccc(OCCOc2cccc(Oc3ccccc3)c2)cc1 ZINC000002985697 563466913 /nfs/dbraw/zinc/46/69/13/563466913.db2.gz WUDPLKKSKQBUID-UHFFFAOYSA-N 0 0 336.387 4.945 50 0 EJAARN O=C(NC(Cc1ccccc1)Cc1ccccc1)c1ccccc1Cl ZINC000002999804 563469199 /nfs/dbraw/zinc/46/91/99/563469199.db2.gz ZULGKRKGULDIOZ-UHFFFAOYSA-N 0 0 349.861 4.924 50 0 EJAARN CC(=O)Nc1ccc2oc(-c3ccc(Br)c(C)c3)nc2c1 ZINC000003002670 563469609 /nfs/dbraw/zinc/46/96/09/563469609.db2.gz KFUPBVVCBRLBMG-UHFFFAOYSA-N 0 0 345.196 4.524 50 0 EJAARN CCOC(=O)c1c(-c2sccc2Cl)cn2c1nc(C)cc2C ZINC000003105028 563471987 /nfs/dbraw/zinc/47/19/87/563471987.db2.gz JTCUBKCTVCMKLF-UHFFFAOYSA-N 0 0 334.828 4.510 50 0 EJAARN COC(=O)CCCCCCCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000003138731 563474376 /nfs/dbraw/zinc/47/43/76/563474376.db2.gz FOSUAKZKQLRKGY-UHFFFAOYSA-N 0 0 345.361 4.548 50 0 EJAARN CCCc1[nH]nc(-c2cccc(Cl)c2)c1NC(=O)c1ccccc1 ZINC000034794687 563479676 /nfs/dbraw/zinc/47/96/76/563479676.db2.gz VYKVSMWNHBRWFO-UHFFFAOYSA-N 0 0 339.826 4.935 50 0 EJAARN CCc1cc(NC(=O)c2oc3ccccc3c2C)nn1-c1ccccc1 ZINC000034907335 563481867 /nfs/dbraw/zinc/48/18/67/563481867.db2.gz IHJBDPIKEOQPSQ-UHFFFAOYSA-N 0 0 345.402 4.742 50 0 EJAARN Cc1cc(NC(=O)c2cccc(F)c2)nn1-c1ccc(C(C)C)cc1 ZINC000034909453 563482052 /nfs/dbraw/zinc/48/20/52/563482052.db2.gz DPHYMORQNJDBAD-UHFFFAOYSA-N 0 0 337.398 4.696 50 0 EJAARN O=C(/C=C\c1ccccc1)Oc1ccc(C2SCCS2)cc1 ZINC000034911611 563482552 /nfs/dbraw/zinc/48/25/52/563482552.db2.gz RGJPZEVWVIVLRI-WDZFZDKYSA-N 0 0 328.458 4.784 50 0 EJAARN CCn1nc(C(=O)Nc2ccc(C)cc2)cc1-c1cc(C)sc1C ZINC000034901015 563483548 /nfs/dbraw/zinc/48/35/48/563483548.db2.gz IROBCSYGNBBYFG-UHFFFAOYSA-N 0 0 339.464 4.809 50 0 EJAARN CCCN(CCC)C(=O)c1cc(-c2ccc(Cl)s2)n(CC)n1 ZINC000034901087 563483596 /nfs/dbraw/zinc/48/35/96/563483596.db2.gz UWKGGMGJDCJYRL-UHFFFAOYSA-N 0 0 339.892 4.547 50 0 EJAARN Cc1cc(C)cc(-c2nc3ccccn3c2NC(=O)c2ccccc2)c1 ZINC000034915022 563484247 /nfs/dbraw/zinc/48/42/47/563484247.db2.gz PNIFIQNVDDRJDT-UHFFFAOYSA-N 0 0 341.414 4.870 50 0 EJAARN Cc1ccn2c(c1)nc(-c1cccc(F)c1)c2NC(=O)C1CCCC1 ZINC000034913296 563485082 /nfs/dbraw/zinc/48/50/82/563485082.db2.gz JYXIMXHAFRFRKI-UHFFFAOYSA-N 0 0 337.398 4.578 50 0 EJAARN CCCCCC(=O)Nc1c(-c2cccc(F)c2)nc2cc(C)ccn21 ZINC000034913282 563485113 /nfs/dbraw/zinc/48/51/13/563485113.db2.gz SPPNATJKVSMYSA-UHFFFAOYSA-N 0 0 339.414 4.968 50 0 EJAARN O=C(CCC1CCCC1)Nc1c(Cc2ccccc2)nc2ccccn21 ZINC000034913094 563485170 /nfs/dbraw/zinc/48/51/70/563485170.db2.gz KJDXFBJMNASKAZ-UHFFFAOYSA-N 0 0 347.462 4.834 50 0 EJAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc2ccccc2s1 ZINC000003517010 563485813 /nfs/dbraw/zinc/48/58/13/563485813.db2.gz NMUXPVMDAYGGGN-UHFFFAOYSA-N 0 0 346.839 4.746 50 0 EJAARN Cc1cc(CN(C)C(=O)N[C@H](c2cccs2)C2CCCCC2)on1 ZINC000584904229 563488194 /nfs/dbraw/zinc/48/81/94/563488194.db2.gz AJJBGXJBNUKCDC-KRWDZBQOSA-N 0 0 347.484 4.508 50 0 EJAARN Cc1sc2ncnc(SCC(=O)c3ccc(C)cc3)c2c1C ZINC000004184608 563497171 /nfs/dbraw/zinc/49/71/71/563497171.db2.gz LUGUVSYXSRKINA-UHFFFAOYSA-N 0 0 328.462 4.592 50 0 EJAARN O=C(NC1c2ccccc2Oc2ccccc21)OCc1ccccc1 ZINC000004492440 563503955 /nfs/dbraw/zinc/50/39/55/563503955.db2.gz XYZQIJYIHSCWFW-UHFFFAOYSA-N 0 0 331.371 4.808 50 0 EJAARN CC(=O)c1ccc(NC(=O)CSc2ccc(C(C)(C)C)cc2)cc1 ZINC000004816050 563511958 /nfs/dbraw/zinc/51/19/58/563511958.db2.gz HTLVJNNDTSUBKX-UHFFFAOYSA-N 0 0 341.476 4.918 50 0 EJAARN O=C(N[C@@H]1CCCC[C@H]1Cc1ccco1)c1cccc2ccccc21 ZINC000004851307 563513586 /nfs/dbraw/zinc/51/35/86/563513586.db2.gz NUCRUAALXFPTSQ-LAUBAEHRSA-N 0 0 333.431 4.964 50 0 EJAARN CCOc1ccc(/C=C/c2ccc3cccc(OC)c3n2)cc1OC ZINC000004998336 563518242 /nfs/dbraw/zinc/51/82/42/563518242.db2.gz XIRLBQMXMMCBPK-DHZHZOJOSA-N 0 0 335.403 4.821 50 0 EJAARN Cc1c(C(=O)CSc2nc3ccccc3o2)c2ccccc2n1C ZINC000004999354 563518253 /nfs/dbraw/zinc/51/82/53/563518253.db2.gz HTWGKMPDANQEKG-UHFFFAOYSA-N 0 0 336.416 4.603 50 0 EJAARN COc1ccc(-c2cnc(NC(=O)/C=C/c3cccs3)s2)cc1 ZINC000005060940 563520568 /nfs/dbraw/zinc/52/05/68/563520568.db2.gz PMWGBSVHKUDDAP-CMDGGOBGSA-N 0 0 342.445 4.532 50 0 EJAARN CCn1c(SCc2cccc(OC)c2)nnc1-c1ccc(C)cc1 ZINC000005499449 563535289 /nfs/dbraw/zinc/53/52/89/563535289.db2.gz YKNLEUIQJDFZHH-UHFFFAOYSA-N 0 0 339.464 4.574 50 0 EJAARN CCCCOc1ccc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc1 ZINC000005597172 563541806 /nfs/dbraw/zinc/54/18/06/563541806.db2.gz DOLFQBMAOFKTRN-CYBMUJFWSA-N 0 0 344.480 4.699 50 0 EJAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000005699288 563546287 /nfs/dbraw/zinc/54/62/87/563546287.db2.gz ODPIQHFTFVKLNE-UHFFFAOYSA-N 0 0 346.308 4.921 50 0 EJAARN Cc1ccc2nsnc2c1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000005710647 563546704 /nfs/dbraw/zinc/54/67/04/563546704.db2.gz FIQDHORBVIIFHQ-UHFFFAOYSA-N 0 0 325.437 4.550 50 0 EJAARN Cc1ccc(-n2cc3c(n2)c(C)nnc3-c2ccc(Cl)cc2)cc1 ZINC000005795056 563550773 /nfs/dbraw/zinc/55/07/73/563550773.db2.gz LPFIHJGBLGVTNU-UHFFFAOYSA-N 0 0 334.810 4.753 50 0 EJAARN O=C(N[C@@H]1CCCC[C@@H]1Cc1ccco1)C12CC3CC(CC(C3)C1)C2 ZINC000005945237 563555102 /nfs/dbraw/zinc/55/51/02/563555102.db2.gz YZNHXAKNDQHQQV-XEMQEEEZSA-N 0 0 341.495 4.714 50 0 EJAARN COc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)c(OC)c1 ZINC000006127330 563559264 /nfs/dbraw/zinc/55/92/64/563559264.db2.gz YUVBZFGHLQNCQC-UHFFFAOYSA-N 0 0 349.386 4.748 50 0 EJAARN Cc1ccc(N2C(=S)N=NC2Cc2cccc3ccccc32)c(C)c1 ZINC000006183799 563560600 /nfs/dbraw/zinc/56/06/00/563560600.db2.gz IAVUBXLLTJHRKX-UHFFFAOYSA-N 0 0 345.471 4.917 50 0 EJAARN Cc1ccc([C@H]2CCCN2Cc2nnc(-c3cccs3)o2)s1 ZINC000071910871 563576700 /nfs/dbraw/zinc/57/67/00/563576700.db2.gz KSOVQXFIOBWOOH-GFCCVEGCSA-N 0 0 331.466 4.505 50 0 EJAARN COc1ccc(Cl)cc1NC(=O)C1(c2ccccc2)CCCC1 ZINC000002512711 563585338 /nfs/dbraw/zinc/58/53/38/563585338.db2.gz FAZURAFMAHLUGE-UHFFFAOYSA-N 0 0 329.827 4.799 50 0 EJAARN O=C(Nc1ccc2nc(-c3ccccc3)oc2c1)c1ccccc1F ZINC000006864621 563589300 /nfs/dbraw/zinc/58/93/00/563589300.db2.gz ZCDNQBRVSYGDEQ-UHFFFAOYSA-N 0 0 332.334 4.886 50 0 EJAARN CCc1nnc2c(Nc3ccc(C)cc3Cl)nc3ccccc3n12 ZINC000006901657 563591294 /nfs/dbraw/zinc/59/12/94/563591294.db2.gz VUKDWPZFUZASMR-UHFFFAOYSA-N 0 0 337.814 4.545 50 0 EJAARN Clc1ccc(-c2ccc(CNCc3ccccn3)o2)c(Cl)c1 ZINC000007365348 563600154 /nfs/dbraw/zinc/60/01/54/563600154.db2.gz DIFMQOKMMKCHKW-UHFFFAOYSA-N 0 0 333.218 4.938 50 0 EJAARN Cc1[nH]c2ccccc2c1SCC(=O)N1CCCc2ccccc21 ZINC000002718321 563607183 /nfs/dbraw/zinc/60/71/83/563607183.db2.gz GERJLWAXQAEOJQ-UHFFFAOYSA-N 0 0 336.460 4.548 50 0 EJAARN CCn1nc(C)c2c1nc(-c1ccc(C)s1)cc2C(F)(F)F ZINC000002732332 563609406 /nfs/dbraw/zinc/60/94/06/563609406.db2.gz GAFPIWUWFIMKOJ-UHFFFAOYSA-N 0 0 325.359 4.815 50 0 EJAARN CC1CCN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1 ZINC000002734344 563609787 /nfs/dbraw/zinc/60/97/87/563609787.db2.gz ALWIQVNDADMOPG-LJQANCHMSA-N 0 0 325.477 4.779 50 0 EJAARN O=C(COc1ccc(Cl)c(Cl)c1)Nc1cccc(Cl)c1 ZINC000002762953 563610474 /nfs/dbraw/zinc/61/04/74/563610474.db2.gz FXFJQUHFNZYFGU-UHFFFAOYSA-N 0 0 330.598 4.664 50 0 EJAARN Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(OCC(C)C)cc2)c1 ZINC000002768995 563614206 /nfs/dbraw/zinc/61/42/06/563614206.db2.gz ISKOLJIEWLACDH-QGZVFWFLSA-N 0 0 325.452 4.829 50 0 EJAARN Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(OCC(C)C)cc2)c1 ZINC000002768996 563614210 /nfs/dbraw/zinc/61/42/10/563614210.db2.gz ISKOLJIEWLACDH-KRWDZBQOSA-N 0 0 325.452 4.829 50 0 EJAARN CCc1ccc([C@@H]2CCCCCN2C(=O)CCc2c(C)noc2C)o1 ZINC000071916065 563620779 /nfs/dbraw/zinc/62/07/79/563620779.db2.gz ZFSMFVADYXIWPQ-SFHVURJKSA-N 0 0 344.455 4.523 50 0 EJAARN COc1ccccc1C(=O)Nc1ccc2nc(-c3ccccc3)oc2c1 ZINC000008186749 563622793 /nfs/dbraw/zinc/62/27/93/563622793.db2.gz MBZNNGDTVMMDLN-UHFFFAOYSA-N 0 0 344.370 4.756 50 0 EJAARN C[C@@H](NC(=O)Nc1ccccc1SC(F)F)c1cccs1 ZINC000043552894 563622807 /nfs/dbraw/zinc/62/28/07/563622807.db2.gz IJIZOGMIATXVFU-SECBINFHSA-N 0 0 328.409 4.946 50 0 EJAARN COc1ccc2ccccc2c1[C@@H]1NN=C(c2ccc(C)cc2)S1 ZINC000002987398 563623529 /nfs/dbraw/zinc/62/35/29/563623529.db2.gz XBOZWXYHDHAUJS-HXUWFJFHSA-N 0 0 334.444 4.854 50 0 EJAARN Cc1ccc(CSCCNC(=O)[C@H](C)Sc2ccccc2)cc1 ZINC000002982157 563624023 /nfs/dbraw/zinc/62/40/23/563624023.db2.gz YOZKRGFEZPYIHW-INIZCTEOSA-N 0 0 345.533 4.525 50 0 EJAARN CCc1ccc(C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)cc1 ZINC000008383059 563628565 /nfs/dbraw/zinc/62/85/65/563628565.db2.gz ILOHEYBQDBDPFL-UHFFFAOYSA-N 0 0 329.399 4.732 50 0 EJAARN O=C(CCc1c[nH]c2ccccc12)N1CCC(Cc2ccccc2)CC1 ZINC000008516560 563631553 /nfs/dbraw/zinc/63/15/53/563631553.db2.gz SGTSHSCEPZFFOW-UHFFFAOYSA-N 0 0 346.474 4.582 50 0 EJAARN CC(=O)c1ccc(OCCCCCOc2ccc(C(C)=O)cc2)cc1 ZINC000003068337 563631909 /nfs/dbraw/zinc/63/19/09/563631909.db2.gz WYUJOAJHEHUTMT-UHFFFAOYSA-N 0 0 340.419 4.720 50 0 biogenic EJAARN CNc1nc(-c2ccccc2)c(-c2ncc(C)c(OC)c2C)s1 ZINC000008715586 563637347 /nfs/dbraw/zinc/63/73/47/563637347.db2.gz BDWHBWRFPAGKPA-UHFFFAOYSA-N 0 0 325.437 4.539 50 0 EJAARN CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000009259126 563643032 /nfs/dbraw/zinc/64/30/32/563643032.db2.gz HIIMVNPGJPLCNE-UHFFFAOYSA-N 0 0 330.815 4.577 50 0 EJAARN Cc1nc(Nc2ccccc2)nc2c1C(=O)C[C@@H](c1ccc(F)cc1)C2 ZINC000010156539 563646149 /nfs/dbraw/zinc/64/61/49/563646149.db2.gz FLXBLMAAODAIGM-HNNXBMFYSA-N 0 0 347.393 4.580 50 0 EJAARN CC(C)c1ccc2nc(NC(=O)c3c(F)cccc3F)sc2c1 ZINC000004325819 563646390 /nfs/dbraw/zinc/64/63/90/563646390.db2.gz SJRUREPELBKSKX-UHFFFAOYSA-N 0 0 332.375 4.950 50 0 EJAARN CN(C(=O)c1cccc(NC(=O)Nc2ccccc2)c1)c1ccccc1 ZINC000012138634 563654707 /nfs/dbraw/zinc/65/47/07/563654707.db2.gz UTNSXFMGNOZHME-UHFFFAOYSA-N 0 0 345.402 4.607 50 0 EJAARN CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1cc(C(C)(C)C)on1 ZINC000012383117 563659374 /nfs/dbraw/zinc/65/93/74/563659374.db2.gz ZJXCEKSBRFPRGF-ZDUSSCGKSA-N 0 0 330.428 4.502 50 0 EJAARN CC[C@H](C)NC(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1 ZINC000012404227 563660020 /nfs/dbraw/zinc/66/00/20/563660020.db2.gz WMAXCSDJWCUQRQ-LBPRGKRZSA-N 0 0 345.830 4.512 50 0 EJAARN CCCCc1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C ZINC000012410992 563660424 /nfs/dbraw/zinc/66/04/24/563660424.db2.gz KBAMXUVZSNHNQC-UHFFFAOYSA-N 0 0 349.478 4.821 50 0 EJAARN COc1ccc(N(Cc2cccc(C)c2)c2snnc2C)cc1 ZINC000032611844 563665653 /nfs/dbraw/zinc/66/56/53/563665653.db2.gz PBQZXSOFFMEVAY-UHFFFAOYSA-N 0 0 325.437 4.502 50 0 EJAARN COc1cccc([C@H](C)N(C)Cc2nc(-c3cccs3)oc2C)c1 ZINC000012713962 563668667 /nfs/dbraw/zinc/66/86/67/563668667.db2.gz WSVGXQMJHFXMOB-ZDUSSCGKSA-N 0 0 342.464 4.913 50 0 EJAARN Cc1ccc(-c2cc(C(=O)Nc3cccc4cccnc43)no2)cc1C ZINC000032623229 563669731 /nfs/dbraw/zinc/66/97/31/563669731.db2.gz KWGJEZAYQXQREN-UHFFFAOYSA-N 0 0 343.386 4.759 50 0 EJAARN O=C(CCC1CCCC1)Nc1nnc(SCc2ccccc2)s1 ZINC000012753266 563670093 /nfs/dbraw/zinc/67/00/93/563670093.db2.gz HMJUJSGWZFWHKY-UHFFFAOYSA-N 0 0 347.509 4.739 50 0 EJAARN CC(=O)c1ccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)cc1 ZINC000012791953 563671581 /nfs/dbraw/zinc/67/15/81/563671581.db2.gz SAFWCBDNVODNJF-UHFFFAOYSA-N 0 0 345.398 4.644 50 0 EJAARN Cc1ccccc1[C@H](C)NC(=O)CSc1nc2ccccc2s1 ZINC000012799008 563673442 /nfs/dbraw/zinc/67/34/42/563673442.db2.gz PIZXNFHVXQESQI-ZDUSSCGKSA-N 0 0 342.489 4.574 50 0 EJAARN CC(=O)c1cccc(NC(=O)c2ccccc2COc2ccccc2)c1 ZINC000012805161 563674381 /nfs/dbraw/zinc/67/43/81/563674381.db2.gz DFJZXUMIUSEMSY-UHFFFAOYSA-N 0 0 345.398 4.721 50 0 EJAARN Cc1cccc(-c2c3c(nc(C)c2C(N)=O)sc2c3CCCC2)c1 ZINC000012818169 563674904 /nfs/dbraw/zinc/67/49/04/563674904.db2.gz RJCKQCWNMPWOMM-UHFFFAOYSA-N 0 0 336.460 4.558 50 0 EJAARN CCN(C(=O)COc1ccc(F)cc1F)c1cccc2ccccc21 ZINC000032672231 563677057 /nfs/dbraw/zinc/67/70/57/563677057.db2.gz HCPXHYPFWFYWTB-UHFFFAOYSA-N 0 0 341.357 4.550 50 0 EJAARN CC(C)=CC(=O)N(C)Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000032678723 563677492 /nfs/dbraw/zinc/67/74/92/563677492.db2.gz RNZNORZAOCJQIF-UHFFFAOYSA-N 0 0 348.240 4.634 50 0 EJAARN O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1ccoc1 ZINC000012938409 563677728 /nfs/dbraw/zinc/67/77/28/563677728.db2.gz BOZSXIZLGXMKNT-UHFFFAOYSA-N 0 0 336.372 4.934 50 0 EJAARN C[C@@H](NC(=O)c1csc(-c2ccccc2)n1)c1ccc(F)c(F)c1 ZINC000012993317 563683045 /nfs/dbraw/zinc/68/30/45/563683045.db2.gz APZSIBGDUSMZMR-LLVKDONJSA-N 0 0 344.386 4.579 50 0 EJAARN CC(C)n1ncc2cc(NC(=O)c3cc(Cl)ccc3Cl)cnc21 ZINC000013001850 563684728 /nfs/dbraw/zinc/68/47/28/563684728.db2.gz AICBCEBROCZBPN-UHFFFAOYSA-N 0 0 349.221 4.571 50 0 EJAARN CC(C)c1ccc(NC(=O)[C@H](C)N(C)Cc2ccc(Cl)cc2)cc1 ZINC000013041213 563686352 /nfs/dbraw/zinc/68/63/52/563686352.db2.gz WUGZGVHGHSVDEZ-HNNXBMFYSA-N 0 0 344.886 4.922 50 0 EJAARN CCc1cc(-c2n[nH]c(C)c2-c2ccccc2Cl)c(O)cc1OC ZINC000013126511 563689573 /nfs/dbraw/zinc/68/95/73/563689573.db2.gz LIMUREPZIPKNLD-UHFFFAOYSA-N 0 0 342.826 4.982 50 0 EJAARN CC[C@H](NC(=O)c1oc2c(cccc2F)c1C)c1ccc(OC)cc1 ZINC000032721515 563703197 /nfs/dbraw/zinc/70/31/97/563703197.db2.gz VIPUERPSVGUROT-KRWDZBQOSA-N 0 0 341.382 4.770 50 0 EJAARN O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccccc2)cc1 ZINC000013633004 563705155 /nfs/dbraw/zinc/70/51/55/563705155.db2.gz OEASWMAWUWRMHZ-UHFFFAOYSA-N 0 0 331.375 4.583 50 0 EJAARN CCn1c(CN2c3ccccc3Sc3ccccc32)n[nH]c1=S ZINC000013658293 563707550 /nfs/dbraw/zinc/70/75/50/563707550.db2.gz SQJPIBBQPYVNGJ-UHFFFAOYSA-N 0 0 340.477 4.763 50 0 EJAARN O/N=c1/oc2cc3occ(-c4ccc(F)cc4)c3cc2c2c1CCC2 ZINC000013690380 563712269 /nfs/dbraw/zinc/71/22/69/563712269.db2.gz TXCVCBYAOAJNSZ-LSDHQDQOSA-N 0 0 335.334 4.764 50 0 EJAARN Cc1csc(NC(=O)c2sc(-c3ccccc3Cl)nc2C)n1 ZINC000013725242 563718488 /nfs/dbraw/zinc/71/84/88/563718488.db2.gz SMZXWYBBTWRXKD-UHFFFAOYSA-N 0 0 349.868 4.789 50 0 EJAARN Cc1ccc(C(=O)[C@H](C)OC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000032744883 563720963 /nfs/dbraw/zinc/72/09/63/563720963.db2.gz LRYCFICRWPIFAK-BZSISCHUSA-N 0 0 340.463 4.716 50 0 EJAARN CC[C@H](SC(C)=O)C(=O)N1c2ccccc2Sc2ccccc21 ZINC000013858237 563726865 /nfs/dbraw/zinc/72/68/65/563726865.db2.gz HCUZNGLGQWWSSO-HNNXBMFYSA-N 0 0 343.473 4.874 50 0 EJAARN CCc1cccc2c(C3=CCN(C(=O)[C@@H]4CC=CCC4)CC3)c[nH]c21 ZINC000032754306 563727628 /nfs/dbraw/zinc/72/76/28/563727628.db2.gz NSWNIEYTTADVNN-GOSISDBHSA-N 0 0 334.463 4.702 50 0 EJAARN CC(=O)c1ccc(NC(=S)N[C@H](C)c2cc(C)ccc2C)cc1 ZINC000013931248 563730257 /nfs/dbraw/zinc/73/02/57/563730257.db2.gz TUDBWOFUMHJYQF-CQSZACIVSA-N 0 0 326.465 4.554 50 0 EJAARN CN(C)c1ccc(NC(=O)/C(=C\c2ccccc2)c2ccccc2)cc1 ZINC000013957947 563733189 /nfs/dbraw/zinc/73/31/89/563733189.db2.gz UWZAHVDFIAGETB-XLNRJJMWSA-N 0 0 342.442 4.932 50 0 EJAARN CC1=C(C)[C@H](c2c[nH]c3ccccc32)N(CCc2ccccc2)C1=O ZINC000013957620 563733194 /nfs/dbraw/zinc/73/31/94/563733194.db2.gz ILQUODJUHAGTHZ-OAQYLSRUSA-N 0 0 330.431 4.630 50 0 EJAARN COc1ccccc1NC(=O)CCSCc1ccc(SC)cc1 ZINC000032778749 563734358 /nfs/dbraw/zinc/73/43/58/563734358.db2.gz PKDNJYLATNYKQA-UHFFFAOYSA-N 0 0 347.505 4.679 50 0 EJAARN Cc1nc(-c2ccc(CNC(=O)Nc3ccc(F)cc3)cc2)cs1 ZINC000014016522 563735748 /nfs/dbraw/zinc/73/57/48/563735748.db2.gz ZRXGZCISJOBSCF-UHFFFAOYSA-N 0 0 341.411 4.579 50 0 EJAARN COc1ccccc1[C@H](C)N(C)C(=O)c1cc2c(s1)CCCCC2 ZINC000032796610 563738105 /nfs/dbraw/zinc/73/81/05/563738105.db2.gz GSEFFYWNCZKTHC-AWEZNQCLSA-N 0 0 343.492 4.859 50 0 EJAARN Cc1ccc(-c2nc(CC(=O)Nc3ccccc3F)cs2)c(C)c1 ZINC000014094123 563739590 /nfs/dbraw/zinc/73/95/90/563739590.db2.gz PICHWXWZEBGRDD-UHFFFAOYSA-N 0 0 340.423 4.747 50 0 EJAARN O=C(Nc1cc(Cl)ccc1Cl)c1cnc(Cl)c(Cl)c1 ZINC000014157859 563745568 /nfs/dbraw/zinc/74/55/68/563745568.db2.gz KLHVLJMPJIHGMG-UHFFFAOYSA-N 0 0 336.005 4.948 50 0 EJAARN C[C@H](Sc1nnc(NCc2ccco2)s1)c1ccc(F)cc1 ZINC000014165452 563746215 /nfs/dbraw/zinc/74/62/15/563746215.db2.gz NZFHAGBQAFVDNA-JTQLQIEISA-N 0 0 335.429 4.736 50 0 EJAARN FC(F)(F)c1nc2ccccc2c(N[C@H]2CCOc3ccccc32)n1 ZINC000014169295 563746619 /nfs/dbraw/zinc/74/66/19/563746619.db2.gz YFLZHIQAOWGUOQ-AWEZNQCLSA-N 0 0 345.324 4.584 50 0 EJAARN Cc1cc(-c2csc(NC3CC3)n2)c(C)n1Cc1ccc(F)cc1 ZINC000014183710 563747860 /nfs/dbraw/zinc/74/78/60/563747860.db2.gz LRFBFKPBMLDJNM-UHFFFAOYSA-N 0 0 341.455 4.990 50 0 EJAARN Cc1ccc(C)c([C@H](C)NC(=O)CCc2nc3ccccc3s2)c1 ZINC000014201685 563750592 /nfs/dbraw/zinc/75/05/92/563750592.db2.gz KGKGSCOHMWCYQX-HNNXBMFYSA-N 0 0 338.476 4.723 50 0 EJAARN COc1ccc(-c2nc(-c3cc(OC)ccc3OC)cs2)cc1 ZINC000014229046 563752758 /nfs/dbraw/zinc/75/27/58/563752758.db2.gz KXDQZSKYKHJWHE-UHFFFAOYSA-N 0 0 327.405 4.503 50 0 EJAARN Cc1cccc(NC(=O)Cc2nc(-c3ccc(F)cc3F)cs2)c1 ZINC000014229321 563752801 /nfs/dbraw/zinc/75/28/01/563752801.db2.gz UIYSKYOTVIFJKK-UHFFFAOYSA-N 0 0 344.386 4.578 50 0 EJAARN O=c1[nH]c2ccc(-c3csc(-c4ccc(Cl)cc4)n3)cc2o1 ZINC000014237632 563753549 /nfs/dbraw/zinc/75/35/49/563753549.db2.gz QPBKOSGEXIQKPX-UHFFFAOYSA-N 0 0 328.780 4.565 50 0 EJAARN O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cc2ccccc2o1 ZINC000014242859 563754273 /nfs/dbraw/zinc/75/42/73/563754273.db2.gz TUJXWZSBFSHCMU-CQSZACIVSA-N 0 0 327.380 4.539 50 0 EJAARN CC(C)(C)C1CCC(NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000014251980 563755464 /nfs/dbraw/zinc/75/54/64/563755464.db2.gz RIEVKBXCROAMCN-UHFFFAOYSA-N 0 0 345.508 4.723 50 0 EJAARN CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccccc2SC)cc1 ZINC000014257200 563756387 /nfs/dbraw/zinc/75/63/87/563756387.db2.gz KGBLBTGSXJQABE-ZDUSSCGKSA-N 0 0 335.494 4.723 50 0 EJAARN CSc1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)c1 ZINC000014428362 563758988 /nfs/dbraw/zinc/75/89/88/563758988.db2.gz WCQMWBZMKLWBFX-UHFFFAOYSA-N 0 0 347.439 4.892 50 0 EJAARN COc1cc(N)c(Cl)cc1C(=O)OCc1ccc(C(C)(C)C)cc1 ZINC000014705547 563763330 /nfs/dbraw/zinc/76/33/30/563763330.db2.gz GTDCZCYGJGAOPG-UHFFFAOYSA-N 0 0 347.842 4.585 50 0 EJAARN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cc(Cl)ccc1F ZINC000014900025 563766708 /nfs/dbraw/zinc/76/67/08/563766708.db2.gz JTGPODODGRPNBC-UHFFFAOYSA-N 0 0 344.773 4.624 50 0 EJAARN COc1ccc(CC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1F ZINC000014934180 563767255 /nfs/dbraw/zinc/76/72/55/563767255.db2.gz HHDBOPNHSURBFY-UHFFFAOYSA-N 0 0 347.389 4.587 50 0 EJAARN CCCCCSc1nnc(-c2ccc(Br)cc2)o1 ZINC000004550626 563767493 /nfs/dbraw/zinc/76/74/93/563767493.db2.gz PCLLTHKLTLUJQK-UHFFFAOYSA-N 0 0 327.247 4.781 50 0 EJAARN CSc1ccc(/C=C2\C(=O)Nc3ccc(Br)cc32)cc1 ZINC000015016163 563772428 /nfs/dbraw/zinc/77/24/28/563772428.db2.gz OOIUIJRCLGTMEK-ZSOIEALJSA-N 0 0 346.249 4.664 50 0 EJAARN O=C1S/C(=C/c2ccccc2)C(=O)N1Cc1ccccc1Cl ZINC000015019167 563773581 /nfs/dbraw/zinc/77/35/81/563773581.db2.gz OMWAXQZAOQYEMU-XNTDXEJSSA-N 0 0 329.808 4.577 50 0 EJAARN CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)C1(C)C ZINC000015022291 563773921 /nfs/dbraw/zinc/77/39/21/563773921.db2.gz ITSBNEWNJSOISB-OVJDGSIDSA-N 0 0 329.528 4.946 50 0 EJAARN C[C@@H](NC(=O)COc1ccc2ccccc2c1)c1cc2ccccc2o1 ZINC000015040224 563773969 /nfs/dbraw/zinc/77/39/69/563773969.db2.gz SGKOWZUHAMHVEA-OAHLLOKOSA-N 0 0 345.398 4.842 50 0 EJAARN CC(C)c1ccc(N[C@@H]2CCCN(C(=O)c3ccsc3)C2)cc1 ZINC000015063430 563774207 /nfs/dbraw/zinc/77/42/07/563774207.db2.gz PPVHJHDKNGAAMB-GOSISDBHSA-N 0 0 328.481 4.588 50 0 EJAARN CC(C)(C)[C@@H]1CCc2c(sc3c2[C@@H](c2ccncc2)CC(=O)N3)C1 ZINC000015106915 563777957 /nfs/dbraw/zinc/77/79/57/563777957.db2.gz IGHQMEYQTKCAJX-UKRRQHHQSA-N 0 0 340.492 4.768 50 0 EJAARN Cc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)s1 ZINC000015227167 563780453 /nfs/dbraw/zinc/78/04/53/563780453.db2.gz CRINHNBBLBNJIA-JYRVWZFOSA-N 0 0 335.837 4.951 50 0 EJAARN CCOc1ccc([C@H](C)NC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1 ZINC000032889620 563782426 /nfs/dbraw/zinc/78/24/26/563782426.db2.gz ATDZSBZISWKXQF-GJZGRUSLSA-N 0 0 344.430 4.688 50 0 EJAARN CN(CN1c2cccc3cccc(c23)C1=O)[C@H]1CCCc2ccccc21 ZINC000032899424 563785418 /nfs/dbraw/zinc/78/54/18/563785418.db2.gz SFGNCYDPEVLZHR-FQEVSTJZSA-N 0 0 342.442 4.767 50 0 EJAARN Cc1nc2cc(NC(=O)CCSc3ccc(Cl)cc3)ccc2o1 ZINC000015566920 563787243 /nfs/dbraw/zinc/78/72/43/563787243.db2.gz UMBFRFVGHZKANN-UHFFFAOYSA-N 0 0 346.839 4.911 50 0 EJAARN CCc1ccc(NC(=O)N2CCS[C@H]2c2cccc(F)c2)cc1 ZINC000004573847 563787923 /nfs/dbraw/zinc/78/79/23/563787923.db2.gz NMXGGXLVJFKYGI-KRWDZBQOSA-N 0 0 330.428 4.668 50 0 EJAARN Cc1ccc(C)c(NC(=O)c2ccc(OCc3cscn3)cc2)c1 ZINC000015627903 563788721 /nfs/dbraw/zinc/78/87/21/563788721.db2.gz VRILNGRSNGPJGY-UHFFFAOYSA-N 0 0 338.432 4.591 50 0 EJAARN COc1ccc(/C=C/C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cc1 ZINC000015694895 563790634 /nfs/dbraw/zinc/79/06/34/563790634.db2.gz ZSUCINSRBSTBFX-YKWSONSWSA-N 0 0 349.352 4.605 50 0 EJAARN CCCOc1cccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000015746292 563791442 /nfs/dbraw/zinc/79/14/42/563791442.db2.gz PWHAGLBKKRWOPQ-UHFFFAOYSA-N 0 0 339.313 4.626 50 0 EJAARN O=C(NCc1csc(-c2ccccc2)n1)c1cccc2ccccc21 ZINC000015832356 563793408 /nfs/dbraw/zinc/79/34/08/563793408.db2.gz CJBJCRSCDRBSFG-UHFFFAOYSA-N 0 0 344.439 4.893 50 0 EJAARN Cc1ccc2cccc(NC(=O)[C@@H](C)Oc3ccccc3Cl)c2n1 ZINC000015835268 563794099 /nfs/dbraw/zinc/79/40/99/563794099.db2.gz HOYCRRYNCAZOSO-CYBMUJFWSA-N 0 0 340.810 4.603 50 0 EJAARN Cc1cccc(NC(=O)C2=Cc3cc(Cl)ccc3OC=C2)c1C ZINC000015838554 563794874 /nfs/dbraw/zinc/79/48/74/563794874.db2.gz XBTAKNPFQKMVAJ-UHFFFAOYSA-N 0 0 325.795 4.885 50 0 EJAARN CCCOc1ccc(NC(=O)c2ccccc2Cl)c2cccnc12 ZINC000015840903 563795776 /nfs/dbraw/zinc/79/57/76/563795776.db2.gz OWHONSITJRHPHZ-UHFFFAOYSA-N 0 0 340.810 4.929 50 0 EJAARN CCCOc1ccc(NC(=O)c2ccc(Cl)cc2)c2cccnc12 ZINC000015840905 563795832 /nfs/dbraw/zinc/79/58/32/563795832.db2.gz DOLNLIYJROCVDW-UHFFFAOYSA-N 0 0 340.810 4.929 50 0 EJAARN Cc1ccc(S(=O)(=O)N2CCCCC[C@H]2c2cccs2)cc1C ZINC000015866808 563797909 /nfs/dbraw/zinc/79/79/09/563797909.db2.gz BVBCHZNQWPMHHF-KRWDZBQOSA-N 0 0 349.521 4.671 50 0 EJAARN Cc1ccsc1[C@@H]1CCCCCN1S(=O)(=O)c1ccccc1C ZINC000015866827 563797926 /nfs/dbraw/zinc/79/79/26/563797926.db2.gz ZWOTYLLVVRTDEO-INIZCTEOSA-N 0 0 349.521 4.671 50 0 EJAARN Clc1ccc2c(c1)ncnc2Oc1cccc(Br)c1 ZINC000032907669 563799561 /nfs/dbraw/zinc/79/95/61/563799561.db2.gz JTVMJQYXSXTQRY-UHFFFAOYSA-N 0 0 335.588 4.838 50 0 EJAARN COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(CC(C)C)=NN32)cc1 ZINC000015906164 563799656 /nfs/dbraw/zinc/79/96/56/563799656.db2.gz KZUTWIGUSKKYDZ-CTNGQTDRSA-N 0 0 336.435 4.935 50 0 EJAARN C[C@@H](NC(=O)c1ncc(Cl)c(Cl)c1Cl)c1ccccc1 ZINC000016024216 563802305 /nfs/dbraw/zinc/80/23/05/563802305.db2.gz DAJZKWXQAAJDIN-MRVPVSSYSA-N 0 0 329.614 4.533 50 0 EJAARN O=S(=O)(/C=C/c1ccccc1)Oc1ccccc1-c1ccccc1 ZINC000016090226 563803124 /nfs/dbraw/zinc/80/31/24/563803124.db2.gz JCDCJKFCJQILIL-FOCLMDBBSA-N 0 0 336.412 4.733 50 0 EJAARN C[C@H](c1cccs1)N(C)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000016435154 563811288 /nfs/dbraw/zinc/81/12/88/563811288.db2.gz NPOPINBMOFXLBW-LLVKDONJSA-N 0 0 333.844 4.645 50 0 EJAARN O=C(Nc1ccccc1O)c1ccc(C2SCCCS2)cc1 ZINC000016483074 563812726 /nfs/dbraw/zinc/81/27/26/563812726.db2.gz SZTWJGSWRSMPOZ-UHFFFAOYSA-N 0 0 331.462 4.513 50 0 EJAARN Cc1ccc(O)c([C@H](CC(=O)NCc2ccccc2)c2ccccc2)c1 ZINC000016849244 563824809 /nfs/dbraw/zinc/82/48/09/563824809.db2.gz SATMBNQOXWPQSE-HXUWFJFHSA-N 0 0 345.442 4.539 50 0 EJAARN O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1c(F)cccc1F ZINC000000190415 563828010 /nfs/dbraw/zinc/82/80/10/563828010.db2.gz BMFPNOIAOGDDNS-UHFFFAOYSA-N 0 0 349.340 4.760 50 0 aggregator EJAARN COc1ccc(OC)c(/C=C2\CCc3c4cc(C)ccc4[nH]c3C2=O)c1 ZINC000000203368 563829528 /nfs/dbraw/zinc/82/95/28/563829528.db2.gz RLNASZRFUCADGV-SDNWHVSQSA-N 0 0 347.414 4.706 50 0 EJAARN Cc1ccc(CNC(=S)Nc2cccc(Cl)c2Cl)cc1 ZINC000017066568 563830576 /nfs/dbraw/zinc/83/05/76/563830576.db2.gz YHRXKPMHEFZGAU-UHFFFAOYSA-N 0 0 325.264 4.788 50 0 EJAARN CCn1c(Cc2cccs2)nnc1SCc1cccc(C)c1 ZINC000017067593 563831715 /nfs/dbraw/zinc/83/17/15/563831715.db2.gz GDZHUOFIWMDLCL-UHFFFAOYSA-N 0 0 329.494 4.551 50 0 EJAARN Nc1ccc(SCC(=O)N(c2ccccc2)c2ccccc2)cc1 ZINC000017070504 563832743 /nfs/dbraw/zinc/83/27/43/563832743.db2.gz FMBIRNKFQOMRCA-UHFFFAOYSA-N 0 0 334.444 4.726 50 0 EJAARN CCc1ccc([C@H](C)NC(=O)/C=C\c2ccc(OC(C)C)cc2)cc1 ZINC000017070934 563833454 /nfs/dbraw/zinc/83/34/54/563833454.db2.gz RITKAUCCLRLAAR-MJSCBBHESA-N 0 0 337.463 4.927 50 0 EJAARN COc1ccc(Cl)cc1NC(=O)Nc1ccccc1OC(F)F ZINC000017071610 563834976 /nfs/dbraw/zinc/83/49/76/563834976.db2.gz KJUAPZRQYCYKEF-UHFFFAOYSA-N 0 0 342.729 4.594 50 0 EJAARN c1c(CNc2ncnc3c4ccccc4oc32)onc1-c1ccccc1 ZINC000032927010 563836422 /nfs/dbraw/zinc/83/64/22/563836422.db2.gz UFFDODCGOROAAP-UHFFFAOYSA-N 0 0 342.358 4.643 50 0 EJAARN CC1(C)OC(c2ccccc2)=C/C(=C/C=N/c2ccccc2C#N)O1 ZINC000000277459 563837745 /nfs/dbraw/zinc/83/77/45/563837745.db2.gz AXGFRCQJTXXMKQ-WVVFEJFTSA-N 0 0 330.387 4.968 50 0 EJAARN Cc1cccc(NC(=O)C2[C@H]3CC[C@@H]4[C@H](CC[C@H]23)C4(Cl)Cl)c1 ZINC000018086995 563848179 /nfs/dbraw/zinc/84/81/79/563848179.db2.gz ILZRVBWTTJKFOR-WDFJATGCSA-N 0 0 338.278 4.790 50 0 EJAARN Cc1cccc(Oc2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@@H]4C3=O)cc2)c1 ZINC000018100138 563848605 /nfs/dbraw/zinc/84/86/05/563848605.db2.gz RPFXZAVVAHHALA-YSGRDPCXSA-N 0 0 349.430 4.713 50 0 EJAARN CCc1ccc(Nc2ncc3c(n2)C[C@@H](c2ccccc2)CC3=O)cc1 ZINC000018158989 563850133 /nfs/dbraw/zinc/85/01/33/563850133.db2.gz CGICSRTXFXGLON-QGZVFWFLSA-N 0 0 343.430 4.695 50 0 EJAARN CCc1ccc(C(=O)c2sc(Nc3ccc(C)cc3)nc2N)cc1 ZINC000032948157 563864925 /nfs/dbraw/zinc/86/49/25/563864925.db2.gz YPZYPADNZLBXEN-UHFFFAOYSA-N 0 0 337.448 4.571 50 0 EJAARN c1csc(-c2nnc(CSc3nnc(C4CCCCC4)o3)o2)c1 ZINC000022892346 563865246 /nfs/dbraw/zinc/86/52/46/563865246.db2.gz PRSLSSFQILELGN-UHFFFAOYSA-N 0 0 348.453 4.521 50 0 EJAARN Cc1ccc(-c2cc(C(=O)N(C)c3ccc4ccccc4c3)n[nH]2)s1 ZINC000024464510 563871600 /nfs/dbraw/zinc/87/16/00/563871600.db2.gz CJZJVVOIJJBDGQ-UHFFFAOYSA-N 0 0 347.443 4.876 50 0 EJAARN O=C(c1cc(F)cc(F)c1)N1CCCc2cc(C(F)(F)F)ccc21 ZINC000024468533 563871700 /nfs/dbraw/zinc/87/17/00/563871700.db2.gz RQHVGYBWPXFHPD-UHFFFAOYSA-N 0 0 341.279 4.577 50 0 EJAARN CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(-c3nccs3)cc2)C1(C)C ZINC000024541676 563872118 /nfs/dbraw/zinc/87/21/18/563872118.db2.gz JLINGDSVELYWNQ-CVEARBPZSA-N 0 0 326.465 4.987 50 0 EJAARN CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(-c3nccs3)cc2)C1(C)C ZINC000024541688 563872503 /nfs/dbraw/zinc/87/25/03/563872503.db2.gz JLINGDSVELYWNQ-JKSUJKDBSA-N 0 0 326.465 4.987 50 0 EJAARN Cc1nc(-c2ccccc2)ccc1C(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000024884480 563877286 /nfs/dbraw/zinc/87/72/86/563877286.db2.gz WGNZALMLOFEMRF-WIYYLYMNSA-N 0 0 334.463 4.852 50 0 EJAARN Cc1nc(-c2ccccc2)ccc1C(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000024884455 563877349 /nfs/dbraw/zinc/87/73/49/563877349.db2.gz WGNZALMLOFEMRF-RXVVDRJESA-N 0 0 334.463 4.852 50 0 EJAARN O=C(Nc1cccc(Cl)c1)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000024961144 563878300 /nfs/dbraw/zinc/87/83/00/563878300.db2.gz AFBKLMLNNUJTQO-UHFFFAOYSA-N 0 0 332.190 4.636 50 0 EJAARN CCCCCc1ccc(NC(=O)c2cc3ccccc3[nH]c2=O)cc1 ZINC000025152249 563881566 /nfs/dbraw/zinc/88/15/66/563881566.db2.gz APMMUTOBTLGNLL-UHFFFAOYSA-N 0 0 334.419 4.513 50 0 EJAARN c1nc(CN[C@H](c2ccccc2)c2ccccn2)oc1-c1ccccc1 ZINC000025419637 563884688 /nfs/dbraw/zinc/88/46/88/563884688.db2.gz AMRBVXIVHOPJNP-JOCHJYFZSA-N 0 0 341.414 4.616 50 0 EJAARN CC(C)c1ccc(-c2nc(C(=O)N(C)[C@H](C)C3CC3)cs2)cc1 ZINC000025716317 563887698 /nfs/dbraw/zinc/88/76/98/563887698.db2.gz HIQUAIMOMVODFY-CYBMUJFWSA-N 0 0 328.481 4.804 50 0 EJAARN ON1c2cc(Cl)c(Cl)cc2NN=C1c1cccc(Cl)c1 ZINC000025759392 563888073 /nfs/dbraw/zinc/88/80/73/563888073.db2.gz MNTXDTSSZICPPF-UHFFFAOYSA-N 0 0 328.586 4.630 50 0 EJAARN O=C(NCc1cccs1)c1ccccc1Nc1ccc(F)cc1 ZINC000027625494 563897594 /nfs/dbraw/zinc/89/75/94/563897594.db2.gz ZDRBSTUQSCHLSC-UHFFFAOYSA-N 0 0 326.396 4.561 50 0 EJAARN Cc1c(C(=O)Nc2nonc2-c2ccccc2)oc2cc(C)cc(C)c12 ZINC000027663412 563898383 /nfs/dbraw/zinc/89/83/83/563898383.db2.gz KITIUHAFVLYVPD-UHFFFAOYSA-N 0 0 347.374 4.660 50 0 EJAARN Cc1cccc2c(=O)cc(C(=O)Nc3ccc(Cl)cc3Cl)oc12 ZINC000027995121 563901101 /nfs/dbraw/zinc/90/11/01/563901101.db2.gz YZQWBPRYVYWXAJ-UHFFFAOYSA-N 0 0 348.185 4.661 50 0 EJAARN Cc1ccc2cc(COC(=O)Cc3cccs3)c(Cl)nc2c1 ZINC000028136432 563901431 /nfs/dbraw/zinc/90/14/31/563901431.db2.gz UIEBDERCYQAGRO-UHFFFAOYSA-N 0 0 331.824 4.544 50 0 EJAARN O=C(c1ccccc1)N(Cc1c(F)cccc1Cl)c1ccccn1 ZINC000028289589 563902147 /nfs/dbraw/zinc/90/21/47/563902147.db2.gz SERIAGKGOQEFPE-UHFFFAOYSA-N 0 0 340.785 4.721 50 0 EJAARN CCC(CC)C(=O)N(Cc1c(F)cccc1Cl)c1ccccn1 ZINC000028404157 563902797 /nfs/dbraw/zinc/90/27/97/563902797.db2.gz IWNDWXWTEYBOAW-UHFFFAOYSA-N 0 0 334.822 4.844 50 0 EJAARN CC(C)c1ccc(C(=O)[C@@H](C)Sc2nnc(N)s2)c(C(C)C)c1 ZINC000028669147 563903737 /nfs/dbraw/zinc/90/37/37/563903737.db2.gz OZJQFAGULVGLBO-LLVKDONJSA-N 0 0 349.525 4.731 50 0 EJAARN Fc1cccc(-c2nc(CN3CCC[C@@H]3c3cccs3)co2)c1 ZINC000028962556 563904641 /nfs/dbraw/zinc/90/46/41/563904641.db2.gz GDLCKFXNVQKBBM-MRXNPFEDSA-N 0 0 328.412 4.879 50 0 EJAARN COCc1cccc(NC(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)c1 ZINC000029146682 563905008 /nfs/dbraw/zinc/90/50/08/563905008.db2.gz MOWFGLHPMDWSLK-UHFFFAOYSA-N 0 0 336.435 4.864 50 0 EJAARN O=C(CCCc1cccs1)NCC1(c2ccccc2)CCCC1 ZINC000029412227 563906237 /nfs/dbraw/zinc/90/62/37/563906237.db2.gz OLCAWIJYVFHOLV-UHFFFAOYSA-N 0 0 327.493 4.699 50 0 EJAARN O=C(CCc1ccsc1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000029702049 563908023 /nfs/dbraw/zinc/90/80/23/563908023.db2.gz QILXHUKFJCMCNR-OAQYLSRUSA-N 0 0 347.483 4.855 50 0 EJAARN CN(C(=O)c1cc(-c2ccncc2)nc2ccccc21)C1CCCCC1 ZINC000070715837 563908643 /nfs/dbraw/zinc/90/86/43/563908643.db2.gz MOALSTXSGICZJP-UHFFFAOYSA-N 0 0 345.446 4.702 50 0 EJAARN Cc1c(C(=O)N2c3ccccc3C[C@H]2C)sc2nc(C)cc(C)c12 ZINC000030011833 563909328 /nfs/dbraw/zinc/90/93/28/563909328.db2.gz GLEARKLIISJUKI-CYBMUJFWSA-N 0 0 336.460 4.813 50 0 EJAARN Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)sc2nc(C)cc(C)c12 ZINC000030011834 563909344 /nfs/dbraw/zinc/90/93/44/563909344.db2.gz GLEARKLIISJUKI-ZDUSSCGKSA-N 0 0 336.460 4.813 50 0 EJAARN Cc1cc(C(=O)Nc2ccccc2Oc2ccccc2Cl)no1 ZINC000030061004 563909441 /nfs/dbraw/zinc/90/94/41/563909441.db2.gz GBGQTGUFBFUSFD-UHFFFAOYSA-N 0 0 328.755 4.681 50 0 EJAARN FC(F)(F)c1nc2ccccc2c(NCc2ccccc2Cl)n1 ZINC000032544597 563913944 /nfs/dbraw/zinc/91/39/44/563913944.db2.gz NDAGWHSGDHOQCR-UHFFFAOYSA-N 0 0 337.732 4.914 50 0 EJAARN Cc1sc(CNC(=O)c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000032627837 563914186 /nfs/dbraw/zinc/91/41/86/563914186.db2.gz IZNLIBZPMCTMSF-UHFFFAOYSA-N 0 0 342.851 4.702 50 0 EJAARN CCc1onc(C)c1[C@@H]1CCCN1C(=O)Nc1ccccc1Cl ZINC000033270639 563915643 /nfs/dbraw/zinc/91/56/43/563915643.db2.gz ICYBJYYJJNDHFQ-AWEZNQCLSA-N 0 0 333.819 4.568 50 0 EJAARN CCc1onc(C)c1[C@@H]1CCCN1C(=O)Nc1cccc(C)c1C ZINC000033270603 563915645 /nfs/dbraw/zinc/91/56/45/563915645.db2.gz UBGRRISFRUHQPO-INIZCTEOSA-N 0 0 327.428 4.531 50 0 EJAARN COc1ccc([C@@H]2CC(=O)C[C@@H](c3ccc(OC)cc3)S2)cc1 ZINC000000225221 563917115 /nfs/dbraw/zinc/91/71/15/563917115.db2.gz ICRGSDQNZOTTTN-OALUTQOASA-N 0 0 328.433 4.582 50 0 EJAARN Cc1ccc(C2(c3ccc(C)cc3)C[C@H]2C(=O)Nc2ccncc2)cc1 ZINC000000335352 563917297 /nfs/dbraw/zinc/91/72/97/563917297.db2.gz MISGYSWXLAXQAX-NRFANRHFSA-N 0 0 342.442 4.643 50 0 EJAARN O=C(CSCc1nc2ccccc2[nH]1)Nc1ccc2ccccc2c1 ZINC000000446311 563917508 /nfs/dbraw/zinc/91/75/08/563917508.db2.gz UCPAPCWOXXMNFC-UHFFFAOYSA-N 0 0 347.443 4.588 50 0 aggregator EJAARN CSc1nnc(-c2sc3cc(Cl)ccc3c2Cl)n1C ZINC000000615973 563917724 /nfs/dbraw/zinc/91/77/24/563917724.db2.gz PLLAACGAWIQPCF-UHFFFAOYSA-N 0 0 330.265 4.726 50 0 EJAARN C[C@@]1(c2ccc(Cl)cc2)O[C@@H](COC(=O)c2ccccc2)CS1 ZINC000034414787 563917795 /nfs/dbraw/zinc/91/77/95/563917795.db2.gz HTJOZLLKWHGABZ-FUHWJXTLSA-N 0 0 348.851 4.502 50 0 EJAARN COc1cccc(NC(=O)C2C(c3ccccc3)=C2c2ccccc2)c1 ZINC000001168477 563917803 /nfs/dbraw/zinc/91/78/03/563917803.db2.gz DRDOIJXNVNEZIF-UHFFFAOYSA-N 0 0 341.410 4.875 50 0 EJAARN COc1ccc(Cl)cc1-c1cc(=O)oc(/C=C/c2ccccc2)n1 ZINC000019809258 563918163 /nfs/dbraw/zinc/91/81/63/563918163.db2.gz QVEAPUFIRSAQOX-JXMROGBWSA-N 0 0 339.778 4.534 50 0 EJAARN Oc1ccccc1-c1cc(-c2ccccc2O)nc(-c2ccccc2)n1 ZINC000003075246 563918769 /nfs/dbraw/zinc/91/87/69/563918769.db2.gz IOGNJAKULBEEEN-UHFFFAOYSA-N 0 0 340.382 4.889 50 0 EJAARN Cc1[nH]nc(-c2ccc(C)cc2C)c1NC(=O)Nc1ccccc1C ZINC000034796622 563919734 /nfs/dbraw/zinc/91/97/34/563919734.db2.gz FEBSWRJXMJKTTG-UHFFFAOYSA-N 0 0 334.423 4.954 50 0 EJAARN C[C@H](NC(=O)[C@@H]1CC1(Cl)Cl)c1ccc(-c2ccccc2)cc1 ZINC000032978375 563920512 /nfs/dbraw/zinc/92/05/12/563920512.db2.gz DFUGJOZIEKEUPY-LRDDRELGSA-N 0 0 334.246 4.725 50 0 EJAARN Cc1ccc(N2C(=O)CS[C@@H]2c2cccc3cccnc32)c(C)c1 ZINC000039050016 563922419 /nfs/dbraw/zinc/92/24/19/563922419.db2.gz UGSDCFBILCGGGT-HXUWFJFHSA-N 0 0 334.444 4.630 50 0 EJAARN COc1cccc(CN(C)C(=O)c2sccc2-c2ccccc2)c1 ZINC000032999570 563924484 /nfs/dbraw/zinc/92/44/84/563924484.db2.gz BKBICEJCWBKCTR-UHFFFAOYSA-N 0 0 337.444 4.696 50 0 EJAARN CC[C@H](C)Sc1ccc(NC(=O)[C@H]2CCOC2)c(C(F)(F)F)c1 ZINC000060306422 563924785 /nfs/dbraw/zinc/92/47/85/563924785.db2.gz SXCDAEOTHDUENZ-QWRGUYRKSA-N 0 0 347.402 4.571 50 0 EJAARN CCCCCOc1ccc(C(=O)c2ccc(C3OCCO3)s2)cc1 ZINC000043210429 563925286 /nfs/dbraw/zinc/92/52/86/563925286.db2.gz WGZKOJASSCLQGG-UHFFFAOYSA-N 0 0 346.448 4.594 50 0 EJAARN Cc1cccc(-c2noc(-c3cccc(NC(=O)C(C)(C)C)c3)n2)c1 ZINC000033012734 563925776 /nfs/dbraw/zinc/92/57/76/563925776.db2.gz OWNXHWBAIVELTJ-UHFFFAOYSA-N 0 0 335.407 4.697 50 0 EJAARN COc1ccc([C@@H](CC(C)C)NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000044845020 563927005 /nfs/dbraw/zinc/92/70/05/563927005.db2.gz WVSNCQFPRFGSFE-LJQANCHMSA-N 0 0 345.870 4.795 50 0 EJAARN COc1ccc2cc([C@@H](C)C(=O)Nc3cc(F)ccc3F)ccc2c1 ZINC000047340139 563929778 /nfs/dbraw/zinc/92/97/78/563929778.db2.gz HHBXXLKQWSFWDN-GFCCVEGCSA-N 0 0 341.357 4.869 50 0 EJAARN CCCCC(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000013586470 563930444 /nfs/dbraw/zinc/93/04/44/563930444.db2.gz USYDGSXEKYPSDH-UHFFFAOYSA-N 0 0 331.419 4.939 50 0 in-vivo EJAARN CC(C)(C)C(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000013586472 563930486 /nfs/dbraw/zinc/93/04/86/563930486.db2.gz NXDIUBGJWKDMMT-UHFFFAOYSA-N 0 0 331.419 4.795 50 0 EJAARN CC(C)(C)OC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000083501865 563931792 /nfs/dbraw/zinc/93/17/92/563931792.db2.gz RFFNYAOHCLVHST-UHFFFAOYSA-N 0 0 340.139 4.815 50 0 EJAARN CCC(C)(C)C1CCC(NC(=S)NCc2ccc(F)cc2)CC1 ZINC000013775484 563933064 /nfs/dbraw/zinc/93/30/64/563933064.db2.gz XUWMRFQARNCCDD-UHFFFAOYSA-N 0 0 336.520 4.785 50 0 EJAARN Cc1cc2[nH]c(C(=O)N(C)Cc3ccc([C@@H]4C[C@@H]4C)o3)cc2c(C)c1 ZINC000058006570 563936476 /nfs/dbraw/zinc/93/64/76/563936476.db2.gz TVAXNUDGNPOJMF-WMLDXEAASA-N 0 0 336.435 4.773 50 0 EJAARN C[C@H](NCc1ccccc1Cl)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000058148740 563937907 /nfs/dbraw/zinc/93/79/07/563937907.db2.gz WPBRHFPEANOZOL-AWEZNQCLSA-N 0 0 344.886 4.754 50 0 EJAARN Cc1cccc(OC(F)F)c1NC(=O)CCCc1cccs1 ZINC000058163030 563938538 /nfs/dbraw/zinc/93/85/38/563938538.db2.gz NADYHKHADSVJQZ-UHFFFAOYSA-N 0 0 325.380 4.619 50 0 EJAARN O=C(Nc1cccc(Cl)c1Sc1ccccn1)c1ccco1 ZINC000058166370 563938762 /nfs/dbraw/zinc/93/87/62/563938762.db2.gz GQNOSXHWGSIFRZ-UHFFFAOYSA-N 0 0 330.796 4.732 50 0 EJAARN CCc1cc2c(ncnc2N[C@@H](c2ccccc2)[C@@H]2CCCO2)s1 ZINC000058217485 563940084 /nfs/dbraw/zinc/94/00/84/563940084.db2.gz NVDDZKKWHPNRQN-IRXDYDNUSA-N 0 0 339.464 4.586 50 0 EJAARN O=C(c1ccc(Cl)cc1F)N(Cc1ccsc1)c1cccnc1 ZINC000058265931 563941177 /nfs/dbraw/zinc/94/11/77/563941177.db2.gz XVKNSJZWIOPZFQ-UHFFFAOYSA-N 0 0 346.814 4.783 50 0 EJAARN Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000058356849 563943488 /nfs/dbraw/zinc/94/34/88/563943488.db2.gz JCGPYVGAZLARJE-LBPRGKRZSA-N 0 0 347.418 4.679 50 0 EJAARN Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000058356848 563943501 /nfs/dbraw/zinc/94/35/01/563943501.db2.gz JCGPYVGAZLARJE-GFCCVEGCSA-N 0 0 347.418 4.679 50 0 EJAARN COc1ccc2oc(C)c(C(=O)Nc3cccc(-c4cnco4)c3)c2c1 ZINC000058366810 563943884 /nfs/dbraw/zinc/94/38/84/563943884.db2.gz NVLXHCOTAMFLDL-UHFFFAOYSA-N 0 0 348.358 4.657 50 0 EJAARN O=C(Nc1cccc(OC2CCCC2)c1)[C@@H]1Cc2ccccc2S1 ZINC000058366862 563943887 /nfs/dbraw/zinc/94/38/87/563943887.db2.gz VFWOFQCKVSASAM-IBGZPJMESA-N 0 0 339.460 4.664 50 0 EJAARN CC(=O)c1c(C)cc(C)c(CNc2ccccc2-n2cccn2)c1C ZINC000058394197 563944878 /nfs/dbraw/zinc/94/48/78/563944878.db2.gz MWQYFKVOLOIKTO-UHFFFAOYSA-N 0 0 333.435 4.612 50 0 EJAARN Cc1ccsc1CNC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000058404287 563944984 /nfs/dbraw/zinc/94/49/84/563944984.db2.gz SLLUYDCRVAOTKZ-UHFFFAOYSA-N 0 0 334.444 4.949 50 0 EJAARN CC[C@@H](NC(=O)[C@@H](C)c1c(C)noc1C)C12CC3CC(CC(C3)C1)C2 ZINC000058419528 563945704 /nfs/dbraw/zinc/94/57/04/563945704.db2.gz SOMGHNAOCKBOGS-CJAGJDIGSA-N 0 0 344.499 4.506 50 0 EJAARN Cc1ccc2nc(C)c(C(=O)N3CCCc4ccc(F)cc43)cc2c1 ZINC000058419337 563945745 /nfs/dbraw/zinc/94/57/45/563945745.db2.gz ZADZKVADUXLZSC-UHFFFAOYSA-N 0 0 334.394 4.584 50 0 EJAARN CCn1ccc2cc(NC(=O)c3oc4ccccc4c3COC)ccc21 ZINC000058426381 563946052 /nfs/dbraw/zinc/94/60/52/563946052.db2.gz ZDAHLNSOAGWKCS-UHFFFAOYSA-N 0 0 348.402 4.806 50 0 EJAARN COc1ccc(C2(C(=O)Nc3nc(C)c(C)s3)CCCCC2)cc1 ZINC000058429525 563946153 /nfs/dbraw/zinc/94/61/53/563946153.db2.gz CYUATGVTUOIVCZ-UHFFFAOYSA-N 0 0 344.480 4.609 50 0 EJAARN CC[C@@H]1CCCN(C(=O)Nc2ccc3nc(C4CC4)sc3c2)C1 ZINC000058454242 563946577 /nfs/dbraw/zinc/94/65/77/563946577.db2.gz OGPYGSSHWKQVQG-GFCCVEGCSA-N 0 0 329.469 4.828 50 0 EJAARN Cc1cc(C)cc(NC(=O)CNC(c2ccccc2)c2ccccc2)c1 ZINC000058447237 563946614 /nfs/dbraw/zinc/94/66/14/563946614.db2.gz IHJNDTDHXHTBDA-UHFFFAOYSA-N 0 0 344.458 4.621 50 0 EJAARN COc1ccc(CN(C(=O)c2ccccc2Cl)[C@H](C)C2CC2)cc1 ZINC000058642508 563947082 /nfs/dbraw/zinc/94/70/82/563947082.db2.gz PXFLQJFFOYMHAS-CQSZACIVSA-N 0 0 343.854 4.790 50 0 EJAARN O=C(N[C@H](c1ccccc1)C(F)(F)F)c1ccc2ccccc2c1 ZINC000059301583 563947970 /nfs/dbraw/zinc/94/79/70/563947970.db2.gz YKICNGKITLABCP-QGZVFWFLSA-N 0 0 329.321 4.873 50 0 EJAARN CC(C)Cc1ccc([C@@H](NCc2nnc(C(C)C)o2)C(C)C)cc1 ZINC000060371453 563949295 /nfs/dbraw/zinc/94/92/95/563949295.db2.gz GFDYKIUJWHQDIL-IBGZPJMESA-N 0 0 329.488 4.878 50 0 EJAARN COc1ccc(-c2cnc(CN[C@@H](C)c3ccc(Cl)cc3)o2)cc1 ZINC000060105726 563949678 /nfs/dbraw/zinc/94/96/78/563949678.db2.gz XSINGSLCYKLSIT-ZDUSSCGKSA-N 0 0 342.826 4.854 50 0 EJAARN Cc1ccc(SCC(F)(F)F)c(NCc2nnc(C3CC3)o2)c1 ZINC000096461392 563954050 /nfs/dbraw/zinc/95/40/50/563954050.db2.gz OCHKOEDNJWJYEP-UHFFFAOYSA-N 0 0 343.374 4.522 50 0 EJAARN C[C@@H](Sc1ncc[nH]1)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000096465975 563954252 /nfs/dbraw/zinc/95/42/52/563954252.db2.gz JDZFOHWHHRUGKB-SSDOTTSWSA-N 0 0 341.223 4.620 50 0 EJAARN Cc1nnc(CS[C@@H](c2ccccc2)c2ccc(F)c(F)c2)o1 ZINC000096467866 563954408 /nfs/dbraw/zinc/95/44/08/563954408.db2.gz BFYUWLNTIBBRFK-KRWDZBQOSA-N 0 0 332.375 4.679 50 0 EJAARN C[C@H](c1cccs1)S(=O)(=O)[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000096471557 563954680 /nfs/dbraw/zinc/95/46/80/563954680.db2.gz CDJTYNLYLQAJBI-OLZOCXBDSA-N 0 0 347.461 4.640 50 0 EJAARN CC(C)Oc1ccccc1CN1CCC[C@H]1c1cc(C(C)C)no1 ZINC000064984501 563957474 /nfs/dbraw/zinc/95/74/74/563957474.db2.gz RUKFMSZHDHMDLE-SFHVURJKSA-N 0 0 328.456 4.922 50 0 EJAARN CCCc1cc([C@H]2CCCN2C(=O)Nc2ccccc2Cl)no1 ZINC000064984819 563957790 /nfs/dbraw/zinc/95/77/90/563957790.db2.gz VEIQLTZMWWLJJZ-MRXNPFEDSA-N 0 0 333.819 4.650 50 0 EJAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2cc(C(C)C)on2)cc1F ZINC000064984892 563957805 /nfs/dbraw/zinc/95/78/05/563957805.db2.gz LQUARWFDTRVGNP-MRXNPFEDSA-N 0 0 331.391 4.615 50 0 EJAARN CCc1ccc(NC(=O)N2CCC[C@@H]2c2cc(C(C)C)no2)cc1 ZINC000064984997 563957817 /nfs/dbraw/zinc/95/78/17/563957817.db2.gz PZHLVQHPONWFGW-QGZVFWFLSA-N 0 0 327.428 4.729 50 0 EJAARN CCc1cc([C@@H]2CCCN2C(=O)Nc2cc(Cl)ccc2C)on1 ZINC000064985062 563957871 /nfs/dbraw/zinc/95/78/71/563957871.db2.gz WLQONRBIHXTMRP-HNNXBMFYSA-N 0 0 333.819 4.568 50 0 EJAARN CSCCc1c(-c2ccccc2)ncn1[C@H](C)c1csc(C)n1 ZINC000065373139 563958692 /nfs/dbraw/zinc/95/86/92/563958692.db2.gz ANPMBJVQVHMJTM-CYBMUJFWSA-N 0 0 343.521 4.830 50 0 EJAARN COc1cc(-c2c(-c3ccccc3)ncn2CCF)cc(Cl)c1O ZINC000065470513 563961413 /nfs/dbraw/zinc/96/14/13/563961413.db2.gz STUVQFINLZBJDW-UHFFFAOYSA-N 0 0 346.789 4.554 50 0 EJAARN Cc1cc(=O)oc2cc(-c3c(-c4ccccc4)ncn3CCF)ccc12 ZINC000065492369 563961508 /nfs/dbraw/zinc/96/15/08/563961508.db2.gz WPIMHPCFDIZOKG-UHFFFAOYSA-N 0 0 348.377 4.601 50 0 EJAARN Cc1cc(-c2c(-c3ccccc3)ncn2Cc2cccnc2)oc1C ZINC000065505594 563961722 /nfs/dbraw/zinc/96/17/22/563961722.db2.gz NPBVGQCLKLBISJ-UHFFFAOYSA-N 0 0 329.403 4.870 50 0 EJAARN CC(C)(C)c1noc(Cn2cnc(-c3ccccc3)c2-c2ccoc2)n1 ZINC000065508213 563961773 /nfs/dbraw/zinc/96/17/73/563961773.db2.gz DPIXFMFCAFUHBR-UHFFFAOYSA-N 0 0 348.406 4.539 50 0 EJAARN Cc1cc(NC(=O)Nc2ccccc2)ccc1NC(=O)c1ccccc1 ZINC000066054489 563962146 /nfs/dbraw/zinc/96/21/46/563962146.db2.gz ZOWWBCZXWIOJOA-UHFFFAOYSA-N 0 0 345.402 4.891 50 0 EJAARN Cc1ccc(NC(=O)[C@@H](C)SC/C=C\c2ccccc2)cc1F ZINC000096809642 563962495 /nfs/dbraw/zinc/96/24/95/563962495.db2.gz XYCCCVGJGWRBNA-WUKHSURWSA-N 0 0 329.440 4.908 50 0 EJAARN CC(C)NC(=O)Cc1c2ccccc2[nH]c1Sc1cccc(F)c1 ZINC000033116312 563963583 /nfs/dbraw/zinc/96/35/83/563963583.db2.gz ORUVGLHANYMZNJ-UHFFFAOYSA-N 0 0 342.439 4.525 50 0 EJAARN COc1ccc(-c2cn3cc(-c4cccc(Cl)c4)nc3n2C)cc1 ZINC000004678391 563963828 /nfs/dbraw/zinc/96/38/28/563963828.db2.gz GTZONYQUYYZWMM-UHFFFAOYSA-N 0 0 337.810 4.669 50 0 EJAARN Clc1ccc(COc2ccc(-c3ccnc4ccnn43)cc2)cc1 ZINC000071384684 563964200 /nfs/dbraw/zinc/96/42/00/563964200.db2.gz BKIHHNAHSUYWRL-UHFFFAOYSA-N 0 0 335.794 4.629 50 0 EJAARN CC(C)N(C(=O)c1ccccn1)c1ccc(Nc2ccccc2)cc1 ZINC000060542922 563964856 /nfs/dbraw/zinc/96/48/56/563964856.db2.gz HZMJFIDQIUJTNZ-UHFFFAOYSA-N 0 0 331.419 4.880 50 0 EJAARN Cc1[nH]c2ccc(CNc3nc(C(F)(F)F)nc(C)c3C)cc2c1C ZINC000071753747 563965211 /nfs/dbraw/zinc/96/52/11/563965211.db2.gz PGMVPMLSWPBWRR-UHFFFAOYSA-N 0 0 348.372 4.822 50 0 EJAARN CSc1ccc([C@@](C)(O)[C@@H](c2ccccc2)c2ccccn2)cc1 ZINC000071767164 563965545 /nfs/dbraw/zinc/96/55/45/563965545.db2.gz BZMSVJSCYVEWBD-LEWJYISDSA-N 0 0 335.472 4.843 50 0 EJAARN C[C@@H](Cc1ccsc1)n1ccnc1-c1ccc(-n2ccnc2)cc1 ZINC000071776292 563965734 /nfs/dbraw/zinc/96/57/34/563965734.db2.gz NLPYCWSGKWXLME-HNNXBMFYSA-N 0 0 334.448 4.601 50 0 EJAARN CCCCCc1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 ZINC000004723913 563966100 /nfs/dbraw/zinc/96/61/00/563966100.db2.gz RJZPSJDZWNSIPR-UHFFFAOYSA-N 0 0 344.267 4.830 50 0 EJAARN Cc1nnc(CSC(c2ccc(F)cc2)c2ccc(F)cc2)o1 ZINC000096997060 563966577 /nfs/dbraw/zinc/96/65/77/563966577.db2.gz QLZAYVKWCPIFNM-UHFFFAOYSA-N 0 0 332.375 4.679 50 0 EJAARN COCCN(Cc1cccs1)C(=O)Nc1cccc2ccccc21 ZINC000022380532 563967003 /nfs/dbraw/zinc/96/70/03/563967003.db2.gz VDKDCFSAFPRDQY-UHFFFAOYSA-N 0 0 340.448 4.582 50 0 EJAARN O[C@@H](c1sccc1-c1ncc[nH]1)c1ccc(Cl)cc1Cl ZINC000075270706 563967166 /nfs/dbraw/zinc/96/71/66/563967166.db2.gz JKBYEVQJKGZTAZ-GFCCVEGCSA-N 0 0 325.220 4.527 50 0 EJAARN Cc1ncsc1C(=O)N(C)Cc1ccc(Oc2ccccc2)cc1 ZINC000077406254 563969443 /nfs/dbraw/zinc/96/94/43/563969443.db2.gz HTKVRVGVEDQDTG-UHFFFAOYSA-N 0 0 338.432 4.516 50 0 EJAARN CCn1ccc2ccc(CN3CCC[C@@H]3c3nc(C(C)C)no3)cc21 ZINC000077566419 563970376 /nfs/dbraw/zinc/97/03/76/563970376.db2.gz HTMZAANFDWISAU-QGZVFWFLSA-N 0 0 338.455 4.505 50 0 EJAARN O=C(/C=C/c1ccsc1)NCCc1nc(C2CCCCC2)cs1 ZINC000072275347 563971155 /nfs/dbraw/zinc/97/11/55/563971155.db2.gz FTITUHXICKVADG-VOTSOKGWSA-N 0 0 346.521 4.624 50 0 EJAARN Cc1cccc(C(C)(C)CNC(=O)c2ccccc2C(F)(F)F)c1 ZINC000060184558 563973517 /nfs/dbraw/zinc/97/35/17/563973517.db2.gz QJXLIEHZHSHTAQ-UHFFFAOYSA-N 0 0 335.369 4.721 50 0 EJAARN CCCc1cc(C(=O)Nc2ccc3c(c2)oc2ccccc23)n(C)n1 ZINC000004770128 563973643 /nfs/dbraw/zinc/97/36/43/563973643.db2.gz HOIGDBXXXNTCRD-UHFFFAOYSA-N 0 0 333.391 4.524 50 0 EJAARN CC(C)(C)c1ccc(CNC(=O)c2ccc(Br)cc2)cc1 ZINC000084847107 563973660 /nfs/dbraw/zinc/97/36/60/563973660.db2.gz XENWCUSSJGVWQX-UHFFFAOYSA-N 0 0 346.268 4.677 50 0 EJAARN COc1ccccc1[C@H](NCc1ncc(C)o1)c1ccccc1Cl ZINC000127995286 563973744 /nfs/dbraw/zinc/97/37/44/563973744.db2.gz LXQZBZDAASXRPU-LJQANCHMSA-N 0 0 342.826 4.524 50 0 EJAARN O=C(NCc1ccccc1)c1ccc(Br)c2ccccc12 ZINC000085477198 563973829 /nfs/dbraw/zinc/97/38/29/563973829.db2.gz SFAMGLYGUTYURU-UHFFFAOYSA-N 0 0 340.220 4.532 50 0 EJAARN O=C(NC[C@H](c1ccco1)c1cccs1)c1ccccc1Cl ZINC000585146790 563973925 /nfs/dbraw/zinc/97/39/25/563973925.db2.gz QDRSMQROQIXYBC-CYBMUJFWSA-N 0 0 331.824 4.556 50 0 EJAARN CC(=O)Nc1ccc(Nc2nc(-c3ccc(F)c(C)c3)cs2)cc1 ZINC000000070733 563974160 /nfs/dbraw/zinc/97/41/60/563974160.db2.gz HSHFBOJAFSWWTI-UHFFFAOYSA-N 0 0 341.411 4.960 50 0 EJAARN Cc1ccc2[nH]c(-c3cccc(NC(=O)c4ccc(F)cc4)c3)nc2c1 ZINC000033328619 563974291 /nfs/dbraw/zinc/97/42/91/563974291.db2.gz STVRHEMBCGLNSO-UHFFFAOYSA-N 0 0 345.377 4.930 50 0 EJAARN CCCc1nc(-c2cc3cc(C)ccc3nc2NCc2ccco2)no1 ZINC000033331528 563974438 /nfs/dbraw/zinc/97/44/38/563974438.db2.gz RMITYXLAPMLCOB-UHFFFAOYSA-N 0 0 348.406 4.751 50 0 EJAARN Cc1nc(-c2cc3cccc(C)c3nc2NCc2cccc(C)c2)no1 ZINC000033331373 563974440 /nfs/dbraw/zinc/97/44/40/563974440.db2.gz NUMZYYDUGUZFHI-UHFFFAOYSA-N 0 0 344.418 4.822 50 0 EJAARN Cc1nc(-c2cc3cccc(C)c3nc2NCc2cccs2)no1 ZINC000033331601 563974442 /nfs/dbraw/zinc/97/44/42/563974442.db2.gz STSCNPGTHKEEGT-UHFFFAOYSA-N 0 0 336.420 4.575 50 0 EJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc2ccccc2c(=O)s1 ZINC000000079337 563974585 /nfs/dbraw/zinc/97/45/85/563974585.db2.gz SJGDJSGBQONOOP-UHFFFAOYSA-N 0 0 349.333 4.533 50 0 EJAARN Oc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 ZINC000089221712 563974675 /nfs/dbraw/zinc/97/46/75/563974675.db2.gz QHKYPYXTTXKZST-UHFFFAOYSA-N 0 0 331.350 4.650 50 0 in-vivo EJAARN O=C(CCCc1nc2ccccc2s1)Nc1ccc2ncccc2c1 ZINC000060788250 563974777 /nfs/dbraw/zinc/97/47/77/563974777.db2.gz GSPGTXROADNPPS-UHFFFAOYSA-N 0 0 347.443 4.806 50 0 EJAARN O=C(Nc1nc2c(ccc(Cl)c2Cl)s1)[C@H]1CC=CCC1 ZINC000011377679 563974824 /nfs/dbraw/zinc/97/48/24/563974824.db2.gz FFMWBRSONFJOQJ-QMMMGPOBSA-N 0 0 327.236 4.898 50 0 EJAARN CC[C@H](c1cccnc1)N(C)C(=O)c1[nH]c2c(cc(C)cc2C)c1C ZINC000091325926 563975298 /nfs/dbraw/zinc/97/52/98/563975298.db2.gz QZILXEACQZFXAB-GOSISDBHSA-N 0 0 335.451 4.711 50 0 EJAARN O=C(Oc1ccc2c(c1)occ(-c1ccccc1)c2=O)c1cccs1 ZINC000000085141 563975473 /nfs/dbraw/zinc/97/54/73/563975473.db2.gz OTUMHQHBLKVATJ-UHFFFAOYSA-N 0 0 348.379 4.741 50 0 biogenic EJAARN Brc1ccc(Nc2nc(-c3ccccn3)cs2)cc1 ZINC000000088191 563976436 /nfs/dbraw/zinc/97/64/36/563976436.db2.gz FWCHESSKLZHMFP-UHFFFAOYSA-N 0 0 332.226 4.711 50 0 EJAARN CC(C)OC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCCC2 ZINC000000092912 563976578 /nfs/dbraw/zinc/97/65/78/563976578.db2.gz OXOKRJYUDFNUGN-UHFFFAOYSA-N 0 0 349.496 4.711 50 0 EJAARN COCCC[C@@H]1CCCN(C(=O)Nc2c(C)ccc3ccccc32)C1 ZINC000095519817 563977346 /nfs/dbraw/zinc/97/73/46/563977346.db2.gz ZNJYRUPLASNDKE-KRWDZBQOSA-N 0 0 340.467 4.819 50 0 EJAARN CSC[C@H]1CCCN(C(=O)Nc2ccccc2-c2ccc(C)o2)C1 ZINC000095518791 563977355 /nfs/dbraw/zinc/97/73/55/563977355.db2.gz SMRZCWCMODLCQN-HNNXBMFYSA-N 0 0 344.480 4.862 50 0 EJAARN O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(F)c(F)c1F ZINC000095535199 563977589 /nfs/dbraw/zinc/97/75/89/563977589.db2.gz LTEWGZCIZHNBGA-UHFFFAOYSA-N 0 0 334.219 4.767 50 0 EJAARN O=C(Nc1ccc(F)cc1)Nc1ccc(Br)cc1Cl ZINC000095535237 563977599 /nfs/dbraw/zinc/97/75/99/563977599.db2.gz YVLODHPYWKGXFG-UHFFFAOYSA-N 0 0 343.583 4.886 50 0 EJAARN COc1ccc(-c2ccccc2NC(=O)N2CCC(F)(F)CC2)cc1 ZINC000096152706 563979705 /nfs/dbraw/zinc/97/97/05/563979705.db2.gz GAJTUYMTKOGBLC-UHFFFAOYSA-N 0 0 346.377 4.625 50 0 EJAARN CCOC(=O)[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](O)CC[C@@H]4[C@H]3CC[C@H]2C1 ZINC000247647338 563980057 /nfs/dbraw/zinc/98/00/57/563980057.db2.gz KTWYNZKAJLJVPO-YSUSZQEASA-N 0 0 348.527 4.569 50 0 EJAARN C[C@@H](NC(=O)Nc1cccc(OC(F)(F)F)c1)c1cccs1 ZINC000044018093 563980198 /nfs/dbraw/zinc/98/01/98/563980198.db2.gz QCBIKJKOHXSXHT-SECBINFHSA-N 0 0 330.331 4.529 50 0 EJAARN NC(=O)c1cccc(-c2nc(-c3ccc4ccccc4c3)cs2)c1 ZINC000060844875 563981747 /nfs/dbraw/zinc/98/17/47/563981747.db2.gz YCAYIZRGKWBONV-UHFFFAOYSA-N 0 0 330.412 4.729 50 0 EJAARN C[C@H](NC(=O)c1c[nH]c2ccccc12)c1cccc(C(F)(F)F)c1 ZINC000014141495 563983308 /nfs/dbraw/zinc/98/33/08/563983308.db2.gz CDVWDDJLNFYIPC-NSHDSACASA-N 0 0 332.325 4.678 50 0 EJAARN CCC(NC1CCCCCC1)=C1N=C(c2ccc(Cl)cc2)OC1=O ZINC000110048753 563983617 /nfs/dbraw/zinc/98/36/17/563983617.db2.gz XLZHOYBBBLXTBX-WUKNDPDISA-N 0 0 346.858 4.577 50 0 EJAARN CC(=Cc1cnc(-c2ccco2)s1)c1nc(=O)c2ccsc2[nH]1 ZINC000550974825 563983828 /nfs/dbraw/zinc/98/38/28/563983828.db2.gz WPNANQVFRXPUMM-VQHVLOKHSA-N 0 0 341.417 4.674 50 0 EJAARN C[C@H]1C(=O)c2c(nn(-c3ccccc3)c2-c2ccc(F)cc2)C[C@@H]1C ZINC000000106066 563986462 /nfs/dbraw/zinc/98/64/62/563986462.db2.gz XJEHDQSJBHXWSJ-UONOGXRCSA-N 0 0 334.394 4.689 50 0 EJAARN Cc1ccc(Cn2c(COc3ccccc3)nc3ccccc32)cc1 ZINC000000118484 563986729 /nfs/dbraw/zinc/98/67/29/563986729.db2.gz KLBWWPXFSVEXPV-UHFFFAOYSA-N 0 0 328.415 4.972 50 0 EJAARN COc1cc(OC)cc(-c2nc(-c3ccccc3)c3ccccn32)c1 ZINC000000134586 563986966 /nfs/dbraw/zinc/98/69/66/563986966.db2.gz LQYSIEYYRSVIKK-UHFFFAOYSA-N 0 0 330.387 4.686 50 0 EJAARN CCOC(=O)c1cnc2c(CC)cccc2c1Nc1ccc(F)cc1 ZINC000000131525 563986968 /nfs/dbraw/zinc/98/69/68/563986968.db2.gz ZZEAVNFMCBTZBO-UHFFFAOYSA-N 0 0 338.382 4.857 50 0 EJAARN CC(C)OC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000000137657 563987032 /nfs/dbraw/zinc/98/70/32/563987032.db2.gz JAJQRJISQPALIM-UHFFFAOYSA-N 0 0 332.787 4.549 50 0 EJAARN O=C(CSc1ncnc2sc3c(c21)CCCC3)c1cccs1 ZINC000000137298 563987036 /nfs/dbraw/zinc/98/70/36/563987036.db2.gz SDCWVLCKOCGLEI-UHFFFAOYSA-N 0 0 346.502 4.607 50 0 EJAARN CCc1ccccc1Nc1ncnc2ccc(Br)cc21 ZINC000000140110 563987071 /nfs/dbraw/zinc/98/70/71/563987071.db2.gz ZURAGQKXFWIBLM-UHFFFAOYSA-N 0 0 328.213 4.698 50 0 EJAARN COc1cc(Cl)c(C)cc1NC(=O)Nc1cccc(Cl)c1 ZINC000000145433 563987216 /nfs/dbraw/zinc/98/72/16/563987216.db2.gz KKHLYZGCXJLQQS-UHFFFAOYSA-N 0 0 325.195 4.954 50 0 EJAARN CCOc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2)cc1OCC ZINC000000147441 563987268 /nfs/dbraw/zinc/98/72/68/563987268.db2.gz ZXFAUVOKTHSTDM-PKNBQFBNSA-N 0 0 345.826 4.789 50 0 EJAARN COc1ccc(/C=C/C(=O)Oc2ccc(C(C)(C)C)cc2)c(OC)c1 ZINC000000147516 563987281 /nfs/dbraw/zinc/98/72/81/563987281.db2.gz AKTSELPUFOJAQB-NTUHNPAUSA-N 0 0 340.419 4.620 50 0 EJAARN CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(N)ccc1Cl ZINC000200011456 563987649 /nfs/dbraw/zinc/98/76/49/563987649.db2.gz YZPRSOAXXXOMLJ-UHFFFAOYSA-N 0 0 342.823 4.599 50 0 EJAARN Cc1ccc(C2=N/C(=C\c3ccc(Cl)cc3Cl)C(=O)O2)cc1C ZINC000000178089 563987738 /nfs/dbraw/zinc/98/77/38/563987738.db2.gz WMSHYJZZTJQOFG-PXNMLYILSA-N 0 0 346.213 4.955 50 0 EJAARN CC(=O)Oc1ccc(-c2nc(-c3ccccc3)c3ccccn32)cc1 ZINC000000189844 563987960 /nfs/dbraw/zinc/98/79/60/563987960.db2.gz QSBLLSIWWWSWHS-UHFFFAOYSA-N 0 0 328.371 4.594 50 0 EJAARN CCn1c2ccccc2nc1[C@@H](Cc1ccccc1)NC(=O)C(C)(C)C ZINC000000201104 563988332 /nfs/dbraw/zinc/98/83/32/563988332.db2.gz USXKNLQNZQXTTQ-GOSISDBHSA-N 0 0 349.478 4.502 50 0 EJAARN CC(=O)c1ccc(NC(=O)c2ccc(Cc3ccc(C)cc3)o2)cc1 ZINC000000209578 563988473 /nfs/dbraw/zinc/98/84/73/563988473.db2.gz FULYXAIGAXWZNC-UHFFFAOYSA-N 0 0 333.387 4.634 50 0 EJAARN O=C(Cc1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 ZINC000000210221 563988583 /nfs/dbraw/zinc/98/85/83/563988583.db2.gz WTPKUPZQOANMBU-QFIPXVFZSA-N 0 0 340.426 4.607 50 0 EJAARN CC(=O)Oc1c(Sc2ccc(C)cc2)c(C)nn1-c1ccccc1 ZINC000000212751 563988592 /nfs/dbraw/zinc/98/85/92/563988592.db2.gz WOSLHJJUMRTDMI-UHFFFAOYSA-N 0 0 338.432 4.566 50 0 EJAARN O=C(NC1CCCC1)c1ccc2c(c1)ncn2C1CCCCCC1 ZINC000000221023 563988795 /nfs/dbraw/zinc/98/87/95/563988795.db2.gz UOQIDLGTKLGVCX-UHFFFAOYSA-N 0 0 325.456 4.604 50 0 EJAARN CC(C)c1ccc(-n2cnc3cc(C(=O)NC4CCCC4)ccc32)cc1 ZINC000000223912 563988910 /nfs/dbraw/zinc/98/89/10/563988910.db2.gz MPUGNZJMWFXOPC-UHFFFAOYSA-N 0 0 347.462 4.821 50 0 EJAARN Cc1ccc(-c2nc3cccnc3o2)cc1NC(=O)c1cccs1 ZINC000000235275 563989076 /nfs/dbraw/zinc/98/90/76/563989076.db2.gz LPZGPGBXIPVDQO-UHFFFAOYSA-N 0 0 335.388 4.512 50 0 EJAARN Cc1c(Cl)cccc1NC(=S)N1CCCC[C@H]1c1cccnc1 ZINC000000240200 563989125 /nfs/dbraw/zinc/98/91/25/563989125.db2.gz UNHMGCNGGUWGLF-KRWDZBQOSA-N 0 0 345.899 4.967 50 0 EJAARN Cc1c(NC(=O)c2ccccc2F)cccc1-c1nc2ncccc2o1 ZINC000000118189 563989220 /nfs/dbraw/zinc/98/92/20/563989220.db2.gz BAVJOLWPUKYOGG-UHFFFAOYSA-N 0 0 347.349 4.590 50 0 EJAARN COc1ccc(NC(=O)COc2ccc(Cl)cc2)c2ccccc12 ZINC000000265395 563989952 /nfs/dbraw/zinc/98/99/52/563989952.db2.gz VNTWJJXKCKLGBY-UHFFFAOYSA-N 0 0 341.794 4.519 50 0 EJAARN Cc1oc2ccc(OC(=O)c3ccccc3)cc2c1C(=O)OC(C)C ZINC000000271851 563990034 /nfs/dbraw/zinc/99/00/34/563990034.db2.gz WMLSHXQSFYQJDZ-UHFFFAOYSA-N 0 0 338.359 4.526 50 0 EJAARN CCC[C@H](O)c1nc2ccccc2n1CCOc1ccc(CC)cc1 ZINC000011692497 563991088 /nfs/dbraw/zinc/99/10/88/563991088.db2.gz HXUFBTANPMZPGG-FQEVSTJZSA-N 0 0 338.451 4.511 50 0 EJAARN CCC(=O)Nc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1C ZINC000000319790 563991145 /nfs/dbraw/zinc/99/11/45/563991145.db2.gz XCJCFSOJTOLWOH-UHFFFAOYSA-N 0 0 338.451 4.893 50 0 EJAARN O=C1OC(c2ccccc2)=N/C1=C/c1cccc(Oc2ccccc2)c1 ZINC000000344917 563991421 /nfs/dbraw/zinc/99/14/21/563991421.db2.gz LMLPPLSCDUSBPH-HMMYKYKNSA-N 0 0 341.366 4.823 50 0 EJAARN O=C(Oc1ccccc1-c1nc2ccccc2o1)c1ccccc1F ZINC000000363317 563991671 /nfs/dbraw/zinc/99/16/71/563991671.db2.gz JBPOCJJOFUOBPZ-UHFFFAOYSA-N 0 0 333.318 4.853 50 0 EJAARN Cc1ccc(NC(=O)c2ccc(NC(=O)C3CCCC3)cc2)c(C)c1 ZINC000000365494 563991706 /nfs/dbraw/zinc/99/17/06/563991706.db2.gz 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ZINC000018072858 564017861 /nfs/dbraw/zinc/01/78/61/564017861.db2.gz VMIQBRKRWKDJPB-UHFFFAOYSA-N 0 0 347.414 4.630 50 0 EJAARN COc1ccc(CC(=O)Nc2ccccc2-c2ccccc2)cc1OC ZINC000005676139 564018027 /nfs/dbraw/zinc/01/80/27/564018027.db2.gz FCKHRUQUMJPTAJ-UHFFFAOYSA-N 0 0 347.414 4.552 50 0 EJAARN COc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)NC1CCCCC1 ZINC000000499779 564018437 /nfs/dbraw/zinc/01/84/37/564018437.db2.gz ALDBZDLDKUKLOD-AWEZNQCLSA-N 0 0 330.472 4.830 50 0 EJAARN O=C([C@H](Sc1ccccc1)c1ccccc1)n1nnc2ccccc21 ZINC000005684820 564018580 /nfs/dbraw/zinc/01/85/80/564018580.db2.gz LIZMPEKFDDZTHF-LJQANCHMSA-N 0 0 345.427 4.605 50 0 EJAARN Cc1nc(-c2ccccc2)ccc1C(=O)Nc1cccc2cccnc21 ZINC000018186177 564018642 /nfs/dbraw/zinc/01/86/42/564018642.db2.gz RUGPRFVVMUUZGT-UHFFFAOYSA-N 0 0 339.398 4.858 50 0 EJAARN COC(=O)C1=CS[C@@](Cc2ccccc2)(c2ccccc2)S1 ZINC000018194568 564018681 /nfs/dbraw/zinc/01/86/81/564018681.db2.gz LLSIZJHNEKXLHW-GOSISDBHSA-N 0 0 328.458 4.577 50 0 EJAARN C[C@@H](c1ccccc1)N(C(=O)Nc1ccccc1)C1=NC[C@H](C)S1 ZINC000000503373 564019177 /nfs/dbraw/zinc/01/91/77/564019177.db2.gz WRLMYLQCBSGTDJ-GJZGRUSLSA-N 0 0 339.464 4.773 50 0 EJAARN Cc1cc(CSc2nnc(-c3ccccc3)n2-c2ccccc2)no1 ZINC000005702537 564019492 /nfs/dbraw/zinc/01/94/92/564019492.db2.gz UWMWXHDUPZITCE-UHFFFAOYSA-N 0 0 348.431 4.523 50 0 EJAARN O=C(c1ccccc1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000000522061 564021105 /nfs/dbraw/zinc/02/11/05/564021105.db2.gz WIEIGQJCHVWDFQ-OAHLLOKOSA-N 0 0 338.457 4.801 50 0 EJAARN C/C(Cl)=C\CSc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000000522773 564021133 /nfs/dbraw/zinc/02/11/33/564021133.db2.gz VLRSNBJYHDADPU-CBVZUMJXSA-N 0 0 339.917 4.633 50 0 EJAARN CC(=O)c1sc2nc(-c3cccs3)c3c(c2c1N)CCCC3 ZINC000000534220 564022042 /nfs/dbraw/zinc/02/20/42/564022042.db2.gz AJVKOALJIZJBRQ-UHFFFAOYSA-N 0 0 328.462 4.688 50 0 EJAARN O=C(NCc1ccccc1)c1cccc(Oc2nc3ccccc3o2)c1 ZINC000051207638 564022110 /nfs/dbraw/zinc/02/21/10/564022110.db2.gz NPZMURKDHXLGDK-UHFFFAOYSA-N 0 0 344.370 4.550 50 0 EJAARN CC[C@@H](C)n1c(-c2ccc(OC)cc2)nc2nc3ccccc3nc21 ZINC000000539650 564022294 /nfs/dbraw/zinc/02/22/94/564022294.db2.gz LUNQDXOKYWVXHS-CYBMUJFWSA-N 0 0 332.407 4.626 50 0 EJAARN Cc1oc2ccc(OC(=O)C3CCCCC3)cc2c1C(=O)OC(C)C ZINC000000539126 564022318 /nfs/dbraw/zinc/02/23/18/564022318.db2.gz GUUJZBVDPALOJN-UHFFFAOYSA-N 0 0 344.407 4.792 50 0 EJAARN CCCc1cc(=O)oc2c1ccc1c2CN(c2cc(C)cc(C)c2)CO1 ZINC000000542933 564022425 /nfs/dbraw/zinc/02/24/25/564022425.db2.gz GDSIAESOQUVYKZ-UHFFFAOYSA-N 0 0 349.430 4.719 50 0 EJAARN CCOc1cc2cnc(Nc3ccc(OC)cc3)cc2cc1OCC ZINC000000543229 564022523 /nfs/dbraw/zinc/02/25/23/564022523.db2.gz BPKIDYIGWRBEBL-UHFFFAOYSA-N 0 0 338.407 4.784 50 0 EJAARN O=C(/C=C/c1ccc(SC(F)F)cc1)Nc1ccc(Cl)cn1 ZINC000000544104 564022628 /nfs/dbraw/zinc/02/26/28/564022628.db2.gz KLXCMNWPDYOURJ-FPYGCLRLSA-N 0 0 340.782 4.702 50 0 EJAARN Clc1ccc2c(c1)C=Nc1c(NCc3ccccc3)ncnc1O2 ZINC000000546644 564022748 /nfs/dbraw/zinc/02/27/48/564022748.db2.gz SDWKRCWWPOLYID-UHFFFAOYSA-N 0 0 336.782 4.598 50 0 aggregator EJAARN Cc1ccc(C(=O)N2N=C(c3ccccc3)C[C@H]2c2ccco2)cc1 ZINC000000547328 564022784 /nfs/dbraw/zinc/02/27/84/564022784.db2.gz DYIBOCRQIJQTTP-IBGZPJMESA-N 0 0 330.387 4.580 50 0 EJAARN CC(C)(C)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000000549796 564022935 /nfs/dbraw/zinc/02/29/35/564022935.db2.gz QRJLZVDWLBECPU-HNNXBMFYSA-N 0 0 330.815 4.657 50 0 EJAARN Cc1ccccc1OCCn1cc(C(=O)c2ccco2)c2ccccc21 ZINC000000560609 564023243 /nfs/dbraw/zinc/02/32/43/564023243.db2.gz QNDBBQYNWDYVQT-UHFFFAOYSA-N 0 0 345.398 4.853 50 0 EJAARN O=C(c1ccco1)c1cn(CCOc2ccc(F)cc2)c2ccccc12 ZINC000000560613 564023244 /nfs/dbraw/zinc/02/32/44/564023244.db2.gz DJVWKQWIRUHHSB-UHFFFAOYSA-N 0 0 349.361 4.683 50 0 EJAARN C[C@H]1CCc2nc(NC(=O)c3ccc(Cl)cc3Cl)sc2C1 ZINC000000567892 564023442 /nfs/dbraw/zinc/02/34/42/564023442.db2.gz PWIFMKIJSUPSAI-QMMMGPOBSA-N 0 0 341.263 4.827 50 0 EJAARN CCOc1cccc2sc(NC(=O)c3ccc(Cl)cc3)nc21 ZINC000000567824 564023443 /nfs/dbraw/zinc/02/34/43/564023443.db2.gz HLZYJUUETLFMOD-UHFFFAOYSA-N 0 0 332.812 4.601 50 0 EJAARN O=C1Nc2ccccc2/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000000574864 564024017 /nfs/dbraw/zinc/02/40/17/564024017.db2.gz APBWBPQBYFARAL-XSFVSMFZSA-N 0 0 327.383 4.758 50 0 EJAARN C[C@@H](NC(=O)Cc1c[nH]c2ccccc12)c1cccc2ccccc21 ZINC000015741570 564024305 /nfs/dbraw/zinc/02/43/05/564024305.db2.gz HGBTURFHLAQWNY-OAHLLOKOSA-N 0 0 328.415 4.741 50 0 EJAARN CSc1ccccc1C(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000024584948 564024772 /nfs/dbraw/zinc/02/47/72/564024772.db2.gz CINJWMIUNUJVEN-CYBMUJFWSA-N 0 0 329.490 4.940 50 0 EJAARN C[C@@H]1CCC[C@@H](NC(=O)CSCc2cccc(Cl)c2)[C@H]1C ZINC000105926230 564025367 /nfs/dbraw/zinc/02/53/67/564025367.db2.gz DAUGJXSEMDJQKK-DVOMOZLQSA-N 0 0 325.905 4.514 50 0 EJAARN CN(c1ccccc1)C1CCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000047278772 564026080 /nfs/dbraw/zinc/02/60/80/564026080.db2.gz XHKMYJFSVDGBDA-UHFFFAOYSA-N 0 0 344.458 4.581 50 0 EJAARN CCCCc1ccc(CC(=O)Nc2cc(-c3nnco3)ccc2C)cc1 ZINC000047320496 564026086 /nfs/dbraw/zinc/02/60/86/564026086.db2.gz PKLVICAKOOLYBD-UHFFFAOYSA-N 0 0 349.434 4.569 50 0 EJAARN COc1ccc(/C=C/C(=O)Nc2nc3c(cccc3Cl)s2)cc1 ZINC000003236305 564026236 /nfs/dbraw/zinc/02/62/36/564026236.db2.gz VYVMIOHPNCVPBC-JXMROGBWSA-N 0 0 344.823 4.610 50 0 EJAARN CN(Cc1cccc(O)c1)C(=O)Nc1ccccc1-c1cccs1 ZINC000047396655 564026251 /nfs/dbraw/zinc/02/62/51/564026251.db2.gz LHWINTBWGODOHD-UHFFFAOYSA-N 0 0 338.432 4.785 50 0 EJAARN Cc1cccc(C(=O)Nc2ccc(Sc3nncs3)cc2)c1C ZINC000047418634 564026278 /nfs/dbraw/zinc/02/62/78/564026278.db2.gz YWRMSHBSKCAYJQ-UHFFFAOYSA-N 0 0 341.461 4.558 50 0 EJAARN O=C(c1cc(Cl)cc(Cl)c1)N1CCC(OC2CCCC2)CC1 ZINC000195403135 564026464 /nfs/dbraw/zinc/02/64/64/564026464.db2.gz QCXYYQOZDLMXHN-UHFFFAOYSA-N 0 0 342.266 4.557 50 0 EJAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCc2sccc2C1 ZINC000012215912 564026478 /nfs/dbraw/zinc/02/64/78/564026478.db2.gz MMAMBAIIQKIMED-UHFFFAOYSA-N 0 0 347.483 4.855 50 0 EJAARN CC(C)=C[C@@H]1[C@H](C(=O)N[C@H](c2ccccc2)c2ccncc2)C1(C)C ZINC000107488460 564026943 /nfs/dbraw/zinc/02/69/43/564026943.db2.gz GJHNJNQPARNKHX-VAMGGRTRSA-N 0 0 334.463 4.526 50 0 EJAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(C)c3)n[nH]2)cc1 ZINC000044837850 564027341 /nfs/dbraw/zinc/02/73/41/564027341.db2.gz AVZALDHLPYPYCJ-UHFFFAOYSA-N 0 0 325.799 4.599 50 0 EJAARN O=C(Nc1cc(F)cc(F)c1)c1cc(-c2cccc3ccccc32)[nH]n1 ZINC000044838132 564027347 /nfs/dbraw/zinc/02/73/47/564027347.db2.gz ZEMBLHNELWTCNL-UHFFFAOYSA-N 0 0 349.340 4.760 50 0 EJAARN CCc1ccc(NC(=O)Nc2ccc(Br)cc2C)cc1 ZINC000044844874 564027476 /nfs/dbraw/zinc/02/74/76/564027476.db2.gz YPERERMUSSDKDT-UHFFFAOYSA-N 0 0 333.229 4.964 50 0 EJAARN Cc1cc(C(=O)CCC(=O)N2CC[C@H](C)[C@H]3CCCC[C@H]32)c(C)s1 ZINC000108066006 564027550 /nfs/dbraw/zinc/02/75/50/564027550.db2.gz XHWVWRFMZHGMHN-FDQGKXFDSA-N 0 0 347.524 4.755 50 0 EJAARN Cc1ccsc1[C@@H]1SCC(=O)Nc2c1cnn2-c1ccccc1 ZINC000044919931 564027758 /nfs/dbraw/zinc/02/77/58/564027758.db2.gz YSACLSZFLZCJKI-MRXNPFEDSA-N 0 0 341.461 4.666 50 0 EJAARN O=C1C(=O)N(Cc2ccccc2)[C@@H](c2ccccc2)C1c1ccccc1 ZINC000045941295 564028972 /nfs/dbraw/zinc/02/89/72/564028972.db2.gz VFOOQEILBHTQFR-NRFANRHFSA-N 0 0 341.410 4.739 50 0 biogenic EJAARN O=C(Nc1cccc2c1CCCC2)N1CCC[C@H]1c1ccsc1 ZINC000045959439 564028986 /nfs/dbraw/zinc/02/89/86/564028986.db2.gz OBPYQMWFROJCIG-SFHVURJKSA-N 0 0 326.465 4.996 50 0 EJAARN COc1ccccc1-c1noc([C@H]2C[C@H]2c2cccc(Cl)c2)n1 ZINC000109454646 564029200 /nfs/dbraw/zinc/02/92/00/564029200.db2.gz CVJOQUNSFFYPLU-GJZGRUSLSA-N 0 0 326.783 4.670 50 0 EJAARN Cc1ccccc1-c1noc(-c2ccc(NC(=O)C(C)(C)C)cc2)n1 ZINC000046018689 564029262 /nfs/dbraw/zinc/02/92/62/564029262.db2.gz SYVGTCGDDPXCPG-UHFFFAOYSA-N 0 0 335.407 4.697 50 0 EJAARN Cc1ccccc1-c1noc(-c2ccc(NC(=O)c3ccco3)cc2)n1 ZINC000046018688 564029274 /nfs/dbraw/zinc/02/92/74/564029274.db2.gz RNOZLMLHBRRMIR-UHFFFAOYSA-N 0 0 345.358 4.557 50 0 EJAARN CN(C)c1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 ZINC000046077357 564029448 /nfs/dbraw/zinc/02/94/48/564029448.db2.gz LEUFPPBKOZYGKY-UHFFFAOYSA-N 0 0 342.870 4.857 50 0 EJAARN CCCCOc1ccc2oc(C)c(C(=O)NCc3ccccc3)c2c1 ZINC000046085601 564029570 /nfs/dbraw/zinc/02/95/70/564029570.db2.gz AAYZCDZTOUFWSL-UHFFFAOYSA-N 0 0 337.419 4.850 50 0 EJAARN Cc1cc(C(=O)CCC(=O)N2CCC[C@@H]2c2ccsc2)c(C)s1 ZINC000048234178 564030080 /nfs/dbraw/zinc/03/00/80/564030080.db2.gz ZIDBFARDHLYIMB-MRXNPFEDSA-N 0 0 347.505 4.753 50 0 EJAARN CCN(Cc1ccc(Cl)s1)C(=O)c1cc(-c2ccccc2)no1 ZINC000048250248 564030427 /nfs/dbraw/zinc/03/04/27/564030427.db2.gz UGKCMUANBYFLES-UHFFFAOYSA-N 0 0 346.839 4.719 50 0 EJAARN O=C(N[C@H]1CCOc2ccccc21)c1ccc(-c2ccccc2)cc1F ZINC000048289518 564030528 /nfs/dbraw/zinc/03/05/28/564030528.db2.gz RSVCBHMAYHGGGD-FQEVSTJZSA-N 0 0 347.389 4.746 50 0 EJAARN Cc1ccccc1N1C(=O)c2ccccc2/C(=C\c2ccccc2)C1=O ZINC000048310435 564030741 /nfs/dbraw/zinc/03/07/41/564030741.db2.gz AHOOXEZRHSKRPN-HMMYKYKNSA-N 0 0 339.394 4.723 50 0 EJAARN O=C(Nc1ccc2c3c(cccc31)C(=O)N2)C12CC3CC(CC(C3)C1)C2 ZINC000019898418 564030749 /nfs/dbraw/zinc/03/07/49/564030749.db2.gz CPZVAVWKWALFOD-UHFFFAOYSA-N 0 0 346.430 4.560 50 0 EJAARN CCCc1noc([C@@H](C)Sc2nc3ccccc3n2C(F)F)n1 ZINC000048324178 564030896 /nfs/dbraw/zinc/03/08/96/564030896.db2.gz HLSRUPFQFQVUEG-SECBINFHSA-N 0 0 338.383 4.620 50 0 EJAARN O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1ccc(Cl)cc1 ZINC000005127533 564031174 /nfs/dbraw/zinc/03/11/74/564031174.db2.gz UJMFNEYJBWFZQW-FMIVXFBMSA-N 0 0 343.213 4.648 50 0 EJAARN COc1cc([C@H](C)NC(=O)c2ccsc2)ccc1OC1CCCC1 ZINC000048339912 564031215 /nfs/dbraw/zinc/03/12/15/564031215.db2.gz QHUAYSFESDPTLH-ZDUSSCGKSA-N 0 0 345.464 4.569 50 0 EJAARN CCN(C(=O)[C@H](C)Sc1ccc2ccccc2n1)c1ccccc1 ZINC000005627220 564032867 /nfs/dbraw/zinc/03/28/67/564032867.db2.gz IIPBYDNKNMXFOJ-HNNXBMFYSA-N 0 0 336.460 4.769 50 0 EJAARN CCSc1cccc(C(=O)Nc2nc(-c3ccncc3)cs2)c1 ZINC000005203596 564033156 /nfs/dbraw/zinc/03/31/56/564033156.db2.gz QVNORYIBUYNYJY-UHFFFAOYSA-N 0 0 341.461 4.569 50 0 EJAARN CC[C@H](C)c1ccc(C(=O)COc2ccc(-c3nnco3)cc2)cc1 ZINC000006561137 564033243 /nfs/dbraw/zinc/03/32/43/564033243.db2.gz NKRBOHWYNCGMBG-AWEZNQCLSA-N 0 0 336.391 4.512 50 0 EJAARN O=C(C[C@@H]1C=CCC1)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000024709372 564033325 /nfs/dbraw/zinc/03/33/25/564033325.db2.gz FAIYFVMRIUTUHO-ZHRRBRCNSA-N 0 0 331.415 4.995 50 0 EJAARN CCCSc1ncc(Cl)c(C(=O)Nc2c(C)cccc2C)n1 ZINC000006810519 564033522 /nfs/dbraw/zinc/03/35/22/564033522.db2.gz YETOEYABQPGNSO-UHFFFAOYSA-N 0 0 335.860 4.501 50 0 EJAARN Cc1ccc2[nH]c(SCC(=O)Nc3cc(Cl)ccc3C)nc2c1 ZINC000006908887 564033796 /nfs/dbraw/zinc/03/37/96/564033796.db2.gz AMTWVMVWVQLHDA-UHFFFAOYSA-N 0 0 345.855 4.564 50 0 EJAARN c1cc2c(ncnc2SCc2cc(-c3ccccc3)on2)s1 ZINC000007329404 564034329 /nfs/dbraw/zinc/03/43/29/564034329.db2.gz GTDFKLYLXSTELK-UHFFFAOYSA-N 0 0 325.418 4.639 50 0 EJAARN O=C(/C=C/c1ccc2ccccc2n1)N[C@H]1CCSc2ccccc21 ZINC000007735199 564034420 /nfs/dbraw/zinc/03/44/20/564034420.db2.gz FRIRUXAMFNAWGV-CVTTXWKISA-N 0 0 346.455 4.601 50 0 EJAARN O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1cccc(Cl)c1 ZINC000007725394 564034502 /nfs/dbraw/zinc/03/45/02/564034502.db2.gz HRBDGEHZZHTWBM-UHFFFAOYSA-N 0 0 339.826 4.668 50 0 EJAARN O=C(Nc1nc(-c2ccncc2)cs1)Nc1ccc(Cl)cc1 ZINC000008194527 564034853 /nfs/dbraw/zinc/03/48/53/564034853.db2.gz GIXROTPBLKKOLP-UHFFFAOYSA-N 0 0 330.800 4.503 50 0 EJAARN COc1cccc2cc(C(=O)NCc3ccc(-c4ccoc4)cc3)oc21 ZINC000390830858 564034912 /nfs/dbraw/zinc/03/49/12/564034912.db2.gz NXDRDVHUJFGULE-UHFFFAOYSA-N 0 0 347.370 4.631 50 0 EJAARN Cc1ccccc1-c1noc(CNc2ccccc2N2CCCCC2)n1 ZINC000023004021 564035808 /nfs/dbraw/zinc/03/58/08/564035808.db2.gz CNYFIIXZKJWBNM-UHFFFAOYSA-N 0 0 348.450 4.647 50 0 EJAARN COc1ccccc1-c1ccc(C(=O)N[C@@H](C)c2ccc(C)cn2)cc1 ZINC000220486650 564035897 /nfs/dbraw/zinc/03/58/97/564035897.db2.gz ZYMNYWKLNXRPDZ-INIZCTEOSA-N 0 0 346.430 4.557 50 0 EJAARN Cc1ccccc1NC(=O)c1c2ccccc2nnc1-c1ccccc1 ZINC000032953165 564036362 /nfs/dbraw/zinc/03/63/62/564036362.db2.gz OEHRFBVCTNXKCI-UHFFFAOYSA-N 0 0 339.398 4.858 50 0 EJAARN O=C(Nc1cccc(F)c1)c1c2ccccc2nnc1-c1ccccc1 ZINC000032953259 564036368 /nfs/dbraw/zinc/03/63/68/564036368.db2.gz WDYLSMFYCWAOOL-UHFFFAOYSA-N 0 0 343.361 4.688 50 0 EJAARN Cc1ccc(-c2ocnc2C(=O)Nc2cc(Cl)ccc2C)s1 ZINC000033049095 564036422 /nfs/dbraw/zinc/03/64/22/564036422.db2.gz ZFRIITVQQJIJOY-UHFFFAOYSA-N 0 0 332.812 4.926 50 0 EJAARN CCc1nc(-c2ccc(NC(=O)Nc3ccccc3CC)cc2)no1 ZINC000033257289 564036605 /nfs/dbraw/zinc/03/66/05/564036605.db2.gz SGKIODABRJZBNR-UHFFFAOYSA-N 0 0 336.395 4.505 50 0 EJAARN O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/c1cccc(Cl)c1 ZINC000033466829 564036778 /nfs/dbraw/zinc/03/67/78/564036778.db2.gz CJVBXPNZDBYPTJ-WQLSENKSSA-N 0 0 343.213 4.648 50 0 EJAARN Cc1ccc(N[C@H](c2ccc(O)cc2)[P@]2(=O)OCC[C@@H](C)O2)cc1 ZINC000223971610 564041311 /nfs/dbraw/zinc/04/13/11/564041311.db2.gz MVCYMXFPPSIAHN-OSDILXSKSA-N 0 0 347.351 4.830 50 0 EJAARN Cc1cc(C)c([C@H](C)Sc2nnc3cc(C)nc(C)n32)c(C)c1 ZINC000040157837 564045589 /nfs/dbraw/zinc/04/55/89/564045589.db2.gz OIQOYXRDDGVMJB-AWEZNQCLSA-N 0 0 326.469 4.520 50 0 EJAARN Cc1cccc(CN[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)c1C ZINC000225458411 564046934 /nfs/dbraw/zinc/04/69/34/564046934.db2.gz JCGWRICHKTVWGI-CQSZACIVSA-N 0 0 341.842 4.858 50 0 EJAARN Clc1ccccc1[C@@H]1CCCN1c1nnc(-c2ccccn2)s1 ZINC000225585213 564048052 /nfs/dbraw/zinc/04/80/52/564048052.db2.gz DYXIDZCUKZCZKO-HNNXBMFYSA-N 0 0 342.855 4.595 50 0 EJAARN CCCC[C@H](c1cccnc1)N(C)C(=O)Nc1ccc2c(c1)COC2 ZINC000244795114 564052283 /nfs/dbraw/zinc/05/22/83/564052283.db2.gz QZTOOMKMNWTDPA-LJQANCHMSA-N 0 0 339.439 4.507 50 0 EJAARN CC(=O)Nc1ccc(-c2csc(NC3CCCCC3)n2)c(F)c1 ZINC000018941232 564052703 /nfs/dbraw/zinc/05/27/03/564052703.db2.gz BJAWVKUZWUSGQM-UHFFFAOYSA-N 0 0 333.432 4.652 50 0 EJAARN COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3CC(C)C)c1 ZINC000248150382 564053038 /nfs/dbraw/zinc/05/30/38/564053038.db2.gz BDTPXVPXFDPGSX-CTNGQTDRSA-N 0 0 336.435 4.611 50 0 EJAARN Cc1ccc(CC2=C3C(=NC(=S)N[C@H]3c3ccc(C)cc3)CC2)cc1 ZINC000210954826 564053231 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564082686 /nfs/dbraw/zinc/08/26/86/564082686.db2.gz WINQRTJYHJHDLV-UHFFFAOYSA-N 0 0 346.839 4.661 50 0 EJAARN CCCCCc1nnc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)s1 ZINC000026557264 564082917 /nfs/dbraw/zinc/08/29/17/564082917.db2.gz MTCDYOCURLLDGB-UHFFFAOYSA-N 0 0 342.468 4.621 50 0 EJAARN Cc1ccc(NC(=O)c2ccc(N3CCc4ccccc4C3)cc2)cc1 ZINC000063887846 564083028 /nfs/dbraw/zinc/08/30/28/564083028.db2.gz CISSJVOVBVBHKC-UHFFFAOYSA-N 0 0 342.442 4.810 50 0 EJAARN O=C(Cc1cccc2ccccc21)N1CCc2sc(Cl)cc2C1 ZINC000575615662 564083425 /nfs/dbraw/zinc/08/34/25/564083425.db2.gz GUTVHDIGLVUDKJ-UHFFFAOYSA-N 0 0 341.863 4.682 50 0 EJAARN CCOc1ccc2nc(NC(=O)C[C@@H](C)c3ccccc3)sc2c1 ZINC000006270929 564083435 /nfs/dbraw/zinc/08/34/35/564083435.db2.gz XOJQLESWPARLEP-CYBMUJFWSA-N 0 0 340.448 4.827 50 0 EJAARN COc1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cc1Cl ZINC000006303199 564083797 /nfs/dbraw/zinc/08/37/97/564083797.db2.gz AXZQCXUZQBSJGA-UHFFFAOYSA-N 0 0 342.826 4.791 50 0 EJAARN C[C@H](Cc1csc2ccccc12)NC(=O)c1ccc(Cl)s1 ZINC000575621690 564083938 /nfs/dbraw/zinc/08/39/38/564083938.db2.gz RBJZJFSXZNADCD-SNVBAGLBSA-N 0 0 335.881 4.977 50 0 EJAARN C[C@H](Cc1csc2ccccc12)NC(=O)c1ccccc1Cl ZINC000575621840 564083956 /nfs/dbraw/zinc/08/39/56/564083956.db2.gz VWSHXCJBYBGIBZ-GFCCVEGCSA-N 0 0 329.852 4.916 50 0 EJAARN Cc1cc(C)c(C)c(S(=O)(=O)Nc2cccc3ccccc32)c1C ZINC000006316947 564084561 /nfs/dbraw/zinc/08/45/61/564084561.db2.gz ILYWIYKUKUYDIX-UHFFFAOYSA-N 0 0 339.460 4.874 50 0 EJAARN CCN(C(=O)CSc1ccc2ccccc2n1)C1CCCCC1 ZINC000006318271 564084587 /nfs/dbraw/zinc/08/45/87/564084587.db2.gz NNIWPJNXMMKHMN-UHFFFAOYSA-N 0 0 328.481 4.508 50 0 EJAARN CC(C)N(Cc1ccccc1)Cn1nc(-c2cccs2)[nH]c1=S ZINC000012972972 564084863 /nfs/dbraw/zinc/08/48/63/564084863.db2.gz YVBJVYZASBABQT-UHFFFAOYSA-N 0 0 344.509 4.537 50 0 EJAARN O=C(c1cccc(Cl)c1)N(CCc1cccs1)Cc1ccoc1 ZINC000090612307 564084997 /nfs/dbraw/zinc/08/49/97/564084997.db2.gz JSDRZZYVFXZNLI-UHFFFAOYSA-N 0 0 345.851 4.880 50 0 EJAARN C[C@H](NC(=O)C1CCC(C(C)(C)C)CC1)c1nc2ccccc2[nH]1 ZINC000006381859 564085415 /nfs/dbraw/zinc/08/54/15/564085415.db2.gz DHUOHPHMXNEWIH-NFOMZHRRSA-N 0 0 327.472 4.593 50 0 EJAARN CCN(Cc1ccncc1)C(=O)c1sc2cc(C)ccc2c1Cl ZINC000006392196 564085497 /nfs/dbraw/zinc/08/54/97/564085497.db2.gz QUGQWIXEGBUCEL-UHFFFAOYSA-N 0 0 344.867 4.920 50 0 EJAARN O=C(Nc1cccc2ncccc21)c1csc(-c2ccsc2)n1 ZINC000012996874 564086047 /nfs/dbraw/zinc/08/60/47/564086047.db2.gz CHDIDDDXZXNLTL-UHFFFAOYSA-N 0 0 337.429 4.672 50 0 EJAARN Cc1ccc(C)c(NC(=O)CCc2ccc3[nH]c(C(C)C)nc3c2)c1 ZINC000075478736 564086651 /nfs/dbraw/zinc/08/66/51/564086651.db2.gz XLOGDYSQLZVWPJ-UHFFFAOYSA-N 0 0 335.451 4.874 50 0 EJAARN O=C(CCc1ccc2[nH]c(-c3ccccc3)nc2c1)N1CCCCCC1 ZINC000075478953 564086661 /nfs/dbraw/zinc/08/66/61/564086661.db2.gz DWYYBYYZELLCDE-UHFFFAOYSA-N 0 0 347.462 4.565 50 0 EJAARN CC[C@H]([NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1)c1c(C)noc1C ZINC000090886537 564086925 /nfs/dbraw/zinc/08/69/25/564086925.db2.gz DAVNJCKUTULPKH-YJYMSZOUSA-N 0 0 338.455 4.587 50 0 EJAARN CCc1nc2cc(-c3noc(-c4cccc5[nH]ccc54)n3)ccc2o1 ZINC000075488078 564087058 /nfs/dbraw/zinc/08/70/58/564087058.db2.gz LLONNYDQEIGLKJ-UHFFFAOYSA-N 0 0 330.347 4.589 50 0 EJAARN CSc1cccc(NC(=O)c2ccc(-c3ccsc3)nc2)c1 ZINC000075501945 564087108 /nfs/dbraw/zinc/08/71/08/564087108.db2.gz QPCKVCYPDQUULZ-UHFFFAOYSA-N 0 0 326.446 4.784 50 0 EJAARN C/C(Cl)=C/CSc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000001754723 564087245 /nfs/dbraw/zinc/08/72/45/564087245.db2.gz FTLPEZNOEWFMIT-QBFSEMIESA-N 0 0 342.851 4.620 50 0 EJAARN COc1ccc(C(C)(C)C)cc1NC(=O)Cc1ccc(Cl)cc1 ZINC000002623233 564087347 /nfs/dbraw/zinc/08/73/47/564087347.db2.gz LLPYIAYEUZPZLI-UHFFFAOYSA-N 0 0 331.843 4.827 50 0 EJAARN COc1ccc(-c2nnc3n2C(C)(C)Cc2cc(C)c(C)cc2-3)cc1 ZINC000000334268 564087692 /nfs/dbraw/zinc/08/76/92/564087692.db2.gz LUGLLAHZGTUSAE-UHFFFAOYSA-N 0 0 333.435 4.529 50 0 EJAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2)o1 ZINC000238924297 564087991 /nfs/dbraw/zinc/08/79/91/564087991.db2.gz RTUWINGCZGTOEZ-RXVVDRJESA-N 0 0 330.387 4.830 50 0 EJAARN CC[C@H](C)c1ccccc1NC(=O)CN1CCc2sccc2[C@H]1C ZINC000241693951 564088397 /nfs/dbraw/zinc/08/83/97/564088397.db2.gz QJBOLBSXTIZPLP-LSDHHAIUSA-N 0 0 342.508 4.819 50 0 EJAARN Cc1[nH]nc(NC(=O)C[C@H](C)c2ccccc2)c1-c1ccc(F)cc1 ZINC000075544597 564088618 /nfs/dbraw/zinc/08/86/18/564088618.db2.gz HNOFSNKYMMRMAI-ZDUSSCGKSA-N 0 0 337.398 4.657 50 0 EJAARN CC(C)[C@H](NC(=O)Nc1cccc2cnccc21)c1cccs1 ZINC000053998257 564088785 /nfs/dbraw/zinc/08/87/85/564088785.db2.gz MFZJUXAJGGAACV-KRWDZBQOSA-N 0 0 325.437 4.815 50 0 EJAARN O=P(N=c1[nH]ccs1)(Oc1ccccc1)Oc1ccccc1 ZINC000001849064 564088861 /nfs/dbraw/zinc/08/88/61/564088861.db2.gz REBMRDWJVCFVQF-UHFFFAOYSA-N 0 0 332.321 4.821 50 0 EJAARN O=[S@@](Cc1cccc(NC2CCCCCCC2)c1)C1CCOCC1 ZINC000092170066 564088905 /nfs/dbraw/zinc/08/89/05/564088905.db2.gz SYWKWQMMTNXUKU-XMMPIXPASA-N 0 0 349.540 4.639 50 0 EJAARN CCCCCCc1c(C)c2ccc(O[C@@H](C)C(C)=O)cc2oc1=O ZINC000001902765 564089221 /nfs/dbraw/zinc/08/92/21/564089221.db2.gz DRXWYMNJMRKMQY-HNNXBMFYSA-N 0 0 330.424 4.581 50 0 biogenic EJAARN O=C(Nc1cccc2[nH]cnc21)c1ccc(Oc2ccccc2)cc1 ZINC000075566728 564089538 /nfs/dbraw/zinc/08/95/38/564089538.db2.gz FMJMQJKIZAMDJL-UHFFFAOYSA-N 0 0 329.359 4.608 50 0 EJAARN CCCCOc1ccc2c(c1)occ(Oc1ccc(OC)cc1)c2=O ZINC000001772078 564090597 /nfs/dbraw/zinc/09/05/97/564090597.db2.gz BSMZBFPTDPCTRU-UHFFFAOYSA-N 0 0 340.375 4.773 50 0 biogenic EJAARN CC(C)C(=O)N1CCCC[C@@H]1c1nnc(-c2ccc3ccccc3c2)o1 ZINC000521393924 564090886 /nfs/dbraw/zinc/09/08/86/564090886.db2.gz JYTUJJPJSHITIF-GOSISDBHSA-N 0 0 349.434 4.599 50 0 EJAARN Cc1cccc(NC(=O)N2CCn3cccc3[C@@H]2c2cccc(F)c2)c1 ZINC000006504329 564091060 /nfs/dbraw/zinc/09/10/60/564091060.db2.gz KTMIFBGNRFYXBU-FQEVSTJZSA-N 0 0 349.409 4.573 50 0 EJAARN COc1ccccc1/C=C/C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000006519383 564091404 /nfs/dbraw/zinc/09/14/04/564091404.db2.gz UKDBCCBMOPGNDD-RMKNXTFCSA-N 0 0 339.288 4.505 50 0 EJAARN Cc1ccc([C@H]2C[C@H]2C2N=NC(=S)N2c2cccc(Cl)c2)cc1 ZINC000006533850 564091680 /nfs/dbraw/zinc/09/16/80/564091680.db2.gz XOELQQAHXNBRBG-HZPDHXFCSA-N 0 0 341.867 4.789 50 0 EJAARN c1nc(CSc2nnc(Cc3ccccc3)o2)oc1-c1ccccc1 ZINC000006544088 564091888 /nfs/dbraw/zinc/09/18/88/564091888.db2.gz RWSXEZFYSIZFJG-UHFFFAOYSA-N 0 0 349.415 4.608 50 0 EJAARN O=C(Cc1csc(-c2ccccc2Cl)n1)Oc1ccccc1 ZINC000006551345 564091964 /nfs/dbraw/zinc/09/19/64/564091964.db2.gz PKANTBQORBZSIV-UHFFFAOYSA-N 0 0 329.808 4.612 50 0 EJAARN CCOc1ccc(NC(=O)c2cncc(-c3ccc(C)cc3)c2)cc1 ZINC000064568248 564092266 /nfs/dbraw/zinc/09/22/66/564092266.db2.gz SQQJXBRAODFKRU-UHFFFAOYSA-N 0 0 332.403 4.708 50 0 EJAARN COc1ccccc1CNc1nc(-c2c(F)cccc2F)cs1 ZINC000006589698 564092443 /nfs/dbraw/zinc/09/24/43/564092443.db2.gz OCHYJHUYFKKVNE-UHFFFAOYSA-N 0 0 332.375 4.709 50 0 EJAARN COc1ccc2oc(C(=O)Nc3cccc4ncccc43)c(C)c2c1 ZINC000006590596 564092476 /nfs/dbraw/zinc/09/24/76/564092476.db2.gz PNSATHRQBCUILR-UHFFFAOYSA-N 0 0 332.359 4.550 50 0 EJAARN COc1ccc(CCC(=O)Nc2ccc(C(C)(C)C)cc2)cc1OC ZINC000006597648 564092609 /nfs/dbraw/zinc/09/26/09/564092609.db2.gz UOACNWSONJAKRL-UHFFFAOYSA-N 0 0 341.451 4.573 50 0 EJAARN Cc1nc(C2CCCC2)sc1C(=O)N1CCc2cc(F)cc(F)c21 ZINC000089559304 564092848 /nfs/dbraw/zinc/09/28/48/564092848.db2.gz SRFVXHGTXJAWBT-UHFFFAOYSA-N 0 0 348.418 4.590 50 0 EJAARN COc1ccccc1[C@@H]1CC(=O)Nc2c(-c3ccccc3)csc21 ZINC000064604446 564093042 /nfs/dbraw/zinc/09/30/42/564093042.db2.gz OCAKTRGXANNQGZ-HNNXBMFYSA-N 0 0 335.428 4.898 50 0 EJAARN CCOC(=O)Nc1c(-c2ccc(Cl)cc2)nc2cc(C)ccn21 ZINC000027023983 564093082 /nfs/dbraw/zinc/09/30/82/564093082.db2.gz ZSSJXTKPMJGZDB-UHFFFAOYSA-N 0 0 329.787 4.532 50 0 EJAARN CCCCSc1nnc2c3ccccc3n(Cc3ccccc3)c2n1 ZINC000005069343 564093208 /nfs/dbraw/zinc/09/32/08/564093208.db2.gz POWJFTGVLMZNNM-UHFFFAOYSA-N 0 0 348.475 4.920 50 0 EJAARN O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1 ZINC000002054769 564093413 /nfs/dbraw/zinc/09/34/13/564093413.db2.gz XZGLRWOUJCXTDZ-UHFFFAOYSA-N 0 0 342.197 4.930 50 0 EJAARN C[C@H]1N(C(=O)c2ccc(-c3cc(O)c(F)c(F)c3)cc2)CCC1(C)C ZINC000426478010 564093819 /nfs/dbraw/zinc/09/38/19/564093819.db2.gz NNGDSXULCYOZBV-GFCCVEGCSA-N 0 0 345.389 4.598 50 0 EJAARN CC(C)C[C@H](C)NC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000002065849 564094375 /nfs/dbraw/zinc/09/43/75/564094375.db2.gz OPIYFNCNOUJGON-IRXDYDNUSA-N 0 0 337.463 4.572 50 0 EJAARN CCc1nc2c(-c3ccc(C)cc3)noc2c(NCc2ccc(C)o2)n1 ZINC000064658464 564094728 /nfs/dbraw/zinc/09/47/28/564094728.db2.gz TZMMCXUPCYKIAS-UHFFFAOYSA-N 0 0 348.406 4.669 50 0 EJAARN O=C(CN1CCCC1)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000006638058 564094773 /nfs/dbraw/zinc/09/47/73/564094773.db2.gz JIYXLPJNHKGUDB-UHFFFAOYSA-N 0 0 346.883 4.526 50 0 EJAARN Cc1cccc(NC(=O)N2CCc3nc(-c4ccccc4)sc3C2)c1 ZINC000064660112 564094866 /nfs/dbraw/zinc/09/48/66/564094866.db2.gz NZZVBMWDOSRASH-UHFFFAOYSA-N 0 0 349.459 4.709 50 0 EJAARN Cc1cccc(-c2csc3c2ncn(CCc2ccccc2)c3=O)c1 ZINC000064667591 564094978 /nfs/dbraw/zinc/09/49/78/564094978.db2.gz NODQKDXQBJMGMR-UHFFFAOYSA-N 0 0 346.455 4.676 50 0 EJAARN Cn1c2ccccc2nc1-c1cn(-c2ccccc2)nc1-c1ccco1 ZINC000006649765 564095151 /nfs/dbraw/zinc/09/51/51/564095151.db2.gz OYDQDQXZIJDPPU-UHFFFAOYSA-N 0 0 340.386 4.686 50 0 EJAARN CC(C)c1ccc(/C=C/c2nn3c(nnc3-c3ccco3)s2)cc1 ZINC000006668723 564095701 /nfs/dbraw/zinc/09/57/01/564095701.db2.gz UOMOVTOWSYZSCX-JXMROGBWSA-N 0 0 336.420 4.740 50 0 EJAARN CC(C)=CCC/C(C)=C/C=C1/CC(=O)N(CCc2ccccc2)C1=O ZINC000006670076 564095754 /nfs/dbraw/zinc/09/57/54/564095754.db2.gz WLTSPMYJUMTVEI-FDTGUPFSSA-N 0 0 337.463 4.607 50 0 EJAARN COc1c2cc(F)ccc2sc1C(=O)N[C@@H](C)c1ccccc1 ZINC000064756432 564095913 /nfs/dbraw/zinc/09/59/13/564095913.db2.gz BLBKXYCMBHTIRQ-NSHDSACASA-N 0 0 329.396 4.540 50 0 EJAARN CC[C@H](NC(=O)c1sc2ccc(F)cc2c1OC)c1cccs1 ZINC000064756498 564095940 /nfs/dbraw/zinc/09/59/40/564095940.db2.gz CCFCFZIWWPZBBW-LBPRGKRZSA-N 0 0 349.452 4.992 50 0 EJAARN Cc1nc(Nc2ccccc2)sc1C(=O)Nc1ccc(F)cc1 ZINC000064757661 564096050 /nfs/dbraw/zinc/09/60/50/564096050.db2.gz WXJWERUBWYBIMV-UHFFFAOYSA-N 0 0 327.384 4.587 50 0 EJAARN Cc1cccc(NC(=O)c2ccc(F)cc2)c1-c1nc2ncccc2o1 ZINC000006710398 564096291 /nfs/dbraw/zinc/09/62/91/564096291.db2.gz QWNZAJCVMMSYNG-UHFFFAOYSA-N 0 0 347.349 4.590 50 0 EJAARN Cc1ccc(-n2c(Nc3cccc(C)c3C)c3[nH]cccc-3c2=O)cc1 ZINC000006737271 564096669 /nfs/dbraw/zinc/09/66/69/564096669.db2.gz PVQFNRPLIUNSIH-OAQYLSRUSA-N 0 0 343.430 4.778 50 0 EJAARN Cc1ccc(CN(Cc2ccco2)C(=O)c2ccccc2Cl)o1 ZINC000006747382 564096944 /nfs/dbraw/zinc/09/69/44/564096944.db2.gz GYPXVRLYGFQRHH-UHFFFAOYSA-N 0 0 329.783 4.677 50 0 EJAARN Cc1ccc(-c2cn3c4ccc(C(=O)NC(C)C)cc4sc3n2)cc1 ZINC000006748646 564097027 /nfs/dbraw/zinc/09/70/27/564097027.db2.gz LTFBNBOEUGJPQI-UHFFFAOYSA-N 0 0 349.459 4.663 50 0 EJAARN COc1cc(Cl)c(C)cc1NC(=O)c1ccc2ncsc2c1 ZINC000007973510 564097229 /nfs/dbraw/zinc/09/72/29/564097229.db2.gz ZIYRQWQLGSHDQO-UHFFFAOYSA-N 0 0 332.812 4.519 50 0 EJAARN CC(C)Sc1nc2c3c(sc2c(Cl)n1)CC(C)(C)OC3 ZINC000006759877 564097292 /nfs/dbraw/zinc/09/72/92/564097292.db2.gz HGCGPZSAKKCRJK-UHFFFAOYSA-N 0 0 328.890 4.697 50 0 EJAARN Cc1ccc(-n2nc(C(C)C)c(C(=O)N3CCCC3)c2C(C)C)cc1 ZINC000006771618 564097497 /nfs/dbraw/zinc/09/74/97/564097497.db2.gz PZMYAVKXWPQGIR-UHFFFAOYSA-N 0 0 339.483 4.664 50 0 EJAARN COc1ccc(C(=O)NCc2sccc2C)cc1-c1ccccc1 ZINC000064907922 564097598 /nfs/dbraw/zinc/09/75/98/564097598.db2.gz WOWPKGNBELTWKZ-UHFFFAOYSA-N 0 0 337.444 4.662 50 0 EJAARN CCCCC(=O)Nc1cccc(-c2nc3cccnc3s2)c1C ZINC000006781382 564097619 /nfs/dbraw/zinc/09/76/19/564097619.db2.gz GAOBIEQBDILWFH-UHFFFAOYSA-N 0 0 325.437 4.795 50 0 EJAARN CN(c1ccccc1)c1ccc(CNc2cncc(Cl)n2)cc1F ZINC000064915002 564097644 /nfs/dbraw/zinc/09/76/44/564097644.db2.gz FKKBDXGGIUUDBF-UHFFFAOYSA-N 0 0 342.805 4.649 50 0 EJAARN COc1ccc(Cl)cc1NC(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC000006784489 564097691 /nfs/dbraw/zinc/09/76/91/564097691.db2.gz CTZRMHXMWJHZQW-SNVBAGLBSA-N 0 0 335.856 4.787 50 0 EJAARN Cc1cc(SCC(=O)Nc2c(F)cccc2F)nc2ccccc12 ZINC000006790362 564097934 /nfs/dbraw/zinc/09/79/34/564097934.db2.gz WOPOJDAJMKIJBO-UHFFFAOYSA-N 0 0 344.386 4.552 50 0 EJAARN Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000154684476 564097941 /nfs/dbraw/zinc/09/79/41/564097941.db2.gz LSOIAJVYMRDMTJ-SJKOYZFVSA-N 0 0 345.874 4.537 50 0 EJAARN C[C@H]1CCC[C@H](C)N1C(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000006804832 564098343 /nfs/dbraw/zinc/09/83/43/564098343.db2.gz YZCOZSTXPJCADL-STQMWFEESA-N 0 0 327.449 4.711 50 0 EJAARN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000006804833 564098372 /nfs/dbraw/zinc/09/83/72/564098372.db2.gz YZCOZSTXPJCADL-CHWSQXEVSA-N 0 0 327.449 4.711 50 0 EJAARN O=C(c1ccc(F)cc1)N(Cc1ccco1)Cc1cccc(Cl)c1 ZINC000006810646 564098526 /nfs/dbraw/zinc/09/85/26/564098526.db2.gz UYXPPMXTLYUQBY-UHFFFAOYSA-N 0 0 343.785 4.915 50 0 EJAARN O=C(NC1CCCCC1)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000064968103 564098745 /nfs/dbraw/zinc/09/87/45/564098745.db2.gz LPXPNBHKFKAOCT-UHFFFAOYSA-N 0 0 348.446 4.676 50 0 EJAARN Cc1nn(C(=O)c2sc3cccc(F)c3c2Cl)c(C)c1Cl ZINC000006824944 564098915 /nfs/dbraw/zinc/09/89/15/564098915.db2.gz QMYLFKAMKFLFAD-UHFFFAOYSA-N 0 0 343.210 4.849 50 0 EJAARN COc1ccc2c(C)cc(SCC(=O)c3cccs3)nc2c1 ZINC000006832052 564099188 /nfs/dbraw/zinc/09/91/88/564099188.db2.gz DYOYMMDVEMNOFH-UHFFFAOYSA-N 0 0 329.446 4.588 50 0 EJAARN CCCNC(=O)C[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000006838681 564099297 /nfs/dbraw/zinc/09/92/97/564099297.db2.gz BNBAHPYJILXHSC-INIZCTEOSA-N 0 0 340.854 4.870 50 0 EJAARN O=C(Nc1ccc(F)c(F)c1)c1cccnc1Sc1ccccc1 ZINC000006840610 564099333 /nfs/dbraw/zinc/09/93/33/564099333.db2.gz QSPDCKDUOKOAQC-UHFFFAOYSA-N 0 0 342.370 4.763 50 0 EJAARN COc1ccc(OC)c(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)c1 ZINC000006839879 564099340 /nfs/dbraw/zinc/09/93/40/564099340.db2.gz FPBXFNMWBBXMTF-GOSISDBHSA-N 0 0 347.842 4.736 50 0 EJAARN CC[C@H]1CN(C(=O)Nc2cccc(C)c2)c2cc(Cl)ccc2O1 ZINC000006843028 564099473 /nfs/dbraw/zinc/09/94/73/564099473.db2.gz IINYLHAXXOIWSD-HNNXBMFYSA-N 0 0 330.815 4.858 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346.268 4.820 50 0 EJAARN Cc1cccc(-c2noc(-c3ccc(NCc4cccs4)nc3)n2)c1 ZINC000065097885 564101038 /nfs/dbraw/zinc/10/10/38/564101038.db2.gz ZZNWLDBZOZFTNA-UHFFFAOYSA-N 0 0 348.431 4.781 50 0 EJAARN Cc1ccc2c(ncc(C(=O)OC(C)C)c2Nc2ccccc2C)n1 ZINC000065114277 564101230 /nfs/dbraw/zinc/10/12/30/564101230.db2.gz OJPBYXZBAAPFNB-UHFFFAOYSA-N 0 0 335.407 4.555 50 0 EJAARN Cc1ccc(C(=O)[C@@H](Sc2ncccn2)c2ccc(C)cc2)cc1 ZINC000006911428 564101331 /nfs/dbraw/zinc/10/13/31/564101331.db2.gz HVMVRIIXPLHYQD-IBGZPJMESA-N 0 0 334.444 4.810 50 0 EJAARN CC(C)c1nc(-n2cccc2)sc1C(=O)Nc1ccc(Cl)cc1 ZINC000065118491 564101418 /nfs/dbraw/zinc/10/14/18/564101418.db2.gz VRFATRLJPLUMOK-UHFFFAOYSA-N 0 0 345.855 4.963 50 0 EJAARN CCn1nccc1-c1cccc(-c2noc(-c3ccc(C)s3)n2)c1 ZINC000065137348 564101523 /nfs/dbraw/zinc/10/15/23/564101523.db2.gz OICRRDVRZGKYGT-UHFFFAOYSA-N 0 0 336.420 4.657 50 0 EJAARN O=C(Nc1nc2ccc(F)cc2s1)c1ccc(Cl)cc1Cl ZINC000006926759 564101546 /nfs/dbraw/zinc/10/15/46/564101546.db2.gz 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ZINC000007223416 564105892 /nfs/dbraw/zinc/10/58/92/564105892.db2.gz YETRVDZUGACRMN-MRXNPFEDSA-N 0 0 346.430 4.801 50 0 EJAARN CC(C)(NC(=O)c1cnc(-c2ccccc2F)s1)c1ccccc1 ZINC000065447098 564106018 /nfs/dbraw/zinc/10/60/18/564106018.db2.gz VDMWHDLAYYUCML-UHFFFAOYSA-N 0 0 340.423 4.614 50 0 EJAARN CN(Cc1ccccc1F)C(=O)C(c1ccccc1)c1ccccc1 ZINC000007265751 564106144 /nfs/dbraw/zinc/10/61/44/564106144.db2.gz MHUUXNHJZNKMSC-UHFFFAOYSA-N 0 0 333.406 4.616 50 0 EJAARN Cc1cc(-c2csc(Cc3nc4ccccc4s3)n2)c(C)n1C ZINC000007275111 564106335 /nfs/dbraw/zinc/10/63/35/564106335.db2.gz HDLXAYDJAUWGOB-UHFFFAOYSA-N 0 0 339.489 4.966 50 0 EJAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccco2)cc1 ZINC000239296798 564106494 /nfs/dbraw/zinc/10/64/94/564106494.db2.gz DJGIUXRWXUKZFI-NQIIRXRSSA-N 0 0 330.387 4.830 50 0 EJAARN C[C@H](CCc1ccco1)Nc1nc(-c2ccncc2)nc2ccccc21 ZINC000065504624 564106629 /nfs/dbraw/zinc/10/66/29/564106629.db2.gz QEUPLOLVRVUVNA-OAHLLOKOSA-N 0 0 344.418 4.718 50 0 EJAARN Cc1ccc(/C=C/C(=O)Nc2ccccc2Sc2nccn2C)cc1 ZINC000065521292 564106784 /nfs/dbraw/zinc/10/67/84/564106784.db2.gz MKVUOBZRNLUMHB-VAWYXSNFSA-N 0 0 349.459 4.532 50 0 EJAARN O=C(CSc1nc2ccccc2s1)N(C1=CCCCC1)C1CC1 ZINC000007338892 564106946 /nfs/dbraw/zinc/10/69/46/564106946.db2.gz IEDJGIYUIURCSR-UHFFFAOYSA-N 0 0 344.505 4.837 50 0 EJAARN Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)c1 ZINC000007344658 564107308 /nfs/dbraw/zinc/10/73/08/564107308.db2.gz RPDXTYWOZZZWBI-SFHVURJKSA-N 0 0 345.442 4.992 50 0 EJAARN C[C@@H](Cc1cc2ccccc2o1)NC(=O)CCSc1ccccc1 ZINC000239593153 564107558 /nfs/dbraw/zinc/10/75/58/564107558.db2.gz DRPIDCMLFLNQKX-HNNXBMFYSA-N 0 0 339.460 4.662 50 0 EJAARN Cc1nc(-c2ccsc2)sc1C(=O)Nc1cc(F)ccc1C ZINC000007404219 564107985 /nfs/dbraw/zinc/10/79/85/564107985.db2.gz CATIIFGOEPPKKV-UHFFFAOYSA-N 0 0 332.425 4.880 50 0 EJAARN c1coc(-c2cc(CSc3nnc(C4CCCCC4)o3)no2)c1 ZINC000007415743 564108109 /nfs/dbraw/zinc/10/81/09/564108109.db2.gz XHIDQLUXJUWBLJ-UHFFFAOYSA-N 0 0 331.397 4.658 50 0 EJAARN CCCCCNC(=O)c1cn(-c2ccc(C)cc2)nc1-c1ccccc1 ZINC000065607176 564108202 /nfs/dbraw/zinc/10/82/02/564108202.db2.gz PGGXSMIUZLROIG-UHFFFAOYSA-N 0 0 347.462 4.768 50 0 EJAARN CCc1c2cc(C)c(C)cc2oc1C(=O)NCc1cc(F)ccc1C ZINC000526052300 564108682 /nfs/dbraw/zinc/10/86/82/564108682.db2.gz VBPNWVWPFDAADN-UHFFFAOYSA-N 0 0 339.410 4.990 50 0 EJAARN CCCN(C(=O)c1cc2ccc(C)cc2[nH]1)[C@H]1CCCc2cccnc21 ZINC000170598916 564109221 /nfs/dbraw/zinc/10/92/21/564109221.db2.gz KRUIPFOTDISQPM-FQEVSTJZSA-N 0 0 347.462 4.801 50 0 EJAARN C[C@H](c1cccnc1)N(C)C(=O)Oc1cc(Cl)cc(Cl)c1 ZINC000170603722 564109528 /nfs/dbraw/zinc/10/95/28/564109528.db2.gz FDURRFPEJXKPFB-SNVBAGLBSA-N 0 0 325.195 4.580 50 0 EJAARN Cc1cc(N(C)C)ccc1NC(=O)C[C@@H](C)c1c[nH]c2ccccc21 ZINC000170615764 564109997 /nfs/dbraw/zinc/10/99/97/564109997.db2.gz JPCXNWMOTLZFQK-CQSZACIVSA-N 0 0 335.451 4.675 50 0 EJAARN CC(C)Sc1cccc(Cl)c1CNc1nnc(C(C)C)o1 ZINC000170619384 564110193 /nfs/dbraw/zinc/11/01/93/564110193.db2.gz QNNJJAZOQDKPQO-UHFFFAOYSA-N 0 0 325.865 4.959 50 0 EJAARN O=C(C[C@@H](c1ccccc1)n1cnc2ccccc21)c1ccccc1 ZINC000007542330 564110231 /nfs/dbraw/zinc/11/02/31/564110231.db2.gz SAGHVQDFVQGNAU-NRFANRHFSA-N 0 0 326.399 4.899 50 0 EJAARN C[C@@H]1C[C@@H](CC(=O)N2CCC(OC3CCCC3)CC2)CC(C)(C)C1 ZINC000170620589 564110243 /nfs/dbraw/zinc/11/02/43/564110243.db2.gz KXRCRNJZKXINSK-SJORKVTESA-N 0 0 335.532 4.789 50 0 EJAARN Cc1cccc(OC(F)F)c1NC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000170623535 564110422 /nfs/dbraw/zinc/11/04/22/564110422.db2.gz HEROVLSUZRABDQ-YPMHNXCESA-N 0 0 326.387 4.639 50 0 EJAARN CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(-c3nccc(C)n3)cc2)C1(C)C ZINC000170627099 564110451 /nfs/dbraw/zinc/11/04/51/564110451.db2.gz SIWHGUZOEXLWNQ-MSOLQXFVSA-N 0 0 335.451 4.629 50 0 EJAARN Cc1nn(C(C)C)c(C)c1NC(=O)N1CC[C@H](C)CC[C@@H]1C(C)C ZINC000170630090 564110555 /nfs/dbraw/zinc/11/05/55/564110555.db2.gz WTUOMKNZIGCFKE-RHSMWYFYSA-N 0 0 334.508 4.759 50 0 EJAARN Cc1cc(F)cc2[nH]c(C(=O)N3CCC[C@]4(CC=CCC4)C3)cc21 ZINC000170629574 564110671 /nfs/dbraw/zinc/11/06/71/564110671.db2.gz OFGCTJACGPYDDX-HXUWFJFHSA-N 0 0 326.415 4.578 50 0 EJAARN Cc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1F ZINC000009909295 564110821 /nfs/dbraw/zinc/11/08/21/564110821.db2.gz TUFLNHVODVEXTN-UHFFFAOYSA-N 0 0 330.359 4.649 50 0 EJAARN Cc1ccccc1CN(Cc1cccnc1)C(=O)C=C1CCCCC1 ZINC000071824309 564111312 /nfs/dbraw/zinc/11/13/12/564111312.db2.gz LNOHZDUATDZXFN-UHFFFAOYSA-N 0 0 334.463 4.809 50 0 EJAARN C[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccncc1 ZINC000013320480 564111472 /nfs/dbraw/zinc/11/14/72/564111472.db2.gz JCNXIDCATIXBOV-SECBINFHSA-N 0 0 343.736 4.637 50 0 EJAARN COc1cc(SC)ccc1NC(=O)c1c(Cl)cccc1Cl ZINC000192970841 564111671 /nfs/dbraw/zinc/11/16/71/564111671.db2.gz MRSBWKABHXUKDB-UHFFFAOYSA-N 0 0 342.247 4.976 50 0 EJAARN O=C(Nc1ccccc1OCC(F)(F)F)c1cc2ccccc2o1 ZINC000014127616 564112229 /nfs/dbraw/zinc/11/22/29/564112229.db2.gz CFWIOCAOXXOSIH-UHFFFAOYSA-N 0 0 335.281 4.626 50 0 EJAARN COc1ccccc1C(=O)N(CC(C)C)c1nc2ccccc2s1 ZINC000014382384 564112441 /nfs/dbraw/zinc/11/24/41/564112441.db2.gz SMJLNLVNMFYSBX-UHFFFAOYSA-N 0 0 340.448 4.608 50 0 EJAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(Cl)ccc3F)cc2)n1 ZINC000014424437 564112480 /nfs/dbraw/zinc/11/24/80/564112480.db2.gz WRHZHYOUTWDYQP-UHFFFAOYSA-N 0 0 343.789 4.534 50 0 EJAARN CCOc1ncccc1C(=O)Nc1c(CC)ccc(Cl)c1CC ZINC000014664099 564113036 /nfs/dbraw/zinc/11/30/36/564113036.db2.gz DHQGKWGXVSRFPV-UHFFFAOYSA-N 0 0 332.831 4.511 50 0 EJAARN O=C(NCc1cc2ccccc2o1)c1cc2ccccc2c(Cl)n1 ZINC000089873051 564114415 /nfs/dbraw/zinc/11/44/15/564114415.db2.gz RQXIEQREKCIDHB-UHFFFAOYSA-N 0 0 336.778 4.564 50 0 EJAARN COc1ccc(-c2nc(CSc3nc(C)c(C)s3)co2)cc1 ZINC000076040563 564114780 /nfs/dbraw/zinc/11/47/80/564114780.db2.gz OWDYDOIXNFZHQE-UHFFFAOYSA-N 0 0 332.450 4.716 50 0 EJAARN CC(C)c1cnc(SCc2nnc(-c3ccco3)o2)n1C(C)C ZINC000089893497 564114849 /nfs/dbraw/zinc/11/48/49/564114849.db2.gz OCRGLMXVNPHREY-UHFFFAOYSA-N 0 0 332.429 4.523 50 0 EJAARN CC[C@H](C)C(=O)Nc1nc(-c2ccccc2)c(Br)s1 ZINC000089942157 564115597 /nfs/dbraw/zinc/11/55/97/564115597.db2.gz VLHISMRYRBGUCI-VIFPVBQESA-N 0 0 339.258 4.557 50 0 EJAARN Cc1ccc(CN(C)C(=O)c2cc(C3CC3)nc3ccc(C)cc32)o1 ZINC000076094054 564115708 /nfs/dbraw/zinc/11/57/08/564115708.db2.gz OUNAETHWBBKPPD-UHFFFAOYSA-N 0 0 334.419 4.594 50 0 EJAARN CCc1cc2c([nH]c(=S)n(-c3ccc(C(C)C)cc3)c2=O)s1 ZINC000017067876 564116353 /nfs/dbraw/zinc/11/63/53/564116353.db2.gz CSNDTOQVTNDIGT-UHFFFAOYSA-N 0 0 330.478 4.796 50 0 EJAARN Cc1ccc(-n2ncc3c2ncnc3Nc2ccc(Cl)cc2)cc1C ZINC000017120447 564116507 /nfs/dbraw/zinc/11/65/07/564116507.db2.gz WOFLTJTZWGLAGI-UHFFFAOYSA-N 0 0 349.825 4.829 50 0 EJAARN Cc1ccc(SCc2ccc(C(=O)NCc3cccnc3)cc2)cc1 ZINC000001050707 564116799 /nfs/dbraw/zinc/11/67/99/564116799.db2.gz CKVWCYUAKNMBLM-UHFFFAOYSA-N 0 0 348.471 4.612 50 0 EJAARN CCOc1cc(C=O)ccc1OCCSc1ccc(Cl)cc1 ZINC000002875952 564117085 /nfs/dbraw/zinc/11/70/85/564117085.db2.gz LHCPEUGCFXLWOU-UHFFFAOYSA-N 0 0 336.840 4.722 50 0 EJAARN CCCCOc1ccc(C(=O)Nc2ccc(C)cc2)cc1OCC ZINC000002877744 564117106 /nfs/dbraw/zinc/11/71/06/564117106.db2.gz TUVSILCNKGKAGQ-UHFFFAOYSA-N 0 0 327.424 4.825 50 0 EJAARN O=C(COc1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1F ZINC000003016817 564117138 /nfs/dbraw/zinc/11/71/38/564117138.db2.gz HTUYDXOABNURSW-UHFFFAOYSA-N 0 0 347.695 4.515 50 0 EJAARN CCC(=O)N(CC[C@H](c1ccco1)C(C)C)Cc1ccc(OC)cc1 ZINC000002092101 564117550 /nfs/dbraw/zinc/11/75/50/564117550.db2.gz DEVJIOLNJVXLNQ-IBGZPJMESA-N 0 0 343.467 4.857 50 0 biogenic EJAARN CCC(=O)N(CC[C@H](C(C)C)[C@@H]1CCOC(C)(C)C1)Cc1ccco1 ZINC000002106207 564117904 /nfs/dbraw/zinc/11/79/04/564117904.db2.gz LSPWQLQHZZKYDW-IEBWSBKVSA-N 0 0 349.515 4.886 50 0 biogenic EJAARN Cc1ccc(NC(=O)[C@H](C)N2CCC[C@H]2c2ccsc2)c(C)c1 ZINC000252452303 564118509 /nfs/dbraw/zinc/11/85/09/564118509.db2.gz BBWLQNXFFZVDJX-YJBOKZPZSA-N 0 0 328.481 4.529 50 0 EJAARN Cc1ccc(C)c(N2COc3c(C)c4oc(=O)c(C)c(C)c4cc3C2)c1 ZINC000002158330 564119589 /nfs/dbraw/zinc/11/95/89/564119589.db2.gz MOPBMCOJHNPMRB-UHFFFAOYSA-N 0 0 349.430 4.692 50 0 biogenic EJAARN O=C(c1cccs1)N1CCS[C@@H](c2ccccc2Cl)CC1 ZINC000208046626 564119619 /nfs/dbraw/zinc/11/96/19/564119619.db2.gz HVKHZMZTCRJGPS-CQSZACIVSA-N 0 0 337.897 4.722 50 0 EJAARN CCn1c(SCc2cccc(Cl)n2)nnc1-c1ccccc1C ZINC000170644064 564120059 /nfs/dbraw/zinc/12/00/59/564120059.db2.gz DLMLOWUANADEEN-UHFFFAOYSA-N 0 0 344.871 4.614 50 0 EJAARN CC(C)(C)SC[C@H]1CCCCN1C(=O)CCc1ccccc1F ZINC000390828746 564120172 /nfs/dbraw/zinc/12/01/72/564120172.db2.gz BUMHGHDLWUBGQF-MRXNPFEDSA-N 0 0 337.504 4.671 50 0 EJAARN Cc1oc2cc(OC(=O)C3CCCC3)ccc2c(=O)c1-c1ccccc1 ZINC000007650822 564121495 /nfs/dbraw/zinc/12/14/95/564121495.db2.gz BDDTZDYQVXJPTH-UHFFFAOYSA-N 0 0 348.398 4.864 50 0 EJAARN O=C(OCc1cc(-c2cccs2)on1)c1cc2ccccc2o1 ZINC000007644841 564121500 /nfs/dbraw/zinc/12/15/00/564121500.db2.gz WZJRVJLIGHHJSW-UHFFFAOYSA-N 0 0 325.345 4.506 50 0 EJAARN COc1c(Cl)cccc1NC(=O)c1cc2ccc(C)cc2nc1C ZINC000065863736 564121827 /nfs/dbraw/zinc/12/18/27/564121827.db2.gz OPBPFIFRUCAGSW-UHFFFAOYSA-N 0 0 340.810 4.766 50 0 EJAARN Cc1csc(N(C(=O)c2cc(F)cc(F)c2)c2ccccc2)n1 ZINC000007688839 564121945 /nfs/dbraw/zinc/12/19/45/564121945.db2.gz YQMLCZIZTOPUIV-UHFFFAOYSA-N 0 0 330.359 4.708 50 0 EJAARN CN(Cc1nc2ccccc2s1)Cc1nc2ccccc2s1 ZINC000007689220 564121964 /nfs/dbraw/zinc/12/19/64/564121964.db2.gz LYVWYXXVYCECJE-UHFFFAOYSA-N 0 0 325.462 4.538 50 0 EJAARN C[C@H](Sc1ccccc1F)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000007716057 564122191 /nfs/dbraw/zinc/12/21/91/564122191.db2.gz ITKOPBKEHAWEMB-SUMWQHHRSA-N 0 0 329.440 4.500 50 0 EJAARN Cc1cc2nc(Nc3ccc(F)c(Cl)c3)c3ccccc3n2n1 ZINC000007737816 564122555 /nfs/dbraw/zinc/12/25/55/564122555.db2.gz HAYSZDDHPAAOHT-UHFFFAOYSA-N 0 0 326.762 4.727 50 0 EJAARN C[C@H]1C[C@H](C)CN(c2nc(-c3ccccc3F)nc3ccccc32)C1 ZINC000002212601 564122860 /nfs/dbraw/zinc/12/28/60/564122860.db2.gz CFBQVHQSIOEIPP-GJZGRUSLSA-N 0 0 335.426 4.918 50 0 EJAARN COc1cccc(CSc2nnc(-c3cccs3)n2C2CC2)c1 ZINC000007763630 564122892 /nfs/dbraw/zinc/12/28/92/564122892.db2.gz LNANCZCSCCLPPY-UHFFFAOYSA-N 0 0 343.477 4.642 50 0 EJAARN O[C@@H](c1ccccc1)[C@@]1(c2ccccc2)O[C@@H]2CCCCCC[C@@H]2O1 ZINC000252622770 564122942 /nfs/dbraw/zinc/12/29/42/564122942.db2.gz OCBKKPZQWLEFFE-LNRXMEIDSA-N 0 0 338.447 4.711 50 0 EJAARN O[C@H](c1ccccc1)[C@@]1(c2ccccc2)O[C@@H]2CCCCCC[C@@H]2O1 ZINC000252622771 564122946 /nfs/dbraw/zinc/12/29/46/564122946.db2.gz OCBKKPZQWLEFFE-MBDNFAEBSA-N 0 0 338.447 4.711 50 0 EJAARN CCOc1ccc(N(C(=O)C2CC2)c2nc3ccccc3s2)cc1 ZINC000007778873 564123073 /nfs/dbraw/zinc/12/30/73/564123073.db2.gz ALPFFTYSPSGUIR-UHFFFAOYSA-N 0 0 338.432 4.770 50 0 EJAARN O=C(Nc1ccc(F)cc1)c1ccc(-c2nc3ccccc3s2)o1 ZINC000007780436 564123172 /nfs/dbraw/zinc/12/31/72/564123172.db2.gz OLOCSRGATXGQNJ-UHFFFAOYSA-N 0 0 338.363 4.948 50 0 EJAARN CCSc1nnc(-c2ccc(OC)cc2)n1[C@@H]1CCCC[C@H]1C ZINC000007780508 564123177 /nfs/dbraw/zinc/12/31/77/564123177.db2.gz FENCPVBIEMKQNK-CZUORRHYSA-N 0 0 331.485 4.817 50 0 EJAARN Cc1csc(N(C(=O)Cc2ccc3c(c2)CCC3)c2ccccc2)n1 ZINC000007781042 564123201 /nfs/dbraw/zinc/12/32/01/564123201.db2.gz VIMJFPOKPALAJY-UHFFFAOYSA-N 0 0 348.471 4.848 50 0 EJAARN Cc1cccc(C(C)C)c1NC(=O)CN1CCc2sccc2[C@H]1C ZINC000007878422 564124331 /nfs/dbraw/zinc/12/43/31/564124331.db2.gz DTTWXKSSHLBTKN-OAHLLOKOSA-N 0 0 342.508 4.738 50 0 EJAARN CSc1ccc(CN(C)[C@@H](C)c2nnc(-c3cccs3)o2)cc1 ZINC000007918594 564125165 /nfs/dbraw/zinc/12/51/65/564125165.db2.gz YLMHSGRFASYVHD-LBPRGKRZSA-N 0 0 345.493 4.713 50 0 EJAARN CCOc1ccccc1NC(=O)c1csc(-c2ccc(F)cc2)n1 ZINC000007920456 564125402 /nfs/dbraw/zinc/12/54/02/564125402.db2.gz XUFONNYYUASYDA-UHFFFAOYSA-N 0 0 342.395 4.600 50 0 EJAARN CCCCNc1ncnc2c1sc1nc(C)c3c(c12)CCCC3 ZINC000002275336 564125599 /nfs/dbraw/zinc/12/55/99/564125599.db2.gz BPLRLYVQYJVLLM-UHFFFAOYSA-N 0 0 326.469 4.639 50 0 EJAARN C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CC5(CC[C@]4(C)[C@H]3CC[C@@]21C)OCCO5 ZINC000013466952 564128990 /nfs/dbraw/zinc/12/89/90/564128990.db2.gz OCPDFDRDDCQKEV-NTHNXFDUSA-N 0 0 348.527 4.523 50 0 EJAARN CC(=O)Nc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000019878578 564129075 /nfs/dbraw/zinc/12/90/75/564129075.db2.gz GYOYNCBCRBACTM-UHFFFAOYSA-N 0 0 347.414 4.803 50 0 EJAARN CCCO[C@@H]1CCCN(C(=O)Nc2cccc(SC)c2C)CC1 ZINC000253418054 564130845 /nfs/dbraw/zinc/13/08/45/564130845.db2.gz XKJIFYHVJOKRJQ-OAHLLOKOSA-N 0 0 336.501 4.530 50 0 EJAARN O=C(Nc1ncc(C(F)(F)F)s1)N1CCC[C@H]1c1cccs1 ZINC000253428030 564131216 /nfs/dbraw/zinc/13/12/16/564131216.db2.gz GGANJLIMULZARN-QMMMGPOBSA-N 0 0 347.387 4.592 50 0 EJAARN Cc1coc2ccc(NC(=O)N3CCC(c4nccs4)CC3)cc12 ZINC000253431994 564131763 /nfs/dbraw/zinc/13/17/63/564131763.db2.gz VHURVHPWFCWVER-UHFFFAOYSA-N 0 0 341.436 4.609 50 0 EJAARN CSCc1nnc(SC[C@H](C)c2ccc(C(F)(F)F)cc2)o1 ZINC000253432582 564131847 /nfs/dbraw/zinc/13/18/47/564131847.db2.gz LKNGCJIIJSWXAR-VIFPVBQESA-N 0 0 348.415 4.847 50 0 EJAARN COP(=O)(OC)[C@H](Nc1ccc(Cl)cc1)c1ccccc1 ZINC000002306211 564132113 /nfs/dbraw/zinc/13/21/13/564132113.db2.gz KONUECVLMWQWKY-HNNXBMFYSA-N 0 0 325.732 4.937 50 0 EJAARN C[C@@H]1CCCc2sc3ncn4nc(-c5ccc(F)cc5)nc4c3c21 ZINC000002346233 564132520 /nfs/dbraw/zinc/13/25/20/564132520.db2.gz MKJXTZXQXDJCEM-SNVBAGLBSA-N 0 0 338.411 4.585 50 0 EJAARN C[C@H](NC(=O)c1c[nH]c(=O)c2ccccc12)c1ccc2ccccc2c1 ZINC000253536940 564133037 /nfs/dbraw/zinc/13/30/37/564133037.db2.gz RHVMAPJRCSBHQX-AWEZNQCLSA-N 0 0 342.398 4.585 50 0 EJAARN C[C@@H](NC(=O)c1c[nH]c(=O)c2ccccc12)c1ccc2ccccc2c1 ZINC000253536942 564133093 /nfs/dbraw/zinc/13/30/93/564133093.db2.gz RHVMAPJRCSBHQX-CQSZACIVSA-N 0 0 342.398 4.585 50 0 EJAARN O=C(Nc1cccc(F)c1)c1ccc2noc(-c3ccccc3)c2c1 ZINC000007940457 564133633 /nfs/dbraw/zinc/13/36/33/564133633.db2.gz NVUNAPSKMRHLSS-UHFFFAOYSA-N 0 0 332.334 4.886 50 0 EJAARN FC(F)(F)c1cc(Cl)c2nnc(-c3ccc(Cl)cc3)n2c1 ZINC000008925782 564134179 /nfs/dbraw/zinc/13/41/79/564134179.db2.gz UFSAXVRSJRXDOL-UHFFFAOYSA-N 0 0 332.112 4.722 50 0 EJAARN CCOc1ccc(C(=O)Nc2sc(C)nc2-c2ccccc2)cc1 ZINC000522866373 564134302 /nfs/dbraw/zinc/13/43/02/564134302.db2.gz ACHVSIQAAVEZRC-UHFFFAOYSA-N 0 0 338.432 4.770 50 0 EJAARN O=C(CCCc1c[nH]c2ccccc12)N1CCCC[C@@H]1c1cccnc1 ZINC000225411415 564134523 /nfs/dbraw/zinc/13/45/23/564134523.db2.gz XKYKVYFGVZEROH-OAQYLSRUSA-N 0 0 347.462 4.639 50 0 biogenic EJAARN CC(=O)N1N=C(c2ccc(Cl)cc2)O[C@@H]1c1ccc(C(C)C)cc1 ZINC000002424827 564134978 /nfs/dbraw/zinc/13/49/78/564134978.db2.gz WAIRJEDFUSEKGC-LJQANCHMSA-N 0 0 342.826 4.703 50 0 EJAARN Cc1cc(C)cc(Nc2ncc3c(n2)C[C@@H](c2cccs2)CC3=O)c1 ZINC000002429888 564134994 /nfs/dbraw/zinc/13/49/94/564134994.db2.gz KWCPACIPDLOVAU-CQSZACIVSA-N 0 0 349.459 4.811 50 0 EJAARN CCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C ZINC000012653101 564135383 /nfs/dbraw/zinc/13/53/83/564135383.db2.gz ULJOJMSGJSWPSE-QFJIJFTOSA-N 0 0 342.479 4.616 50 0 biogenic EJAARN CSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000002456235 564136063 /nfs/dbraw/zinc/13/60/63/564136063.db2.gz YWGXVERHGWAPHC-UHFFFAOYSA-N 0 0 335.407 4.949 50 0 EJAARN Fc1ccc(-c2nc3n(n2)C2(CCCCC2)[C@@H]2CCCC[C@@H]2N3)cc1 ZINC000013375894 564136358 /nfs/dbraw/zinc/13/63/58/564136358.db2.gz FBWUYBQJFMKEFZ-SJORKVTESA-N 0 0 340.446 4.728 50 0 biogenic EJAARN CC[C@@H](Sc1nncn1-c1ccccc1OC)c1ccccc1 ZINC000078718268 564136935 /nfs/dbraw/zinc/13/69/35/564136935.db2.gz YVUFARBXOUNYBT-QGZVFWFLSA-N 0 0 325.437 4.519 50 0 EJAARN O=C(CCc1ccccc1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000078797165 564137165 /nfs/dbraw/zinc/13/71/65/564137165.db2.gz UGWCLFPUHWWZEN-NRFANRHFSA-N 0 0 332.447 4.854 50 0 EJAARN Cc1nnc([C@H](C)N[C@H](C)c2ccc(Oc3ccccc3)c(F)c2)o1 ZINC000079029699 564137677 /nfs/dbraw/zinc/13/76/77/564137677.db2.gz YTXZRSFELDYRJF-OLZOCXBDSA-N 0 0 341.386 4.721 50 0 EJAARN O=C(CCc1cccc(F)c1)N1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC000079103439 564137880 /nfs/dbraw/zinc/13/78/80/564137880.db2.gz IDKSESRUUSBINI-SIKLNZKXSA-N 0 0 337.438 4.686 50 0 EJAARN O=C(/C=C/c1ccccc1)N[C@H](c1ccsc1)c1cccs1 ZINC000390827228 564138530 /nfs/dbraw/zinc/13/85/30/564138530.db2.gz VEVZAOUGLAPHIK-GFOMBABLSA-N 0 0 325.458 4.729 50 0 EJAARN CC1=NC(Nc2nc3ccccc3c(-c3ccccc3)n2)=NC(C)(C)C1 ZINC000020170749 564138671 /nfs/dbraw/zinc/13/86/71/564138671.db2.gz FGZIHNNHTZUETH-UHFFFAOYSA-N 0 0 343.434 4.708 50 0 EJAARN Cc1cnc(CN[C@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)o1 ZINC000390833007 564138714 /nfs/dbraw/zinc/13/87/14/564138714.db2.gz ANRJXCVGZBGFJH-HNNXBMFYSA-N 0 0 344.764 4.896 50 0 EJAARN C[C@H](NC(=S)N1CCCSc2ccccc21)c1ccccc1 ZINC000095350817 564139228 /nfs/dbraw/zinc/13/92/28/564139228.db2.gz WPKHZCBTXMTUAT-AWEZNQCLSA-N 0 0 328.506 4.625 50 0 EJAARN Cc1nn(C(C)C)c(C)c1NC(=O)CC1(n2cccc2)CCCCC1 ZINC000095474199 564141373 /nfs/dbraw/zinc/14/13/73/564141373.db2.gz YFRSVUXYBWYQMS-UHFFFAOYSA-N 0 0 342.487 4.571 50 0 EJAARN O=C(Nc1ccc(F)c(Cl)c1)N1C[C@H]2CCCN2c2ccccc21 ZINC000020597603 564141688 /nfs/dbraw/zinc/14/16/88/564141688.db2.gz NVSAENCEIWAWLU-CYBMUJFWSA-N 0 0 345.805 4.500 50 0 EJAARN COc1ccccc1-c1cnc(CNc2cccc([C@H](C)OC)c2)o1 ZINC000080757476 564141743 /nfs/dbraw/zinc/14/17/43/564141743.db2.gz VHTSKTKHWIUAML-AWEZNQCLSA-N 0 0 338.407 4.670 50 0 EJAARN CCO[C@@H](C)c1nc(CN[C@@]2(C)CCCc3ccccc32)cs1 ZINC000095960510 564142713 /nfs/dbraw/zinc/14/27/13/564142713.db2.gz DBEZIRXABCBRRX-LIRRHRJNSA-N 0 0 330.497 4.582 50 0 EJAARN Cc1nc2c(s1)[C@@H](NCc1coc(-c3ccc(C)cc3)n1)CCC2 ZINC000095968794 564143254 /nfs/dbraw/zinc/14/32/54/564143254.db2.gz AOUHBIJFDFXRNE-INIZCTEOSA-N 0 0 339.464 4.582 50 0 EJAARN CCOC(=O)[C@H](NCC[C@@H](C)CC(C)(C)C)c1ccccc1Cl ZINC000096026425 564144932 /nfs/dbraw/zinc/14/49/32/564144932.db2.gz ALRYVEUWOHBWSB-RHSMWYFYSA-N 0 0 339.907 4.996 50 0 EJAARN C[C@@H]1CCC[C@H](C)N1CC(=O)OC(c1ccccc1)c1ccccc1 ZINC000096027614 564144999 /nfs/dbraw/zinc/14/49/99/564144999.db2.gz WGPIBJKFCPLPKD-HDICACEKSA-N 0 0 337.463 4.582 50 0 EJAARN O=C(CSC/C=C\c1ccccc1)Nc1ccccc1OC(F)F ZINC000096121261 564145549 /nfs/dbraw/zinc/14/55/49/564145549.db2.gz ATJILNDPXZLKRH-TWGQIWQCSA-N 0 0 349.402 4.673 50 0 EJAARN Cc1[nH]c2c(c1CCNC(=O)Nc1cccc(C)c1)c(C)ccc2C ZINC000096182560 564145856 /nfs/dbraw/zinc/14/58/56/564145856.db2.gz XQFMZZIBWLDDGQ-UHFFFAOYSA-N 0 0 335.451 4.766 50 0 EJAARN Cc1nc(C(C)C)c(C(=O)Nc2nc3c(s2)CCCCC3)s1 ZINC000096223656 564146027 /nfs/dbraw/zinc/14/60/27/564146027.db2.gz ZBLDRPCAADJANZ-UHFFFAOYSA-N 0 0 335.498 4.553 50 0 EJAARN COc1ccc(C(=O)COc2ccc3occ(-c4ccco4)c3c2)cc1 ZINC000096222110 564146032 /nfs/dbraw/zinc/14/60/32/564146032.db2.gz TXSLWEVMUJAQQW-UHFFFAOYSA-N 0 0 348.354 4.963 50 0 biogenic EJAARN CSc1cccc(NC(=O)N2Cc3cccn3-c3ccccc32)c1 ZINC000021533980 564146175 /nfs/dbraw/zinc/14/61/75/564146175.db2.gz QSKVMSJKERLWMV-UHFFFAOYSA-N 0 0 335.432 4.751 50 0 EJAARN CC[C@H](C)[C@@H](NC(=O)CC(C)C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096278070 564146305 /nfs/dbraw/zinc/14/63/05/564146305.db2.gz OPLXJKGSPXVGSR-BLLLJJGKSA-N 0 0 349.862 4.640 50 0 EJAARN COc1ccc(Nc2nc(-c3ccco3)nc3ccc(C)cc32)cc1 ZINC000096289067 564146410 /nfs/dbraw/zinc/14/64/10/564146410.db2.gz CRPOIVAWSOQING-UHFFFAOYSA-N 0 0 331.375 4.950 50 0 EJAARN COc1cc(OC)c(OC)cc1/C=C\c1nc2cc(Cl)ccc2o1 ZINC000096400355 564147031 /nfs/dbraw/zinc/14/70/31/564147031.db2.gz AWJLCZXNGLMKMK-DAXSKMNVSA-N 0 0 345.782 4.677 50 0 EJAARN CN(c1ccccc1)c1ccccc1NC(=O)/C=C\c1cscn1 ZINC000096402100 564147113 /nfs/dbraw/zinc/14/71/13/564147113.db2.gz UGAKYAPBAZMVIS-QXMHVHEDSA-N 0 0 335.432 4.563 50 0 EJAARN CN(Cc1ccncc1)C(=O)Nc1sc2ccccc2c1Cl ZINC000096406753 564147327 /nfs/dbraw/zinc/14/73/27/564147327.db2.gz XQWALHSFXIPDBE-UHFFFAOYSA-N 0 0 331.828 4.614 50 0 EJAARN CC(C)(NC(=O)Nc1ccccc1SC(F)F)c1nccs1 ZINC000096407940 564147435 /nfs/dbraw/zinc/14/74/35/564147435.db2.gz QFDNGUHFOAHRTN-UHFFFAOYSA-N 0 0 343.424 4.515 50 0 EJAARN Cc1nnc(-c2ccccc2NC(=O)[C@H](C)c2cc3ccccc3o2)o1 ZINC000096451933 564148255 /nfs/dbraw/zinc/14/82/55/564148255.db2.gz SLFXOQXGZRHPGB-GFCCVEGCSA-N 0 0 347.374 4.533 50 0 EJAARN COc1cc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)cc(OC)c1 ZINC000007969918 564148289 /nfs/dbraw/zinc/14/82/89/564148289.db2.gz GFRPKIXBZLPFDD-GOSISDBHSA-N 0 0 347.842 4.736 50 0 EJAARN CC(C)c1ccc(NC(=O)N2CCC[C@@H]([C@@H](C)O)C2)c(C(C)C)c1 ZINC000096483242 564148629 /nfs/dbraw/zinc/14/86/29/564148629.db2.gz MGVSNMHKUYDIAF-NVXWUHKLSA-N 0 0 332.488 4.558 50 0 EJAARN O=C(/C=C\c1ccco1)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000096942629 564149015 /nfs/dbraw/zinc/14/90/15/564149015.db2.gz CNAQJGCCXAQGDR-QXMHVHEDSA-N 0 0 347.374 4.576 50 0 EJAARN CCCN(C)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)s1 ZINC000022350844 564149175 /nfs/dbraw/zinc/14/91/75/564149175.db2.gz HLLDWAREDCSSNZ-UHFFFAOYSA-N 0 0 327.371 4.916 50 0 EJAARN Nc1cccc(-c2cc(-c3ccccc3)nc(-c3cccc(N)c3)n2)c1 ZINC000002474891 564149700 /nfs/dbraw/zinc/14/97/00/564149700.db2.gz HZUAVTORYLLBPX-UHFFFAOYSA-N 0 0 338.414 4.642 50 0 EJAARN O=C(NC[C@H](O)c1cccc2ccccc21)c1cc2ccccc2s1 ZINC000225617920 564149998 /nfs/dbraw/zinc/14/99/98/564149998.db2.gz INRDQJGSZKFHAB-SFHVURJKSA-N 0 0 347.439 4.518 50 0 EJAARN CCN(CC)c1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 ZINC000002512649 564150267 /nfs/dbraw/zinc/15/02/67/564150267.db2.gz SUJPFCDWBSVXPQ-UHFFFAOYSA-N 0 0 336.479 4.983 50 0 EJAARN O=C(OCCOc1ccc(Oc2ccccc2)cc1)c1ccccc1 ZINC000028294502 564150943 /nfs/dbraw/zinc/15/09/43/564150943.db2.gz OITOGODLDLGWAT-UHFFFAOYSA-N 0 0 334.371 4.715 50 0 EJAARN CCCOc1ccc(N[P@@](C)(=O)Oc2ccccc2OC)cc1 ZINC000002590109 564151104 /nfs/dbraw/zinc/15/11/04/564151104.db2.gz CDUVAYNODXFMBM-QHCPKHFHSA-N 0 0 335.340 4.798 50 0 EJAARN CCCSc1nc2sc3c(c2c(=O)n1[C@@H](C)CC)CCCC3 ZINC000002624846 564151299 /nfs/dbraw/zinc/15/12/99/564151299.db2.gz LVKYJJSKEVQLRU-NSHDSACASA-N 0 0 336.526 4.810 50 0 EJAARN Cc1ccc(SCC(=O)Nc2ncc(Cl)cc2Cl)cc1C ZINC000002631875 564151507 /nfs/dbraw/zinc/15/15/07/564151507.db2.gz AQFIGDYOTPCCOF-UHFFFAOYSA-N 0 0 341.263 4.736 50 0 EJAARN c1[nH]c2ccccc2c1-c1csc(Nc2ccc3c(c2)OCCO3)n1 ZINC000002636815 564151590 /nfs/dbraw/zinc/15/15/90/564151590.db2.gz WXZOKGQQTIJOGA-UHFFFAOYSA-N 0 0 349.415 4.806 50 0 EJAARN Cc1csc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)n1 ZINC000028576161 564151625 /nfs/dbraw/zinc/15/16/25/564151625.db2.gz AHOFCXQOSPVECL-UHFFFAOYSA-N 0 0 348.811 4.529 50 0 EJAARN CCc1nc2cc(N[C@@H](C)c3nnc(-c4ccc(C)cc4)o3)ccc2o1 ZINC000056201062 564151665 /nfs/dbraw/zinc/15/16/65/564151665.db2.gz QNOSBFJMECTLOO-ZDUSSCGKSA-N 0 0 348.406 4.922 50 0 EJAARN CC(=O)c1ccc(OCCCC(=O)Nc2ccc3ccccc3c2)cc1 ZINC000002639490 564151667 /nfs/dbraw/zinc/15/16/67/564151667.db2.gz IGVKAJLIZWNCMZ-UHFFFAOYSA-N 0 0 347.414 4.840 50 0 EJAARN O=C(COc1ccc(Cl)cc1C1CCCCC1)NC1CCCC1 ZINC000002648568 564151825 /nfs/dbraw/zinc/15/18/25/564151825.db2.gz MKHQMOGDHHSAAE-UHFFFAOYSA-N 0 0 335.875 4.825 50 0 EJAARN Cc1ccc(-c2csc(NC(=O)C3(c4ccccc4)CC3)n2)cc1 ZINC000002652646 564151896 /nfs/dbraw/zinc/15/18/96/564151896.db2.gz ZLSGMYNRBOJGCW-UHFFFAOYSA-N 0 0 334.444 4.789 50 0 EJAARN Cc1ccccc1OCCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000002652486 564151906 /nfs/dbraw/zinc/15/19/06/564151906.db2.gz XKEWCSPXLJSRGJ-UHFFFAOYSA-N 0 0 345.442 4.670 50 0 EJAARN CC(=O)c1ccccc1NC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000002655234 564151980 /nfs/dbraw/zinc/15/19/80/564151980.db2.gz SBWYXRYMLTYIBD-UHFFFAOYSA-N 0 0 329.399 4.737 50 0 EJAARN O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccccc1Cl ZINC000002663421 564152079 /nfs/dbraw/zinc/15/20/79/564152079.db2.gz MHXWXEHTZKRXOU-UHFFFAOYSA-N 0 0 349.177 4.687 50 0 EJAARN CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CCC1CCCCC1 ZINC000002721950 564152284 /nfs/dbraw/zinc/15/22/84/564152284.db2.gz ZAEOTOBXPNABON-UHFFFAOYSA-N 0 0 342.439 4.644 50 0 EJAARN Clc1ccc(Cl)c(SCn2cc(Br)cn2)c1 ZINC000002785001 564152633 /nfs/dbraw/zinc/15/26/33/564152633.db2.gz DIJAMIZJTNHTPU-UHFFFAOYSA-N 0 0 338.057 4.702 50 0 EJAARN Cc1ccc([C@H]2C[C@@H](c3cccc(Cl)c3)n3ncnc3N2)cc1C ZINC000002919584 564153041 /nfs/dbraw/zinc/15/30/41/564153041.db2.gz JGQKRLCBLLUPJI-MSOLQXFVSA-N 0 0 338.842 4.695 50 0 EJAARN CC(C)CCn1c(=O)c2sccc2nc1SCc1ccccc1 ZINC000002925167 564153070 /nfs/dbraw/zinc/15/30/70/564153070.db2.gz DTLUSFFBAZRBFY-UHFFFAOYSA-N 0 0 344.505 4.796 50 0 EJAARN CCOc1ccc(NC(=O)NCCCSC2CCCCC2)cc1 ZINC000002933349 564153097 /nfs/dbraw/zinc/15/30/97/564153097.db2.gz WBPXRGFRLWXVGC-UHFFFAOYSA-N 0 0 336.501 4.663 50 0 EJAARN Cc1ccc(NC(=O)[C@H](c2ccc(Cl)cc2)N2CCCCC2)cc1 ZINC000057049688 564153222 /nfs/dbraw/zinc/15/32/22/564153222.db2.gz XRXSAOYZUCDCSA-IBGZPJMESA-N 0 0 342.870 4.814 50 0 EJAARN CC[C@@H](C)N1COc2c(C)c3oc(=O)cc(-c4ccccc4)c3cc2C1 ZINC000057134842 564153303 /nfs/dbraw/zinc/15/33/03/564153303.db2.gz DNLUCONPWVCIGA-CQSZACIVSA-N 0 0 349.430 4.719 50 0 biogenic EJAARN COc1ccccc1-c1cc(COc2cccc3ccc(C)nc32)on1 ZINC000029376741 564153388 /nfs/dbraw/zinc/15/33/88/564153388.db2.gz YDNPPWXKLVVHRB-UHFFFAOYSA-N 0 0 346.386 4.786 50 0 EJAARN C[C@H]1CCCC[C@@H]1NC(=O)CCSCc1cccc(Cl)c1 ZINC000002953836 564153755 /nfs/dbraw/zinc/15/37/55/564153755.db2.gz DSJJDQLEEJURQD-BBRMVZONSA-N 0 0 325.905 4.658 50 0 EJAARN Cc1ccc(C(=O)Nc2cccc(-c3nc4cccnc4s3)c2)cc1 ZINC000002961475 564153825 /nfs/dbraw/zinc/15/38/25/564153825.db2.gz BWJMPHMBXYDEQO-UHFFFAOYSA-N 0 0 345.427 4.919 50 0 EJAARN Cc1cccc(C)c1NC(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000057412209 564154092 /nfs/dbraw/zinc/15/40/92/564154092.db2.gz IZPKVSNWPUBXEE-UHFFFAOYSA-N 0 0 325.799 4.599 50 0 EJAARN CSc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)cc1 ZINC000057412700 564154134 /nfs/dbraw/zinc/15/41/34/564154134.db2.gz BVVDHDUTDMVTMM-UHFFFAOYSA-N 0 0 343.839 4.704 50 0 EJAARN C[C@@H](Oc1ccc(Cl)cc1)c1ccnn1C(=O)Nc1ccccc1 ZINC000003017463 564154399 /nfs/dbraw/zinc/15/43/99/564154399.db2.gz LOKWBQKIAJEWGQ-CYBMUJFWSA-N 0 0 341.798 4.757 50 0 EJAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)n[nH]2)cc1 ZINC000057477050 564154436 /nfs/dbraw/zinc/15/44/36/564154436.db2.gz XJQNZTKHWIDXHG-UHFFFAOYSA-N 0 0 345.324 4.656 50 0 EJAARN C[C@@H]1CCCC[C@H]1NC(=O)CCSCc1ccccc1Cl ZINC000003031995 564154529 /nfs/dbraw/zinc/15/45/29/564154529.db2.gz ZIDJGIVMFSJGFT-CZUORRHYSA-N 0 0 325.905 4.658 50 0 EJAARN Cc1nc(C(F)(F)F)c(C(=O)N[C@H](C)c2ccc(Cl)cc2)s1 ZINC000003047038 564154644 /nfs/dbraw/zinc/15/46/44/564154644.db2.gz YKCSZJDOGLOBFD-SSDOTTSWSA-N 0 0 348.777 4.615 50 0 EJAARN Cc1cccc(Oc2ccc(OCC(=O)Nc3ccccc3)cc2)c1 ZINC000003097107 564155111 /nfs/dbraw/zinc/15/51/11/564155111.db2.gz BZOYLXOAPDZOQB-UHFFFAOYSA-N 0 0 333.387 4.805 50 0 EJAARN C[C@@H](NC(=O)c1cccc2ncccc21)c1ccc(C(F)(F)F)cc1 ZINC000030114824 564155427 /nfs/dbraw/zinc/15/54/27/564155427.db2.gz KMGPWROYYNTSML-GFCCVEGCSA-N 0 0 344.336 4.745 50 0 EJAARN O=C1N(c2cccc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2)C1(F)F ZINC000003179873 564155733 /nfs/dbraw/zinc/15/57/33/564155733.db2.gz ANVZUBJKXRJHBJ-CYBMUJFWSA-N 0 0 345.242 4.568 50 0 EJAARN CC(C)c1ccccc1NC(=O)COC(=O)c1ccc2ccccc2c1 ZINC000003217755 564156131 /nfs/dbraw/zinc/15/61/31/564156131.db2.gz CUEIGYIROKMGRS-UHFFFAOYSA-N 0 0 347.414 4.759 50 0 EJAARN CCN(C(=O)CSc1nc2ccccc2s1)C1CCCCC1 ZINC000003228622 564156284 /nfs/dbraw/zinc/15/62/84/564156284.db2.gz LRUMFXKKWUCSLH-UHFFFAOYSA-N 0 0 334.510 4.570 50 0 EJAARN O=C(COC(=O)c1cccc2ccccc21)c1cc2ccccc2o1 ZINC000003229243 564156323 /nfs/dbraw/zinc/15/63/23/564156323.db2.gz PHAZFFJXVGUUBT-UHFFFAOYSA-N 0 0 330.339 4.626 50 0 EJAARN COc1cccc(COc2ncnc3c(Cl)cc(Cl)cc23)c1 ZINC000003285876 564156953 /nfs/dbraw/zinc/15/69/53/564156953.db2.gz OHJPAUYEHWWVLU-UHFFFAOYSA-N 0 0 335.190 4.524 50 0 EJAARN Cc1cc2occ(CC(=O)N[C@@H]3CCCc4ccccc43)c2cc1C ZINC000003326906 564157348 /nfs/dbraw/zinc/15/73/48/564157348.db2.gz KXWAKLJSDXMEOB-HXUWFJFHSA-N 0 0 333.431 4.786 50 0 EJAARN Cc1ccc(-c2csc(NC(=O)CSC(F)(F)F)n2)cc1C ZINC000058061267 564157349 /nfs/dbraw/zinc/15/73/49/564157349.db2.gz MWYIGELOBPOPFQ-UHFFFAOYSA-N 0 0 346.399 4.618 50 0 EJAARN COc1ccccc1NC(=O)[C@@H](C)Nc1ccc(-c2ccccc2)cc1 ZINC000003353495 564157646 /nfs/dbraw/zinc/15/76/46/564157646.db2.gz LWTVPCXESOUFEX-MRXNPFEDSA-N 0 0 346.430 4.801 50 0 EJAARN Cc1ccccc1COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 ZINC000003437433 564158140 /nfs/dbraw/zinc/15/81/40/564158140.db2.gz LESWCCHEYWDDCK-UHFFFAOYSA-N 0 0 349.386 4.506 50 0 EJAARN O=C(NCc1ccco1)c1oc2ccccc2c1COc1ccccc1 ZINC000003479092 564158366 /nfs/dbraw/zinc/15/83/66/564158366.db2.gz JFWKQNUIWIGIKR-UHFFFAOYSA-N 0 0 347.370 4.535 50 0 EJAARN O=C(Cc1ccsc1)NCCC(c1ccccc1)c1ccccc1 ZINC000003486854 564158398 /nfs/dbraw/zinc/15/83/98/564158398.db2.gz PTXFLHLYTKVIRF-UHFFFAOYSA-N 0 0 335.472 4.629 50 0 EJAARN Cc1cnc(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)s1 ZINC000003524299 564158721 /nfs/dbraw/zinc/15/87/21/564158721.db2.gz DSDOWKUYISWXLK-UHFFFAOYSA-N 0 0 328.437 4.811 50 0 EJAARN Cc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)sc1C ZINC000031128841 564158927 /nfs/dbraw/zinc/15/89/27/564158927.db2.gz QFFJWIJCNLELJI-AWEZNQCLSA-N 0 0 340.448 4.526 50 0 EJAARN Cc1ccc(Oc2ccccc2NC(=O)c2cc(C3CC3)on2)cc1 ZINC000031297201 564159270 /nfs/dbraw/zinc/15/92/70/564159270.db2.gz URFHMIYCXARJHT-UHFFFAOYSA-N 0 0 334.375 4.905 50 0 EJAARN Cc1ccc(Oc2ccccc2NC(=O)c2cn3ccccc3n2)cc1 ZINC000031296494 564159285 /nfs/dbraw/zinc/15/92/85/564159285.db2.gz YHMMXQADNQCFDE-UHFFFAOYSA-N 0 0 343.386 4.687 50 0 EJAARN CC(C)OCc1ccccc1CNC(=O)c1cccc2ccccc21 ZINC000031340815 564159323 /nfs/dbraw/zinc/15/93/23/564159323.db2.gz ZNVODGZRXSCKCY-UHFFFAOYSA-N 0 0 333.431 4.695 50 0 EJAARN COc1ccc(-c2cn(-c3ccc(C)c(F)c3)c(=S)[nH]2)cc1OC ZINC000003906917 564159708 /nfs/dbraw/zinc/15/97/08/564159708.db2.gz ZORWWVPXQUCCGI-UHFFFAOYSA-N 0 0 344.411 4.667 50 0 EJAARN COc1ccc2nc(C)c(C(=O)N3CC[C@H](C)c4ccccc43)cc2c1 ZINC000031781607 564159851 /nfs/dbraw/zinc/15/98/51/564159851.db2.gz VUCITQBSBDNTQN-AWEZNQCLSA-N 0 0 346.430 4.706 50 0 EJAARN Cc1cc(C)n(-c2ccc(CSc3nc4ccccc4[nH]3)cc2)n1 ZINC000031840437 564160028 /nfs/dbraw/zinc/16/00/28/564160028.db2.gz MGVAZYQYVHFKQJ-UHFFFAOYSA-N 0 0 334.448 4.658 50 0 EJAARN CC(=O)c1sc(NC(=O)c2cccc(C)c2)nc1-c1ccccc1 ZINC000004070019 564160320 /nfs/dbraw/zinc/16/03/20/564160320.db2.gz IWEQDFNVLONXGI-UHFFFAOYSA-N 0 0 336.416 4.573 50 0 EJAARN O=C(CCCc1ccccc1)N(Cc1ccc2cc[nH]c2c1)C1CC1 ZINC000032090374 564160654 /nfs/dbraw/zinc/16/06/54/564160654.db2.gz SURJDRYVGNGQBM-UHFFFAOYSA-N 0 0 332.447 4.682 50 0 EJAARN CCc1c(C)sc2nc(Cl)n3nc(-c4ccccc4)nc3c12 ZINC000032092695 564160657 /nfs/dbraw/zinc/16/06/57/564160657.db2.gz QKHAQMYWBAJHEM-UHFFFAOYSA-N 0 0 328.828 4.530 50 0 EJAARN CC(=O)N(CC[C@@H](c1ccco1)C(C)(C)C)[C@@H]1CCOC(C)(C)C1 ZINC000032096875 564160773 /nfs/dbraw/zinc/16/07/73/564160773.db2.gz XMLBGUYFJDHQGR-SJORKVTESA-N 0 0 335.488 4.606 50 0 EJAARN COc1ccc2[nH]c(SCc3coc(-c4cccs4)n3)nc2c1 ZINC000004252295 564161260 /nfs/dbraw/zinc/16/12/60/564161260.db2.gz NRTVOOAKQXWSKF-UHFFFAOYSA-N 0 0 343.433 4.580 50 0 EJAARN O=C(C[C@@]1(c2ccccc2)C=C(c2ccccc2)NO1)c1ccccc1 ZINC000059500519 564161414 /nfs/dbraw/zinc/16/14/14/564161414.db2.gz UCSBPQGLBXAGQN-HSZRJFAPSA-N 0 0 341.410 4.731 50 0 EJAARN CC[C@@H](O)c1nc2ccccc2n1CCCCOc1ccc(C)cc1 ZINC000004317856 564161679 /nfs/dbraw/zinc/16/16/79/564161679.db2.gz BIIGLWKPJJRQJY-HXUWFJFHSA-N 0 0 338.451 4.647 50 0 EJAARN Fc1ccc(-c2cc3ncnc(N4CCCCCC4)c3s2)cc1 ZINC000007986368 564161823 /nfs/dbraw/zinc/16/18/23/564161823.db2.gz FGSADGCARSAKFK-UHFFFAOYSA-N 0 0 327.428 4.878 50 0 EJAARN COC(=O)c1c(-c2cccs2)csc1NC(=O)c1ccccc1 ZINC000007996261 564162083 /nfs/dbraw/zinc/16/20/83/564162083.db2.gz FPSSIKPOSAGQQD-UHFFFAOYSA-N 0 0 343.429 4.516 50 0 EJAARN COc1ccc2oc(C(=O)Nc3ccc4ccccc4n3)c(C)c2c1 ZINC000008024719 564162226 /nfs/dbraw/zinc/16/22/26/564162226.db2.gz SGWLPERHKVWGFH-UHFFFAOYSA-N 0 0 332.359 4.550 50 0 EJAARN O=C(c1cc(C2CC2)nc2ccccc21)N1CC[C@H]2CCCC[C@H]2C1 ZINC000008095391 564162651 /nfs/dbraw/zinc/16/26/51/564162651.db2.gz DPSAIWDJHIMADS-WBVHZDCISA-N 0 0 334.463 4.765 50 0 EJAARN Cc1ccccc1C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008104814 564162702 /nfs/dbraw/zinc/16/27/02/564162702.db2.gz QBTUVRBLPUQDTA-HNNXBMFYSA-N 0 0 336.460 4.625 50 0 EJAARN Cc1ccc(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1 ZINC000008115138 564162767 /nfs/dbraw/zinc/16/27/67/564162767.db2.gz RRSYOAHBCNESJU-HXUWFJFHSA-N 0 0 333.456 4.844 50 0 EJAARN COc1ccc2cc([C@H](C)C(=O)NC3CCCCCC3)ccc2c1 ZINC000008133555 564163065 /nfs/dbraw/zinc/16/30/65/564163065.db2.gz XHQNDRIMOBHPIT-HNNXBMFYSA-N 0 0 325.452 4.791 50 0 EJAARN Cc1sc2ncnc(Nc3cc(Cl)c(N)c(Cl)c3)c2c1C ZINC000008198164 564163509 /nfs/dbraw/zinc/16/35/09/564163509.db2.gz KPIZFOAOWZWEIA-UHFFFAOYSA-N 0 0 339.251 4.941 50 0 EJAARN CN(Cc1ccc(Cl)cc1Cl)C(=O)Cc1c[nH]c2ccccc12 ZINC000008293334 564164079 /nfs/dbraw/zinc/16/40/79/564164079.db2.gz FEQRLWPUDOWABW-UHFFFAOYSA-N 0 0 347.245 4.676 50 0 EJAARN O=C1CCCN1c1ccc(-c2csc(-c3cccs3)n2)cc1 ZINC000008297161 564164083 /nfs/dbraw/zinc/16/40/83/564164083.db2.gz ZXMOWPORJBSOBX-UHFFFAOYSA-N 0 0 326.446 4.665 50 0 EJAARN CC(C)COc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1 ZINC000008315804 564164260 /nfs/dbraw/zinc/16/42/60/564164260.db2.gz JNZIJFRWXYEYPN-GOSISDBHSA-N 0 0 341.476 4.688 50 0 EJAARN CC(C)c1ccccc1NC(=O)CN1CCC[C@@H]1c1cccs1 ZINC000008320491 564164271 /nfs/dbraw/zinc/16/42/71/564164271.db2.gz AGKLKHFSLZBCFF-QGZVFWFLSA-N 0 0 328.481 4.647 50 0 EJAARN O=C(c1ccc(F)cc1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000008324346 564164412 /nfs/dbraw/zinc/16/44/12/564164412.db2.gz DVINBWAAILIEBH-IBGZPJMESA-N 0 0 337.419 4.675 50 0 EJAARN Cc1c2ccccc2oc1C(=O)CSc1nc2cc(C)ccc2[nH]1 ZINC000008345747 564164677 /nfs/dbraw/zinc/16/46/77/564164677.db2.gz OPPQDNPTGDUJBZ-UHFFFAOYSA-N 0 0 336.416 4.901 50 0 EJAARN O=C(CCSc1ccc(F)cc1)N[C@H]1CCSc2ccccc21 ZINC000008394661 564165066 /nfs/dbraw/zinc/16/50/66/564165066.db2.gz ZFDXTCNWSBZTSB-INIZCTEOSA-N 0 0 347.480 4.661 50 0 EJAARN Cc1ccccc1NC(=O)c1cccc(OCc2ccc(F)cc2)c1 ZINC000008395215 564165089 /nfs/dbraw/zinc/16/50/89/564165089.db2.gz KIVKFAMRIRCFAK-UHFFFAOYSA-N 0 0 335.378 4.965 50 0 EJAARN O=C(COc1ccc2ccccc2c1)N[C@H]1CCSc2ccccc21 ZINC000008402120 564165133 /nfs/dbraw/zinc/16/51/33/564165133.db2.gz ZXQWFDUEBHWQTI-IBGZPJMESA-N 0 0 349.455 4.572 50 0 EJAARN Cc1cccc(N(CC(=O)c2ccc(Cl)cc2)C2=NCCCC2)c1 ZINC000008414534 564165208 /nfs/dbraw/zinc/16/52/08/564165208.db2.gz SVGYARIWIKGHSN-UHFFFAOYSA-N 0 0 340.854 4.920 50 0 EJAARN C[C@@H](Sc1nncn1-c1cccc(Cl)c1)c1ccc(F)cc1 ZINC000008427799 564165220 /nfs/dbraw/zinc/16/52/20/564165220.db2.gz WHLLFTRPSKNYTQ-LLVKDONJSA-N 0 0 333.819 4.913 50 0 EJAARN CCCCCn1c(=O)c2sccc2nc1SCc1ccccc1 ZINC000067259647 564165411 /nfs/dbraw/zinc/16/54/11/564165411.db2.gz GYZGOMFRQKCRKE-UHFFFAOYSA-N 0 0 344.505 4.941 50 0 EJAARN Cc1ccc(-n2ncc3c2ncnc3NCCC2=CCCCC2)cc1C ZINC000008583071 564165819 /nfs/dbraw/zinc/16/58/19/564165819.db2.gz TYVIPIDQDKTPEB-UHFFFAOYSA-N 0 0 347.466 4.735 50 0 EJAARN Cc1ccc(NC(=O)N2C[C@@H]3CCCN3c3ccccc32)cc1Cl ZINC000008602749 564166028 /nfs/dbraw/zinc/16/60/28/564166028.db2.gz HXFSMQJOSKZKMB-HNNXBMFYSA-N 0 0 341.842 4.669 50 0 EJAARN C[C@H](NC(=O)c1sc2ncccc2c1-n1cccc1)c1ccccc1 ZINC000008610689 564166043 /nfs/dbraw/zinc/16/60/43/564166043.db2.gz TWQGRZGVDKDURX-AWEZNQCLSA-N 0 0 347.443 4.578 50 0 EJAARN Cc1cc(Nc2cccc(O)c2)c2cc(Br)ccc2n1 ZINC000008656947 564166206 /nfs/dbraw/zinc/16/62/06/564166206.db2.gz HKGKQKOXZLPQBP-UHFFFAOYSA-N 0 0 329.197 4.755 50 0 EJAARN O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1cccc(Cl)c1 ZINC000008706012 564166459 /nfs/dbraw/zinc/16/64/59/564166459.db2.gz IJWABXUFSCSTBZ-UHFFFAOYSA-N 0 0 344.773 4.705 50 0 EJAARN Cc1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1C ZINC000008707573 564166538 /nfs/dbraw/zinc/16/65/38/564166538.db2.gz ITAGMWGVBGRHHT-UHFFFAOYSA-N 0 0 338.382 4.669 50 0 EJAARN C[C@@H](c1ccccc1)N1C(=O)c2ccccc2N[C@H]1c1cccc(O)c1 ZINC000008719563 564166913 /nfs/dbraw/zinc/16/69/13/564166913.db2.gz OUIGPQRSUZBJQS-YCRPNKLZSA-N 0 0 344.414 4.720 50 0 EJAARN Cc1cc(C)nc(SCc2ccccc2C(=O)Nc2ccccc2)n1 ZINC000008724721 564166992 /nfs/dbraw/zinc/16/69/92/564166992.db2.gz CZJUPLQCNXKJJJ-UHFFFAOYSA-N 0 0 349.459 4.638 50 0 EJAARN CC(=O)Nc1ccc(Sc2ccnc3cc(Cl)ccc32)cc1 ZINC000008728132 564167044 /nfs/dbraw/zinc/16/70/44/564167044.db2.gz IAKFMKJNQFGSNT-UHFFFAOYSA-N 0 0 328.824 4.998 50 0 EJAARN Cc1ccc(C)c(NC(=O)CCc2ncc(-c3ccccc3F)o2)c1 ZINC000008750305 564167265 /nfs/dbraw/zinc/16/72/65/564167265.db2.gz DCYTWMUYQRWJGG-UHFFFAOYSA-N 0 0 338.382 4.669 50 0 EJAARN O=C(Nc1ccccc1-c1nc2ccccc2s1)C1=COCCC1 ZINC000068317279 564167585 /nfs/dbraw/zinc/16/75/85/564167585.db2.gz ANANKOGDKFNSHD-UHFFFAOYSA-N 0 0 336.416 4.596 50 0 EJAARN Cc1cccc(CSCC(=O)N[C@H](C)c2cc3ccccc3o2)c1 ZINC000039980642 564167762 /nfs/dbraw/zinc/16/77/62/564167762.db2.gz PWJSUTQJXQAFHA-OAHLLOKOSA-N 0 0 339.460 4.852 50 0 EJAARN C[C@H](c1nc(-c2cccs2)no1)N(C)Cc1cccc(Cl)c1 ZINC000040071608 564167887 /nfs/dbraw/zinc/16/78/87/564167887.db2.gz NVNOAXPSKWLAJG-LLVKDONJSA-N 0 0 333.844 4.645 50 0 EJAARN CCOc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C(C)C)cc1 ZINC000040068040 564167891 /nfs/dbraw/zinc/16/78/91/564167891.db2.gz LDQUYVUELBCYCH-UHFFFAOYSA-N 0 0 349.434 4.647 50 0 EJAARN O=C(Cc1cccc2ccccc21)Nc1ccc(OC(F)F)cc1 ZINC000008941901 564168129 /nfs/dbraw/zinc/16/81/29/564168129.db2.gz NIGZCATZAJIJSN-UHFFFAOYSA-N 0 0 327.330 4.622 50 0 EJAARN O=C(Nc1ccc(NCc2ccccn2)cc1)c1ccc(Cl)s1 ZINC000069424762 564169422 /nfs/dbraw/zinc/16/94/22/564169422.db2.gz HCNODCAJSMPMPJ-UHFFFAOYSA-N 0 0 343.839 4.661 50 0 EJAARN Cc1ccc(C(=O)N(C(=O)N2CCCCC2)c2ccccc2)cc1C ZINC000009317724 564172583 /nfs/dbraw/zinc/17/25/83/564172583.db2.gz YAYVFLFWFIMCRU-UHFFFAOYSA-N 0 0 336.435 4.556 50 0 EJAARN Cc1nc(C(=O)N(c2cccc3cccnc32)C2CCCC2)cs1 ZINC000069892863 564172662 /nfs/dbraw/zinc/17/26/62/564172662.db2.gz XTNJOTXMQLDFJK-UHFFFAOYSA-N 0 0 337.448 4.589 50 0 EJAARN Cc1ccc2c(c1)CCCN2[C@H](C)c1nnc(-c2cccs2)o1 ZINC000009377711 564173206 /nfs/dbraw/zinc/17/32/06/564173206.db2.gz CXYJGWTVSQUDDA-CYBMUJFWSA-N 0 0 325.437 4.620 50 0 EJAARN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(C)c3ncccc23)cc1C ZINC000041157012 564173625 /nfs/dbraw/zinc/17/36/25/564173625.db2.gz UFUPHJYGUOSOIA-MRXNPFEDSA-N 0 0 334.419 4.566 50 0 EJAARN CC(C)c1ccc(C(=O)NCc2cccc(Br)c2)cc1 ZINC000070140588 564173655 /nfs/dbraw/zinc/17/36/55/564173655.db2.gz GRELJVBQUHXJAV-UHFFFAOYSA-N 0 0 332.241 4.503 50 0 EJAARN O=C(Nc1nc(-c2ccccc2)cs1)c1cc2c(s1)CCC2 ZINC000009499244 564173908 /nfs/dbraw/zinc/17/39/08/564173908.db2.gz FQSNEMZEKWKNRH-UHFFFAOYSA-N 0 0 326.446 4.613 50 0 EJAARN CCc1cccc(NC(=O)c2ncoc2-c2cccc(Cl)c2)c1 ZINC000009527387 564174036 /nfs/dbraw/zinc/17/40/36/564174036.db2.gz ORMXBXIVFUMJRZ-UHFFFAOYSA-N 0 0 326.783 4.810 50 0 EJAARN Cc1cc(Cl)ccc1OCc1nnc(-c2ccc(Cl)cc2)[nH]1 ZINC000009871262 564174728 /nfs/dbraw/zinc/17/47/28/564174728.db2.gz MNSZAFQFKQHHFZ-UHFFFAOYSA-N 0 0 334.206 4.666 50 0 EJAARN CCc1ccccc1Nc1nc(C)c(C(=O)NC2CCCCC2)s1 ZINC000071326527 564174927 /nfs/dbraw/zinc/17/49/27/564174927.db2.gz GYVCXHLYYSLJBV-UHFFFAOYSA-N 0 0 343.496 4.820 50 0 EJAARN Cc1nc(NC2CCCCC2)sc1C(=O)N[C@@H](C)c1ccccc1 ZINC000071326703 564174936 /nfs/dbraw/zinc/17/49/36/564174936.db2.gz XRLYRXFGDMGZAY-ZDUSSCGKSA-N 0 0 343.496 4.687 50 0 EJAARN O=C(NCC1(c2ccccc2)CCC1)c1cc(Cl)ccc1Cl ZINC000010221323 564175142 /nfs/dbraw/zinc/17/51/42/564175142.db2.gz WDIYXDBUJLXYSI-UHFFFAOYSA-N 0 0 334.246 4.845 50 0 EJAARN CCOc1ccc(C(=O)c2cnc3ccc(OC)cc3c2Cl)cc1 ZINC000071775362 564175291 /nfs/dbraw/zinc/17/52/91/564175291.db2.gz RLWURELGVSPWDI-UHFFFAOYSA-N 0 0 341.794 4.527 50 0 EJAARN COc1cccc([C@@H]2CCCN2C(=O)Nc2ccc3[nH]ccc3c2)c1 ZINC000071803343 564175525 /nfs/dbraw/zinc/17/55/25/564175525.db2.gz DTSLPTSTZRJSHT-IBGZPJMESA-N 0 0 335.407 4.546 50 0 EJAARN O=C(CCCSc1ccc(C(F)(F)F)cn1)c1ccc(F)cc1 ZINC000071843556 564175874 /nfs/dbraw/zinc/17/58/74/564175874.db2.gz MMPGFDFRKKLXGJ-UHFFFAOYSA-N 0 0 343.345 4.995 50 0 EJAARN CC[C@H](C(=O)NCC[C@H](O)c1cccc2ccccc21)c1ccccc1 ZINC000077116618 564176600 /nfs/dbraw/zinc/17/66/00/564176600.db2.gz YJWRDUPEYXBPPB-UGKGYDQZSA-N 0 0 347.458 4.573 50 0 EJAARN C[C@H](c1ccc(Cl)cc1)S(=O)(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC000077647160 564176789 /nfs/dbraw/zinc/17/67/89/564176789.db2.gz IQUCZNQNJVLTMM-GHMZBOCLSA-N 0 0 344.810 4.855 50 0 EJAARN Cc1cc(C)c(NC(=O)c2csc(-c3cccs3)n2)c(Cl)n1 ZINC000078000718 564176888 /nfs/dbraw/zinc/17/68/88/564176888.db2.gz UEHISCOGCZYZKG-UHFFFAOYSA-N 0 0 349.868 4.789 50 0 EJAARN CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@](C)(O)[C@@H](O)CO ZINC000209935059 564177322 /nfs/dbraw/zinc/17/73/22/564177322.db2.gz CGIHFIDULQUVJG-MUGJNUQGSA-N 0 0 330.553 4.530 50 0 in-vitro EJAARN CCCCOc1c(/C=C2/N(C)c3ccccc3C2(C)C)c(=O)c1=S ZINC000169604751 564177419 /nfs/dbraw/zinc/17/74/19/564177419.db2.gz RDPKZBAZCGGPND-FOWTUZBSSA-N 0 0 341.476 4.599 50 0 EJAARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@H]3CC[C@H]2C1 ZINC000004175401 568415106 /nfs/dbraw/zinc/41/51/06/568415106.db2.gz FDCINQSOYQUNKB-OQMPNEJESA-N 0 0 332.484 4.530 50 0 biogenic EJAARN CCCN(C(=O)OC(C)(C)C)c1ccc(Br)c(F)c1 ZINC000261494048 568419350 /nfs/dbraw/zinc/41/93/50/568419350.db2.gz OOORRNJXBBUCHP-UHFFFAOYSA-N 0 0 332.213 4.740 50 0 EJAARN CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000017004009 568423349 /nfs/dbraw/zinc/42/33/49/568423349.db2.gz XXSFRYVGIQYVIQ-HAAPBCEXSA-N 0 0 330.512 4.761 50 0 EJAARN Cc1ccccc1NC(=O)CN(Cc1ccccc1)Cc1ccccc1 ZINC000004745039 210267689 /nfs/dbraw/zinc/26/76/89/210267689.db2.gz BJXYHPAJGUMTTH-UHFFFAOYSA-N 0 0 344.458 4.636 50 0 EJAARN Cc1cccc(NCc2cccc(OCC(=O)Nc3ccccc3)c2)c1 ZINC000004741050 210266323 /nfs/dbraw/zinc/26/63/23/210266323.db2.gz FUHQCMVIKIKOPT-UHFFFAOYSA-N 0 0 346.430 4.625 50 0 EJAARN CC(C)(C)c1ccc(C(=O)CSc2nnc(-c3ccco3)o2)cc1 ZINC000004740811 210266204 /nfs/dbraw/zinc/26/62/04/210266204.db2.gz CXKLSBJFPXWJPZ-UHFFFAOYSA-N 0 0 342.420 4.602 50 0 EJAARN Cc1ncsc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000051329700 214089059 /nfs/dbraw/zinc/08/90/59/214089059.db2.gz DTWUYRHBYJFWGS-PXNSSMCTSA-N 0 0 347.443 4.694 50 0 EJAARN COc1cccc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)c1 ZINC000006804814 201699101 /nfs/dbraw/zinc/69/91/01/201699101.db2.gz IRAJIPQWQGRODY-UHFFFAOYSA-N 0 0 337.400 4.568 50 0 EJAARN c1ccc(C[C@@H](NCc2nc3ccccc3o2)c2ccccc2)cc1 ZINC000052661530 214139173 /nfs/dbraw/zinc/13/91/73/214139173.db2.gz BYRRTVKAIKZFOE-HXUWFJFHSA-N 0 0 328.415 4.901 50 0 EJAARN CCc1ccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1 ZINC000004723335 210259103 /nfs/dbraw/zinc/25/91/03/210259103.db2.gz MPIKLFFYHIWWSV-UHFFFAOYSA-N 0 0 343.386 4.705 50 0 EJAARN Cc1cc(C(=O)CSc2nc3cc(C)ccc3[nH]2)c(C)n1C1CC1 ZINC000006908901 201705073 /nfs/dbraw/zinc/70/50/73/201705073.db2.gz LYRIYYFZPSWKIF-UHFFFAOYSA-N 0 0 339.464 4.600 50 0 EJAARN CN(C)c1ccc(SCOCSc2ccc(N(C)C)cc2)cc1 ZINC000004718289 210257394 /nfs/dbraw/zinc/25/73/94/210257394.db2.gz YOGWKASPFMHQRU-UHFFFAOYSA-N 0 0 348.537 4.635 50 0 EJAARN c1cc2ncnc(SCCCc3nc4ccccc4o3)c2s1 ZINC000054203581 214225056 /nfs/dbraw/zinc/22/50/56/214225056.db2.gz UJZHBVPYHMHBDD-UHFFFAOYSA-N 0 0 327.434 4.557 50 0 EJAARN COc1cccc(OC)c1OCCCOc1cccc(C(C)C)c1 ZINC000004702008 210253024 /nfs/dbraw/zinc/25/30/24/210253024.db2.gz RAPCMSZQWSZZAR-UHFFFAOYSA-N 0 0 330.424 4.675 50 0 EJAARN O=C(c1cc2cc(Oc3ccccc3)ccc2[nH]1)N1CCCCCC1 ZINC000004700653 210251614 /nfs/dbraw/zinc/25/16/14/210251614.db2.gz LQCQKQXYBDMXMO-UHFFFAOYSA-N 0 0 334.419 4.976 50 0 EJAARN Cc1ccccc1C1=N/C(=C\c2ccc(Cl)cc2Cl)C(=O)O1 ZINC000004696550 210250044 /nfs/dbraw/zinc/25/00/44/210250044.db2.gz AVWRPZMWRFGDQS-NVNXTCNLSA-N 0 0 332.186 4.646 50 0 EJAARN COC(=O)c1ccc(-c2cccc(OCc3ccccc3)c2)cc1F ZINC000097756974 219054819 /nfs/dbraw/zinc/05/48/19/219054819.db2.gz CUTMEXRYXDTFEY-UHFFFAOYSA-N 0 0 336.362 4.858 50 0 EJAARN COC(=O)c1cc(-c2ccc(SC)cc2)cc(C(F)(F)F)c1 ZINC000097757090 219054942 /nfs/dbraw/zinc/05/49/42/219054942.db2.gz GETLQLLTNXIGQL-UHFFFAOYSA-N 0 0 326.339 4.881 50 0 EJAARN C[C@@H](c1ccncn1)N(C)Cc1ccc(-c2ccc(Cl)cc2F)o1 ZINC000055284547 214301835 /nfs/dbraw/zinc/30/18/35/214301835.db2.gz YMWVZEJSFVKDRI-LBPRGKRZSA-N 0 0 345.805 4.722 50 0 EJAARN O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1cccc(Cl)c1 ZINC000004688531 210247328 /nfs/dbraw/zinc/24/73/28/210247328.db2.gz NQPOTUGEBCWUDT-UHFFFAOYSA-N 0 0 335.234 4.846 50 0 EJAARN Cc1ccc(N(C)C(=O)c2cc(C3CC3)nn2-c2ccccc2)c(C)c1 ZINC000055850826 214343771 /nfs/dbraw/zinc/34/37/71/214343771.db2.gz DQRFPHCLHXPYPJ-UHFFFAOYSA-N 0 0 345.446 4.643 50 0 EJAARN Cc1nc2ccccc2c(SCCOc2ccc(Cl)cc2)n1 ZINC000004679495 210244450 /nfs/dbraw/zinc/24/44/50/210244450.db2.gz WGUIWWHMDHFDOQ-UHFFFAOYSA-N 0 0 330.840 4.763 50 0 EJAARN CC[C@@H]1c2ccsc2CCN1C(=O)N[C@@H](C)c1sc(C)nc1C ZINC000057283388 214415580 /nfs/dbraw/zinc/41/55/80/214415580.db2.gz AJVODLBMPZSRSZ-SMDDNHRTSA-N 0 0 349.525 4.601 50 0 EJAARN Cc1cc(=O)oc2cc(NC(=O)CCc3ccc(C(C)C)cc3)ccc12 ZINC000049967604 214038137 /nfs/dbraw/zinc/03/81/37/214038137.db2.gz HNILRNNOYDOGIY-UHFFFAOYSA-N 0 0 349.430 4.796 50 0 EJAARN O=C(Nc1cccc(Cl)c1)c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC000057412586 214426122 /nfs/dbraw/zinc/42/61/22/214426122.db2.gz CZFAWAMUVSSLJU-UHFFFAOYSA-N 0 0 332.190 4.636 50 0 EJAARN CCc1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)c1 ZINC000057412466 214426486 /nfs/dbraw/zinc/42/64/86/214426486.db2.gz DDPZGTQHENDXFV-UHFFFAOYSA-N 0 0 325.799 4.545 50 0 EJAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000004673534 210242897 /nfs/dbraw/zinc/24/28/97/210242897.db2.gz VFOHHJUJVGOCTD-OAHLLOKOSA-N 0 0 337.394 4.837 50 0 EJAARN Cc1ccc(OCC(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000004666650 210242022 /nfs/dbraw/zinc/24/20/22/210242022.db2.gz BOQJRKKILMZEQQ-UHFFFAOYSA-N 0 0 333.387 4.805 50 0 EJAARN O=C(Nc1cccc2ccccc21)N(Cc1ccc(O)cc1)CC1CC1 ZINC000058282744 214528269 /nfs/dbraw/zinc/52/82/69/214528269.db2.gz UAXPETIOWDLWSI-UHFFFAOYSA-N 0 0 346.430 4.990 50 0 EJAARN Cc1cc(-c2noc(/C=C/c3ccc(F)cc3)n2)c2ccccc2n1 ZINC000004628935 210235578 /nfs/dbraw/zinc/23/55/78/210235578.db2.gz XDKVPHJCNKRGDT-DHZHZOJOSA-N 0 0 331.350 4.903 50 0 EJAARN Cc1[nH]c2ccc(C(=O)N(Cc3ccco3)C3CCCC3)cc2c1C ZINC000058354728 214559015 /nfs/dbraw/zinc/55/90/15/214559015.db2.gz WLSNFTNOKXOBMQ-UHFFFAOYSA-N 0 0 336.435 4.963 50 0 EJAARN Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000058415550 214578925 /nfs/dbraw/zinc/57/89/25/214578925.db2.gz WDQDDEVDUIURNA-AWEZNQCLSA-N 0 0 348.450 4.523 50 0 EJAARN CC[C@@H](C(=O)Nc1cccc2[nH]c(C(F)(F)F)nc21)c1ccccc1 ZINC000004625525 210233229 /nfs/dbraw/zinc/23/32/29/210233229.db2.gz NPWKGIXCHLAERJ-GFCCVEGCSA-N 0 0 347.340 4.714 50 0 EJAARN CCn1c2ccccc2nc1[C@](O)(c1ccccc1)c1ccc(C)cc1 ZINC000004608209 210231060 /nfs/dbraw/zinc/23/10/60/210231060.db2.gz XZVPEFKOEJTHHP-QHCPKHFHSA-N 0 0 342.442 4.649 50 0 EJAARN O=C(Cc1ccc2ccccc2c1)N[C@H](c1ccccc1)C(F)(F)F ZINC000059301711 214616244 /nfs/dbraw/zinc/61/62/44/214616244.db2.gz HGLXKXBYVCWSOC-LJQANCHMSA-N 0 0 343.348 4.802 50 0 EJAARN C/C=C/c1cc2c(c(OC)c1)O[C@H](c1ccc(O)c(OC)c1)[C@@H]2C ZINC000049600032 214021325 /nfs/dbraw/zinc/02/13/25/214021325.db2.gz ITDOFWOJEDZPCF-SZJIHULOSA-N 0 0 326.392 4.680 50 0 biogenic,in-vitro EJAARN Cc1ccccc1Nc1c(-c2ccc(N(C)C)cc2)nc2cnccn21 ZINC000004597384 210229239 /nfs/dbraw/zinc/22/92/39/210229239.db2.gz FNHANLKDKRZJDG-UHFFFAOYSA-N 0 0 343.434 4.514 50 0 EJAARN O=C1OC(/C=C/c2cccc(Cl)c2Cl)=N/C1=C\c1ccco1 ZINC000004590276 210228586 /nfs/dbraw/zinc/22/85/86/210228586.db2.gz WBYSCKDKGHAQTJ-PXBDENQTSA-N 0 0 334.158 4.596 50 0 EJAARN COc1cccc2cc(-c3cc(=O)oc4cc(C)c(OC)cc43)oc21 ZINC000004586217 210228295 /nfs/dbraw/zinc/22/82/95/210228295.db2.gz VRGGWPBRGOMMMK-UHFFFAOYSA-N 0 0 336.343 4.532 50 0 biogenic EJAARN NC(=O)c1cccc(-c2cc(Cl)ccc2Cl)c1C(F)(F)F ZINC000098071592 219077401 /nfs/dbraw/zinc/07/74/01/219077401.db2.gz DOFYVDPPSSUXQV-UHFFFAOYSA-N 0 0 334.124 4.778 50 0 EJAARN O=C1C[C@H](c2cccs2)c2cnn(Cc3ccccc3Cl)c2N1 ZINC000049549972 214017375 /nfs/dbraw/zinc/01/73/75/214017375.db2.gz QZPXQKNMBSKHKJ-LBPRGKRZSA-N 0 0 343.839 4.770 50 0 EJAARN CC(C)(C)C[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2)n1 ZINC000060239535 214630409 /nfs/dbraw/zinc/63/04/09/214630409.db2.gz AMGHRYIENPFSJG-HNNXBMFYSA-N 0 0 328.481 4.851 50 0 EJAARN CC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 ZINC000004579163 210224831 /nfs/dbraw/zinc/22/48/31/210224831.db2.gz AJAHXBHUQRMZKI-OWXZVYGXSA-N 0 0 330.431 4.830 50 0 EJAARN S=c1oc(-c2ccccc2)nn1CN1CCC[C@H]1c1cccs1 ZINC000007143393 201712877 /nfs/dbraw/zinc/71/28/77/201712877.db2.gz KQJUQPXPORJHCR-AWEZNQCLSA-N 0 0 343.477 4.729 50 0 EJAARN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N[C@@H]1CCc2ccccc21 ZINC000061608931 214667870 /nfs/dbraw/zinc/66/78/70/214667870.db2.gz ZEOJTQRXOLIDOR-MSOLQXFVSA-N 0 0 338.451 4.588 50 0 EJAARN Cc1cccc(C2=N/C(=C\c3c(Cl)cccc3Cl)C(=O)O2)c1 ZINC000004534859 210215535 /nfs/dbraw/zinc/21/55/35/210215535.db2.gz SMGFPVNCLAXNPS-DHDCSXOGSA-N 0 0 332.186 4.646 50 0 EJAARN Cc1nnc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)o1 ZINC000004516573 210211826 /nfs/dbraw/zinc/21/18/26/210211826.db2.gz FTGDHXVSPJFJNI-UHFFFAOYSA-N 0 0 349.415 4.992 50 0 EJAARN Cc1cccc2sc(NC(=O)CCSc3ccc(F)cc3)nc21 ZINC000004496814 210203709 /nfs/dbraw/zinc/20/37/09/210203709.db2.gz CYNFHSTVSGDBED-UHFFFAOYSA-N 0 0 346.452 4.865 50 0 EJAARN Cc1nc2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2s1 ZINC000004496553 210203592 /nfs/dbraw/zinc/20/35/92/210203592.db2.gz PZGQXYBSHFKYFE-UHFFFAOYSA-N 0 0 348.880 4.989 50 0 EJAARN COc1cccc([C@H]2CC(=O)Nc3c(C)c(C)ccc32)c1OC(C)C ZINC000004488803 210202168 /nfs/dbraw/zinc/20/21/68/210202168.db2.gz JZYMJWHCXFDLQM-KRWDZBQOSA-N 0 0 339.435 4.573 50 0 EJAARN Cc1nc2ccccc2n1CC(=O)O[C@@H](C)c1cccc2ccccc21 ZINC000063975307 214776786 /nfs/dbraw/zinc/77/67/86/214776786.db2.gz YCQHZSPXTOOIQC-HNNXBMFYSA-N 0 0 344.414 4.802 50 0 EJAARN CCc1ccccc1NC(=O)c1nnn(-c2ccc(C(C)C)cc2)c1C ZINC000004483307 210199546 /nfs/dbraw/zinc/19/95/46/210199546.db2.gz MLUJEDLJSMHVDZ-UHFFFAOYSA-N 0 0 348.450 4.514 50 0 EJAARN COc1ccc(-c2noc(/C=C/c3ccccc3Cl)n2)cc1OC ZINC000004476250 210197368 /nfs/dbraw/zinc/19/73/68/210197368.db2.gz IHRBRVHREYJFGX-CSKARUKUSA-N 0 0 342.782 4.578 50 0 EJAARN Clc1cccc(Cl)c1[C@@H]1CC(c2ccccc2)=Nc2ncnn21 ZINC000100679002 219104064 /nfs/dbraw/zinc/10/40/64/219104064.db2.gz YZAILTKJPAHYBO-HNNXBMFYSA-N 0 0 343.217 4.641 50 0 EJAARN Cc1ccc2nc(C(=O)N3CCCCC3)cc(Nc3ccccc3)c2c1 ZINC000064568370 214793712 /nfs/dbraw/zinc/79/37/12/214793712.db2.gz GYAPJHWLCHPSMQ-UHFFFAOYSA-N 0 0 345.446 4.913 50 0 EJAARN CCOC(=O)c1cnc(-c2cccs2)nc1Sc1ccccc1 ZINC000004394703 210187832 /nfs/dbraw/zinc/18/78/32/210187832.db2.gz NBHVELTVXQSQGQ-UHFFFAOYSA-N 0 0 342.445 4.533 50 0 EJAARN CCOc1ccccc1NC(=O)c1csc(-c2ccc(C)s2)n1 ZINC000064676501 214800072 /nfs/dbraw/zinc/80/00/72/214800072.db2.gz QNGSNFUTKXHPIF-UHFFFAOYSA-N 0 0 344.461 4.831 50 0 EJAARN Cc1ccc(-c2nc(C(=O)N3c4ccccc4C[C@H]3C)cs2)s1 ZINC000064676513 214800134 /nfs/dbraw/zinc/80/01/34/214800134.db2.gz VLFAXTBFBIJQKW-LLVKDONJSA-N 0 0 340.473 4.771 50 0 EJAARN COc1ccc(-c2nc(-c3cccc(-c4csc(C)n4)c3)no2)cc1 ZINC000064676982 214800327 /nfs/dbraw/zinc/80/03/27/214800327.db2.gz ORPWQQJSJRWKDT-UHFFFAOYSA-N 0 0 349.415 4.844 50 0 EJAARN Cc1nc(CSc2nc(C)nc3sc4c(c32)CCCC4)cs1 ZINC000004387890 210185948 /nfs/dbraw/zinc/18/59/48/210185948.db2.gz QHQBJUAAQPHHLK-UHFFFAOYSA-N 0 0 347.534 4.936 50 0 EJAARN CCc1ccc(C2=Nc3ncnn3[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000100968145 219112862 /nfs/dbraw/zinc/11/28/62/219112862.db2.gz KQJDXNNAZOPPQF-SFHVURJKSA-N 0 0 336.826 4.550 50 0 EJAARN CCc1ccc(CNC(=O)c2sc3cccc(F)c3c2OC)cc1 ZINC000064756392 214802205 /nfs/dbraw/zinc/80/22/05/214802205.db2.gz DHSGOVISAOOIAN-UHFFFAOYSA-N 0 0 343.423 4.541 50 0 EJAARN COc1cccc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)c1 ZINC000004369143 210181964 /nfs/dbraw/zinc/18/19/64/210181964.db2.gz SZDAJKDKUDEHOS-UHFFFAOYSA-N 0 0 344.823 4.724 50 0 EJAARN Fc1ccc(-c2csc(Cc3nc(-c4ccccc4)no3)n2)cc1 ZINC000048990130 213974986 /nfs/dbraw/zinc/97/49/86/213974986.db2.gz WFTNHDUVJMAWCG-UHFFFAOYSA-N 0 0 337.379 4.590 50 0 EJAARN O=C(/C=C/c1cscn1)Nc1cccc(C2SCCCS2)c1 ZINC000064897356 214813850 /nfs/dbraw/zinc/81/38/50/214813850.db2.gz PRXZHIPFCHQOSR-AATRIKPKSA-N 0 0 348.518 4.664 50 0 EJAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2cc(C(C)C)on2)cc1F ZINC000064984894 214820538 /nfs/dbraw/zinc/82/05/38/214820538.db2.gz LQUARWFDTRVGNP-INIZCTEOSA-N 0 0 331.391 4.615 50 0 EJAARN CCC(=O)Nc1c2ccccc2oc1C(=O)Nc1ccc(C)c(C)c1 ZINC000004353818 210176847 /nfs/dbraw/zinc/17/68/47/210176847.db2.gz FWJGUIVDOIQALO-UHFFFAOYSA-N 0 0 336.391 4.650 50 0 EJAARN Cc1c2cc(OC(=O)C(C)(C)C)ccc2oc(=O)c1-c1ccccc1 ZINC000004340711 210176202 /nfs/dbraw/zinc/17/62/02/210176202.db2.gz CSKXYRUWSBOOCU-UHFFFAOYSA-N 0 0 336.387 4.720 50 0 EJAARN CCc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C2CC2)cc1 ZINC000004341959 210175899 /nfs/dbraw/zinc/17/58/99/210175899.db2.gz NTAAAJIQHZHKEJ-UHFFFAOYSA-N 0 0 348.402 4.596 50 0 EJAARN CC(C)Cn1c(Cn2c3ccccc3c3ccccc32)n[nH]c1=S ZINC000004336318 210174075 /nfs/dbraw/zinc/17/40/75/210174075.db2.gz DGABRXZSMGQOCN-UHFFFAOYSA-N 0 0 336.464 4.753 50 0 EJAARN O=C(Cc1cccc2ccccc21)Nc1nc2c(cccc2F)s1 ZINC000004331595 210173337 /nfs/dbraw/zinc/17/33/37/210173337.db2.gz VHMYDVIKMZFOAR-UHFFFAOYSA-N 0 0 336.391 4.770 50 0 EJAARN CCOc1ccc(-c2nc(-c3ccc4oc(CC)nc4c3)no2)cc1 ZINC000065149744 214833248 /nfs/dbraw/zinc/83/32/48/214833248.db2.gz YANBPDFAHWXKGF-UHFFFAOYSA-N 0 0 335.363 4.506 50 0 EJAARN Cc1ccccc1CSc1nnc(NC(=O)C2CCCCC2)s1 ZINC000004328213 210171249 /nfs/dbraw/zinc/17/12/49/210171249.db2.gz LUCMOMCAKPFBCX-UHFFFAOYSA-N 0 0 347.509 4.658 50 0 EJAARN COc1ccc(OC)c(CCCCCc2cc(OC)ccc2OC)c1 ZINC000004321716 210170958 /nfs/dbraw/zinc/17/09/58/210170958.db2.gz XECKJGJFKWALMC-UHFFFAOYSA-N 0 0 344.451 4.677 50 0 EJAARN O=C(c1ccccc1)n1nccc1C(c1ccccc1)c1ccccc1 ZINC000004323428 210170735 /nfs/dbraw/zinc/17/07/35/210170735.db2.gz DPDWPDSLEWOIIS-UHFFFAOYSA-N 0 0 338.410 4.752 50 0 EJAARN O=C(Nc1ccsc1-c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000065218864 214845435 /nfs/dbraw/zinc/84/54/35/214845435.db2.gz BISPALUTYKNGDH-UHFFFAOYSA-N 0 0 347.399 4.717 50 0 EJAARN O=C(Nc1ccccc1Cl)c1cc(-c2cccc(F)c2)ns1 ZINC000065233054 214848926 /nfs/dbraw/zinc/84/89/26/214848926.db2.gz BKZBHHHLDJBKBG-UHFFFAOYSA-N 0 0 332.787 4.855 50 0 EJAARN O=C1c2ccccc2N[C@H](c2c(Cl)cccc2Cl)N1C1CC1 ZINC000007886104 201731930 /nfs/dbraw/zinc/73/19/30/201731930.db2.gz PVDPBPTVNVBYAP-INIZCTEOSA-N 0 0 333.218 4.722 50 0 EJAARN Cc1ccc(C)c(C(=O)Nc2nc3c(s2)COc2ccccc2-3)c1 ZINC000004301444 210163784 /nfs/dbraw/zinc/16/37/84/210163784.db2.gz HELTYWFCLJGHHV-UHFFFAOYSA-N 0 0 336.416 4.572 50 0 EJAARN COc1cc2c(cc1NC(=O)Cc1ccccc1)oc1ccccc12 ZINC000004289816 210162067 /nfs/dbraw/zinc/16/20/67/210162067.db2.gz BQSIPTKQTXNBIG-UHFFFAOYSA-N 0 0 331.371 4.776 50 0 EJAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(F)cc2)o1 ZINC000004282030 210160503 /nfs/dbraw/zinc/16/05/03/210160503.db2.gz 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/nfs/dbraw/zinc/15/15/57/210151557.db2.gz YQYLLBSWWRWWAY-UHFFFAOYSA-N 0 0 338.410 4.536 50 0 EJAARN COc1cc2c(cc1O)[C@@H](c1ccccc1-c1ccccc1)CC(=O)N2 ZINC000065423655 214904437 /nfs/dbraw/zinc/90/44/37/214904437.db2.gz OEGQZLJLVWBZAS-QGZVFWFLSA-N 0 0 345.398 4.542 50 0 EJAARN O=C(CSc1ccccn1)c1ccc([C@H]2CC2(Cl)Cl)cc1 ZINC000009146282 201768914 /nfs/dbraw/zinc/76/89/14/201768914.db2.gz MAPYXMJKLBFWNC-CYBMUJFWSA-N 0 0 338.259 4.718 50 0 EJAARN O=C(Nc1ccc2c(c1)C(=O)Nc1ccccc1O2)Oc1ccccc1 ZINC000009134768 201769541 /nfs/dbraw/zinc/76/95/41/201769541.db2.gz DARDQSNYSPPPKC-UHFFFAOYSA-N 0 0 346.342 4.656 50 0 EJAARN CC(C)CCNc1ncc2c(n1)C[C@H](c1ccccc1Cl)CC2=O ZINC000004182703 210141081 /nfs/dbraw/zinc/14/10/81/210141081.db2.gz QGIHBIDBIYMZLG-ZDUSSCGKSA-N 0 0 343.858 4.501 50 0 EJAARN CCc1ccccc1NC(=O)N1CCn2c(C)ccc2[C@H]1C(C)C ZINC000009528357 201781222 /nfs/dbraw/zinc/78/12/22/201781222.db2.gz QTWIEMQXOBRIEA-LJQANCHMSA-N 0 0 325.456 4.604 50 0 EJAARN O=C(Nc1nc2ccccc2s1)c1cc(Cl)sc1Cl 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C[C@H]1CC2(CCCCC2)Nc2ccc(I)cc21 ZINC000003999780 210096655 /nfs/dbraw/zinc/09/66/55/210096655.db2.gz GQAFJKXWYYVIJV-NSHDSACASA-N 0 0 341.236 4.913 50 0 biogenic EJAARN Cc1[nH]c2ccccc2c1[C@@H]1C(C)=C(C)C(=O)N1CCc1ccccc1 ZINC000013957622 201922003 /nfs/dbraw/zinc/92/20/03/201922003.db2.gz DNAOFSADNQUWNV-QFIPXVFZSA-N 0 0 344.458 4.939 50 0 EJAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)/C=C/c1ccsc1 ZINC000014084758 201924627 /nfs/dbraw/zinc/92/46/27/201924627.db2.gz NPOFPUIFZKMNMN-GUOLPTJISA-N 0 0 328.462 4.591 50 0 EJAARN O=C(Nc1c(-c2ccccc2)nc2ccccn21)c1c(F)cccc1F ZINC000003906478 210090153 /nfs/dbraw/zinc/09/01/53/210090153.db2.gz CRGTWLUQGXXSAG-UHFFFAOYSA-N 0 0 349.340 4.532 50 0 EJAARN Cc1nc(CSc2nnc3scc(-c4ccccc4)n23)cs1 ZINC000003905153 210090253 /nfs/dbraw/zinc/09/02/53/210090253.db2.gz FUSVFOTUHCYIIP-UHFFFAOYSA-N 0 0 344.490 4.515 50 0 EJAARN c1ccc(C(Cc2nc(-c3ccccn3)no2)c2ccccc2)cc1 ZINC000003906116 210089570 /nfs/dbraw/zinc/08/95/70/210089570.db2.gz WACXPWUMJWKXLJ-UHFFFAOYSA-N 0 0 327.387 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/nfs/dbraw/zinc/19/28/71/215192871.db2.gz BVQLNCMYIPRUGP-UHFFFAOYSA-N 0 0 326.465 4.960 50 0 EJAARN Cc1cccc(CSCCNC(=O)CCSc2ccccc2)c1 ZINC000002992145 209951548 /nfs/dbraw/zinc/95/15/48/209951548.db2.gz GQDLXWLACDHXOM-UHFFFAOYSA-N 0 0 345.533 4.527 50 0 EJAARN CCOc1cccc(OCCOc2ccc(Cl)cc2Cl)c1 ZINC000002985667 209951006 /nfs/dbraw/zinc/95/10/06/209951006.db2.gz IEBQWXAKZWGTOQ-UHFFFAOYSA-N 0 0 327.207 4.850 50 0 EJAARN Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)c1ccco1 ZINC000002972351 209948131 /nfs/dbraw/zinc/94/81/31/209948131.db2.gz MWOSQIVULBGUII-UHFFFAOYSA-N 0 0 335.388 4.512 50 0 EJAARN Cc1ccc(CN(Cc2nc3ccccc3[nH]2)Cc2ccncc2)s1 ZINC000067850840 215229894 /nfs/dbraw/zinc/22/98/94/215229894.db2.gz GIHCRDSMPSAGLH-UHFFFAOYSA-N 0 0 348.475 4.530 50 0 EJAARN O=Cc1ccc(OCCOc2cccc(C(F)(F)F)c2)c(Cl)c1 ZINC000002866751 209930670 /nfs/dbraw/zinc/93/06/70/209930670.db2.gz DKDLEDRTCYIADG-UHFFFAOYSA-N 0 0 344.716 4.629 50 0 EJAARN O=C1S/C(=C\c2ccccc2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000002810548 209920408 /nfs/dbraw/zinc/92/04/08/209920408.db2.gz JSZYOUQAZQXEFR-GDNBJRDFSA-N 0 0 329.808 4.577 50 0 EJAARN CC(=O)c1ccc(NC(=S)Nc2cc(C(C)(C)C)ccc2O)cc1 ZINC000017071567 201984850 /nfs/dbraw/zinc/98/48/50/201984850.db2.gz VTABKCFVBUQSDX-UHFFFAOYSA-N 0 0 342.464 4.701 50 0 EJAARN Cc1cc(C)n(C(=O)c2cc(-c3cccc(C)c3)nc3ccccc32)n1 ZINC000002739033 209899325 /nfs/dbraw/zinc/89/93/25/209899325.db2.gz UPBATVXRTIQNFA-UHFFFAOYSA-N 0 0 341.414 4.712 50 0 EJAARN COc1ccc(C)c2sc(NC(=O)c3ccccc3Cl)nc21 ZINC000002713883 209894103 /nfs/dbraw/zinc/89/41/03/209894103.db2.gz QRHZRJYVHDQNJF-UHFFFAOYSA-N 0 0 332.812 4.519 50 0 EJAARN CC[C@H](C)c1ccc(NC(=O)CSc2nc(C)c(C)c(C)n2)cc1 ZINC000002625885 209877029 /nfs/dbraw/zinc/87/70/29/209877029.db2.gz XUZFXVSFWBUQTI-LBPRGKRZSA-N 0 0 343.496 4.646 50 0 EJAARN O=C(NCc1ccccc1Cl)Nc1cccc(C(F)(F)F)c1 ZINC000002566460 209868458 /nfs/dbraw/zinc/86/84/58/209868458.db2.gz FBIJTLBDZOLRSK-UHFFFAOYSA-N 0 0 328.721 4.681 50 0 EJAARN CCc1ccc([C@H]2C[C@@H](c3ccc(CC)cc3)Nc3ncnn32)cc1 ZINC000002487933 209856913 /nfs/dbraw/zinc/85/69/13/209856913.db2.gz NPYGNTLMOAMUAM-VQTJNVASSA-N 0 0 332.451 4.549 50 0 EJAARN Cc1nn2c(nc3c(c2NC2CCCC2)CCCC3)c1-c1ccccc1 ZINC000002442501 209850773 /nfs/dbraw/zinc/85/07/73/209850773.db2.gz NRHZXULRNODQPY-UHFFFAOYSA-N 0 0 346.478 4.938 50 0 EJAARN O=C(c1ccccc1F)N(Cc1ccco1)c1ccc(Cl)cc1 ZINC000002408552 209848629 /nfs/dbraw/zinc/84/86/29/209848629.db2.gz YIKHKSMXEIEGFJ-UHFFFAOYSA-N 0 0 329.758 4.919 50 0 EJAARN Cc1ccc(-c2nnc(SCCCCOc3ccccc3)o2)cc1 ZINC000002270368 209835764 /nfs/dbraw/zinc/83/57/64/209835764.db2.gz CZLFENNTAQLPRY-UHFFFAOYSA-N 0 0 340.448 4.996 50 0 EJAARN COc1cccc(NC(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)c1 ZINC000068755584 215331481 /nfs/dbraw/zinc/33/14/81/215331481.db2.gz HAKKTPKHPZJMQX-CQSZACIVSA-N 0 0 335.403 4.599 50 0 EJAARN CCN(CC(=O)Nc1ccccc1Cc1ccccc1)c1ccccc1 ZINC000068822816 215337338 /nfs/dbraw/zinc/33/73/38/215337338.db2.gz ASDDAQPQQAYOPN-UHFFFAOYSA-N 0 0 344.458 4.742 50 0 EJAARN COc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cc1F ZINC000017604641 201990214 /nfs/dbraw/zinc/99/02/14/201990214.db2.gz JKLUGCQTILGDGL-FQEVSTJZSA-N 0 0 349.405 4.548 50 0 EJAARN O=C(Nc1cccc(Cl)c1)Nc1c(F)c(F)c(F)c(F)c1F ZINC000002097893 209819241 /nfs/dbraw/zinc/81/92/41/209819241.db2.gz GGNRAJAMYSPUCA-UHFFFAOYSA-N 0 0 336.647 4.680 50 0 EJAARN CCC(=O)N(CC[C@H](C(C)C)[C@H]1CCOC(C)(C)C1)Cc1ccco1 ZINC000002105617 209819318 /nfs/dbraw/zinc/81/93/18/209819318.db2.gz LSPWQLQHZZKYDW-PKOBYXMFSA-N 0 0 349.515 4.886 50 0 biogenic EJAARN O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCCc2ccccc21 ZINC000069128515 215361682 /nfs/dbraw/zinc/36/16/82/215361682.db2.gz LKXRMQXUDLJHOF-UHFFFAOYSA-N 0 0 330.431 4.640 50 0 EJAARN O=C(Cc1csc(-c2cccs2)n1)NC1CCCCCCC1 ZINC000017338083 201990372 /nfs/dbraw/zinc/99/03/72/201990372.db2.gz USVZPFONDSOYQB-UHFFFAOYSA-N 0 0 334.510 4.643 50 0 EJAARN CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)C(C)C ZINC000001953237 209808155 /nfs/dbraw/zinc/80/81/55/209808155.db2.gz OIVWPBIOVZRXRC-UHFFFAOYSA-N 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/nfs/dbraw/zinc/27/50/84/213275084.db2.gz JRRVONSUTADUCQ-OAHLLOKOSA-N 0 0 331.872 4.625 50 0 EJAARN c1ccn(-c2sccc2CNc2ncnc3c4ccccc4oc32)c1 ZINC000040155521 213275153 /nfs/dbraw/zinc/27/51/53/213275153.db2.gz YNTGCYVPZXYBGL-UHFFFAOYSA-N 0 0 346.415 4.840 50 0 EJAARN Fc1cccc(CN(Cc2coc(-c3cccc(F)c3)n2)C2CC2)c1 ZINC000040153661 213274296 /nfs/dbraw/zinc/27/42/96/213274296.db2.gz YMLMQTSGJWNFLQ-UHFFFAOYSA-N 0 0 340.373 4.784 50 0 EJAARN C[C@H](NC(=O)c1[nH]c2ccccc2c1Cl)c1ccc(F)c(F)c1 ZINC000040144975 213272270 /nfs/dbraw/zinc/27/22/70/213272270.db2.gz HJUNEJVSIIOQSV-VIFPVBQESA-N 0 0 334.753 4.591 50 0 EJAARN Cc1cccc(C)c1NC(=O)N(C)Cc1ccccc1Br ZINC000040099272 213264976 /nfs/dbraw/zinc/26/49/76/213264976.db2.gz SOAJJQNBOCMCQD-UHFFFAOYSA-N 0 0 347.256 4.730 50 0 EJAARN CCOc1ccccc1NC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000040098740 213265168 /nfs/dbraw/zinc/26/51/68/213265168.db2.gz DEAJGIZDGJPTRT-CYBMUJFWSA-N 0 0 332.831 4.964 50 0 EJAARN COc1cc(C)c(NC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1OC 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COc1ccccc1/C=C/C(=O)N(Cc1ccco1)c1ccccc1 ZINC000040012244 213250731 /nfs/dbraw/zinc/25/07/31/213250731.db2.gz USDSZCXJYQQIQY-BUHFOSPRSA-N 0 0 333.387 4.535 50 0 EJAARN O=C1c2ccsc2SCCN1Cc1ccc(Cl)c(Cl)c1 ZINC000001403648 209741136 /nfs/dbraw/zinc/74/11/36/209741136.db2.gz AKNFDVBRSTZHMO-UHFFFAOYSA-N 0 0 344.288 4.803 50 0 EJAARN Cc1ccc(S(=O)(=O)c2ccc3c(c2)Oc2ccccc2N3)cc1 ZINC000039212901 213231616 /nfs/dbraw/zinc/23/16/16/213231616.db2.gz YMZVWRAKXCXDDC-UHFFFAOYSA-N 0 0 337.400 4.677 50 0 EJAARN COc1ccc2c(c1)CCc1sc(Nc3ccccc3F)nc1-2 ZINC000001178412 209714321 /nfs/dbraw/zinc/71/43/21/209714321.db2.gz QRNDVHBFSPHSPC-UHFFFAOYSA-N 0 0 326.396 4.800 50 0 EJAARN C[C@H](CCc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000001178357 209714189 /nfs/dbraw/zinc/71/41/89/209714189.db2.gz BYJOSKJCYBWBJF-LJQANCHMSA-N 0 0 343.470 4.956 50 0 EJAARN O=C(CSc1ccc2ccccc2n1)Nc1ccnc2ccccc21 ZINC000001071197 209708998 /nfs/dbraw/zinc/70/89/98/209708998.db2.gz VBHMLIVWGHPOGL-UHFFFAOYSA-N 0 0 345.427 4.514 50 0 EJAARN Brc1cccc(Nc2nc(-c3ccncc3)cs2)c1 ZINC000001123016 209711357 /nfs/dbraw/zinc/71/13/57/209711357.db2.gz WZRWWOINZHAPCU-UHFFFAOYSA-N 0 0 332.226 4.711 50 0 EJAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)n1 ZINC000001052482 209703609 /nfs/dbraw/zinc/70/36/09/209703609.db2.gz JDTYQVBWJNGFKX-UHFFFAOYSA-N 0 0 339.826 4.703 50 0 EJAARN O=C(/C=C/c1ccccc1)Nc1cccc(-c2cn3ccsc3n2)c1 ZINC000038735154 213222920 /nfs/dbraw/zinc/22/29/20/213222920.db2.gz OIKMSKTZYDFUSY-MDZDMXLPSA-N 0 0 345.427 4.715 50 0 EJAARN Cc1ccc([C@@H](CC(=O)NCc2ccccc2)c2ccccc2)cc1 ZINC000000971956 209697256 /nfs/dbraw/zinc/69/72/56/209697256.db2.gz CYOAMCLWBTXMNO-QFIPXVFZSA-N 0 0 329.443 4.833 50 0 EJAARN COc1ccc(C2(CNC(=O)c3cc4ccccc4o3)CCCC2)cc1 ZINC000038593550 213215672 /nfs/dbraw/zinc/21/56/72/213215672.db2.gz FMSNTSXRVMNWHT-UHFFFAOYSA-N 0 0 349.430 4.683 50 0 EJAARN Cc1cc(=O)oc2cc(OCc3ccc(F)cc3F)c(Cl)cc12 ZINC000000616308 209680897 /nfs/dbraw/zinc/68/08/97/209680897.db2.gz OLQCLCYGWLUNPE-UHFFFAOYSA-N 0 0 336.721 4.612 50 0 EJAARN Cc1cc(C)cc(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)c1 ZINC000000610262 209675127 /nfs/dbraw/zinc/67/51/27/209675127.db2.gz WHBVFBQXIGSXAS-UHFFFAOYSA-N 0 0 343.386 4.759 50 0 EJAARN COc1cccc([C@@H](C)NC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000000609102 209673932 /nfs/dbraw/zinc/67/39/32/209673932.db2.gz VSTMJQMJHGYXER-LLVKDONJSA-N 0 0 338.329 4.597 50 0 EJAARN O=C(Nc1ccc(F)c(Cl)c1)N1CCC(Cc2ccccc2)CC1 ZINC000000609114 209673983 /nfs/dbraw/zinc/67/39/83/209673983.db2.gz AHWGZZVVUVSCFR-UHFFFAOYSA-N 0 0 346.833 4.966 50 0 EJAARN CCCCOc1ccc(NC(=O)N[C@@H](C)Cc2cccs2)cc1 ZINC000038489516 213211652 /nfs/dbraw/zinc/21/16/52/213211652.db2.gz CKMKWQCZNDCQEO-AWEZNQCLSA-N 0 0 332.469 4.680 50 0 EJAARN CSCc1csc(NC(=O)Nc2ccccc2C(F)(F)F)n1 ZINC000038486293 213210346 /nfs/dbraw/zinc/21/03/46/213210346.db2.gz ZESARDQOUCFRBL-UHFFFAOYSA-N 0 0 347.387 4.669 50 0 EJAARN CCCCOc1ccc(NC(=O)N[C@H](C)Cc2cccs2)cc1 ZINC000038489518 213210812 /nfs/dbraw/zinc/21/08/12/213210812.db2.gz CKMKWQCZNDCQEO-CQSZACIVSA-N 0 0 332.469 4.680 50 0 EJAARN COc1ccc(Cl)cc1NC(=O)N1c2ccc(F)cc2CC[C@@H]1C ZINC000000611368 209675995 /nfs/dbraw/zinc/67/59/95/209675995.db2.gz DMZPLVLIZCJLCR-NSHDSACASA-N 0 0 348.805 4.861 50 0 EJAARN COC(=O)c1cc(OCc2ccccc2Cl)c2cc(C)ccc2n1 ZINC000038486569 213210119 /nfs/dbraw/zinc/21/01/19/213210119.db2.gz HMBWTLXKAKCQKX-UHFFFAOYSA-N 0 0 341.794 4.562 50 0 EJAARN COC(=O)c1cc(Nc2ccc(F)c(Cl)c2)c2ccccc2n1 ZINC000038486741 213209705 /nfs/dbraw/zinc/20/97/05/213209705.db2.gz GIBOMSWQWVBXRQ-UHFFFAOYSA-N 0 0 330.746 4.558 50 0 EJAARN COC(=O)c1cc(Nc2ccc(F)c(Cl)c2)c2cc(C)ccc2n1 ZINC000038486812 213210405 /nfs/dbraw/zinc/21/04/05/213210405.db2.gz SHMLQTMHTQGKIB-UHFFFAOYSA-N 0 0 344.773 4.866 50 0 EJAARN COC(=O)c1cc(Nc2ccc(F)c(Cl)c2)c2cccc(F)c2n1 ZINC000038486945 213210429 /nfs/dbraw/zinc/21/04/29/213210429.db2.gz NGEOKFOCMXVRHJ-UHFFFAOYSA-N 0 0 348.736 4.697 50 0 EJAARN O=C(Nc1nc2c(ccc(Cl)c2Cl)s1)c1ccc(F)cc1 ZINC000000557658 209663718 /nfs/dbraw/zinc/66/37/18/209663718.db2.gz YJSDKVMAGORCCT-UHFFFAOYSA-N 0 0 341.194 4.995 50 0 EJAARN COc1c(Cl)cc(C(=O)Nc2cccc3cccnc32)cc1Cl ZINC000000556395 209663322 /nfs/dbraw/zinc/66/33/22/209663322.db2.gz FXMSMTAVOHFJKT-UHFFFAOYSA-N 0 0 347.201 4.803 50 0 EJAARN c1ccc(CNc2nc3ccccc3nc2NCc2ccccc2)cc1 ZINC000000553874 209661298 /nfs/dbraw/zinc/66/12/98/209661298.db2.gz XMXWKIZCIXMQTD-UHFFFAOYSA-N 0 0 340.430 4.854 50 0 EJAARN CCCc1nc2sc3c(ncnc3N(CC)CC)c2c2c1CCC2 ZINC000000541437 209656514 /nfs/dbraw/zinc/65/65/14/209656514.db2.gz PIQGZUMJPGWQGR-UHFFFAOYSA-N 0 0 340.496 4.527 50 0 EJAARN CC(C)(C)c1ccc(-c2nnc3sc(-c4cccs4)nn32)cc1 ZINC000000531071 209651189 /nfs/dbraw/zinc/65/11/89/209651189.db2.gz YPQKYUPSORYXQH-UHFFFAOYSA-N 0 0 340.477 4.879 50 0 EJAARN O=C(Nc1cccc(Cl)c1N1CCCC1)c1cc2ccccc2o1 ZINC000000528385 209648463 /nfs/dbraw/zinc/64/84/63/209648463.db2.gz LNUAWVILFHOUFW-UHFFFAOYSA-N 0 0 340.810 4.939 50 0 EJAARN CC(=O)c1sc2nc(-c3ccc(C)cc3)c3c(c2c1N)CCCC3 ZINC000000521860 209645257 /nfs/dbraw/zinc/64/52/57/209645257.db2.gz ZHSCIBUUPZLMQV-UHFFFAOYSA-N 0 0 336.460 4.935 50 0 EJAARN C[C@H](Nc1nc(-c2ccncc2)nc2ccccc21)c1ccccc1 ZINC000000520897 209644970 /nfs/dbraw/zinc/64/49/70/209644970.db2.gz YILNAATVQIJIAT-HNNXBMFYSA-N 0 0 326.403 4.865 50 0 EJAARN O=C1Nc2ccc(Br)cc2/C1=C/c1ccccc1Cl ZINC000020114004 202032811 /nfs/dbraw/zinc/03/28/11/202032811.db2.gz XECBURAFWLWXSD-GHXNOFRVSA-N 0 0 334.600 4.595 50 0 EJAARN CCc1nnc2c3ccccc3nc(Nc3ccc(C(C)C)cc3)n12 ZINC000020178100 202035993 /nfs/dbraw/zinc/03/59/93/202035993.db2.gz PPIHYVKFMCJTHM-UHFFFAOYSA-N 0 0 331.423 4.707 50 0 EJAARN Cc1ccc(-n2c(Nc3ccc(C)c(C)c3)c3[nH]cccc-3c2=O)cc1 ZINC000020437403 202041620 /nfs/dbraw/zinc/04/16/20/202041620.db2.gz ULZANUCSKSYCQI-OAQYLSRUSA-N 0 0 343.430 4.778 50 0 EJAARN CCc1ccccc1NC(=O)c1cc2cccc3c2n1C[C@H](C)S3 ZINC000020559788 202048414 /nfs/dbraw/zinc/04/84/14/202048414.db2.gz XOMUEOSJIKPEGN-ZDUSSCGKSA-N 0 0 336.460 4.950 50 0 EJAARN Fc1ccc(-c2noc3ncnc(NCCC4=CCCCC4)c32)cc1 ZINC000020574393 202048826 /nfs/dbraw/zinc/04/88/26/202048826.db2.gz JQGUURHMXDSKLM-UHFFFAOYSA-N 0 0 338.386 4.726 50 0 EJAARN CCc1cccc(Nc2cc(C(=O)Nc3ccc(C)cc3)ccn2)c1 ZINC000021533564 202066395 /nfs/dbraw/zinc/06/63/95/202066395.db2.gz ZGEPIJHOGVMGOF-UHFFFAOYSA-N 0 0 331.419 4.948 50 0 EJAARN CCCC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(C)cc1 ZINC000021715532 202068585 /nfs/dbraw/zinc/06/85/85/202068585.db2.gz DLSLEOYBHCCVCG-JOCHJYFZSA-N 0 0 332.447 4.751 50 0 EJAARN O=C1Nc2ccccc2S/C1=C/c1ccc(Br)cc1 ZINC000021658571 202068925 /nfs/dbraw/zinc/06/89/25/202068925.db2.gz UJHJQBURIBTZAB-NTEUORMPSA-N 0 0 332.222 4.534 50 0 EJAARN CCC[C@H]1c2ccc(C)n2CCN1C(=O)Nc1ccccc1OCC ZINC000020900401 202056985 /nfs/dbraw/zinc/05/69/85/202056985.db2.gz UVLZXIJWEJDCAN-KRWDZBQOSA-N 0 0 341.455 4.584 50 0 EJAARN CCC[C@@H]1c2ccc(C)n2CCN1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000020900407 202057527 /nfs/dbraw/zinc/05/75/27/202057527.db2.gz UBROAUXCSSETNU-MRXNPFEDSA-N 0 0 349.837 4.978 50 0 EJAARN Cc1nc([C@@H](C)N(C)Cc2nc(-c3ccsc3)oc2C)c(C)s1 ZINC000020997282 202060677 /nfs/dbraw/zinc/06/06/77/202060677.db2.gz KDUOHGPTWZXGJI-SNVBAGLBSA-N 0 0 347.509 4.978 50 0 EJAARN CCOc1ccccc1NC(=O)C[C@H](c1ccc(C)cc1)n1cccc1 ZINC000020997944 202061003 /nfs/dbraw/zinc/06/10/03/202061003.db2.gz SCWINTDMPQWFJH-HXUWFJFHSA-N 0 0 348.446 4.813 50 0 EJAARN Cc1ccc(Nc2c3[nH]cccc-3c(=O)n2-c2ccccc2)c(Cl)c1 ZINC000021108191 202062176 /nfs/dbraw/zinc/06/21/76/202062176.db2.gz LZPILFGREVJVFS-LJQANCHMSA-N 0 0 349.821 4.815 50 0 EJAARN COc1ccc([C@@H]2CC(=O)Nc3c(-c4ccccc4)csc32)cc1 ZINC000021157575 202063080 /nfs/dbraw/zinc/06/30/80/202063080.db2.gz YRDUGORHVGITBF-INIZCTEOSA-N 0 0 335.428 4.898 50 0 EJAARN Cc1ccc(C(=O)COC(=O)C=Cc2cccc3ccccc23)s1 ZINC000021855989 202072289 /nfs/dbraw/zinc/07/22/89/202072289.db2.gz CBPVGYJWDHXCSX-ZRDIBKRKSA-N 0 0 336.412 4.649 50 0 EJAARN O=C(NCc1nc2ccccc2s1)c1cc2c(cccc2F)s1 ZINC000021904837 202073732 /nfs/dbraw/zinc/07/37/32/202073732.db2.gz QMQGJPJYJPJZAM-UHFFFAOYSA-N 0 0 342.420 4.580 50 0 EJAARN C[C@H](NC(=O)c1cccc2ccccc21)c1ccc(-n2ccnc2)cc1 ZINC000021920915 202074875 /nfs/dbraw/zinc/07/48/75/202074875.db2.gz JQQOSQMBTYOXQN-INIZCTEOSA-N 0 0 341.414 4.517 50 0 EJAARN CN(C(=O)c1ccc(-c2ccc3c(c2)OCO3)s1)C1CCCCC1 ZINC000022628065 202088484 /nfs/dbraw/zinc/08/84/84/202088484.db2.gz PIXHMECSVAYZCS-UHFFFAOYSA-N 0 0 343.448 4.549 50 0 EJAARN O=C(NCCc1ccc(F)cc1)c1ccc(-c2ccc(F)cc2)s1 ZINC000022657163 202089528 /nfs/dbraw/zinc/08/95/28/202089528.db2.gz FRHONBYAOBYVKP-UHFFFAOYSA-N 0 0 343.398 4.666 50 0 EJAARN Cc1ccc(C(=O)N2CCC[C@@H]2c2cccs2)cc1-n1cccc1 ZINC000022699947 202090103 /nfs/dbraw/zinc/09/01/03/202090103.db2.gz CDTIEQQNJUMAGT-QGZVFWFLSA-N 0 0 336.460 4.825 50 0 EJAARN Cc1ccsc1CN(C)C(=O)c1sc(-c2ccccc2)nc1C ZINC000023040232 202096576 /nfs/dbraw/zinc/09/65/76/202096576.db2.gz RJKNGBHNOFYGFQ-UHFFFAOYSA-N 0 0 342.489 4.761 50 0 EJAARN Cc1ccc(C)c(Cn2cnc3c(-c4ccccc4)csc3c2=O)c1 ZINC000023126378 202099072 /nfs/dbraw/zinc/09/90/72/202099072.db2.gz HCBKKQJIURGSDI-UHFFFAOYSA-N 0 0 346.455 4.790 50 0 EJAARN CSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCCC3 ZINC000000506847 209638823 /nfs/dbraw/zinc/63/88/23/209638823.db2.gz DZBSHDZNSVCHDI-UHFFFAOYSA-N 0 0 329.494 4.964 50 0 EJAARN Cc1ccc(-c2nnc(CN[C@@H](C)c3ccc(Cl)cc3)o2)cc1 ZINC000025919888 202136816 /nfs/dbraw/zinc/13/68/16/202136816.db2.gz ZMAYAZBZVFIIKD-ZDUSSCGKSA-N 0 0 327.815 4.549 50 0 EJAARN Cc1ccc(CCCC(=O)N[C@H](c2ccccc2)c2ccccn2)cc1 ZINC000040141292 202177255 /nfs/dbraw/zinc/17/72/55/202177255.db2.gz NGHAWWQBERPJLS-HSZRJFAPSA-N 0 0 344.458 4.619 50 0 EJAARN Cc1ccc(COc2ccc3c(c2)oc(=O)cc3C(F)(F)F)cc1 ZINC000000497416 209634778 /nfs/dbraw/zinc/63/47/78/209634778.db2.gz NGCHEQXRYSBMNE-UHFFFAOYSA-N 0 0 334.293 4.699 50 0 biogenic EJAARN C/C(Cl)=C\COc1cc(C)nc2c(Br)cccc12 ZINC000037858754 213171736 /nfs/dbraw/zinc/17/17/36/213171736.db2.gz HMRIXCDJNBCIKO-RMKNXTFCSA-N 0 0 326.621 4.827 50 0 EJAARN Cc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1NC(=O)C1CC1 ZINC000030831066 202199559 /nfs/dbraw/zinc/19/95/59/202199559.db2.gz SVDRENNUIOOQAO-UHFFFAOYSA-N 0 0 343.814 4.641 50 0 EJAARN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CCOc1cccc(F)c1 ZINC000030215419 202193797 /nfs/dbraw/zinc/19/37/97/202193797.db2.gz QEVLIEWFDBJEEG-AWEZNQCLSA-N 0 0 341.382 4.560 50 0 EJAARN C[C@H](c1cc2ccccc2o1)N(C)C(=O)CCOc1cccc(F)c1 ZINC000030215416 202194162 /nfs/dbraw/zinc/19/41/62/202194162.db2.gz QEVLIEWFDBJEEG-CQSZACIVSA-N 0 0 341.382 4.560 50 0 EJAARN Clc1cc(-c2nc(-c3ccc4c(c3)OCCCO4)cs2)ccn1 ZINC000030447328 202195601 /nfs/dbraw/zinc/19/56/01/202195601.db2.gz FNRWMXHRCPZXMO-UHFFFAOYSA-N 0 0 344.823 4.687 50 0 EJAARN O=C(NCc1cccc(F)c1)c1cc2sccc2n1CC1CCC1 ZINC000037588058 213159894 /nfs/dbraw/zinc/15/98/94/213159894.db2.gz YCDNEZRQGRTMJS-UHFFFAOYSA-N 0 0 342.439 4.572 50 0 EJAARN CCc1oc2ccccc2c1/C=C/C(=O)N(C)Cc1cccs1 ZINC000031525352 202206215 /nfs/dbraw/zinc/20/62/15/202206215.db2.gz QOXOOLUPVUHQTJ-ZHACJKMWSA-N 0 0 325.433 4.729 50 0 EJAARN COc1ccc(-c2cncc(COc3cccc(C)c3C)c2)cc1OC ZINC000037553863 213157073 /nfs/dbraw/zinc/15/70/73/213157073.db2.gz LVWYUYZDZRWMKP-UHFFFAOYSA-N 0 0 349.430 4.962 50 0 EJAARN CC[C@H](NC(=O)c1ccccc1Cl)c1ccccc1OC(F)F ZINC000031756501 202209922 /nfs/dbraw/zinc/20/99/22/202209922.db2.gz SRWNFZRSPRNNGZ-AWEZNQCLSA-N 0 0 339.769 4.823 50 0 EJAARN Fc1cccc(F)c1[C@H]1c2cccn2CCCN1Cc1ccccc1 ZINC000037522692 213152751 /nfs/dbraw/zinc/15/27/51/213152751.db2.gz YDXVNNUZWBWFLE-OAQYLSRUSA-N 0 0 338.401 4.762 50 0 EJAARN COc1cccc([C@@H](C)[NH2+][C@@H](C)c2cccc(Br)c2)c1 ZINC000037507758 213151637 /nfs/dbraw/zinc/15/16/37/213151637.db2.gz SORHILJROYFRNC-QWHCGFSZSA-N 0 0 334.257 4.870 50 0 EJAARN Cc1ccc(Cl)c(Oc2cc(N(C)C3CCCCC3)ncn2)c1 ZINC000037377110 213142637 /nfs/dbraw/zinc/14/26/37/213142637.db2.gz VBHXJRQXZVLGQS-UHFFFAOYSA-N 0 0 331.847 5.000 50 0 EJAARN O=C(CCc1ccc(Cl)cc1)N[C@@H]1CCSc2ccc(F)cc21 ZINC000037127512 213133297 /nfs/dbraw/zinc/13/32/97/213133297.db2.gz LNHPKFAXASZBBF-MRXNPFEDSA-N 0 0 349.858 4.765 50 0 EJAARN CCN(CC)C(=O)C[C@@H](c1ccccc1)c1ccc(OC(C)C)cc1 ZINC000000487474 209630984 /nfs/dbraw/zinc/63/09/84/209630984.db2.gz PWCHJIKFPJKPKD-NRFANRHFSA-N 0 0 339.479 4.864 50 0 biogenic EJAARN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000000475165 209624848 /nfs/dbraw/zinc/62/48/48/209624848.db2.gz JLYWTBJBAQJTNU-VIFPVBQESA-N 0 0 328.170 4.539 50 0 EJAARN CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(Br)cc1C ZINC000000471777 209622559 /nfs/dbraw/zinc/62/25/59/209622559.db2.gz DTJNOIAPVQQAJS-INIZCTEOSA-N 0 0 348.240 4.554 50 0 EJAARN CCCC(=O)n1nc(-c2ccccc2)nc1SCc1ccccc1 ZINC000000472519 209623579 /nfs/dbraw/zinc/62/35/79/209623579.db2.gz AHCCKVKBIWMZPQ-UHFFFAOYSA-N 0 0 337.448 4.678 50 0 EJAARN O=C(COc1cccc2ccccc21)c1ccc(Br)cc1 ZINC000000473544 209623429 /nfs/dbraw/zinc/62/34/29/209623429.db2.gz BSZVCDXJIAYDDD-UHFFFAOYSA-N 0 0 341.204 4.864 50 0 EJAARN CCCC(CCC)C(=O)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000000462700 209616287 /nfs/dbraw/zinc/61/62/87/209616287.db2.gz UOHTWIGWFAHOQR-UHFFFAOYSA-N 0 0 328.412 4.687 50 0 EJAARN COc1ccccc1CN(C)[C@H](C)c1nc2ccccc2n1C(F)F ZINC000036722621 213113594 /nfs/dbraw/zinc/11/35/94/213113594.db2.gz SVLSVBFQLCXFOZ-CYBMUJFWSA-N 0 0 345.393 4.633 50 0 EJAARN COc1ccccc1CN(C)[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000036722619 213113231 /nfs/dbraw/zinc/11/32/31/213113231.db2.gz SVLSVBFQLCXFOZ-ZDUSSCGKSA-N 0 0 345.393 4.633 50 0 EJAARN Cc1ccc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)cc1Cl ZINC000000452991 209609775 /nfs/dbraw/zinc/60/97/75/209609775.db2.gz GZXUXMNYTJYOEU-UHFFFAOYSA-N 0 0 346.883 4.899 50 0 EJAARN CC[C@H](C)c1ccc(NC(=S)NC(=O)c2ccc(C)c(C)c2)cc1 ZINC000000452657 209609780 /nfs/dbraw/zinc/60/97/80/209609780.db2.gz MAXFNBCANQEHPB-ZDUSSCGKSA-N 0 0 340.492 4.944 50 0 EJAARN COc1cc(OC)cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000000456411 209611860 /nfs/dbraw/zinc/61/18/60/209611860.db2.gz HILMCFXERUDDKL-UHFFFAOYSA-N 0 0 349.386 4.748 50 0 EJAARN Cc1ccc(NC(=S)NC(=O)c2cccc3ccccc32)cc1C ZINC000000452933 209609707 /nfs/dbraw/zinc/60/97/07/209609707.db2.gz YMRDIFAFGUHXKD-UHFFFAOYSA-N 0 0 334.444 4.583 50 0 EJAARN COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000036620360 213105239 /nfs/dbraw/zinc/10/52/39/213105239.db2.gz FUMARGVNVUTPNI-KRWDZBQOSA-N 0 0 348.805 4.857 50 0 EJAARN Cc1ccc(-c2cc(C(F)F)nc(NCc3ccco3)n2)cc1C ZINC000036614144 213101810 /nfs/dbraw/zinc/10/18/10/213101810.db2.gz YEAOXMVVHOUYQC-UHFFFAOYSA-N 0 0 329.350 4.903 50 0 EJAARN Cn1c(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc2occc21 ZINC000036360289 213089482 /nfs/dbraw/zinc/08/94/82/213089482.db2.gz AHSFEMYNXMXWGK-UHFFFAOYSA-N 0 0 346.386 4.603 50 0 EJAARN Fc1ccc([C@H]2c3cccn3CCCN2Cc2ccccc2)cc1F ZINC000036348652 213085176 /nfs/dbraw/zinc/08/51/76/213085176.db2.gz QBRHLXBNQNGUEQ-NRFANRHFSA-N 0 0 338.401 4.762 50 0 EJAARN O=C1C[C@H](c2ccc(F)cc2F)c2sc(N3CCCCC3)nc2N1 ZINC000036354349 213088153 /nfs/dbraw/zinc/08/81/53/213088153.db2.gz SZXFESORFBZKHE-GFCCVEGCSA-N 0 0 349.406 4.535 50 0 EJAARN O=C1C[C@H](c2ccsc2)c2ncn(-c3ccc(F)c(Cl)c3)c2N1 ZINC000036353640 213088201 /nfs/dbraw/zinc/08/82/01/213088201.db2.gz PDEFGXJEFJIIDC-LLVKDONJSA-N 0 0 347.802 4.850 50 0 EJAARN 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ZINC000027584521 212567824 /nfs/dbraw/zinc/56/78/24/212567824.db2.gz MPATYJLGQBRZGI-UHFFFAOYSA-N 0 0 336.822 4.890 50 0 EJAARN C[C@@H](Sc1ccc(F)c(F)c1)C(=O)Nc1cccc2ncccc21 ZINC000026837984 212536542 /nfs/dbraw/zinc/53/65/42/212536542.db2.gz YPVRZKFYHYUOHF-LLVKDONJSA-N 0 0 344.386 4.632 50 0 EJAARN CC(C)CC(=O)Nc1ccc(NC(=O)c2c(F)cccc2Cl)cc1 ZINC000026319131 212514745 /nfs/dbraw/zinc/51/47/45/212514745.db2.gz KIIZPPCATOGLKJ-UHFFFAOYSA-N 0 0 348.805 4.716 50 0 EJAARN C[C@@H](Nc1ccc(OC(F)(F)F)cc1)c1nnc(-c2ccccc2)o1 ZINC000025213602 212465671 /nfs/dbraw/zinc/46/56/71/212465671.db2.gz UURCNCSNKSZYML-LLVKDONJSA-N 0 0 349.312 4.808 50 0 EJAARN O=C(Nc1ccc2oc(-c3ccccc3)cc(=O)c2c1)C1CCCCC1 ZINC000009659967 201363911 /nfs/dbraw/zinc/36/39/11/201363911.db2.gz ZHPWDEJALFGZQF-UHFFFAOYSA-N 0 0 347.414 4.979 50 0 EJAARN O=c1c(-c2ccccc2)coc2c1ccc1c2CN(C2CCCC2)CO1 ZINC000013693679 201366424 /nfs/dbraw/zinc/36/64/24/201366424.db2.gz WZYGQAFILSJOSD-UHFFFAOYSA-N 0 0 347.414 4.555 50 0 biogenic EJAARN CCOC(=O)c1c2cc(OCC)ccc2oc1-c1ccc(OC)cc1 ZINC000000547552 201358994 /nfs/dbraw/zinc/35/89/94/201358994.db2.gz FQAMGNUHPOYFIF-UHFFFAOYSA-N 0 0 340.375 4.684 50 0 biogenic EJAARN COc1ccc([C@H](CC(C)C)NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000044845015 202529237 /nfs/dbraw/zinc/52/92/37/202529237.db2.gz WVSNCQFPRFGSFE-IBGZPJMESA-N 0 0 345.870 4.795 50 0 EJAARN CSc1ccc(CC(=O)Nc2nc(-c3cccs3)cs2)cc1 ZINC000010252264 541325345 /nfs/dbraw/zinc/32/53/45/541325345.db2.gz DSHNCEPGGIQAHS-UHFFFAOYSA-N 0 0 346.502 4.775 50 0 EJAARN Cc1ccc(C)c2sc(NC(=O)Cc3c[nH]c4ccccc34)nc21 ZINC000024553110 212425908 /nfs/dbraw/zinc/42/59/08/212425908.db2.gz AXVMPVSTPZADBF-UHFFFAOYSA-N 0 0 335.432 4.576 50 0 EJAARN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000048252044 202595828 /nfs/dbraw/zinc/59/58/28/202595828.db2.gz JKUDXXQIZYSUOX-AWEZNQCLSA-N 0 0 345.402 4.656 50 0 EJAARN OCc1cccc(Nc2nc(-c3cccs3)nc3ccccc32)c1 ZINC000023708981 212391806 /nfs/dbraw/zinc/39/18/06/212391806.db2.gz RNVYXPONPFGWNB-UHFFFAOYSA-N 0 0 333.416 4.594 50 0 EJAARN CSc1ccccc1NC(=O)c1ccc(COc2ccccc2)o1 ZINC000023655302 212388640 /nfs/dbraw/zinc/38/86/40/212388640.db2.gz KRSVYYAGIWJNMC-UHFFFAOYSA-N 0 0 339.416 4.833 50 0 EJAARN Cc1[nH]c2ccc(C(=O)N(C)Cc3ccc(Cl)s3)cc2c1C ZINC000023643897 212387251 /nfs/dbraw/zinc/38/72/51/212387251.db2.gz VLUSXKIAVQQRKR-UHFFFAOYSA-N 0 0 332.856 4.772 50 0 EJAARN COc1ccc(Cc2nc(-c3ccccc3F)cs2)cc1OC ZINC000023624799 212386437 /nfs/dbraw/zinc/38/64/37/212386437.db2.gz GKAQOADJBPAZRZ-UHFFFAOYSA-N 0 0 329.396 4.557 50 0 EJAARN O=C(CC1CCCCC1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000023499793 212379989 /nfs/dbraw/zinc/37/99/89/212379989.db2.gz ZKONELSCQHTQLV-UHFFFAOYSA-N 0 0 342.508 4.973 50 0 EJAARN CCOc1ccc(-c2nc(-c3ccccc3Br)no2)cc1 ZINC000023477931 212378102 /nfs/dbraw/zinc/37/81/02/212378102.db2.gz GECYJMHPVFUUMX-UHFFFAOYSA-N 0 0 345.196 4.565 50 0 EJAARN Cc1cccc(OCCSCC(=O)Nc2cccc(Cl)c2C)c1 ZINC000023412391 212374975 /nfs/dbraw/zinc/37/49/75/212374975.db2.gz BGCYNFJAGSCLNJ-UHFFFAOYSA-N 0 0 349.883 4.708 50 0 EJAARN O=C(Nc1nnc(C2CC2)s1)c1ccc(-c2ccccc2Cl)o1 ZINC000023293272 212366697 /nfs/dbraw/zinc/36/66/97/212366697.db2.gz SKZMSVSAPSHQKS-UHFFFAOYSA-N 0 0 345.811 4.581 50 0 EJAARN Cc1c(Cl)cccc1NC(=O)CCC(=O)c1ccc2c(c1)CCC2 ZINC000023135097 212353495 /nfs/dbraw/zinc/35/34/95/212353495.db2.gz XDSBIOGNYVTNGI-UHFFFAOYSA-N 0 0 341.838 4.739 50 0 EJAARN COc1cc(SC)ccc1NC(=O)c1ccccc1C(F)(F)F ZINC000192972311 239962455 /nfs/dbraw/zinc/96/24/55/239962455.db2.gz AOILEUIHTQRMIK-UHFFFAOYSA-N 0 0 341.354 4.688 50 0 EJAARN O=C(Nc1ccccc1)Nc1ccc(NC(=O)C2CCCCC2)cc1 ZINC000023011037 212341379 /nfs/dbraw/zinc/34/13/79/212341379.db2.gz LQOJCELIHAYVLF-UHFFFAOYSA-N 0 0 337.423 4.849 50 0 EJAARN COc1cccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c1 ZINC000022990536 212341015 /nfs/dbraw/zinc/34/10/15/212341015.db2.gz OKYHFUTVRBNQSC-UHFFFAOYSA-N 0 0 329.827 4.799 50 0 EJAARN O=C(NCC1CC1)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000022972007 212339629 /nfs/dbraw/zinc/33/96/29/212339629.db2.gz IBZSGEINIMFUPT-UHFFFAOYSA-N 0 0 335.325 4.638 50 0 EJAARN Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1 ZINC000000059297 201427590 /nfs/dbraw/zinc/42/75/90/201427590.db2.gz VVPLLDILYHOCCN-UHFFFAOYSA-N 0 0 344.414 4.808 50 0 EJAARN CCC(NC(=O)O[C@@H]1CCCC[C@H]1C)(C(F)(F)F)C(F)(F)F ZINC000000066485 201428365 /nfs/dbraw/zinc/42/83/65/201428365.db2.gz YAYJXPWJMARMIR-RKDXNWHRSA-N 0 0 335.288 4.565 50 0 EJAARN O=C(NCC1(c2cccs2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000022680121 212315997 /nfs/dbraw/zinc/31/59/97/212315997.db2.gz JVZYKKRUTKKANI-UHFFFAOYSA-N 0 0 326.248 4.517 50 0 EJAARN COc1ccc2sc(C(=O)Nc3ccc(F)cc3)c(Cl)c2c1 ZINC000022669782 212315554 /nfs/dbraw/zinc/31/55/54/212315554.db2.gz FFAKJMBEZZQXJK-UHFFFAOYSA-N 0 0 335.787 4.955 50 0 EJAARN Cc1noc(-c2ccccc2C)c1C(=O)N[C@@H](C)CCc1ccccc1 ZINC000022653626 212315010 /nfs/dbraw/zinc/31/50/10/212315010.db2.gz JMFAYHSAXMHCGH-INIZCTEOSA-N 0 0 348.446 4.710 50 0 EJAARN O=C1c2ccccc2N[C@H](c2ccc(F)cc2)N1Cc1ccccc1 ZINC000000070060 201429459 /nfs/dbraw/zinc/42/94/59/201429459.db2.gz AIPXTGKIFBDKBO-FQEVSTJZSA-N 0 0 332.378 4.592 50 0 EJAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](C)CC ZINC000022620759 212312552 /nfs/dbraw/zinc/31/25/52/212312552.db2.gz IZZBOAMRPMSYFB-LBPRGKRZSA-N 0 0 331.437 4.576 50 0 EJAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=O)[C@@H](C)CC ZINC000022621474 212312571 /nfs/dbraw/zinc/31/25/71/212312571.db2.gz PCVQABHABSDIDV-ZDUSSCGKSA-N 0 0 345.464 4.500 50 0 EJAARN Cc1noc(-c2ccccc2NC(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000022458948 212298775 /nfs/dbraw/zinc/29/87/75/212298775.db2.gz XYLDDXULWCYTDX-UHFFFAOYSA-N 0 0 348.189 4.604 50 0 EJAARN COc1ccc(C)cc1[C@@H](C)NC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000022396301 212294205 /nfs/dbraw/zinc/29/42/05/212294205.db2.gz MJQNYRDLTXLKLQ-HUUCEWRRSA-N 0 0 344.430 4.606 50 0 EJAARN O=C(C1CCCCC1)N1CCc2ccccc2[C@H]1c1ccc(F)cc1 ZINC000022351402 212293758 /nfs/dbraw/zinc/29/37/58/212293758.db2.gz UYYAGNYMYVHFCU-OAQYLSRUSA-N 0 0 337.438 4.880 50 0 EJAARN Cc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cn1 ZINC000022415826 212295537 /nfs/dbraw/zinc/29/55/37/212295537.db2.gz HZDUUPIBQQMFFI-UHFFFAOYSA-N 0 0 345.427 4.919 50 0 EJAARN CCOc1ccc(Oc2ccc(NC(=O)c3ccc(C)nc3)cc2)cc1 ZINC000022415004 212295404 /nfs/dbraw/zinc/29/54/04/212295404.db2.gz ZFKVVRBQIDURLG-UHFFFAOYSA-N 0 0 348.402 4.833 50 0 EJAARN CCCCCC(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(F)c1 ZINC000022337126 212291803 /nfs/dbraw/zinc/29/18/03/212291803.db2.gz OMIKQBROFRGARF-UHFFFAOYSA-N 0 0 331.435 4.828 50 0 EJAARN COc1ccc(-c2csc(NCCc3cccs3)n2)cc1F ZINC000022310110 212288915 /nfs/dbraw/zinc/28/89/15/212288915.db2.gz GNKTVUYMGUHLHR-UHFFFAOYSA-N 0 0 334.441 4.674 50 0 EJAARN CCCC[C@@H](CC)C(=O)N[C@@H]1CCc2[nH]c3c(cccc3C)c2C1 ZINC000022328839 212290937 /nfs/dbraw/zinc/29/09/37/212290937.db2.gz VFOKLTXYTGCWCA-HZPDHXFCSA-N 0 0 326.484 4.666 50 0 EJAARN CCCC[C@H](CC)C(=O)N[C@@H]1CCc2[nH]c3c(cccc3C)c2C1 ZINC000022328843 212290758 /nfs/dbraw/zinc/29/07/58/212290758.db2.gz VFOKLTXYTGCWCA-JKSUJKDBSA-N 0 0 326.484 4.666 50 0 EJAARN Cc1cccc(-c2cc(C(=O)N[C@H]3C[C@@H](C)CC(C)(C)C3)no2)c1 ZINC000022332626 212290628 /nfs/dbraw/zinc/29/06/28/212290628.db2.gz IUJHFECYSUKOCF-ZBFHGGJFSA-N 0 0 326.440 4.595 50 0 EJAARN Cc1c(NC(=O)Nc2c(C)cccc2Cl)cnn1C1CCCC1 ZINC000194026689 240407903 /nfs/dbraw/zinc/40/79/03/240407903.db2.gz OCEWGYOPOPAHCC-UHFFFAOYSA-N 0 0 332.835 4.912 50 0 EJAARN Cc1ccc2ccc3cc(C(=O)NCc4ccccc4Cl)[nH]c3c2n1 ZINC000075346762 216608798 /nfs/dbraw/zinc/60/87/98/216608798.db2.gz AITPEGBNRGUZSX-UHFFFAOYSA-N 0 0 349.821 4.608 50 0 EJAARN Cc1cc(NC(=O)c2cccc3ncccc32)ccc1Br ZINC000022195535 212281316 /nfs/dbraw/zinc/28/13/16/212281316.db2.gz AALYFCZMDKFTBT-UHFFFAOYSA-N 0 0 341.208 4.558 50 0 EJAARN O=C(/C=C/c1ccco1)N1CCS[C@H](c2ccccc2Cl)CC1 ZINC000211145717 241082035 /nfs/dbraw/zinc/08/20/35/241082035.db2.gz NAFDBGYTCSOUIW-OZSKJFCKSA-N 0 0 347.867 4.653 50 0 EJAARN Cc1ccccc1CSc1nc2ccsc2c(=O)n1CC(C)C ZINC000206596429 241045975 /nfs/dbraw/zinc/04/59/75/241045975.db2.gz WFOGKEMKEOYFRA-UHFFFAOYSA-N 0 0 344.505 4.715 50 0 EJAARN Cc1ccccc1C(=O)N1CCS[C@H](c2ccccc2C)CC1 ZINC000207003698 241060611 /nfs/dbraw/zinc/06/06/11/241060611.db2.gz BTWCREKBWUAJEK-IBGZPJMESA-N 0 0 325.477 4.624 50 0 EJAARN Cc1ccccc1C(=O)N1CCS[C@H](c2ccccc2Cl)CC1 ZINC000208045863 241065468 /nfs/dbraw/zinc/06/54/68/241065468.db2.gz RVPCMWYNTHDZDO-SFHVURJKSA-N 0 0 345.895 4.969 50 0 EJAARN Cc1ccccc1C(=O)N1CCS[C@@H](c2ccccc2Cl)CC1 ZINC000208045823 241065937 /nfs/dbraw/zinc/06/59/37/241065937.db2.gz RVPCMWYNTHDZDO-GOSISDBHSA-N 0 0 345.895 4.969 50 0 EJAARN COc1cccc2ccc(CN(C)[C@H](C)c3nc(C)sc3C)nc21 ZINC000215848229 241149556 /nfs/dbraw/zinc/14/95/56/241149556.db2.gz SEDYAYDHFIFTPC-GFCCVEGCSA-N 0 0 341.480 4.510 50 0 EJAARN CCOc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](C(C)C)O2 ZINC000216147648 241166746 /nfs/dbraw/zinc/16/67/46/241166746.db2.gz NXTMWQFQILLCDW-PZJWPPBQSA-N 0 0 336.435 4.611 50 0 EJAARN Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N(C)[C@@H](c1ccccn1)C1CC1 ZINC000216203092 241173819 /nfs/dbraw/zinc/17/38/19/241173819.db2.gz PVZAGNCXWDYHTK-OAQYLSRUSA-N 0 0 347.462 4.711 50 0 EJAARN Cc1cc(C(=O)N2CCC[C@H]2c2ccco2)c2ccc(Cl)cc2n1 ZINC000216251589 241177652 /nfs/dbraw/zinc/17/76/52/241177652.db2.gz MONRXNDLVPCSBS-KRWDZBQOSA-N 0 0 340.810 4.767 50 0 EJAARN Fc1ccc([C@H]2CCN2Cc2cnc(C3CCCCC3)nc2)cc1 ZINC000216272670 241177875 /nfs/dbraw/zinc/17/78/75/241177875.db2.gz JTKKEJFZZGYFCN-LJQANCHMSA-N 0 0 325.431 4.610 50 0 EJAARN O=C(c1ccc([C@@H]2CCCO2)s1)N1CCC[C@@H]1c1ccccc1 ZINC000216398723 241188545 /nfs/dbraw/zinc/18/85/45/241188545.db2.gz AGDWITGKGIFECJ-CVEARBPZSA-N 0 0 327.449 4.577 50 0 EJAARN C[C@H](c1ccncn1)N(C)Cc1ccc(SC2CCCCC2)o1 ZINC000216471402 241196109 /nfs/dbraw/zinc/19/61/09/241196109.db2.gz ZMPCAYGJKNKUMT-CQSZACIVSA-N 0 0 331.485 4.687 50 0 EJAARN COc1cc(Cl)cc2cc(C(=O)N3CC[C@@H]3c3cccs3)oc21 ZINC000215562030 241131839 /nfs/dbraw/zinc/13/18/39/241131839.db2.gz FBZJJMKGABIVOP-GFCCVEGCSA-N 0 0 347.823 4.744 50 0 EJAARN COc1cc(SC)ccc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000337683 201461550 /nfs/dbraw/zinc/46/15/50/201461550.db2.gz CAQWWTRHRVNPPB-UHFFFAOYSA-N 0 0 342.247 4.976 50 0 EJAARN Cc1cccc(N2CCN(c3cccc(C)c3)C2c2cccnc2)c1 ZINC000000348370 201462919 /nfs/dbraw/zinc/46/29/19/201462919.db2.gz FVAZFFGPGLNAPD-UHFFFAOYSA-N 0 0 329.447 4.724 50 0 EJAARN O=C(Nc1ccc(Cl)cc1Cl)c1cccc(OC(F)F)c1 ZINC000000375170 201465497 /nfs/dbraw/zinc/46/54/97/201465497.db2.gz QAWWAFGQSUXHSF-UHFFFAOYSA-N 0 0 332.133 4.847 50 0 EJAARN Cc1ccc(C2=NN(C(=O)c3ccccc3C)[C@@H](c3ccco3)C2)cc1 ZINC000000385971 201466610 /nfs/dbraw/zinc/46/66/10/201466610.db2.gz CSTODFSXMPBQTQ-HXUWFJFHSA-N 0 0 344.414 4.888 50 0 EJAARN CCOc1nc(-c2ccccc2)ccc1-c1noc(-c2cccs2)n1 ZINC000000387926 201467909 /nfs/dbraw/zinc/46/79/09/201467909.db2.gz GJLOFTBTEQBODT-UHFFFAOYSA-N 0 0 349.415 4.926 50 0 EJAARN c1cc(-c2noc(CSC3=Nc4ccccc4CS3)n2)cs1 ZINC000022022559 212271173 /nfs/dbraw/zinc/27/11/73/212271173.db2.gz JAJVVPDAINEDBK-UHFFFAOYSA-N 0 0 345.474 4.966 50 0 EJAARN Cc1cccc(OC(=O)COc2ccc(Cl)cc2Cl)c1C ZINC000000298887 201458198 /nfs/dbraw/zinc/45/81/98/201458198.db2.gz VPIXPZIEJOMDQJ-UHFFFAOYSA-N 0 0 325.191 4.595 50 0 EJAARN O=C(c1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 ZINC000000297496 201458213 /nfs/dbraw/zinc/45/82/13/201458213.db2.gz BCJMDIDQGYWIAO-NRFANRHFSA-N 0 0 326.399 4.678 50 0 EJAARN COc1ccc([C@]2(C)Nc3ccccc3-c3nc4ccccc4n32)cc1 ZINC000000543884 201485740 /nfs/dbraw/zinc/48/57/40/201485740.db2.gz MHMVGRAKYSZMOG-JOCHJYFZSA-N 0 0 341.414 4.858 50 0 EJAARN CC(C)COc1cccc(C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000000568714 201487546 /nfs/dbraw/zinc/48/75/46/201487546.db2.gz XHYNEQCBRAKQHS-UHFFFAOYSA-N 0 0 337.341 4.993 50 0 EJAARN Cc1ccccc1[C@H]1CCN(C(=O)c2ccc(Cl)cc2)CCS1 ZINC000219275678 241373427 /nfs/dbraw/zinc/37/34/27/241373427.db2.gz MEVVNPOSTHFNOZ-GOSISDBHSA-N 0 0 345.895 4.969 50 0 EJAARN CCOc1c(Cl)cc(C(=O)Nc2ccc(OC)cc2)cc1Cl ZINC000000465326 201475990 /nfs/dbraw/zinc/47/59/90/201475990.db2.gz CKOLGTJOVLMWMO-UHFFFAOYSA-N 0 0 340.206 4.653 50 0 EJAARN CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1cccc(C)c1 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CCO[C@@H](C)c1nc(CN[C@H](c2ccc(F)cc2)C(C)C)cs1 ZINC000076717148 203362193 /nfs/dbraw/zinc/36/21/93/203362193.db2.gz KSNFAIRXIJOLSV-GUYCJALGSA-N 0 0 336.476 4.867 50 0 EJAARN O=C(c1c[nH]nc1-c1ccccc1)N1CCCC[C@H]1c1cccc(F)c1 ZINC000077288194 203378100 /nfs/dbraw/zinc/37/81/00/203378100.db2.gz QWWBGWXTQQWNBC-IBGZPJMESA-N 0 0 349.409 4.583 50 0 EJAARN CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCC(=O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000257346165 244582371 /nfs/dbraw/zinc/58/23/71/244582371.db2.gz SYTVBUBBHFDVIK-DOTXUXAMSA-N 0 0 332.484 4.530 50 0 EJAARN Cc1c2ccccc2[nH]c1C(=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000077377278 203383768 /nfs/dbraw/zinc/38/37/68/203383768.db2.gz WGMAEAVHIGQSQL-IBGZPJMESA-N 0 0 336.410 4.983 50 0 EJAARN O=C(OCc1ccccc1)N1CCCc2cc(Br)ccc21 ZINC000261494042 244595961 /nfs/dbraw/zinc/59/59/61/244595961.db2.gz OLINVFQAMKMSPQ-UHFFFAOYSA-N 0 0 346.224 4.539 50 0 EJAARN Cc1ccc(N2C(=O)S/C(=C/c3c[nH]c4ccccc34)C2=O)cc1 ZINC000019758703 212062148 /nfs/dbraw/zinc/06/21/48/212062148.db2.gz 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ZINC000000444444 563316035 /nfs/dbraw/zinc/31/60/35/563316035.db2.gz VKXNQRIBIYAZNH-UHFFFAOYSA-N 0 0 337.206 4.594 50 0 EJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1C(F)(F)F ZINC000000444309 563316054 /nfs/dbraw/zinc/31/60/54/563316054.db2.gz UJZHLLIIMQFNSM-UHFFFAOYSA-N 0 0 333.231 4.977 50 0 EJAARN COc1ccccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000000444550 563316364 /nfs/dbraw/zinc/31/63/64/563316364.db2.gz GOMBBYVVUDWKTQ-UHFFFAOYSA-N 0 0 327.767 4.861 50 0 EJAARN Cc1ccc(NC(=O)c2ccc(F)cc2)c(C(=O)c2ccccc2)c1 ZINC000000445416 563316643 /nfs/dbraw/zinc/31/66/43/563316643.db2.gz IPNGIZONIUDVBJ-UHFFFAOYSA-N 0 0 333.362 4.617 50 0 EJAARN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(N2CCCCC2)cc1 ZINC000000447499 563317979 /nfs/dbraw/zinc/31/79/79/563317979.db2.gz UOGHFLFAJSMKPK-AWNIVKPZSA-N 0 0 340.854 4.982 50 0 aggregator EJAARN O=C(Nc1ccc(Br)cc1)c1ccccc1C(F)(F)F ZINC000000449922 563319104 /nfs/dbraw/zinc/31/91/04/563319104.db2.gz RVHMDMYLBOXPGB-UHFFFAOYSA-N 0 0 344.130 4.720 50 0 EJAARN CCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2)cc1 ZINC000000450513 563319299 /nfs/dbraw/zinc/31/92/99/563319299.db2.gz YLDDXZOYNABDOD-NRFANRHFSA-N 0 0 344.414 4.856 50 0 EJAARN Cc1cc(O)c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1C ZINC000000451275 563320361 /nfs/dbraw/zinc/32/03/61/563320361.db2.gz CXQMQTWVRTXITQ-GQCTYLIASA-N 0 0 336.218 4.968 50 0 EJAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1F ZINC000000451849 563320704 /nfs/dbraw/zinc/32/07/04/563320704.db2.gz BBQCWDXAKGMOAI-VIFPVBQESA-N 0 0 328.170 4.539 50 0 EJAARN O=C(NC(=S)Nc1ccccc1Cl)c1cccc2ccccc21 ZINC000000452841 563321579 /nfs/dbraw/zinc/32/15/79/563321579.db2.gz QIXLSGUGJVVJSL-UHFFFAOYSA-N 0 0 340.835 4.620 50 0 EJAARN CCc1cc(=O)oc2c(C)c(OCc3ccc(Cl)cc3)ccc12 ZINC000000455126 563323577 /nfs/dbraw/zinc/32/35/77/563323577.db2.gz KOXDWVKFBKWGBW-UHFFFAOYSA-N 0 0 328.795 4.896 50 0 EJAARN O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccc(Cl)cc1 ZINC000000456197 563323995 /nfs/dbraw/zinc/32/39/95/563323995.db2.gz LEUUQPOUJRNFNP-UHFFFAOYSA-N 0 0 347.805 4.907 50 0 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ZINC000004691010 563507735 /nfs/dbraw/zinc/50/77/35/563507735.db2.gz RDJSRWAHDBYHGY-UHFFFAOYSA-N 0 0 344.267 4.686 50 0 EJAARN Cc1ccc(C)c(COc2ccc3c4c(c(=O)oc3c2C)CCC4)c1 ZINC000004746045 563509908 /nfs/dbraw/zinc/50/99/08/563509908.db2.gz PJWFDRBTLVTOCW-UHFFFAOYSA-N 0 0 334.415 4.786 50 0 EJAARN CN(C)c1ccc([C@@H](O)c2ccc(O)c3ccccc32)c2ccccc21 ZINC000004773793 563510687 /nfs/dbraw/zinc/51/06/87/563510687.db2.gz HKCIKFSBFIXGCA-HSZRJFAPSA-N 0 0 343.426 4.846 50 0 EJAARN CC1(C)[C@@]2(C(=O)Oc3ccc(Cl)cc3Cl)CC[C@]1(C)C(=O)C2 ZINC000004811020 563511635 /nfs/dbraw/zinc/51/16/35/563511635.db2.gz NKXQNZLZVJYFOR-SJORKVTESA-N 0 0 341.234 4.684 50 0 EJAARN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1cccc(F)c1 ZINC000004840922 563512836 /nfs/dbraw/zinc/51/28/36/563512836.db2.gz HYTTYVYIVJFDIH-UHFFFAOYSA-N 0 0 347.349 4.590 50 0 EJAARN CC(=O)c1cccc(NC(=O)CSc2ccc(C(C)(C)C)cc2)c1 ZINC000004834871 563512861 /nfs/dbraw/zinc/51/28/61/563512861.db2.gz OSMANRLBGYQLIK-UHFFFAOYSA-N 0 0 341.476 4.918 50 0 EJAARN Cc1nc2c3ccccc3oc2c(SCC(=O)c2cccs2)n1 ZINC000005193465 563522363 /nfs/dbraw/zinc/52/23/63/563522363.db2.gz DDXLMKGMXCUBRM-UHFFFAOYSA-N 0 0 340.429 4.721 50 0 EJAARN Cc1ccc(-c2cnn3c2nc(C(C)(C)C)cc3N2CCCC2)cc1 ZINC000005348900 563527898 /nfs/dbraw/zinc/52/78/98/563527898.db2.gz SRYWANBBSVZXAF-UHFFFAOYSA-N 0 0 334.467 4.602 50 0 EJAARN CCCCCOc1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000005419125 563532000 /nfs/dbraw/zinc/53/20/00/563532000.db2.gz ZYVMJVQIRNCMJG-UHFFFAOYSA-N 0 0 343.423 4.525 50 0 EJAARN O=C(Nc1ccc2c(c1)ncn2C1CCCCC1)c1ccccc1F ZINC000005452277 563533185 /nfs/dbraw/zinc/53/31/85/563533185.db2.gz JDWKNMDDHSUJOU-UHFFFAOYSA-N 0 0 337.398 4.933 50 0 EJAARN C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 ZINC000005535000 563537353 /nfs/dbraw/zinc/53/73/53/563537353.db2.gz UWBICEKKOYXZRG-HCWGXPEJSA-N 0 0 342.479 4.594 50 0 EJAARN O=C(Nc1ccccc1)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000005604014 563542202 /nfs/dbraw/zinc/54/22/02/563542202.db2.gz DKVZEAMTOMSMLK-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/57/32/22/563573222.db2.gz LZBUJKNYRPUYJX-DEOSSOPVSA-N 0 0 343.492 4.510 50 0 EJAARN COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3CC(C)C)c1 ZINC000006832521 563588161 /nfs/dbraw/zinc/58/81/61/563588161.db2.gz BDTPXVPXFDPGSX-PZJWPPBQSA-N 0 0 336.435 4.611 50 0 EJAARN Cc1ccsc1/C=C1\SC(=N)N(c2ccc(Cl)cc2)C1=O ZINC000006925298 563591588 /nfs/dbraw/zinc/59/15/88/563591588.db2.gz HYWSWWMXHLSKAO-BPBFFJPSSA-N 0 0 334.853 4.766 50 0 EJAARN C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000002695299 563601972 /nfs/dbraw/zinc/60/19/72/563601972.db2.gz ZJMAVNOQXGKUCL-VIFPVBQESA-N 0 0 328.170 4.539 50 0 EJAARN Cc1cccc(OCCCCSCc2nc3ccccc3[nH]2)c1 ZINC000002699518 563602379 /nfs/dbraw/zinc/60/23/79/563602379.db2.gz GHVJJIJJMWIMMO-UHFFFAOYSA-N 0 0 326.465 4.964 50 0 EJAARN CN(C)c1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1 ZINC000002742056 563608595 /nfs/dbraw/zinc/60/85/95/563608595.db2.gz UHESWRHLSQVRNM-UHFFFAOYSA-N 0 0 344.458 4.913 50 0 EJAARN CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)OCCO2 ZINC000007669080 563609771 /nfs/dbraw/zinc/60/97/71/563609771.db2.gz GDVWKNLSLFNQMN-UHFFFAOYSA-N 0 0 339.435 4.957 50 0 EJAARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1Cl ZINC000002765988 563613721 /nfs/dbraw/zinc/61/37/21/563613721.db2.gz GAQKOHPQVIGYBF-CQSZACIVSA-N 0 0 345.870 4.721 50 0 EJAARN Cc1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1F ZINC000002765906 563613807 /nfs/dbraw/zinc/61/38/07/563613807.db2.gz UFPLEYGLDOYPGB-AWEZNQCLSA-N 0 0 329.415 4.838 50 0 EJAARN Cc1c(C(=O)Nc2cc(C)ccc2C)nnn1-c1ccc(C(C)C)cc1 ZINC000008022200 563619310 /nfs/dbraw/zinc/61/93/10/563619310.db2.gz WJNMJPULPYMQPV-UHFFFAOYSA-N 0 0 348.450 4.568 50 0 EJAARN Cc1ccccc1C(=O)Nc1cccc(-c2nc3cccnc3s2)c1 ZINC000002961408 563622463 /nfs/dbraw/zinc/62/24/63/563622463.db2.gz NRCZPVWEEXWVJB-UHFFFAOYSA-N 0 0 345.427 4.919 50 0 EJAARN Cc1ccc2[nH]c(-c3ccc(NC(=O)c4cccs4)cc3)nc2c1 ZINC000008558698 563632368 /nfs/dbraw/zinc/63/23/68/563632368.db2.gz XPZSBUISVQXIGP-UHFFFAOYSA-N 0 0 333.416 4.852 50 0 EJAARN Cc1ccc(-c2cn(N)c(SCc3ccccc3Cl)n2)cc1 ZINC000008706576 563636015 /nfs/dbraw/zinc/63/60/15/563636015.db2.gz AEALFCKIJMYENJ-UHFFFAOYSA-N 0 0 329.856 4.518 50 0 EJAARN Cc1nc2ccc(NC(=O)Cc3cccc4ccccc43)cc2nc1C ZINC000008706241 563636044 /nfs/dbraw/zinc/63/60/44/563636044.db2.gz ONZRLKKWCBSCDL-UHFFFAOYSA-N 0 0 341.414 4.581 50 0 EJAARN O=Cc1cccc(OCCOc2ccc(OCc3ccccc3)cc2)c1 ZINC000008730013 563638029 /nfs/dbraw/zinc/63/80/29/563638029.db2.gz LAORPRYYIFUXSL-UHFFFAOYSA-N 0 0 348.398 4.536 50 0 EJAARN CCOc1ccc(C(=O)Nc2cccc3ccc(C)nc32)cc1Cl ZINC000009426113 563643888 /nfs/dbraw/zinc/64/38/88/563643888.db2.gz UPUDBXRNQBJOTH-UHFFFAOYSA-N 0 0 340.810 4.848 50 0 EJAARN O=C(Nc1ccc(Cl)cc1)Nc1ccccc1OC[C@H]1CCCO1 ZINC000010155756 563646153 /nfs/dbraw/zinc/64/61/53/563646153.db2.gz IREGWBXWWBLUGA-OAHLLOKOSA-N 0 0 346.814 4.542 50 0 EJAARN Cc1ccc(C(=O)CSc2cc(-c3ccccc3)ncn2)cc1C ZINC000011903027 563651883 /nfs/dbraw/zinc/65/18/83/563651883.db2.gz YPUDLGARZAVMPM-UHFFFAOYSA-N 0 0 334.444 4.735 50 0 EJAARN COC(=O)c1cccc(COc2ccc(C3SCCS3)cc2)c1 ZINC000012369667 563658724 /nfs/dbraw/zinc/65/87/24/563658724.db2.gz RQCPWPJZRRSCRI-UHFFFAOYSA-N 0 0 346.473 4.531 50 0 EJAARN Cc1nn(Cc2ccccc2Cl)c(C)c1NCc1cccs1 ZINC000012395899 563659705 /nfs/dbraw/zinc/65/97/05/563659705.db2.gz NKGBCHCXYMKSHW-UHFFFAOYSA-N 0 0 331.872 4.875 50 0 EJAARN CC(C)c1ccc(N[C@H]2CCCN(C(=O)CC3CCCC3)C2)cc1 ZINC000012432085 563660745 /nfs/dbraw/zinc/66/07/45/563660745.db2.gz HIEOLCFWYJVLFW-FQEVSTJZSA-N 0 0 328.500 4.793 50 0 EJAARN Cc1ccc(-c2nc(CN3CCCC[C@@H]3c3nccs3)c(C)o2)o1 ZINC000012594149 563664674 /nfs/dbraw/zinc/66/46/74/563664674.db2.gz MDVSHGPCBDXYNY-OAHLLOKOSA-N 0 0 343.452 4.735 50 0 EJAARN Cc1cccc(-c2nnc3sc(-c4cc5ccccc5o4)nn32)c1 ZINC000012653881 563667078 /nfs/dbraw/zinc/66/70/78/563667078.db2.gz NQSHUYODXOQCCE-UHFFFAOYSA-N 0 0 332.388 4.574 50 0 EJAARN Cc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2C)cc1 ZINC000004362105 563670072 /nfs/dbraw/zinc/67/00/72/563670072.db2.gz ATAFXIJGHZMGBR-UHFFFAOYSA-N 0 0 329.856 4.736 50 0 EJAARN Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccccc3C(C)(C)C)c12 ZINC000012769790 563670429 /nfs/dbraw/zinc/67/04/29/563670429.db2.gz HBWKWQLMHHOIBP-UHFFFAOYSA-N 0 0 349.434 4.958 50 0 EJAARN COc1cccc(Oc2nc3c(Cl)c(C)nn3c3ccccc32)c1 ZINC000012788505 563670741 /nfs/dbraw/zinc/67/07/41/563670741.db2.gz NBOLMWYGWSGUEN-UHFFFAOYSA-N 0 0 339.782 4.645 50 0 EJAARN COc1ccccc1[C@@H](C)NC(=O)c1ccc(-c2ccccc2)nc1C ZINC000012791719 563671611 /nfs/dbraw/zinc/67/16/11/563671611.db2.gz GNDIZDICYMLMMQ-OAHLLOKOSA-N 0 0 346.430 4.557 50 0 EJAARN C[C@H](c1ccc(F)cc1)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000012794932 563672264 /nfs/dbraw/zinc/67/22/64/563672264.db2.gz KWZMIUFGBPPYSM-GFCCVEGCSA-N 0 0 345.805 4.722 50 0 EJAARN C[C@@H](NC(=O)CCCc1nc2ccccc2s1)c1ccccc1F ZINC000012797394 563673050 /nfs/dbraw/zinc/67/30/50/563673050.db2.gz KCUXCFJEZCJXAL-CYBMUJFWSA-N 0 0 342.439 4.636 50 0 EJAARN Cc1ccccc1[C@@H](C)NC(=O)CSc1nc2ccccc2s1 ZINC000012799003 563673460 /nfs/dbraw/zinc/67/34/60/563673460.db2.gz PIZXNFHVXQESQI-CYBMUJFWSA-N 0 0 342.489 4.574 50 0 EJAARN CCc1cccc(NC(=O)c2ccc(OCc3cscn3)cc2)c1 ZINC000012986407 563682302 /nfs/dbraw/zinc/68/23/02/563682302.db2.gz UMYWLXQDXBKAQV-UHFFFAOYSA-N 0 0 338.432 4.537 50 0 EJAARN O=C(Nc1ccccc1F)N[C@@H](c1cccs1)c1ccccc1 ZINC000013000536 563684538 /nfs/dbraw/zinc/68/45/38/563684538.db2.gz AMNDTQBWKNBMQV-QGZVFWFLSA-N 0 0 326.396 4.798 50 0 EJAARN C[C@@H](NC(=O)c1ccc(Cl)cc1F)c1ccc(OC(F)F)cc1 ZINC000013006310 563685356 /nfs/dbraw/zinc/68/53/56/563685356.db2.gz CXEIZKACZHFUGG-SECBINFHSA-N 0 0 343.732 4.572 50 0 EJAARN Cc1cc(Cl)ccc1OCCCC(=O)N[C@@H](C)CCC(C)C ZINC000013097175 563687607 /nfs/dbraw/zinc/68/76/07/563687607.db2.gz KGPCQULVJVLZNV-HNNXBMFYSA-N 0 0 325.880 4.748 50 0 EJAARN C[C@@H](Nc1nc(Nc2ccc(F)cc2)[nH]c(=S)n1)c1ccccc1 ZINC000013154159 563691384 /nfs/dbraw/zinc/69/13/84/563691384.db2.gz IHDYLPVKPZSYMR-LLVKDONJSA-N 0 0 341.415 4.590 50 0 EJAARN Brc1ccccc1OCCCCn1cnc2ccccc21 ZINC000013153088 563691437 /nfs/dbraw/zinc/69/14/37/563691437.db2.gz QCHPJBPMZWYTRW-UHFFFAOYSA-N 0 0 345.240 4.658 50 0 EJAARN CC(C)[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000013304460 563694184 /nfs/dbraw/zinc/69/41/84/563694184.db2.gz ITNCIGYKTVOSNI-IEBWSBKVSA-N 0 0 326.827 4.866 50 0 EJAARN CN(C(=O)c1ccccc1)c1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000013297377 563694263 /nfs/dbraw/zinc/69/42/63/563694263.db2.gz LGTJLMZPSCZBJB-UHFFFAOYSA-N 0 0 349.817 4.848 50 0 EJAARN C[C@@H]1CCc2nc(NC(=O)c3cccc(Cl)c3Cl)sc2C1 ZINC000013328020 563696034 /nfs/dbraw/zinc/69/60/34/563696034.db2.gz YHXGJFQYYXUXRW-MRVPVSSYSA-N 0 0 341.263 4.827 50 0 EJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000013329541 563696042 /nfs/dbraw/zinc/69/60/42/563696042.db2.gz MDLHMQLVNKTFKS-XHDPSFHLSA-N 0 0 332.831 4.612 50 0 EJAARN CN1N=C2c3ccccc3CC[C@@H]2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000013468634 563699106 /nfs/dbraw/zinc/69/91/06/563699106.db2.gz YFPVPRBVIUBSAI-WMZOPIPTSA-N 0 0 330.353 4.659 50 0 EJAARN O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cc2ccccc2o1 ZINC000013625661 563704269 /nfs/dbraw/zinc/70/42/69/563704269.db2.gz OMFCWSMILPDHKC-UHFFFAOYSA-N 0 0 338.794 4.540 50 0 EJAARN CCCc1nnc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)s1 ZINC000032719486 563704793 /nfs/dbraw/zinc/70/47/93/563704793.db2.gz YKKRSWOOXXGZHH-UHFFFAOYSA-N 0 0 347.440 4.611 50 0 EJAARN CC(C)(C)c1ccc(OCCNC(=O)c2c(F)cccc2Cl)cc1 ZINC000032722447 563707797 /nfs/dbraw/zinc/70/77/97/563707797.db2.gz MUZYPYJXJKOZJP-UHFFFAOYSA-N 0 0 349.833 4.585 50 0 EJAARN Clc1nc2sc3c(c2c2nc(-c4ccccc4)nn21)CCCC3 ZINC000013689760 563711657 /nfs/dbraw/zinc/71/16/57/563711657.db2.gz QFNCNYSTZBJLFA-UHFFFAOYSA-N 0 0 340.839 4.538 50 0 EJAARN Cc1cc2occ(CC(=O)N[C@H](C)c3cccnc3)c2cc1C(C)C ZINC000032731649 563712977 /nfs/dbraw/zinc/71/29/77/563712977.db2.gz ZJCRLOYPRHCZHG-OAHLLOKOSA-N 0 0 336.435 4.680 50 0 EJAARN Cc1nnc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)s1 ZINC000013746587 563720825 /nfs/dbraw/zinc/72/08/25/563720825.db2.gz FPEJILMAZPAUEZ-UHFFFAOYSA-N 0 0 344.248 4.620 50 0 EJAARN Cc1ccc(C)c(-c2nnc(NC(=O)c3ccc4ccccc4c3)o2)c1 ZINC000004479507 563729574 /nfs/dbraw/zinc/72/95/74/563729574.db2.gz KHCRWNHPJHCEAB-UHFFFAOYSA-N 0 0 343.386 4.759 50 0 EJAARN Cc1ccc(S[C@@H](C)C(=O)Nc2cccc(OC(C)C)c2)cc1 ZINC000013942012 563731781 /nfs/dbraw/zinc/73/17/81/563731781.db2.gz JNXAOBDHADIPEG-HNNXBMFYSA-N 0 0 329.465 4.902 50 0 EJAARN Cc1nc2ccccc2c(SCc2cccc(Br)c2)n1 ZINC000013942911 563731987 /nfs/dbraw/zinc/73/19/87/563731987.db2.gz PJINEBPLKOPSCR-UHFFFAOYSA-N 0 0 345.265 4.993 50 0 EJAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)n1 ZINC000013945689 563732477 /nfs/dbraw/zinc/73/24/77/563732477.db2.gz ICCPRRMRSFTEKQ-UHFFFAOYSA-N 0 0 333.435 4.865 50 0 EJAARN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCCc1cccc(F)c1 ZINC000032779708 563732861 /nfs/dbraw/zinc/73/28/61/563732861.db2.gz RHTYWCPKRMHKOF-AWEZNQCLSA-N 0 0 340.398 4.517 50 0 EJAARN CC1=C(C)[C@@H](c2c[nH]c3ccccc32)N(CCc2ccccc2)C1=O ZINC000013957618 563733178 /nfs/dbraw/zinc/73/31/78/563733178.db2.gz ILQUODJUHAGTHZ-NRFANRHFSA-N 0 0 330.431 4.630 50 0 EJAARN Cc1sc2nc(C)nc(SCc3cn4ccccc4n3)c2c1C ZINC000004491976 563733812 /nfs/dbraw/zinc/73/38/12/563733812.db2.gz JGPKBPHHDAOMRH-UHFFFAOYSA-N 0 0 340.477 4.557 50 0 EJAARN Cc1ccc(SCCC(=O)Nc2nc3ccccc3s2)cc1 ZINC000004496504 563734487 /nfs/dbraw/zinc/73/44/87/563734487.db2.gz FYMRSASOXVKMSM-UHFFFAOYSA-N 0 0 328.462 4.726 50 0 EJAARN Cc1cc(Cl)cc2sc(NC(=O)CSc3ccccc3)nc21 ZINC000004496697 563734512 /nfs/dbraw/zinc/73/45/12/563734512.db2.gz HTSVABYXKRVLAA-UHFFFAOYSA-N 0 0 348.880 4.989 50 0 EJAARN Cc1cc2nc(NC(=O)CSc3ccccc3)sc2c(C)c1 ZINC000004496696 563734522 /nfs/dbraw/zinc/73/45/22/563734522.db2.gz YKMDFSZAPNQLON-UHFFFAOYSA-N 0 0 328.462 4.644 50 0 EJAARN C[C@@H](NC(=O)N(C)Cc1ccccc1C(F)(F)F)c1ccccc1 ZINC000032794932 563735717 /nfs/dbraw/zinc/73/57/17/563735717.db2.gz UULRKCUURUAEFF-CYBMUJFWSA-N 0 0 336.357 4.608 50 0 EJAARN CCc1noc(C)c1C(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC000014019168 563735953 /nfs/dbraw/zinc/73/59/53/563735953.db2.gz NXBRYYRVVGGZSR-UHFFFAOYSA-N 0 0 347.827 4.575 50 0 EJAARN O=C(Nc1cccc2cccnc21)c1ccc(-c2ccccc2F)o1 ZINC000014125148 563743293 /nfs/dbraw/zinc/74/32/93/563743293.db2.gz IBEMTKKIOJMDFD-UHFFFAOYSA-N 0 0 332.334 4.886 50 0 EJAARN O=C(Cc1csc(-c2ccccc2)n1)Nc1cccc2cccnc21 ZINC000014137377 563744043 /nfs/dbraw/zinc/74/40/43/563744043.db2.gz BGXDHTFGQVQGGP-UHFFFAOYSA-N 0 0 345.427 4.540 50 0 EJAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1cccc(F)c1 ZINC000014138863 563744452 /nfs/dbraw/zinc/74/44/52/563744452.db2.gz QTMRJMBRYYKSGP-UHFFFAOYSA-N 0 0 344.773 4.705 50 0 EJAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccccc1F ZINC000014137769 563744457 /nfs/dbraw/zinc/74/44/57/563744457.db2.gz LNIAWEVLNJYOTH-LLVKDONJSA-N 0 0 329.400 4.660 50 0 EJAARN O=C(Cc1ccccc1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000014242163 563754319 /nfs/dbraw/zinc/75/43/19/563754319.db2.gz ZROMNJWMGYIBFX-NRFANRHFSA-N 0 0 335.834 4.788 50 0 EJAARN O=C(NCCSc1ccccc1)c1cc(Cl)ccc1Cl ZINC000014246169 563755112 /nfs/dbraw/zinc/75/51/12/563755112.db2.gz YGFYDRPIUBUYNG-UHFFFAOYSA-N 0 0 326.248 4.516 50 0 EJAARN CC(=O)c1ccc(-c2ccc(C(=O)N[C@@H]3CCc4ccccc43)o2)cc1 ZINC000032843551 563761361 /nfs/dbraw/zinc/76/13/61/563761361.db2.gz IQGBFWBXPUBTGX-LJQANCHMSA-N 0 0 345.398 4.567 50 0 EJAARN O=C(COc1ccccc1-c1ccccc1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000014598353 563761622 /nfs/dbraw/zinc/76/16/22/563761622.db2.gz DGIQSSMDGHEVFU-PZJWPPBQSA-N 0 0 349.474 4.914 50 0 EJAARN COc1ccc(CCS[C@H](C)C(=O)Nc2cc(C)ccc2C)cc1 ZINC000032854106 563763047 /nfs/dbraw/zinc/76/30/47/563763047.db2.gz MEFXNDWOXIOKHX-MRXNPFEDSA-N 0 0 343.492 4.615 50 0 EJAARN COc1ccc(CCS[C@@H](C)C(=O)Nc2cc(C)ccc2C)cc1 ZINC000032854104 563763090 /nfs/dbraw/zinc/76/30/90/563763090.db2.gz MEFXNDWOXIOKHX-INIZCTEOSA-N 0 0 343.492 4.615 50 0 EJAARN Clc1ccc2c(c1)nccc2NCc1ccccc1Cn1cccn1 ZINC000032853581 563763104 /nfs/dbraw/zinc/76/31/04/563763104.db2.gz VNDYVQGFAUVMQO-UHFFFAOYSA-N 0 0 348.837 4.745 50 0 EJAARN Cc1cc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)sc1C ZINC000032865076 563764123 /nfs/dbraw/zinc/76/41/23/563764123.db2.gz VADNTMQYNIRPQA-UHFFFAOYSA-N 0 0 329.343 4.558 50 0 EJAARN Cc1noc(C)c1CCC(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000032868904 563765685 /nfs/dbraw/zinc/76/56/85/563765685.db2.gz AXNGUANUSJPRNT-UHFFFAOYSA-N 0 0 335.407 4.606 50 0 EJAARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(Cl)nc1 ZINC000014862013 563765936 /nfs/dbraw/zinc/76/59/36/563765936.db2.gz SOXVHDWNPKVPSL-UHFFFAOYSA-N 0 0 348.793 4.531 50 0 EJAARN CC(C)n1ncc2cc(C(=O)O[C@@H](C)c3ccccc3Cl)cnc21 ZINC000032866020 563766021 /nfs/dbraw/zinc/76/60/21/563766021.db2.gz HAUODKGITPPERX-LBPRGKRZSA-N 0 0 343.814 4.584 50 0 EJAARN C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1Cl ZINC000014914715 563767327 /nfs/dbraw/zinc/76/73/27/563767327.db2.gz YXEHAXADKUQYJW-LLVKDONJSA-N 0 0 340.275 4.790 50 0 EJAARN O=C(Cc1coc2cc3c(cc12)CCC3)Nc1ccc(F)c(F)c1F ZINC000015001781 563771068 /nfs/dbraw/zinc/77/10/68/563771068.db2.gz OWEPJWNSWFNDDH-UHFFFAOYSA-N 0 0 345.320 4.520 50 0 EJAARN O=C(Nc1cccc(Cl)c1Cl)c1ccccc1OC(F)F ZINC000015010853 563771877 /nfs/dbraw/zinc/77/18/77/563771877.db2.gz ABMFCUWDSQLKPY-UHFFFAOYSA-N 0 0 332.133 4.847 50 0 EJAARN Cc1nc2scc(-c3ccccc3)c2c(Sc2nccn2C)n1 ZINC000015208619 563779995 /nfs/dbraw/zinc/77/99/95/563779995.db2.gz XMSBDEQNJDQJPZ-UHFFFAOYSA-N 0 0 338.461 4.551 50 0 EJAARN COc1ccc(N(C(=O)Nc2cccc(Cl)c2)C2=NCCC2)cc1 ZINC000004570552 563786569 /nfs/dbraw/zinc/78/65/69/563786569.db2.gz MNZGDGLNNOFWHW-UHFFFAOYSA-N 0 0 343.814 4.579 50 0 EJAARN Cn1c(/C=C/c2ccc(C(=O)c3ccccc3)o2)nc2ccccc21 ZINC000015659573 563789523 /nfs/dbraw/zinc/78/95/23/563789523.db2.gz UYWILYDLVISGSA-WYMLVPIESA-N 0 0 328.371 4.568 50 0 EJAARN CCc1nnc(CNc2cc(Cl)ccc2Oc2ccccc2)o1 ZINC000032905005 563791463 /nfs/dbraw/zinc/79/14/63/563791463.db2.gz FQFZFEWTWJSGFZ-UHFFFAOYSA-N 0 0 329.787 4.690 50 0 EJAARN Cc1nc(-c2ccccc2)sc1C(=O)N(C)[C@H]1CCc2ccccc21 ZINC000032905659 563791836 /nfs/dbraw/zinc/79/18/36/563791836.db2.gz MJLYIYWRQDWTAG-SFHVURJKSA-N 0 0 348.471 4.878 50 0 EJAARN Cc1ccc2cccc(NC(=O)c3ccc(OCC(C)C)cc3)c2n1 ZINC000015835247 563793637 /nfs/dbraw/zinc/79/36/37/563793637.db2.gz SBMDNGIYMRCVPD-UHFFFAOYSA-N 0 0 334.419 4.830 50 0 EJAARN C[C@@H]1CNc2ccccc2N(Cc2c(Cl)cccc2Cl)C1=O ZINC000015838245 563794416 /nfs/dbraw/zinc/79/44/16/563794416.db2.gz OMRUPCSNIIFGLJ-LLVKDONJSA-N 0 0 335.234 4.588 50 0 EJAARN COc1cc(Cl)cc2c1OC=CC(C(=O)Nc1ccc(C)cc1)=C2 ZINC000015838657 563794887 /nfs/dbraw/zinc/79/48/87/563794887.db2.gz ZAJYQVMIVHFEAA-UHFFFAOYSA-N 0 0 341.794 4.585 50 0 EJAARN Cc1cccc(C(=O)N[C@H](c2cccnc2)c2ccc(C)c(C)c2)c1 ZINC000015839747 563795071 /nfs/dbraw/zinc/79/50/71/563795071.db2.gz LUMDLOFWGSADQA-NRFANRHFSA-N 0 0 330.431 4.526 50 0 EJAARN CCCCOc1ccc(NC(=O)c2ccc(F)cc2)c2cccnc12 ZINC000015841070 563795730 /nfs/dbraw/zinc/79/57/30/563795730.db2.gz MBSBPYSFRPSBOI-UHFFFAOYSA-N 0 0 338.382 4.805 50 0 EJAARN CCCCOc1ccc(NC(=O)c2ccccc2F)c2cccnc12 ZINC000015841140 563795736 /nfs/dbraw/zinc/79/57/36/563795736.db2.gz FXDCOYATFCBSEK-UHFFFAOYSA-N 0 0 338.382 4.805 50 0 EJAARN CCCCCOc1ccc(C(=O)Nc2ccc3nsnc3c2)cc1 ZINC000015841223 563795765 /nfs/dbraw/zinc/79/57/65/563795765.db2.gz OOSDONOBSPAYQE-UHFFFAOYSA-N 0 0 341.436 4.513 50 0 EJAARN Cc1ccsc1[C@H]1CCCCCN1S(=O)(=O)c1ccccc1C ZINC000015866828 563797896 /nfs/dbraw/zinc/79/78/96/563797896.db2.gz ZWOTYLLVVRTDEO-MRXNPFEDSA-N 0 0 349.521 4.671 50 0 EJAARN COc1cccc(NC(=O)N2CCCCC[C@@H]2c2cccs2)c1 ZINC000015866961 563798271 /nfs/dbraw/zinc/79/82/71/563798271.db2.gz FMNVAFDAVHJWJG-MRXNPFEDSA-N 0 0 330.453 4.906 50 0 EJAARN O=C(Nc1ccc(Br)cc1)NC1CCCCCCC1 ZINC000015934157 563800459 /nfs/dbraw/zinc/80/04/59/563800459.db2.gz HXYUOCXDQUVMTI-UHFFFAOYSA-N 0 0 325.250 4.684 50 0 EJAARN Cc1cc(=O)oc2cc(NC(=O)c3cccc(Cl)c3Cl)ccc12 ZINC000015951394 563800837 /nfs/dbraw/zinc/80/08/37/563800837.db2.gz VCQHSLDIXKBEPF-UHFFFAOYSA-N 0 0 348.185 4.661 50 0 EJAARN Cc1ccc(SCCNC(=O)CCSc2ccc(C)cc2)cc1 ZINC000016310959 563808513 /nfs/dbraw/zinc/80/85/13/563808513.db2.gz JQJNUHHURNQPCA-UHFFFAOYSA-N 0 0 345.533 4.694 50 0 EJAARN C[C@@H]1c2ccsc2CCN1Cc1nnc(-c2ccccc2Cl)o1 ZINC000016420791 563810886 /nfs/dbraw/zinc/81/08/86/563810886.db2.gz JABUESSGZTZCHY-LLVKDONJSA-N 0 0 345.855 4.571 50 0 EJAARN O=C(Nc1ccc(F)c(F)c1)/C(=C/c1ccco1)c1ccccc1 ZINC000016450714 563812097 /nfs/dbraw/zinc/81/20/97/563812097.db2.gz LKZZEISAVLZJKU-FOWTUZBSSA-N 0 0 325.314 4.737 50 0 EJAARN O=C(N[C@H]1CCc2ccccc21)C1c2ccccc2Oc2ccccc21 ZINC000016471685 563812431 /nfs/dbraw/zinc/81/24/31/563812431.db2.gz GCGKSMVAEULQHJ-IBGZPJMESA-N 0 0 341.410 4.728 50 0 EJAARN C[C@@H]1C[C@H](C)CN(C(=O)CCCOc2ccc(Cl)cc2Cl)C1 ZINC000016513526 563813973 /nfs/dbraw/zinc/81/39/73/563813973.db2.gz FJCJTHYUFAKHMZ-BETUJISGSA-N 0 0 344.282 4.657 50 0 EJAARN O=C1c2ccccc2C(=O)N1[C@H](Sc1ccccc1)c1ccccc1 ZINC000145242700 563830594 /nfs/dbraw/zinc/83/05/94/563830594.db2.gz SENNFJRKWDDTQW-OAQYLSRUSA-N 0 0 345.423 4.774 50 0 EJAARN C[C@H](c1ccccc1)N1C(=S)N=NC1CSCc1ccccc1 ZINC000017071478 563834682 /nfs/dbraw/zinc/83/46/82/563834682.db2.gz YVSVSHCBILHZFQ-CQSZACIVSA-N 0 0 341.505 4.610 50 0 EJAARN Cc1ccc(-c2cc(C3N=NC(=S)N3C)c3ccccc3n2)c(C)c1 ZINC000017072155 563835730 /nfs/dbraw/zinc/83/57/30/563835730.db2.gz CLEIWLLPYJBIIF-UHFFFAOYSA-N 0 0 346.459 4.603 50 0 EJAARN Cc1nn(C)c2nc(C34CC5CC(CC(C5)C3)C4)cc(C(F)(F)F)c12 ZINC000017072550 563836062 /nfs/dbraw/zinc/83/60/62/563836062.db2.gz XFVGXKVQCKDHPZ-UHFFFAOYSA-N 0 0 349.400 4.763 50 0 EJAARN Cc1cc(C)cc(Nc2ncnc3c2cnn3-c2ccc(C)c(C)c2)c1 ZINC000017120432 563837259 /nfs/dbraw/zinc/83/72/59/563837259.db2.gz AYRPVFMJPPDTMZ-UHFFFAOYSA-N 0 0 343.434 4.793 50 0 EJAARN Cc1cc2[nH]c(=NC(=O)Nc3ccc(Cl)cc3)sc2cc1C ZINC000017123806 563837740 /nfs/dbraw/zinc/83/77/40/563837740.db2.gz RKZFWZIHNABMML-UHFFFAOYSA-N 0 0 331.828 4.632 50 0 EJAARN Cc1ccc(NC(=O)Nc2nnc(-c3ccccc3F)s2)cc1C ZINC000017146241 563838445 /nfs/dbraw/zinc/83/84/45/563838445.db2.gz XJIVMPUZBJOAHK-UHFFFAOYSA-N 0 0 342.399 4.605 50 0 EJAARN CCOc1ccccc1[C@H]1SCC(=O)N1c1ccc(C(C)C)cc1 ZINC000017198546 563840612 /nfs/dbraw/zinc/84/06/12/563840612.db2.gz UPFPFYGYGTVSLA-HXUWFJFHSA-N 0 0 341.476 4.987 50 0 EJAARN COc1cccc(C(=O)Nc2ccc(OCc3cccs3)cc2)c1 ZINC000032930526 563840951 /nfs/dbraw/zinc/84/09/51/563840951.db2.gz PDMUUEUDPZNIQJ-UHFFFAOYSA-N 0 0 339.416 4.588 50 0 EJAARN FC(F)(F)c1ccc2nnc(S[C@@H]3CCCc4ccccc43)n2c1 ZINC000032931649 563841979 /nfs/dbraw/zinc/84/19/79/563841979.db2.gz JGFWMLDESYCQCP-CQSZACIVSA-N 0 0 349.381 4.918 50 0 EJAARN O=C(NCc1ccccc1)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000032935970 563845112 /nfs/dbraw/zinc/84/51/12/563845112.db2.gz XLCFJLQGIAIPHS-LJQANCHMSA-N 0 0 326.415 4.556 50 0 EJAARN CCCCSc1nc2c(c(=O)[nH]1)C1(CCCC1)Cc1ccccc1-2 ZINC000018115239 563848909 /nfs/dbraw/zinc/84/89/09/563848909.db2.gz ROYHJSQMYPUXNV-UHFFFAOYSA-N 0 0 340.492 4.697 50 0 biogenic EJAARN COc1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1 ZINC000018218067 563851340 /nfs/dbraw/zinc/85/13/40/563851340.db2.gz DXQIHTMNHOKVRX-UHFFFAOYSA-N 0 0 343.386 4.755 50 0 EJAARN CCCC(=O)Nc1c2c(nc3ccccc31)N(Cc1ccccc1)CC2 ZINC000018324917 563852356 /nfs/dbraw/zinc/85/23/56/563852356.db2.gz SJWCAMAMJFRBHY-UHFFFAOYSA-N 0 0 345.446 4.536 50 0 EJAARN Cc1ccc(SCC(=O)N2CCSc3ccccc32)cc1C ZINC000019530475 563856259 /nfs/dbraw/zinc/85/62/59/563856259.db2.gz TVHNHCDFMGQITK-UHFFFAOYSA-N 0 0 329.490 4.534 50 0 EJAARN C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCCc2ccccc21 ZINC000023693615 563867226 /nfs/dbraw/zinc/86/72/26/563867226.db2.gz PATBHJBSHWQEFQ-ZDUSSCGKSA-N 0 0 339.826 4.904 50 0 EJAARN Cc1cc(C(=O)N[C@@H](C)c2ccccc2Br)sc1C ZINC000024018210 563868135 /nfs/dbraw/zinc/86/81/35/563868135.db2.gz VVYBBKPUIWTPOT-JTQLQIEISA-N 0 0 338.270 4.618 50 0 EJAARN O=C(CSCCC12CC3CC(CC(C3)C1)C2)NCc1cccs1 ZINC000024073082 563869005 /nfs/dbraw/zinc/86/90/05/563869005.db2.gz OOUSRVQLHAEEHC-UHFFFAOYSA-N 0 0 349.565 4.704 50 0 EJAARN Cc1ccc(CN(C)C(=O)c2ccc(-c3ccc(Cl)cc3)o2)o1 ZINC000024274948 563870221 /nfs/dbraw/zinc/87/02/21/563870221.db2.gz VQMCJDDZOHRFKB-UHFFFAOYSA-N 0 0 329.783 4.774 50 0 EJAARN Cc1ccc(-n2cnnc2SCc2ccc(F)cc2Cl)c(C)c1 ZINC000024305083 563870308 /nfs/dbraw/zinc/87/03/08/563870308.db2.gz PPNIZXCVLSIIAT-UHFFFAOYSA-N 0 0 347.846 4.969 50 0 EJAARN CC(=O)Nc1cc(NCc2c(C)cc(C)c(C(C)=O)c2C)ccc1F ZINC000024368117 563871097 /nfs/dbraw/zinc/87/10/97/563871097.db2.gz INWKHAVXTMBPGE-UHFFFAOYSA-N 0 0 342.414 4.524 50 0 EJAARN CC[C@@H](C)C(=O)NC[C@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000024435364 563871408 /nfs/dbraw/zinc/87/14/08/563871408.db2.gz HKKASRKKTLCNPJ-CJNGLKHVSA-N 0 0 326.465 4.524 50 0 EJAARN CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1cc(C)nc(C)n1 ZINC000024568468 563872524 /nfs/dbraw/zinc/87/25/24/563872524.db2.gz HPDBFDQHEVZQMD-TZMCWYRMSA-N 0 0 343.496 4.726 50 0 EJAARN O=C(CCc1ccco1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000024829452 563876237 /nfs/dbraw/zinc/87/62/37/563876237.db2.gz NSLYHEATCXBMBE-UHFFFAOYSA-N 0 0 332.359 4.659 50 0 EJAARN CCc1ccc(-c2noc(CN[C@@H](c3ccccc3)C(C)C)n2)cc1 ZINC000024982050 563878924 /nfs/dbraw/zinc/87/89/24/563878924.db2.gz YMXYWGQRZNHGDI-HXUWFJFHSA-N 0 0 335.451 4.786 50 0 EJAARN CN(Cc1cccc(Cl)c1)C(=O)Nc1ccccc1N1CCCC1 ZINC000043485951 563884413 /nfs/dbraw/zinc/88/44/13/563884413.db2.gz JVPJLPCCAXFCAI-UHFFFAOYSA-N 0 0 343.858 4.604 50 0 EJAARN O=C(CCc1c[nH]c2ccccc12)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000025535013 563885711 /nfs/dbraw/zinc/88/57/11/563885711.db2.gz KDROTUYMCYBIEZ-HXUWFJFHSA-N 0 0 336.410 4.603 50 0 EJAARN CN(CC(=O)c1c[nH]c2ccccc12)Cc1ccc2ccccc2c1 ZINC000025679423 563887327 /nfs/dbraw/zinc/88/73/27/563887327.db2.gz PBSOJECBAHLJDJ-UHFFFAOYSA-N 0 0 328.415 4.636 50 0 EJAARN ON1c2cc(Cl)c(Cl)cc2NN=C1c1ccccc1Cl ZINC000025759464 563888050 /nfs/dbraw/zinc/88/80/50/563888050.db2.gz NRZPMZMBKKPIFM-UHFFFAOYSA-N 0 0 328.586 4.630 50 0 EJAARN Fc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccco3)=NN21 ZINC000025762888 563888358 /nfs/dbraw/zinc/88/83/58/563888358.db2.gz ZOVRBHYAISZQDK-XLIONFOSSA-N 0 0 334.350 4.661 50 0 EJAARN Cc1ccc(-c2nnc(CN[C@@H](C)c3ccccc3Cl)o2)cc1 ZINC000025919710 563889212 /nfs/dbraw/zinc/88/92/12/563889212.db2.gz NTDCWOHTXKCWQU-ZDUSSCGKSA-N 0 0 327.815 4.549 50 0 EJAARN C[C@@H](N[C@@H](C)c1ccccc1Cl)c1nnc(-c2ccccc2)o1 ZINC000026362661 563891046 /nfs/dbraw/zinc/89/10/46/563891046.db2.gz SJLYNPRQXHSQDD-QWHCGFSZSA-N 0 0 327.815 4.802 50 0 EJAARN C[C@@H](NCc1nnc(-c2ccccc2Cl)o1)c1ccc(Cl)cc1 ZINC000026861024 563893465 /nfs/dbraw/zinc/89/34/65/563893465.db2.gz UPNRIPFRYLWVIR-LLVKDONJSA-N 0 0 348.233 4.894 50 0 EJAARN Cc1nc2cc(NC(=O)CSCc3cccc(Cl)c3)ccc2o1 ZINC000027013257 563894380 /nfs/dbraw/zinc/89/43/80/563894380.db2.gz JCDCGJXOTURVQI-UHFFFAOYSA-N 0 0 346.839 4.662 50 0 EJAARN C[C@H](Sc1cc(F)ccc1F)C(=O)Nc1cccc2ncccc21 ZINC000026997015 563894384 /nfs/dbraw/zinc/89/43/84/563894384.db2.gz CNOLANNRVPSENQ-NSHDSACASA-N 0 0 344.386 4.632 50 0 EJAARN Nc1c2ccc(-c3cccs3)nc2sc1C(=O)c1ccccc1 ZINC000027084333 563894552 /nfs/dbraw/zinc/89/45/52/563894552.db2.gz VLMPYPADLAKYNQ-UHFFFAOYSA-N 0 0 336.441 4.838 50 0 EJAARN COc1cccc(CCC(=O)N[C@@H](C)c2cccc3ccccc32)c1 ZINC000027103229 563894579 /nfs/dbraw/zinc/89/45/79/563894579.db2.gz YXRNRSMLSACIFH-INIZCTEOSA-N 0 0 333.431 4.658 50 0 EJAARN Cc1cc(C(=O)Nc2ccc(Cl)cc2C)c(C)n1CC(F)(F)F ZINC000027152486 563894857 /nfs/dbraw/zinc/89/48/57/563894857.db2.gz PKJASLOZFUHRCS-UHFFFAOYSA-N 0 0 344.764 4.881 50 0 EJAARN Cc1ccc2nnc(-c3ccccc3)c(C(=O)NC3CCCCC3)c2c1 ZINC000032953282 563895057 /nfs/dbraw/zinc/89/50/57/563895057.db2.gz KGDWXECVNLJBEN-UHFFFAOYSA-N 0 0 345.446 4.668 50 0 EJAARN O=C(Nc1ccc(F)cc1)N(CCc1ccccc1F)C1CCCC1 ZINC000072270832 563895790 /nfs/dbraw/zinc/89/57/90/563895790.db2.gz MJJPAZGCKZLOKQ-UHFFFAOYSA-N 0 0 344.405 4.984 50 0 EJAARN COc1ccc(NC(=O)N(CCc2ccccc2)C2CCCC2)cc1 ZINC000072270830 563895877 /nfs/dbraw/zinc/89/58/77/563895877.db2.gz ROKLBDNMONYTIR-UHFFFAOYSA-N 0 0 338.451 4.714 50 0 EJAARN Cc1cc2oc(C(=O)Nc3cccc4ccccc43)cc(=O)c2cc1C ZINC000027664615 563898812 /nfs/dbraw/zinc/89/88/12/563898812.db2.gz FJVAQSHGYFVISE-UHFFFAOYSA-N 0 0 343.382 4.815 50 0 EJAARN COc1ccc(N(Cc2ccco2)C(=O)/C=C/c2ccccc2)cc1 ZINC000027795661 563899770 /nfs/dbraw/zinc/89/97/70/563899770.db2.gz WXBLEAYYCWGVMT-NTEUORMPSA-N 0 0 333.387 4.535 50 0 EJAARN Cc1ccc(-c2cc(C(=O)Nc3nc4ccccc4s3)no2)cc1C ZINC000027990110 563900870 /nfs/dbraw/zinc/90/08/70/563900870.db2.gz HEJVJLKLVLESRC-UHFFFAOYSA-N 0 0 349.415 4.820 50 0 EJAARN Cc1ccccc1[C@H](Sc1ncnc2c1cnn2C)c1ccccc1 ZINC000028190223 563901509 /nfs/dbraw/zinc/90/15/09/563901509.db2.gz NVDFZUHLPHCKSX-GOSISDBHSA-N 0 0 346.459 4.553 50 0 EJAARN CCOc1ccc2oc(C(=O)N[C@@H]3CCCc4ccccc43)c(C)c2c1 ZINC000032958334 563903096 /nfs/dbraw/zinc/90/30/96/563903096.db2.gz LJACCWHVYAENKJ-LJQANCHMSA-N 0 0 349.430 4.947 50 0 EJAARN CCOc1ccc(C(C)=O)cc1CN1c2cccc3cccc(c23)C1=O ZINC000028914542 563904676 /nfs/dbraw/zinc/90/46/76/563904676.db2.gz QGKABWXACIAMNN-UHFFFAOYSA-N 0 0 345.398 4.602 50 0 EJAARN Cc1nc2ccccc2nc1S[C@@H](C)C(=O)c1c[nH]c2ccccc21 ZINC000029282957 563905388 /nfs/dbraw/zinc/90/53/88/563905388.db2.gz RNAAMWVZTYNFDK-ZDUSSCGKSA-N 0 0 347.443 4.783 50 0 EJAARN CN(Cc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CCc2ccccc21 ZINC000029486836 563906782 /nfs/dbraw/zinc/90/67/82/563906782.db2.gz FZINIYDUDKRNLP-QGZVFWFLSA-N 0 0 339.826 4.509 50 0 EJAARN CC(C)(C)c1ccc2cc(C(=O)N3CCC[C@H]3c3ccncc3)[nH]c2c1 ZINC000029789863 563908520 /nfs/dbraw/zinc/90/85/20/563908520.db2.gz VFWWZSMJMMOBBA-FQEVSTJZSA-N 0 0 347.462 4.838 50 0 EJAARN CC(C)(C)c1ccc(O)c(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)c1 ZINC000029769628 563908534 /nfs/dbraw/zinc/90/85/34/563908534.db2.gz ASCKWMPNEOVZJB-JKSUJKDBSA-N 0 0 327.399 4.571 50 0 EJAARN C[C@@H]1Cc2ccc(F)cc2CN1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000072291976 563909349 /nfs/dbraw/zinc/90/93/49/563909349.db2.gz WKMGLPYBNDZNHO-SNVBAGLBSA-N 0 0 336.769 4.597 50 0 EJAARN Cc1ccc(C(=O)[C@@H](Sc2cnccn2)c2ccc(C)cc2)cc1 ZINC000072298276 563912271 /nfs/dbraw/zinc/91/22/71/563912271.db2.gz IYJMEZALYPUXBW-FQEVSTJZSA-N 0 0 334.444 4.810 50 0 EJAARN O=C(CC1CCCC1)Nc1ccc(CCc2nc3ccccc3[nH]2)cc1 ZINC000032960659 563916648 /nfs/dbraw/zinc/91/66/48/563916648.db2.gz UDLHTKSJEGROLI-UHFFFAOYSA-N 0 0 347.462 4.867 50 0 EJAARN O=C(Nc1ccc(CCc2nc3ccccc3[nH]2)cc1)c1cccs1 ZINC000032960640 563916661 /nfs/dbraw/zinc/91/66/61/563916661.db2.gz HLGKBTKRDKVDSU-UHFFFAOYSA-N 0 0 347.443 4.662 50 0 EJAARN O=C(Nc1ccc(CCc2nc3ccccc3[nH]2)cc1)C1CCCCC1 ZINC000032960650 563916687 /nfs/dbraw/zinc/91/66/87/563916687.db2.gz FIVLKZGYEXCLEB-UHFFFAOYSA-N 0 0 347.462 4.867 50 0 EJAARN C[C@@H](Oc1ccc(Cl)cc1Cl)c1nc(-c2cccnc2)no1 ZINC000000070461 563916919 /nfs/dbraw/zinc/91/69/19/563916919.db2.gz VTJZSCNCVNAMGJ-SECBINFHSA-N 0 0 336.178 4.578 50 0 EJAARN Cc1ccc2nc(C)cc(C(=O)N[C@H](C)CCc3ccccc3)c2c1 ZINC000032961502 563916931 /nfs/dbraw/zinc/91/69/31/563916931.db2.gz PUIBVFISYSRTDM-MRXNPFEDSA-N 0 0 332.447 4.603 50 0 EJAARN CCOc1ccc(-c2csc(NC(=O)Nc3ccccc3)n2)cc1 ZINC000000143326 563916959 /nfs/dbraw/zinc/91/69/59/563916959.db2.gz QLRLSQABRJKOMQ-UHFFFAOYSA-N 0 0 339.420 4.853 50 0 EJAARN O=C1C[C@@H](c2ccccc2)CCc2sc(Br)cc2N1 ZINC000000291804 563917264 /nfs/dbraw/zinc/91/72/64/563917264.db2.gz KCEFDBWUOXNUPM-NSHDSACASA-N 0 0 336.254 4.569 50 0 EJAARN O=c1c2ccccc2ncn1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000000303112 563917303 /nfs/dbraw/zinc/91/73/03/563917303.db2.gz FXRPXEAMCNBNLW-UHFFFAOYSA-N 0 0 348.789 4.831 50 0 EJAARN O[C@@H](COc1ccc(Cl)cc1)CSCc1ccc(Cl)cc1 ZINC000000300432 563917304 /nfs/dbraw/zinc/91/73/04/563917304.db2.gz KGCRSQDWRXBLBW-HNNXBMFYSA-N 0 0 343.275 4.667 50 0 EJAARN CCc1ccc(OCC(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000000317716 563917313 /nfs/dbraw/zinc/91/73/13/563917313.db2.gz IKLCHYZQALNBDF-UHFFFAOYSA-N 0 0 331.415 4.934 50 0 EJAARN O=C(Nc1ccc(Cl)cc1)N1C[C@@H](c2ccc(Cl)cc2)CC1=O ZINC000000435548 563917456 /nfs/dbraw/zinc/91/74/56/563917456.db2.gz IOZXNQQOZUNCNP-LBPRGKRZSA-N 0 0 349.217 4.541 50 0 EJAARN CCc1ccc2oc(-c3cccc(NC(=O)c4ccco4)c3)nc2c1 ZINC000001208938 563917796 /nfs/dbraw/zinc/91/77/96/563917796.db2.gz VGISIVUXSHFHFB-UHFFFAOYSA-N 0 0 332.359 4.903 50 0 EJAARN CC(=O)c1c(NCc2ccccc2)nc(-c2ccccc2)[nH]c1=S ZINC000023115532 563918813 /nfs/dbraw/zinc/91/88/13/563918813.db2.gz ZXFBXDAZAVNXJJ-UHFFFAOYSA-N 0 0 335.432 4.621 50 0 EJAARN Clc1ncc(-c2cc(-c3ccccc3)nc(Cl)n2)c(Cl)n1 ZINC000003179319 563918821 /nfs/dbraw/zinc/91/88/21/563918821.db2.gz DQZUCPZMJBKOIU-UHFFFAOYSA-N 0 0 337.597 4.561 50 0 EJAARN CCN1C(=O)S/C(=C/c2ccc(Sc3ccc(C)cc3)o2)C1=O ZINC000004917323 563919020 /nfs/dbraw/zinc/91/90/20/563919020.db2.gz VJADXUOMXJIULT-GXDHUFHOSA-N 0 0 345.445 4.795 50 0 EJAARN Cc1ccc(-c2cnoc2NC(=O)CSC2CCCCC2)cc1 ZINC000032984871 563920625 /nfs/dbraw/zinc/92/06/25/563920625.db2.gz AZEXEDABBNHDLT-UHFFFAOYSA-N 0 0 330.453 4.654 50 0 EJAARN CCCCCCOc1ccc(C(=O)CCCCC(=O)OCC)cc1 ZINC000043214345 563925495 /nfs/dbraw/zinc/92/54/95/563925495.db2.gz KIOKHXNDOWXDPW-UHFFFAOYSA-N 0 0 334.456 4.952 50 0 EJAARN CCOC(=O)CCCCCCC(=O)c1ccc(N(CC)CC)cc1 ZINC000043214363 563925516 /nfs/dbraw/zinc/92/55/16/563925516.db2.gz DZPAXVHDRDSEMM-UHFFFAOYSA-N 0 0 333.472 4.619 50 0 EJAARN CCCCC(=O)Nc1ccccc1-c1nc(-c2ccc(C)cc2)no1 ZINC000033012666 563925635 /nfs/dbraw/zinc/92/56/35/563925635.db2.gz IKRQVNPEMNSGRL-UHFFFAOYSA-N 0 0 335.407 4.841 50 0 EJAARN OC(c1ccccc1)(c1ccccc1)c1ccccc1Br ZINC000044123057 563926178 /nfs/dbraw/zinc/92/61/78/563926178.db2.gz YAGRKBUHJZBWKN-UHFFFAOYSA-N 0 0 339.232 4.733 50 0 EJAARN O=C(CCC(=O)N(c1ccccc1)c1ccccc1)Nc1ccccc1 ZINC000004599976 563926392 /nfs/dbraw/zinc/92/63/92/563926392.db2.gz JWTQTXGTHPJZHG-UHFFFAOYSA-N 0 0 344.414 4.770 50 0 EJAARN CCc1cccc(C)c1NC(=S)N1CCCC[C@H]1c1cccnc1 ZINC000013635171 563930928 /nfs/dbraw/zinc/93/09/28/563930928.db2.gz DLAVOLMRESVKFN-SFHVURJKSA-N 0 0 339.508 4.876 50 0 biogenic EJAARN CCCCSc1nnc([C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)o1 ZINC000013748489 563932618 /nfs/dbraw/zinc/93/26/18/563932618.db2.gz ZHJGYUQGJGCFPG-RYUDHWBXSA-N 0 0 343.493 4.574 50 0 EJAARN CCC(CC)n1nc(C)cc1NC(=O)c1ccc([C@H]2CCCO2)s1 ZINC000055211128 563934016 /nfs/dbraw/zinc/93/40/16/563934016.db2.gz NGHCILXIPURJRL-CQSZACIVSA-N 0 0 347.484 4.718 50 0 EJAARN CC(C)c1noc([C@H](C)N2Cc3ccccc3-c3ccccc3C2)n1 ZINC000060361405 563935440 /nfs/dbraw/zinc/93/54/40/563935440.db2.gz WXWXZRROWURZIM-HNNXBMFYSA-N 0 0 333.435 4.937 50 0 EJAARN C[C@H](SC(c1ccccc1)c1ccccc1)C(=O)NC(C)(C)C ZINC000058017886 563936734 /nfs/dbraw/zinc/93/67/34/563936734.db2.gz PLKMMNCJGRKCRX-HNNXBMFYSA-N 0 0 327.493 4.812 50 0 EJAARN O=[S@](CCCOc1ccc(F)cc1)Cc1cccc2ccccc21 ZINC000058132367 563937636 /nfs/dbraw/zinc/93/76/36/563937636.db2.gz NLPCAHOKDQEQKW-DEOSSOPVSA-N 0 0 342.435 4.697 50 0 EJAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(CC(C)C)C(C)C ZINC000058162565 563938515 /nfs/dbraw/zinc/93/85/15/563938515.db2.gz BMXUYDGDZGRWMC-UHFFFAOYSA-N 0 0 334.460 4.764 50 0 EJAARN C[C@H](NCc1ccccc1Cl)C(=O)Nc1ccc2ccccc2c1 ZINC000058165429 563938642 /nfs/dbraw/zinc/93/86/42/563938642.db2.gz YAGJQDSXUFHQRQ-AWEZNQCLSA-N 0 0 338.838 4.610 50 0 EJAARN C[C@@H](NCc1ccccc1Cl)C(=O)Nc1ccc2ccccc2c1 ZINC000058165430 563938665 /nfs/dbraw/zinc/93/86/65/563938665.db2.gz YAGJQDSXUFHQRQ-CQSZACIVSA-N 0 0 338.838 4.610 50 0 EJAARN CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccccc2OC(F)(F)F)C1(C)C ZINC000058166917 563938724 /nfs/dbraw/zinc/93/87/24/563938724.db2.gz HNEGKRNQEYRTHI-FZMZJTMJSA-N 0 0 327.346 4.762 50 0 EJAARN CS[C@@H](C)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1C ZINC000058167862 563938833 /nfs/dbraw/zinc/93/88/33/563938833.db2.gz YKGDLDLTQPUKIA-NSHDSACASA-N 0 0 338.523 4.601 50 0 EJAARN CS[C@H](C)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1C ZINC000058167861 563938864 /nfs/dbraw/zinc/93/88/64/563938864.db2.gz YKGDLDLTQPUKIA-LLVKDONJSA-N 0 0 338.523 4.601 50 0 EJAARN Cc1ccsc1C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000058194961 563939486 /nfs/dbraw/zinc/93/94/86/563939486.db2.gz SIVXBYKYXZZBRK-UHFFFAOYSA-N 0 0 342.445 4.623 50 0 EJAARN O=C(Cc1cccc2ccccc21)NCC1(c2ccccc2)CCC1 ZINC000011177891 563941865 /nfs/dbraw/zinc/94/18/65/563941865.db2.gz HCLYVIVSHNTLTC-UHFFFAOYSA-N 0 0 329.443 4.620 50 0 EJAARN O=C(Nc1ccc(F)c(F)c1F)N1CCCC[C@H]1Cc1ccccc1 ZINC000058315137 563942411 /nfs/dbraw/zinc/94/24/11/563942411.db2.gz AQRVQMRYUOXALD-AWEZNQCLSA-N 0 0 348.368 4.733 50 0 EJAARN Cc1c2ccccc2sc1C(=O)N(C)c1cc(-c2ccccc2)[nH]n1 ZINC000058329923 563942727 /nfs/dbraw/zinc/94/27/27/563942727.db2.gz DIJILKHDOGJTCV-UHFFFAOYSA-N 0 0 347.443 4.876 50 0 EJAARN C[C@@H]1c2ccsc2CCN1C(=O)c1c(Cl)c2ccccc2n1C ZINC000058345183 563943220 /nfs/dbraw/zinc/94/32/20/563943220.db2.gz JKKIMGOZXOBEOU-LLVKDONJSA-N 0 0 344.867 4.653 50 0 EJAARN O=C(CCc1ccc2ccccc2c1)Nc1nc(-c2ccc[nH]2)cs1 ZINC000058356399 563943420 /nfs/dbraw/zinc/94/34/20/563943420.db2.gz ZMLNCXOPLNDULZ-UHFFFAOYSA-N 0 0 347.443 4.863 50 0 EJAARN CC(C)(C)n1nc(C(=O)Nc2cccc3c2CCCC3)cc1C1CC1 ZINC000058365320 563943805 /nfs/dbraw/zinc/94/38/05/563943805.db2.gz JAMYCWIVJIOEIQ-UHFFFAOYSA-N 0 0 337.467 4.647 50 0 EJAARN Cc1cc(C)cc(N(C)C(=O)c2cc(C3CC3)nn2-c2ccccc2)c1 ZINC000058377970 563944236 /nfs/dbraw/zinc/94/42/36/563944236.db2.gz KLAGDKIVXDWABC-UHFFFAOYSA-N 0 0 345.446 4.643 50 0 EJAARN FC(F)(F)c1nc2ccccc2n1Cc1csc(-c2ccco2)n1 ZINC000058407040 563945185 /nfs/dbraw/zinc/94/51/85/563945185.db2.gz CACTVLUMTQDMPT-UHFFFAOYSA-N 0 0 349.337 4.820 50 0 EJAARN Cc1ccc(CN(Cc2ccco2)C(=O)c2ccc(C)c(F)c2)s1 ZINC000058423634 563945913 /nfs/dbraw/zinc/94/59/13/563945913.db2.gz AOWBAZPVMBAGSK-UHFFFAOYSA-N 0 0 343.423 4.940 50 0 EJAARN COc1ccc2c(c1)CCN2C(=O)N[C@@H](c1ccccc1)C(C)(C)C ZINC000058439545 563946472 /nfs/dbraw/zinc/94/64/72/563946472.db2.gz IWKSNMDIFJWUMC-IBGZPJMESA-N 0 0 338.451 4.555 50 0 EJAARN O=C(c1ccc(F)cc1)c1ccc(Oc2cnc3ccccc3n2)cc1 ZINC000058583111 563946825 /nfs/dbraw/zinc/94/68/25/563946825.db2.gz JFNUSYDNATZQHP-UHFFFAOYSA-N 0 0 344.345 4.792 50 0 EJAARN O=C(Cc1ccc(-c2ccccc2)cc1)NCc1cc2ccccc2[nH]1 ZINC000058903246 563947361 /nfs/dbraw/zinc/94/73/61/563947361.db2.gz WYYAHWDHHRLJBV-UHFFFAOYSA-N 0 0 340.426 4.694 50 0 EJAARN Cc1cc(NC(=O)c2cc(Cl)cc3cccnc32)ccc1N(C)C ZINC000059748437 563949310 /nfs/dbraw/zinc/94/93/10/563949310.db2.gz QJDWNTIMFWKLRL-UHFFFAOYSA-N 0 0 339.826 4.515 50 0 EJAARN Cc1csc(-c2cccc(C(=O)Nc3ccc(F)c(F)c3F)c2)n1 ZINC000096471487 563954666 /nfs/dbraw/zinc/95/46/66/563954666.db2.gz VKPHXGFABDJASF-UHFFFAOYSA-N 0 0 348.349 4.788 50 0 EJAARN CCOc1ccc(CN2CCC[C@@H]2c2cc(C(C)C)no2)cc1OC ZINC000064667134 563957013 /nfs/dbraw/zinc/95/70/13/563957013.db2.gz SNYVPOZULOPFAW-QGZVFWFLSA-N 0 0 344.455 4.542 50 0 EJAARN CCc1ccc(NC(=O)N2CCC[C@H]2c2cc(C(C)C)on2)cc1 ZINC000064984571 563957681 /nfs/dbraw/zinc/95/76/81/563957681.db2.gz QYHAEQYQYKQDRF-KRWDZBQOSA-N 0 0 327.428 4.729 50 0 EJAARN CCc1ccc(NC(=O)N2CCC[C@H]2c2cc(C(C)C)no2)cc1 ZINC000064984999 563957810 /nfs/dbraw/zinc/95/78/10/563957810.db2.gz PZHLVQHPONWFGW-KRWDZBQOSA-N 0 0 327.428 4.729 50 0 EJAARN CCc1ccc(NC(=O)Nc2ccc(Nc3ccc(C)nn3)cc2)cc1 ZINC000065362032 563958180 /nfs/dbraw/zinc/95/81/80/563958180.db2.gz NUVURHMURNIWAD-UHFFFAOYSA-N 0 0 347.422 4.735 50 0 EJAARN CCCc1c(-c2ccccc2)ncn1Cc1cc(-c2ccco2)on1 ZINC000065366258 563958272 /nfs/dbraw/zinc/95/82/72/563958272.db2.gz UEGDHMLQDIYDAE-UHFFFAOYSA-N 0 0 333.391 4.799 50 0 EJAARN C[C@@H](c1ccc(O)cc1)n1cnc(-c2ccccc2)c1-c1cccnc1 ZINC000065371908 563958458 /nfs/dbraw/zinc/95/84/58/563958458.db2.gz MBWXXIDDTCFBRH-INIZCTEOSA-N 0 0 341.414 4.927 50 0 EJAARN CCCCC(=O)Nc1ccc2nc(N3CCC(C)CC3)cc(C)c2c1 ZINC000033084729 563963448 /nfs/dbraw/zinc/96/34/48/563963448.db2.gz JCDVWLYMWHDULX-UHFFFAOYSA-N 0 0 339.483 4.908 50 0 EJAARN CC(C)Cn1cc(/C=C2\SC(=O)N(C(C)C)C2=O)c2ccccc21 ZINC000004675777 563963665 /nfs/dbraw/zinc/96/36/65/563963665.db2.gz CXGDTHPKTIDOHG-MFOYZWKCSA-N 0 0 342.464 4.742 50 0 EJAARN Clc1ccc(COc2ccc(I)cc2)cc1 ZINC000070130651 563963879 /nfs/dbraw/zinc/96/38/79/563963879.db2.gz XSCFEVMHPPUWIC-UHFFFAOYSA-N 0 0 344.579 4.524 50 0 EJAARN Cc1[nH]c(-c2ccc(C)c(C)c2)cc1C(=O)N(C)Cc1ccccc1 ZINC000033139624 563963883 /nfs/dbraw/zinc/96/38/83/563963883.db2.gz ZBLKLASYRYASHH-UHFFFAOYSA-N 0 0 332.447 4.879 50 0 EJAARN COc1ccccc1-c1ccnc2c(-c3ccc(Cl)cc3)cnn21 ZINC000071385341 563964271 /nfs/dbraw/zinc/96/42/71/563964271.db2.gz QGTRGTZRYDJPQQ-UHFFFAOYSA-N 0 0 335.794 4.725 50 0 EJAARN Cc1cc(C(=O)N(c2ccc(Nc3ccccc3)cc2)C(C)C)on1 ZINC000060542903 563964872 /nfs/dbraw/zinc/96/48/72/563964872.db2.gz OESCTVZQBMKMJF-UHFFFAOYSA-N 0 0 335.407 4.782 50 0 EJAARN CC(C)c1nc(Cn2ccnc2-c2cccc3cnccc32)cs1 ZINC000071761456 563965397 /nfs/dbraw/zinc/96/53/97/563965397.db2.gz PWCUMAZUFZYVJK-UHFFFAOYSA-N 0 0 334.448 4.727 50 0 EJAARN O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1cccs1 ZINC000071763154 563965442 /nfs/dbraw/zinc/96/54/42/563965442.db2.gz ADKAIZBNNFWVTM-QGZVFWFLSA-N 0 0 343.835 4.736 50 0 EJAARN O=C(Nc1ccc2oc(C3CC3)nc2c1)c1ccccc1C(F)(F)F ZINC000033214929 563965850 /nfs/dbraw/zinc/96/58/50/563965850.db2.gz ODRJINRABXHYFR-UHFFFAOYSA-N 0 0 346.308 4.976 50 0 EJAARN CC[C@H](C)NC(=O)Nc1cccc(-c2noc(C3CCCCC3)n2)c1 ZINC000033257510 563966207 /nfs/dbraw/zinc/96/62/07/563966207.db2.gz NIHOWSWWEHMXIK-ZDUSSCGKSA-N 0 0 342.443 4.704 50 0 EJAARN Cc1nc(-c2ccc(NC(=O)Nc3cccc4c3CCCC4)cc2)no1 ZINC000033257394 563966217 /nfs/dbraw/zinc/96/62/17/563966217.db2.gz UFYLDIYAPMYNMR-UHFFFAOYSA-N 0 0 348.406 4.568 50 0 EJAARN O[C@@](c1ccccc1)(c1ccccn1)c1ccc2c3c(cccc31)CC2 ZINC000004728678 563966488 /nfs/dbraw/zinc/96/64/88/563966488.db2.gz KTNCZDQYFFALDU-XMMPIXPASA-N 0 0 337.422 4.618 50 0 EJAARN Cc1ccc(-c2ncc(CNc3ccnn3[C@@H](C)C3CC3)s2)cc1 ZINC000097002080 563966611 /nfs/dbraw/zinc/96/66/11/563966611.db2.gz MAIRQKNLJIZIRY-AWEZNQCLSA-N 0 0 338.480 4.898 50 0 EJAARN Cc1nc2c(nc(Nc3ccc(C)cc3)nc2C)n1-c1ccc(C)cc1 ZINC000033268316 563967358 /nfs/dbraw/zinc/96/73/58/563967358.db2.gz CPMMBTKAFCTSLG-UHFFFAOYSA-N 0 0 343.434 4.793 50 0 EJAARN O=C(c1cccs1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000000033587 563967795 /nfs/dbraw/zinc/96/77/95/563967795.db2.gz YAGGYNREDSJREN-UHFFFAOYSA-N 0 0 330.412 4.832 50 0 EJAARN Brc1cccc(NCc2cccc(-c3cccnc3)c2)n1 ZINC000097162778 563968445 /nfs/dbraw/zinc/96/84/45/563968445.db2.gz TUUUSBYEJDHNFS-UHFFFAOYSA-N 0 0 340.224 4.518 50 0 EJAARN CN(Cc1cccc2cnccc21)C(=O)c1ccccc1C(F)(F)F ZINC000077564312 563970356 /nfs/dbraw/zinc/97/03/56/563970356.db2.gz CUVINPVYPWKTLH-UHFFFAOYSA-N 0 0 344.336 4.526 50 0 EJAARN COc1cccc([C@H]2CCCCN2C(=O)c2cccc3c2ccn3C)c1 ZINC000082098523 563972206 /nfs/dbraw/zinc/97/22/06/563972206.db2.gz FEGCVHPAVAKALA-HXUWFJFHSA-N 0 0 348.446 4.554 50 0 EJAARN CC(=O)c1cc(C(=O)N2CCCC[C@@H]2CCc2cccs2)cs1 ZINC000082100139 563972262 /nfs/dbraw/zinc/97/22/62/563972262.db2.gz UOVCVBJTMIDSCL-OAHLLOKOSA-N 0 0 347.505 4.640 50 0 EJAARN Cc1ccc(Nc2nc(C(=O)Nc3cccc(F)c3)cs2)c(C)c1 ZINC000033280737 563972938 /nfs/dbraw/zinc/97/29/38/563972938.db2.gz RTCVVDOOTGJZOH-UHFFFAOYSA-N 0 0 341.411 4.895 50 0 EJAARN Cn1cc([C@@H]2c3ccccc3C(=O)N2Cc2ccco2)c2ccccc21 ZINC000004747641 563973063 /nfs/dbraw/zinc/97/30/63/563973063.db2.gz UYYRJGNZXLHARY-NRFANRHFSA-N 0 0 342.398 4.517 50 0 EJAARN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1nc2c(s1)CCCC2 ZINC000072280710 563973482 /nfs/dbraw/zinc/97/34/82/563973482.db2.gz UILWFICANDANOM-NSHDSACASA-N 0 0 349.887 4.900 50 0 EJAARN O=C1S/C(=C/C=C\c2ccco2)C(=O)N1CCCc1ccccc1 ZINC000033309173 563973494 /nfs/dbraw/zinc/97/34/94/563973494.db2.gz GBKCCJCNOXAUPP-VNFBYDHASA-N 0 0 339.416 4.505 50 0 EJAARN O=C(/C=C\c1cccs1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000033314024 563973624 /nfs/dbraw/zinc/97/36/24/563973624.db2.gz VWVAORNPJFLDEG-FPLPWBNLSA-N 0 0 330.409 4.663 50 0 EJAARN O=C(Nc1ccc2ccccc2n1)Nc1ccccc1N1CCCCC1 ZINC000033316547 563973626 /nfs/dbraw/zinc/97/36/26/563973626.db2.gz OWWUAAMZUHTNQQ-UHFFFAOYSA-N 0 0 346.434 4.869 50 0 EJAARN CCC[C@@H](O)c1nc2ccccc2n1CCOc1cc(C)cc(C)c1 ZINC000033317736 563973652 /nfs/dbraw/zinc/97/36/52/563973652.db2.gz GIHIGCYBERPHIU-HXUWFJFHSA-N 0 0 338.451 4.566 50 0 EJAARN O=C(Nc1ccccc1)c1ccc(Br)c2ccccc12 ZINC000085476364 563973824 /nfs/dbraw/zinc/97/38/24/563973824.db2.gz JYEXTBUDNDIBBS-UHFFFAOYSA-N 0 0 326.193 4.855 50 0 EJAARN O=C(CCc1ccccc1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000000071650 563974385 /nfs/dbraw/zinc/97/43/85/563974385.db2.gz ACDOGGJPIGDBRD-UHFFFAOYSA-N 0 0 326.396 4.521 50 0 EJAARN Cc1cc(Cl)ccc1OCc1nc(-c2ccc(Cl)cc2)no1 ZINC000000078888 563974576 /nfs/dbraw/zinc/97/45/76/563974576.db2.gz DFPDEYDPOFVGOQ-UHFFFAOYSA-N 0 0 335.190 4.931 50 0 EJAARN O=C(Nc1ccc(F)cc1Cl)c1occc1COc1ccccc1 ZINC000011376362 563974822 /nfs/dbraw/zinc/97/48/22/563974822.db2.gz IPVRZYPMYOFWPY-UHFFFAOYSA-N 0 0 345.757 4.903 50 0 EJAARN CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(N(C)C)cc1 ZINC000000085164 563975439 /nfs/dbraw/zinc/97/54/39/563975439.db2.gz FQZGUGFZHWWLOY-UHFFFAOYSA-N 0 0 349.434 4.530 50 0 EJAARN C[C@@H](Nc1nc(-c2ccsc2)nc2ccccc21)c1cccnc1 ZINC000072672909 563976228 /nfs/dbraw/zinc/97/62/28/563976228.db2.gz MUAWUYBOBMUGQO-CYBMUJFWSA-N 0 0 332.432 4.926 50 0 EJAARN C[S@@](=O)(=NC(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000100218729 563982418 /nfs/dbraw/zinc/98/24/18/563982418.db2.gz PLWHZOUUKPKARO-NRFANRHFSA-N 0 0 343.235 4.682 50 0 EJAARN CCCSc1ccccc1NC(=O)NCc1cc(C(C)C)on1 ZINC000096130719 563979331 /nfs/dbraw/zinc/97/93/31/563979331.db2.gz WWQNQPUEDRMUFI-UHFFFAOYSA-N 0 0 333.457 4.622 50 0 EJAARN Cc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)[nH]c1C ZINC000096147829 563979557 /nfs/dbraw/zinc/97/95/57/563979557.db2.gz PTUSYWUNBLYWBZ-UHFFFAOYSA-N 0 0 335.247 4.696 50 0 EJAARN Cc1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)c(F)c1 ZINC000096170883 563979999 /nfs/dbraw/zinc/97/99/99/563979999.db2.gz PUBIWNPHOXALSY-UHFFFAOYSA-N 0 0 328.265 4.677 50 0 EJAARN Clc1ccccc1-c1nc2c3cc(-c4ccccc4)oc3ncn2n1 ZINC000096194524 563980119 /nfs/dbraw/zinc/98/01/19/563980119.db2.gz MITQLPHSZXUGHJ-UHFFFAOYSA-N 0 0 346.777 4.858 50 0 EJAARN COc1cccc(NC(=O)N[C@@H](c2cccs2)c2ccccc2)c1 ZINC000011553555 563980199 /nfs/dbraw/zinc/98/01/99/563980199.db2.gz AJJLACRZMCHJAQ-GOSISDBHSA-N 0 0 338.432 4.668 50 0 EJAARN CN1c2ccccc2[C@H](Cc2ccc(-c3ccccc3Cl)o2)C1=O ZINC000096835333 563981113 /nfs/dbraw/zinc/98/11/13/563981113.db2.gz JBQUGPCERAZCBL-INIZCTEOSA-N 0 0 337.806 4.903 50 0 EJAARN Cc1cc(Cl)ccc1NC=C1N=C(c2ccc(Cl)cc2)OC1=O ZINC000100108013 563983240 /nfs/dbraw/zinc/98/32/40/563983240.db2.gz HHGIVNKDBSHKTB-OQLLNIDSSA-N 0 0 347.201 4.559 50 0 EJAARN Cc1[nH]c2ccc(CNc3cc(C)nc(-c4ccncc4)n3)cc2c1C ZINC000060861744 563983321 /nfs/dbraw/zinc/98/33/21/563983321.db2.gz GZQMRSMMNHWHBF-UHFFFAOYSA-N 0 0 343.434 4.557 50 0 EJAARN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc(F)c1 ZINC000014257894 563983798 /nfs/dbraw/zinc/98/37/98/563983798.db2.gz MDAAUAIYPGUCQM-UHFFFAOYSA-N 0 0 345.377 4.930 50 0 EJAARN CC(C)N[P@@](=O)(O[C@H]1C[C@H](C)CC[C@@H]1C(C)C)c1ccccc1 ZINC000263621490 563984215 /nfs/dbraw/zinc/98/42/15/563984215.db2.gz ADULCGJWFWMRGU-NZQNYPKQSA-N 0 0 337.444 4.980 50 0 biogenic EJAARN CC(C)c1ccc(-c2nnc(NC(=O)c3cccs3)s2)cc1 ZINC000085433836 563986338 /nfs/dbraw/zinc/98/63/38/563986338.db2.gz SBPSWMDCYVNFBD-UHFFFAOYSA-N 0 0 329.450 4.642 50 0 EJAARN O=C1c2ccccc2N[C@@H](c2ccc(F)cc2)N1c1ccc(F)cc1 ZINC000000104496 563986426 /nfs/dbraw/zinc/98/64/26/563986426.db2.gz FGJSWAHHILAVFZ-LJQANCHMSA-N 0 0 336.341 4.736 50 0 EJAARN C[C@H]1Cc2nn(-c3ccccc3)c(-c3ccc(F)cc3)c2C(=O)[C@H]1C ZINC000000106059 563986463 /nfs/dbraw/zinc/98/64/63/563986463.db2.gz XJEHDQSJBHXWSJ-KBPBESRZSA-N 0 0 334.394 4.689 50 0 EJAARN CCn1c2ccc(Cl)cc2cc(-c2ccc3ccccc3n2)c1=O ZINC000000112016 563986600 /nfs/dbraw/zinc/98/66/00/563986600.db2.gz DWWSVMWTENFSPG-UHFFFAOYSA-N 0 0 334.806 4.890 50 0 biogenic,in-vitro EJAARN Cc1nc(Cl)c(C(=O)NCc2ccc(Cl)cc2)c(C)c1Cl ZINC000000111544 563986616 /nfs/dbraw/zinc/98/66/16/563986616.db2.gz XXHKKHOPXZFIKD-UHFFFAOYSA-N 0 0 343.641 4.589 50 0 EJAARN Cc1cccc(C)c1NC(=O)/C(Br)=C/c1ccccc1 ZINC000000113617 563986619 /nfs/dbraw/zinc/98/66/19/563986619.db2.gz UTQHYLZTZIKYGY-PTNGSMBKSA-N 0 0 330.225 4.678 50 0 EJAARN CC1(C)C(=O)O[C@@H](c2ccc(F)cc2Cl)C2(CCCCC2)C1=O ZINC000000111973 563986621 /nfs/dbraw/zinc/98/66/21/563986621.db2.gz OLKMGSOKVRMQSK-AWEZNQCLSA-N 0 0 338.806 4.623 50 0 EJAARN O=C(C[C@H](SCc1ccco1)c1cccnc1)c1cccs1 ZINC000000126026 563986883 /nfs/dbraw/zinc/98/68/83/563986883.db2.gz BYPMVTHMFQHSJY-KRWDZBQOSA-N 0 0 329.446 4.984 50 0 EJAARN Cc1ccc(NC(=O)N(C2=NC[C@H](C)S2)c2ccccc2)cc1 ZINC000000135405 563987019 /nfs/dbraw/zinc/98/70/19/563987019.db2.gz GUKJNAXGWLHPAH-AWEZNQCLSA-N 0 0 325.437 4.525 50 0 EJAARN CCOC(=O)c1c(N)scc1-c1ccc(Oc2ccccc2)cc1 ZINC000000137220 563987045 /nfs/dbraw/zinc/98/70/45/563987045.db2.gz HWONYGGUNHGJKK-UHFFFAOYSA-N 0 0 339.416 4.966 50 0 EJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1F ZINC000000146593 563987136 /nfs/dbraw/zinc/98/71/36/563987136.db2.gz OWRVEBKYFQHVPQ-UHFFFAOYSA-N 0 0 330.746 4.695 50 0 EJAARN CCOc1ccc(/C=C/C(=O)Nc2c(C)cccc2C)cc1OCC ZINC000000147401 563987237 /nfs/dbraw/zinc/98/72/37/563987237.db2.gz TZYHQPOQOYPKEK-ACCUITESSA-N 0 0 339.435 4.753 50 0 EJAARN CC(C)(C)c1ccc(-c2csc([N-][NH+]=C3CCCCCN3)n2)cc1 ZINC000000168048 563987535 /nfs/dbraw/zinc/98/75/35/563987535.db2.gz HTIJSHDEAFZJCF-UHFFFAOYSA-N 0 0 342.512 4.997 50 0 EJAARN Cc1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c1 ZINC000000176217 563987675 /nfs/dbraw/zinc/98/76/75/563987675.db2.gz NOUNBUVKKLTPOZ-UHFFFAOYSA-N 0 0 327.387 4.791 50 0 EJAARN O=C1CS[C@@H](c2cccc(Cl)c2Cl)N1c1cccc(F)c1 ZINC000000180006 563987771 /nfs/dbraw/zinc/98/77/71/563987771.db2.gz ICJMTPIAXWQKQB-HNNXBMFYSA-N 0 0 342.222 4.911 50 0 EJAARN Cc1ccc([C@H]2SCC(=O)N2c2ccc(Br)cc2)cc1 ZINC000000179984 563987772 /nfs/dbraw/zinc/98/77/72/563987772.db2.gz ZKDVREYJAGVDOO-MRXNPFEDSA-N 0 0 348.265 4.536 50 0 EJAARN O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cccc(F)c1 ZINC000000180502 563987815 /nfs/dbraw/zinc/98/78/15/563987815.db2.gz NYEIQZRMGZIRRF-UHFFFAOYSA-N 0 0 331.350 4.621 50 0 EJAARN COc1ccc(C(=O)Nc2nc3ccc(C)cc3s2)cc1Cl ZINC000000180378 563987821 /nfs/dbraw/zinc/98/78/21/563987821.db2.gz ULBIFYILGIMDSW-UHFFFAOYSA-N 0 0 332.812 4.519 50 0 EJAARN CCOC(=O)c1c(C)n(-c2ccccc2)c2c1cc(O)c1ccccc21 ZINC000000181310 563987885 /nfs/dbraw/zinc/98/78/85/563987885.db2.gz MFIKHLHFDQSQSC-UHFFFAOYSA-N 0 0 345.398 4.974 50 0 EJAARN O=C1Nc2cc(Cl)c(Cl)cc2N(O)N1c1cccc(Cl)c1 ZINC000000184589 563987934 /nfs/dbraw/zinc/98/79/34/563987934.db2.gz LSVZHDSVNYRWDQ-UHFFFAOYSA-N 0 0 344.585 4.810 50 0 EJAARN Cc1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000000188945 563988016 /nfs/dbraw/zinc/98/80/16/563988016.db2.gz HJXHCEIDDKNCAN-UHFFFAOYSA-N 0 0 327.387 4.791 50 0 EJAARN COC(=O)c1sc2ccccc2c1NC(=O)c1ccc(Cl)cc1 ZINC000000190384 563988099 /nfs/dbraw/zinc/98/80/99/563988099.db2.gz LBYYTIPYNGGZMI-UHFFFAOYSA-N 0 0 345.807 4.594 50 0 EJAARN CSc1nc2ccc(NC(=O)c3cccc(Cl)c3)cc2s1 ZINC000000193524 563988195 /nfs/dbraw/zinc/98/81/95/563988195.db2.gz RVCLBOFDMCWKSI-UHFFFAOYSA-N 0 0 334.853 4.924 50 0 EJAARN CCN(CC)c1ccc(NC(=O)c2ccc3c(c2)c(C)c(C)n3C)cc1 ZINC000000205098 563988499 /nfs/dbraw/zinc/98/84/99/563988499.db2.gz PQRIBBROUGDEIB-UHFFFAOYSA-N 0 0 349.478 4.894 50 0 EJAARN Nc1ccc(-c2cc(-c3cccc(N)c3)nc(-c3ccccc3)n2)cc1 ZINC000000210779 563988571 /nfs/dbraw/zinc/98/85/71/563988571.db2.gz NJUJQCABARCLKL-UHFFFAOYSA-N 0 0 338.414 4.642 50 0 EJAARN CCCN(C(=O)c1coc(=O)c2ccccc12)c1cccc(Cl)c1 ZINC000000211822 563988600 /nfs/dbraw/zinc/98/86/00/563988600.db2.gz BLPCKGGHUZOFRZ-UHFFFAOYSA-N 0 0 341.794 4.503 50 0 EJAARN CCCN(CCC)C(=O)C[C@@H](c1ccccc1)c1ccc(C)cc1O ZINC000000211511 563988617 /nfs/dbraw/zinc/98/86/17/563988617.db2.gz PKYPEPKYXSPHNV-FQEVSTJZSA-N 0 0 339.479 4.871 50 0 EJAARN O=C(NCc1cccs1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000000217126 563988719 /nfs/dbraw/zinc/98/87/19/563988719.db2.gz PAULFNZXLLENNY-UHFFFAOYSA-N 0 0 344.439 4.893 50 0 EJAARN Fc1ccccc1[C@H]1C[C@@H](c2cccnc2)Nc2nc3ccccc3n21 ZINC000000223054 563988880 /nfs/dbraw/zinc/98/88/80/563988880.db2.gz APJCEEGVZKLZAQ-AZUAARDMSA-N 0 0 344.393 4.717 50 0 EJAARN Cc1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(C)cc3)cc2)cc1 ZINC000000242512 563989176 /nfs/dbraw/zinc/98/91/76/563989176.db2.gz XOGHUKBCGNLXOX-UHFFFAOYSA-N 0 0 346.382 4.742 50 0 EJAARN CCc1ccc(NC[C@H](O)Cn2c3ccccc3c3ccccc32)cc1 ZINC000000243488 563989233 /nfs/dbraw/zinc/98/92/33/563989233.db2.gz MMSZWAJLOIMQBF-IBGZPJMESA-N 0 0 344.458 4.830 50 0 EJAARN CC1(C)Cc2nc(NC(=O)Nc3cccc(Cl)c3)sc2C(=O)C1 ZINC000000245762 563989238 /nfs/dbraw/zinc/98/92/38/563989238.db2.gz VEQPYPAOYKTOLT-UHFFFAOYSA-N 0 0 349.843 4.596 50 0 EJAARN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C)c2ccccc2)cc1 ZINC000000246307 563989378 /nfs/dbraw/zinc/98/93/78/563989378.db2.gz UNGSPAGEBGDKMK-OAQYLSRUSA-N 0 0 336.479 4.621 50 0 EJAARN COc1cccc(NC(=O)N(Cc2cccc(C)c2)c2cccnc2)c1 ZINC000000261411 563989667 /nfs/dbraw/zinc/98/96/67/563989667.db2.gz ZIJXUMSQMXHJHT-UHFFFAOYSA-N 0 0 347.418 4.637 50 0 EJAARN CC(C)N(C(=S)Nc1cccc(Cl)c1)[C@H](C)c1ccccn1 ZINC000000262157 563989738 /nfs/dbraw/zinc/98/97/38/563989738.db2.gz JLNWRMPMZPYHLI-CYBMUJFWSA-N 0 0 333.888 4.903 50 0 EJAARN C[C@@H](CNC(=O)Nc1ccccc1)CSc1ccc(Cl)cc1 ZINC000000263419 563989807 /nfs/dbraw/zinc/98/98/07/563989807.db2.gz DQTHBWXHGPWASY-ZDUSSCGKSA-N 0 0 334.872 4.890 50 0 EJAARN COc1cccc(NC(=S)N(Cc2cccs2)C2CCCC2)c1 ZINC000000270187 563990044 /nfs/dbraw/zinc/99/00/44/563990044.db2.gz IRYMIAAZZYINGE-UHFFFAOYSA-N 0 0 346.521 4.898 50 0 EJAARN Cc1cccc(Nc2nc3ccccc3c(NCc3ccco3)n2)c1 ZINC000000315738 563991007 /nfs/dbraw/zinc/99/10/07/563991007.db2.gz DPRZKNDPFKQQOC-UHFFFAOYSA-N 0 0 330.391 4.887 50 0 EJAARN Cc1ccn2c(c1)nc(-c1ccccc1O)c2NCc1ccccc1 ZINC000000320744 563991068 /nfs/dbraw/zinc/99/10/68/563991068.db2.gz OKHVSPUBZBFHNI-UHFFFAOYSA-N 0 0 329.403 4.627 50 0 EJAARN O=C(COc1ccc(Cl)cc1Cl)OCc1ccccc1Cl ZINC000000335168 563991318 /nfs/dbraw/zinc/99/13/18/563991318.db2.gz YHNCZWOEGNBKSC-UHFFFAOYSA-N 0 0 345.609 4.769 50 0 EJAARN COC1=Cc2ccccc2[C@@](O)(C2CCSCC2)c2ccsc21 ZINC000000346425 563991416 /nfs/dbraw/zinc/99/14/16/563991416.db2.gz DMQSKWYGQLKKMN-IBGZPJMESA-N 0 0 344.501 4.585 50 0 EJAARN CC(=O)c1c(C)oc2ccc(OC(=O)c3cccc(Cl)c3)cc21 ZINC000000348367 563991481 /nfs/dbraw/zinc/99/14/81/563991481.db2.gz PXFDQQAINZFTQC-UHFFFAOYSA-N 0 0 328.751 4.816 50 0 EJAARN COc1cc(C(=O)Nc2ccccc2C(C)(C)C)ccc1OC(F)F ZINC000000375157 563991870 /nfs/dbraw/zinc/99/18/70/563991870.db2.gz ARMKROSABNKJPR-UHFFFAOYSA-N 0 0 349.377 4.846 50 0 EJAARN CCc1ccc(-c2cc(C(=O)NCC(C)C)c3ccccc3n2)s1 ZINC000000373559 563991876 /nfs/dbraw/zinc/99/18/76/563991876.db2.gz UFNGBZIWCNUFMP-UHFFFAOYSA-N 0 0 338.476 4.912 50 0 EJAARN COc1ccc(OC)c([C@@H]2CC(=O)c3c(ccc4ccccc43)N2)c1 ZINC000000381206 563991969 /nfs/dbraw/zinc/99/19/69/563991969.db2.gz NJKYRAHRUPTIEJ-SFHVURJKSA-N 0 0 333.387 4.597 50 0 EJAARN O=C1Nc2ccccc2SC1=CNc1cccc(C(F)(F)F)c1 ZINC000100408060 563992314 /nfs/dbraw/zinc/99/23/14/563992314.db2.gz YTIISDUFBCMNIO-NTEUORMPSA-N 0 0 336.338 4.703 50 0 EJAARN CC(=O)Nc1ccc(Cl)c(NC(=O)c2csc3ccccc23)c1 ZINC000408526038 563993296 /nfs/dbraw/zinc/99/32/96/563993296.db2.gz KPGKJPLSRZIZCW-UHFFFAOYSA-N 0 0 344.823 4.765 50 0 EJAARN Cc1ccc(-c2c3ccccc3c(=O)oc2C(=O)NCCC(C)C)cc1 ZINC000004972084 563993515 /nfs/dbraw/zinc/99/35/15/563993515.db2.gz AXIQSUBKTRHLMA-UHFFFAOYSA-N 0 0 349.430 4.544 50 0 EJAARN CC[C@H](C)NC(=O)c1c(C)c2c(n1Cc1cccc(C)c1)CCCC2 ZINC000004978179 563993534 /nfs/dbraw/zinc/99/35/34/563993534.db2.gz VTXFCEFQGPQLDJ-INIZCTEOSA-N 0 0 338.495 4.560 50 0 EJAARN Cc1occc1-c1nnc2sc(/C=C/c3ccccc3Cl)nn21 ZINC000005032096 563993901 /nfs/dbraw/zinc/99/39/01/563993901.db2.gz XUWWWLUMWBXIBY-VOTSOKGWSA-N 0 0 342.811 4.578 50 0 EJAARN O=C(Nc1ccc(F)cc1)c1ccc2noc(-c3ccccc3)c2c1 ZINC000005034750 563993949 /nfs/dbraw/zinc/99/39/49/563993949.db2.gz IQPZFBODSWASFC-UHFFFAOYSA-N 0 0 332.334 4.886 50 0 EJAARN O=C(CSc1ccc(Cl)cc1)N[C@H]1CCCc2ccccc21 ZINC000005105302 563994368 /nfs/dbraw/zinc/99/43/68/563994368.db2.gz MUMSXEXPJNHOAJ-KRWDZBQOSA-N 0 0 331.868 4.626 50 0 EJAARN CSc1ccc(NC(=O)N2c3ccc(F)cc3CC[C@H]2C)cc1 ZINC000005152352 563994742 /nfs/dbraw/zinc/99/47/42/563994742.db2.gz RQFQTQRGRASWFV-GFCCVEGCSA-N 0 0 330.428 4.921 50 0 EJAARN CCCCc1ccc(NC(=O)Nc2ccc3snnc3c2)cc1 ZINC000005152175 563994750 /nfs/dbraw/zinc/99/47/50/563994750.db2.gz RFBXVBZBQIUAHJ-UHFFFAOYSA-N 0 0 326.425 4.678 50 0 EJAARN CCOc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3C)no2)cc1 ZINC000011915169 563995475 /nfs/dbraw/zinc/99/54/75/563995475.db2.gz MORVKTRGTNGTKN-UHFFFAOYSA-N 0 0 336.391 4.609 50 0 EJAARN CCOc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000011915682 563995481 /nfs/dbraw/zinc/99/54/81/563995481.db2.gz FMQLHSODIZXCKA-UHFFFAOYSA-N 0 0 342.782 4.646 50 0 EJAARN CCCN(CCC)c1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1 ZINC000002271378 563997456 /nfs/dbraw/zinc/99/74/56/563997456.db2.gz AQSHVCGPZYNLNV-SILNSSARSA-N 0 0 348.446 4.658 50 0 EJAARN CCn1nc(-c2ccc(OC)cc2)c2ccc(OC)c3cccc1c32 ZINC000005164594 563997579 /nfs/dbraw/zinc/99/75/79/563997579.db2.gz ROTYKDMSHYKCOU-UHFFFAOYSA-N 0 0 332.403 4.894 50 0 EJAARN CCN(Cc1ccc2[nH]ccc2c1)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000252536635 563997897 /nfs/dbraw/zinc/99/78/97/563997897.db2.gz JAMIYKSFRNWANZ-INIZCTEOSA-N 0 0 335.451 4.769 50 0 EJAARN Cc1ccc2[nH]c(S[C@H](C)c3nnc(-c4ccccc4)o3)nc2c1 ZINC000005165187 563997928 /nfs/dbraw/zinc/99/79/28/563997928.db2.gz VMQVLDNZRFWDDH-GFCCVEGCSA-N 0 0 336.420 4.775 50 0 EJAARN Cc1cccc(N2C(=O)CS[C@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000000423897 563998384 /nfs/dbraw/zinc/99/83/84/563998384.db2.gz NSQOBQJUBGWLFD-INIZCTEOSA-N 0 0 337.366 4.792 50 0 EJAARN O=C1CS[C@@H](c2ccc(Cl)cc2Cl)N1c1ccccc1F ZINC000000424021 563998419 /nfs/dbraw/zinc/99/84/19/563998419.db2.gz HDVOROMQJQXBRM-HNNXBMFYSA-N 0 0 342.222 4.911 50 0 EJAARN COc1ccc(Cl)cc1-n1cc(-c2ccccc2)nc1SC ZINC000000424462 563998470 /nfs/dbraw/zinc/99/84/70/563998470.db2.gz QEVJQPCGUCZWAQ-UHFFFAOYSA-N 0 0 330.840 4.923 50 0 EJAARN Cc1cccc(-n2cc(-c3cc4ccccc4oc3=O)[nH]c2=S)c1 ZINC000000424423 563998479 /nfs/dbraw/zinc/99/84/79/563998479.db2.gz LORJVDVIOGCWGC-UHFFFAOYSA-N 0 0 334.400 4.617 50 0 EJAARN CCOc1ccc(-c2cn(-c3ccccc3OC)c(=S)[nH]2)cc1 ZINC000000424429 563998482 /nfs/dbraw/zinc/99/84/82/563998482.db2.gz VTWPVYGREZZHSQ-UHFFFAOYSA-N 0 0 326.421 4.609 50 0 EJAARN Cc1ccc(-n2c(Nc3ccc(F)cc3)nc3ccccc3c2=O)cc1 ZINC000000422992 563998568 /nfs/dbraw/zinc/99/85/68/563998568.db2.gz FDBMTYDPCUFEDH-UHFFFAOYSA-N 0 0 345.377 4.577 50 0 EJAARN Cc1cc(C)cc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc(Cl)cc23)c1 ZINC000000427430 563998695 /nfs/dbraw/zinc/99/86/95/563998695.db2.gz XSZQBBFXIUGVBC-LPHOPBHVSA-N 0 0 342.826 4.726 50 0 EJAARN CCc1ccc(NC(=O)c2cc3cc4ccc(OC)cc4nc3o2)cc1 ZINC000000429148 563999144 /nfs/dbraw/zinc/99/91/44/563999144.db2.gz RFMDMPSCFHYCNR-UHFFFAOYSA-N 0 0 346.386 4.804 50 0 EJAARN Cc1ccc(N2C(=O)CS[C@@H]2c2c(F)cccc2Cl)cc1F ZINC000000431349 563999437 /nfs/dbraw/zinc/99/94/37/563999437.db2.gz PWDPELYFOYWAPU-MRXNPFEDSA-N 0 0 339.794 4.705 50 0 EJAARN Cc1cc(C)cc(N2C(=O)CS[C@H]2c2c(F)cccc2Cl)c1 ZINC000000431354 563999455 /nfs/dbraw/zinc/99/94/55/563999455.db2.gz HSAYXNQOZWECCH-KRWDZBQOSA-N 0 0 335.831 4.875 50 0 EJAARN Cc1nc(-c2ccccn2)sc1-c1ccnn1-c1ccc(F)cc1 ZINC000221546151 563999540 /nfs/dbraw/zinc/99/95/40/563999540.db2.gz SWPGPZCLILWPID-UHFFFAOYSA-N 0 0 336.395 4.505 50 0 EJAARN Cc1cc2nc(-c3cc(NC(=O)c4ccco4)ccc3O)oc2c(C)c1 ZINC000009340148 563999735 /nfs/dbraw/zinc/99/97/35/563999735.db2.gz VXZLTRHKLRYIDH-UHFFFAOYSA-N 0 0 348.358 4.663 50 0 EJAARN O=C(N[C@@H]1CCSc2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000005176807 564000018 /nfs/dbraw/zinc/00/00/18/564000018.db2.gz PYONYXGRJGFXON-CQSZACIVSA-N 0 0 337.366 4.672 50 0 EJAARN Cc1nc2ccccc2c(C)c1CC(=O)N[C@H]1CCCc2ccccc21 ZINC000005199136 564000351 /nfs/dbraw/zinc/00/03/51/564000351.db2.gz XIUPAUGWWJACIB-QFIPXVFZSA-N 0 0 344.458 4.588 50 0 EJAARN CCN(c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1)C(C)C ZINC000005200411 564000387 /nfs/dbraw/zinc/00/03/87/564000387.db2.gz FZTPAOWBOZHQLK-UHFFFAOYSA-N 0 0 330.859 4.756 50 0 EJAARN CNc1nc2c(s1)[C@H](c1cccc(Cl)c1Cl)CC(=O)N2 ZINC000061719912 564000451 /nfs/dbraw/zinc/00/04/51/564000451.db2.gz DFAFZNZFCNCWPC-ZETCQYMHSA-N 0 0 328.224 4.615 50 0 EJAARN Cc1c2cc(F)ccc2oc1C(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000007987654 564000632 /nfs/dbraw/zinc/00/06/32/564000632.db2.gz DOOUYKXHOZFEPH-JTQLQIEISA-N 0 0 333.309 4.650 50 0 EJAARN Oc1ccc(-c2nc(-c3ccccc3O)[nH]c2-c2ccccc2)cc1 ZINC000000460251 564000840 /nfs/dbraw/zinc/00/08/40/564000840.db2.gz PHLLUEBIABZXRY-UHFFFAOYSA-N 0 0 328.371 4.822 50 0 EJAARN O=C(CCc1ccccc1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000078797160 564000924 /nfs/dbraw/zinc/00/09/24/564000924.db2.gz UGWCLFPUHWWZEN-OAQYLSRUSA-N 0 0 332.447 4.854 50 0 EJAARN CCc1ccc(OCCn2c3ccccc3nc2[C@H]2CCCO2)cc1 ZINC000005235825 564001416 /nfs/dbraw/zinc/00/14/16/564001416.db2.gz FJWOJEGNUIUGNY-HXUWFJFHSA-N 0 0 336.435 4.529 50 0 EJAARN FC(F)C(F)(F)c1c/c(=N\Cc2ccccc2)c2ccccc2o1 ZINC000005244027 564001520 /nfs/dbraw/zinc/00/15/20/564001520.db2.gz CVZCRESCJAFNLU-OEAKJJBVSA-N 0 0 335.300 4.891 50 0 EJAARN Oc1ccccc1C1=N[C@H](c2ccccc2)N[C@H](c2ccccc2)C1 ZINC000061868519 564001678 /nfs/dbraw/zinc/00/16/78/564001678.db2.gz UJROPHQMKHBBEJ-SIKLNZKXSA-N 0 0 328.415 4.615 50 0 EJAARN CCSCc1nnc2c3ccccc3c(-c3ccc(C)cc3)nn12 ZINC000005304928 564002442 /nfs/dbraw/zinc/00/24/42/564002442.db2.gz FPNCBEIQPHFKJU-UHFFFAOYSA-N 0 0 334.448 4.506 50 0 EJAARN COc1cc2cc(C(=O)Nc3ccc4ccccc4c3)[nH]c2cc1OC ZINC000005306042 564002456 /nfs/dbraw/zinc/00/24/56/564002456.db2.gz IFMLICFRLQXKKQ-UHFFFAOYSA-N 0 0 346.386 4.591 50 0 EJAARN CCCC(=O)N(Cc1ccccc1)c1nc2c(cccc2F)s1 ZINC000005299692 564002541 /nfs/dbraw/zinc/00/25/41/564002541.db2.gz LZOFODPZMZIXAP-UHFFFAOYSA-N 0 0 328.412 4.769 50 0 EJAARN Cc1cc(NC(=O)Nc2c[nH]c3ccccc23)ccc1Br ZINC000005299987 564002551 /nfs/dbraw/zinc/00/25/51/564002551.db2.gz MXYZBZCGCYYHQN-UHFFFAOYSA-N 0 0 344.212 4.883 50 0 EJAARN Cc1cccc(NC(=O)c2cc(-c3ccc(OC(C)C)cc3)on2)c1 ZINC000061997162 564002598 /nfs/dbraw/zinc/00/25/98/564002598.db2.gz UTBJSLMMRVWLTM-UHFFFAOYSA-N 0 0 336.391 4.690 50 0 EJAARN COc1ccc(NC(=O)c2cc(-c3ccccc3C)on2)cc1Cl ZINC000061997271 564002610 /nfs/dbraw/zinc/00/26/10/564002610.db2.gz GRXZHBUEGNAWPK-UHFFFAOYSA-N 0 0 342.782 4.564 50 0 EJAARN Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1[C@@H](O)CC(C)(C)C2 ZINC000005323165 564002854 /nfs/dbraw/zinc/00/28/54/564002854.db2.gz VQJDPESVIAABRN-INIZCTEOSA-N 0 0 341.451 4.970 50 0 EJAARN C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)c1ccc(Cl)cc1 ZINC000005400151 564003593 /nfs/dbraw/zinc/00/35/93/564003593.db2.gz YRAAMEPDWOIOCK-JTQLQIEISA-N 0 0 347.871 4.507 50 0 EJAARN Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc2c(c1)CCC2 ZINC000005405414 564003704 /nfs/dbraw/zinc/00/37/04/564003704.db2.gz XDDWVHFVVFGQDU-UHFFFAOYSA-N 0 0 340.473 4.921 50 0 EJAARN O=C(Cc1cccc2ccccc21)N[C@@H]1CCSc2ccccc21 ZINC000005425376 564003775 /nfs/dbraw/zinc/00/37/75/564003775.db2.gz VXKAVEHLPBHUKH-LJQANCHMSA-N 0 0 333.456 4.736 50 0 EJAARN CC1CCN(C(=O)c2cc(-c3cccs3)nc3ccccc32)CC1 ZINC000005427569 564003867 /nfs/dbraw/zinc/00/38/67/564003867.db2.gz DSPGPGQMGAQSAG-UHFFFAOYSA-N 0 0 336.460 4.835 50 0 EJAARN CC(=O)Nc1ccc(SCc2cccc(C(F)(F)F)c2)cc1 ZINC000002630871 564003918 /nfs/dbraw/zinc/00/39/18/564003918.db2.gz ZFTGFFHTDCUMSQ-UHFFFAOYSA-N 0 0 325.355 4.956 50 0 EJAARN O=C(COc1ccccc1-c1ccccc1)Nc1ccc(F)c(F)c1 ZINC000002633512 564003924 /nfs/dbraw/zinc/00/39/24/564003924.db2.gz SFGYQJUZRFUXFU-UHFFFAOYSA-N 0 0 339.341 4.649 50 0 EJAARN O=C(Cc1cccc2ccccc21)Nc1nc(-c2cccnc2)cs1 ZINC000002653904 564003937 /nfs/dbraw/zinc/00/39/37/564003937.db2.gz AXRZZOXLKQSIST-UHFFFAOYSA-N 0 0 345.427 4.540 50 0 EJAARN CCOc1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2OC)cc1 ZINC000002650935 564003958 /nfs/dbraw/zinc/00/39/58/564003958.db2.gz HMQCDEYJVCBPEQ-UHFFFAOYSA-N 0 0 327.424 4.644 50 0 EJAARN Cc1ccc([C@@H]2C[C@H](c3cccc4ccccc43)n3ncnc3N2)cc1 ZINC000002797223 564004025 /nfs/dbraw/zinc/00/40/25/564004025.db2.gz ASAXKNVZXXCIFJ-LEWJYISDSA-N 0 0 340.430 4.886 50 0 EJAARN CCCCOc1ccc(C(=O)OCc2nc3ccccc3s2)cc1 ZINC000003186558 564004124 /nfs/dbraw/zinc/00/41/24/564004124.db2.gz GMVGPAAYFHQALS-UHFFFAOYSA-N 0 0 341.432 4.832 50 0 EJAARN O=c1nc2n(c3ccccc13)CC/C2=C\c1ccc(Cl)c(Cl)c1 ZINC000005451524 564004285 /nfs/dbraw/zinc/00/42/85/564004285.db2.gz KBZBSSYNRRNYIT-FMIVXFBMSA-N 0 0 343.213 4.648 50 0 EJAARN Cc1ccc(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)s1 ZINC000003321529 564004418 /nfs/dbraw/zinc/00/44/18/564004418.db2.gz RZIWCIKYWZQIAW-LFIBNONCSA-N 0 0 325.433 4.699 50 0 EJAARN C[C@@H](Oc1ccc2c(c1)[nH]c1ccccc12)C(=O)Nc1ccccc1F ZINC000005498299 564004770 /nfs/dbraw/zinc/00/47/70/564004770.db2.gz NKYOZGCIIBHXFE-CYBMUJFWSA-N 0 0 348.377 4.866 50 0 EJAARN O=C(CSc1ncnc2ccccc21)Nc1ccc2ccccc2c1 ZINC000005505348 564004794 /nfs/dbraw/zinc/00/47/94/564004794.db2.gz KRDGZIVBTZCELT-UHFFFAOYSA-N 0 0 345.427 4.514 50 0 EJAARN CC1(C)c2cc(F)ccc2N2CCC(=O)N[C@]21/C=C/c1ccccc1 ZINC000005516383 564004982 /nfs/dbraw/zinc/00/49/82/564004982.db2.gz XSJSSVGCHWDXHC-XMZCSZCVSA-N 0 0 336.410 4.693 50 0 EJAARN Cc1nn(-c2ccc(Cl)c(Cl)c2Cl)c(=O)c2ccccc12 ZINC000005534261 564005121 /nfs/dbraw/zinc/00/51/21/564005121.db2.gz ZDQHAKODCCEZDX-UHFFFAOYSA-N 0 0 339.609 4.654 50 0 EJAARN CC(=O)N1N=C(c2ccc(C(C)(C)C)cc2)O[C@H]1c1ccc(C)cc1 ZINC000004723556 564005227 /nfs/dbraw/zinc/00/52/27/564005227.db2.gz WAWRIQQGGPWMLK-FQEVSTJZSA-N 0 0 336.435 4.532 50 0 EJAARN COc1ccc2c(CC(=O)Nc3cccc4ccccc43)coc2c1 ZINC000005560356 564005386 /nfs/dbraw/zinc/00/53/86/564005386.db2.gz LDDUTJKRGQPCPU-UHFFFAOYSA-N 0 0 331.371 4.776 50 0 EJAARN O=C(Cc1c(Cl)cccc1Cl)NC12CC3CC(CC(C3)C1)C2 ZINC000005557351 564005433 /nfs/dbraw/zinc/00/54/33/564005433.db2.gz KMCJEHWUCNTRQM-UHFFFAOYSA-N 0 0 338.278 4.621 50 0 EJAARN O=C(CC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2 ZINC000005557313 564005439 /nfs/dbraw/zinc/00/54/39/564005439.db2.gz BRRPODXVMIZFMU-UHFFFAOYSA-N 0 0 327.512 4.678 50 0 EJAARN Cc1cccc(NC(=O)CCCOc2ccc(Br)cc2)c1 ZINC000005558343 564005457 /nfs/dbraw/zinc/00/54/57/564005457.db2.gz DOWIPVSGRPTULP-UHFFFAOYSA-N 0 0 348.240 4.555 50 0 EJAARN COc1ccc(-c2nc(NC(=O)c3ccc(C)s3)sc2C)cc1 ZINC000005578376 564005858 /nfs/dbraw/zinc/00/58/58/564005858.db2.gz JDWYDENGLJCKON-UHFFFAOYSA-N 0 0 344.461 4.749 50 0 EJAARN O=C(/C=C/c1cccc(C(F)(F)F)c1)NC12CC3CC(CC(C3)C1)C2 ZINC000005506173 564005993 /nfs/dbraw/zinc/00/59/93/564005993.db2.gz KGROPYRYXSJIER-SNAWJCMRSA-N 0 0 349.396 4.804 50 0 EJAARN Cc1nc2cc(NC(=O)c3cccnc3Oc3ccccc3)ccc2o1 ZINC000024348136 564006111 /nfs/dbraw/zinc/00/61/11/564006111.db2.gz OQDDNWGAMIOFTO-UHFFFAOYSA-N 0 0 345.358 4.576 50 0 EJAARN CCC[C@@H](C(=O)Nc1cc(OC)c(OC)cc1C)c1ccccc1 ZINC000006258885 564006369 /nfs/dbraw/zinc/00/63/69/564006369.db2.gz YNCZQLJWNGJNTR-MRXNPFEDSA-N 0 0 327.424 4.535 50 0 EJAARN Cc1cc(F)ccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000005617666 564006413 /nfs/dbraw/zinc/00/64/13/564006413.db2.gz SWFOKJYUFPKLLR-JTQLQIEISA-N 0 0 342.197 4.847 50 0 EJAARN O=C(/C=C/c1ccccc1Cl)NCC12CC3CC(CC(C3)C1)C2 ZINC000006495623 564006438 /nfs/dbraw/zinc/00/64/38/564006438.db2.gz GKPSAJHMXHLKTA-AATRIKPKSA-N 0 0 329.871 4.686 50 0 EJAARN COc1cc(/C=C/COC(=O)CCCC/C=C/C(C)C)ccc1O ZINC000062592246 564006762 /nfs/dbraw/zinc/00/67/62/564006762.db2.gz ZEWSMOFWZCBFSU-OAMUUVBCSA-N 0 0 332.440 4.730 50 0 biogenic,in-vitro EJAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(C)cc1Cl ZINC000005637053 564006860 /nfs/dbraw/zinc/00/68/60/564006860.db2.gz PQPDLLIADDHEFV-UHFFFAOYSA-N 0 0 326.783 4.864 50 0 EJAARN COc1cc(/C=C/c2nc3cc(Cl)ccc3o2)cc(OC)c1OC ZINC000008321195 564006966 /nfs/dbraw/zinc/00/69/66/564006966.db2.gz HMLLRILGSUXHPR-QPJJXVBHSA-N 0 0 345.782 4.677 50 0 EJAARN CCc1nc2ccccc2n1CC(=O)Nc1c(C)cccc1C(C)C ZINC000017338987 564011695 /nfs/dbraw/zinc/01/16/95/564011695.db2.gz QNCMHATTWUNQRW-UHFFFAOYSA-N 0 0 335.451 4.669 50 0 EJAARN O=C(c1ccccc1)C1=C(c2ccccc2)COc2ccccc2O1 ZINC000003138790 564012409 /nfs/dbraw/zinc/01/24/09/564012409.db2.gz DFHGQWDTWMIVQP-QFIPXVFZSA-N 0 0 328.367 4.750 50 0 EJAARN CCOc1cc(CO)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000000471064 564012677 /nfs/dbraw/zinc/01/26/77/564012677.db2.gz ZDEBCCDQSOPOKS-UHFFFAOYSA-N 0 0 342.822 4.963 50 0 EJAARN O=C1NC(=S)SC1=Cc1ccc(OCc2ccccc2)cc1 ZINC000000973835 564012956 /nfs/dbraw/zinc/01/29/56/564012956.db2.gz LNPKMUHSBCXBNB-XNTDXEJSSA-N 0 0 327.430 4.595 50 0 EJAARN O=C(NCc1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002172965 564013283 /nfs/dbraw/zinc/01/32/83/564013283.db2.gz SPDGVRUPZRZOGG-UHFFFAOYSA-N 0 0 328.721 4.681 50 0 EJAARN O=C(Nc1ccc(Br)c(Cl)c1)Nc1ccccc1F ZINC000017071747 564077272 /nfs/dbraw/zinc/07/72/72/564077272.db2.gz WNMBZOCQHCQJIA-UHFFFAOYSA-N 0 0 343.583 4.886 50 0 EJAARN FC(F)(F)CCOc1cccc(Br)c1C(F)(F)F ZINC000169725661 564017195 /nfs/dbraw/zinc/01/71/95/564017195.db2.gz YEUWQRJPWXYFRX-UHFFFAOYSA-N 0 0 337.057 4.799 50 0 EJAARN FC(F)(F)c1ccc(N2CCC(F)(F)CC2)cc1Br ZINC000169725649 564017187 /nfs/dbraw/zinc/01/71/87/564017187.db2.gz OYYNQIFSBJXEGG-UHFFFAOYSA-N 0 0 344.121 4.703 50 0 EJAARN COc1ccccc1COc1cc2oc(=O)c(C)c(C)c2cc1Cl ZINC000000488691 564017362 /nfs/dbraw/zinc/01/73/62/564017362.db2.gz ZJYOSCMQWPXWNS-UHFFFAOYSA-N 0 0 344.794 4.651 50 0 EJAARN c1ccc(-c2nc(SCCOc3ccc4ccccc4c3)n[nH]2)cc1 ZINC000043808449 564017671 /nfs/dbraw/zinc/01/76/71/564017671.db2.gz AWEQGCLQPFRLCZ-UHFFFAOYSA-N 0 0 347.443 4.796 50 0 EJAARN CN(Cc1cccc(F)c1)C(=O)c1ccccc1Nc1ccccc1 ZINC000018080427 564017927 /nfs/dbraw/zinc/01/79/27/564017927.db2.gz CYUQYLIZZYDUAC-UHFFFAOYSA-N 0 0 334.394 4.842 50 0 EJAARN Cc1ccc(CN2C(=O)S/C(=C/c3c[nH]c4ccccc34)C2=O)cc1 ZINC000018093434 564017968 /nfs/dbraw/zinc/01/79/68/564017968.db2.gz VVYYVFOMVYVDCL-VCHYOVAHSA-N 0 0 348.427 4.713 50 0 EJAARN C[C@@H](NC(=O)Nc1ccc(F)cc1F)c1ccc2c(c1)CCCC2 ZINC000018174142 564018542 /nfs/dbraw/zinc/01/85/42/564018542.db2.gz VTGCMURHEQVEEH-GFCCVEGCSA-N 0 0 330.378 4.726 50 0 EJAARN CCCc1sc(NC(=O)c2ccco2)nc1-c1ccc(OC)cc1 ZINC000018192528 564018634 /nfs/dbraw/zinc/01/86/34/564018634.db2.gz QDBOLENCEHAIEQ-UHFFFAOYSA-N 0 0 342.420 4.617 50 0 EJAARN O=C(Nc1cccc(Oc2ccccc2)c1)c1ccc2[nH]cnc2c1 ZINC000012632215 564018764 /nfs/dbraw/zinc/01/87/64/564018764.db2.gz NVVCIWGWXLQXTR-UHFFFAOYSA-N 0 0 329.359 4.608 50 0 EJAARN C[C@@H](c1ccccc1)N(C(=O)Nc1ccccc1)C1=NC[C@@H](C)S1 ZINC000000503374 564019180 /nfs/dbraw/zinc/01/91/80/564019180.db2.gz WRLMYLQCBSGTDJ-CABCVRRESA-N 0 0 339.464 4.773 50 0 EJAARN Cc1cccc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)c1 ZINC000000508204 564019774 /nfs/dbraw/zinc/01/97/74/564019774.db2.gz WDAOILDNGRDGRF-UHFFFAOYSA-N 0 0 336.398 4.944 50 0 EJAARN Cc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2C)cc1Cl ZINC000000516085 564020452 /nfs/dbraw/zinc/02/04/52/564020452.db2.gz VFZCYHOREDIYJL-UHFFFAOYSA-N 0 0 337.810 4.666 50 0 EJAARN COc1ccc(Nc2nc(C)nc3sc4c(c32)CCCC4)cc1 ZINC000000520766 564020981 /nfs/dbraw/zinc/02/09/81/564020981.db2.gz AIVZHXMRJKDYKT-UHFFFAOYSA-N 0 0 325.437 4.631 50 0 EJAARN Cc1nnc2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccc3n12 ZINC000000524635 564021221 /nfs/dbraw/zinc/02/12/21/564021221.db2.gz DBOPWALMNGAOHI-UHFFFAOYSA-N 0 0 332.407 4.676 50 0 EJAARN CCSc1nc2ccc(NC(=O)c3ccc(OC)cc3)cc2s1 ZINC000000533422 564021983 /nfs/dbraw/zinc/02/19/83/564021983.db2.gz KZISPRSFPKTVOJ-UHFFFAOYSA-N 0 0 344.461 4.669 50 0 EJAARN COc1ccc(-c2nc3nc4ccccc4nc3n2CCC(C)C)cc1 ZINC000000533737 564022009 /nfs/dbraw/zinc/02/20/09/564022009.db2.gz DNBPIXGKUZSDGM-UHFFFAOYSA-N 0 0 346.434 4.701 50 0 EJAARN CC(C)Cn1c(-c2ccc(Cl)cc2)nc2nc3ccccc3nc21 ZINC000000534590 564022027 /nfs/dbraw/zinc/02/20/27/564022027.db2.gz PMNGNXRFSAFQKS-UHFFFAOYSA-N 0 0 336.826 4.956 50 0 EJAARN CCCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cn(C)c2ccccc12 ZINC000000535391 564022094 /nfs/dbraw/zinc/02/20/94/564022094.db2.gz SOZGSYWOHLEBIU-OAQYLSRUSA-N 0 0 345.446 4.656 50 0 EJAARN CCOc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCCC3 ZINC000000545955 564022694 /nfs/dbraw/zinc/02/26/94/564022694.db2.gz DZOWYWZMEAGJGV-UHFFFAOYSA-N 0 0 341.480 4.716 50 0 EJAARN COc1ccccc1-n1cnc2cc(NCc3cccs3)ccc21 ZINC000000549963 564022825 /nfs/dbraw/zinc/02/28/25/564022825.db2.gz HISKJIMTXSFCDZ-UHFFFAOYSA-N 0 0 335.432 4.708 50 0 EJAARN CC(C)CCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccccc1 ZINC000000549247 564022909 /nfs/dbraw/zinc/02/29/09/564022909.db2.gz BUJWXUXULACKHE-INIZCTEOSA-N 0 0 335.451 4.573 50 0 EJAARN O=C1O[C@H](Nc2nc(-c3ccc(Cl)cc3)cs2)c2ccccc21 ZINC000000552721 564023035 /nfs/dbraw/zinc/02/30/35/564023035.db2.gz CWLNOWHKJXJOHM-HNNXBMFYSA-N 0 0 342.807 4.745 50 0 EJAARN Clc1ccccc1-c1nc2sc3c(c2c2nncn21)CCCC3 ZINC000000554572 564023060 /nfs/dbraw/zinc/02/30/60/564023060.db2.gz XALJLKIRDICSNC-UHFFFAOYSA-N 0 0 340.839 4.538 50 0 EJAARN CSc1nc2ccc(NC(=O)c3c(F)cccc3F)cc2s1 ZINC000000567705 564023423 /nfs/dbraw/zinc/02/34/23/564023423.db2.gz ZCZZNKIIZWQCHK-UHFFFAOYSA-N 0 0 336.388 4.549 50 0 EJAARN COc1ccc2cc(CN3c4ccccc4C[C@@H]3C)c(Cl)nc2c1 ZINC000014672785 564023672 /nfs/dbraw/zinc/02/36/72/564023672.db2.gz ANPDPOCHALHZAZ-ZDUSSCGKSA-N 0 0 338.838 4.848 50 0 EJAARN CC(C)CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000000572346 564023896 /nfs/dbraw/zinc/02/38/96/564023896.db2.gz VIFKEKJVNJUFFE-QGZVFWFLSA-N 0 0 347.462 4.603 50 0 EJAARN CC(C)CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000000572345 564023897 /nfs/dbraw/zinc/02/38/97/564023897.db2.gz VIFKEKJVNJUFFE-KRWDZBQOSA-N 0 0 347.462 4.603 50 0 EJAARN CC(=O)N(Cc1ccccc1)c1nc(-c2c[nH]c3ccccc32)cs1 ZINC000000574029 564024007 /nfs/dbraw/zinc/02/40/07/564024007.db2.gz DGVNZYPJRUMROG-UHFFFAOYSA-N 0 0 347.443 4.845 50 0 EJAARN CCOc1ccc(/C=C2/c3ccccc3N(C)C2=O)c2ccccc12 ZINC000000575126 564024015 /nfs/dbraw/zinc/02/40/15/564024015.db2.gz QEGFSDOPXQKSCF-RGEXLXHISA-N 0 0 329.399 4.756 50 0 EJAARN Cc1cccn2cc(-c3ccc(NC(=O)c4cccs4)cc3)nc12 ZINC000000577147 564024195 /nfs/dbraw/zinc/02/41/95/564024195.db2.gz AMCYGMOEBGYBLN-UHFFFAOYSA-N 0 0 333.416 4.624 50 0 EJAARN O=Cc1cn(Cc2ccccc2Cl)c2ccc(Br)cc12 ZINC000000578833 564024316 /nfs/dbraw/zinc/02/43/16/564024316.db2.gz DTPLDKFYJDUCGP-UHFFFAOYSA-N 0 0 348.627 4.918 50 0 EJAARN O=C(c1cn(CCOc2ccccc2Cl)c2ccccc12)C1CC1 ZINC000000578889 564024343 /nfs/dbraw/zinc/02/43/43/564024343.db2.gz ZWWAZTNADUOSPM-UHFFFAOYSA-N 0 0 339.822 4.966 50 0 EJAARN COc1ccc(-c2nc3ccccc3c(N3CCC[C@@H](C)C3)n2)cc1 ZINC000005747570 564025009 /nfs/dbraw/zinc/02/50/09/564025009.db2.gz WQJICBFJIWOZSB-OAHLLOKOSA-N 0 0 333.435 4.542 50 0 EJAARN CC(=O)c1sc(N2N=C3CCCC[C@H]3[C@H]2c2ccccc2)nc1C ZINC000051330442 564025219 /nfs/dbraw/zinc/02/52/19/564025219.db2.gz DXUVNKYHCBBCPO-NVXWUHKLSA-N 0 0 339.464 4.762 50 0 EJAARN Cc1ccccc1N(C(=O)c1cnc(-c2ccccn2)s1)C(C)C ZINC000105582348 564025252 /nfs/dbraw/zinc/02/52/52/564025252.db2.gz AQVIMRYCSPCTHJ-UHFFFAOYSA-N 0 0 337.448 4.569 50 0 EJAARN Cc1ccccc1-c1noc(-c2cc(-c3cccc(Cl)c3)[nH]n2)n1 ZINC000046913972 564025495 /nfs/dbraw/zinc/02/54/95/564025495.db2.gz WSCZPKKDYSAYBJ-UHFFFAOYSA-N 0 0 336.782 4.756 50 0 EJAARN CCN(C(=O)Nc1ccc(C)cc1C)[C@@H](C)c1cccc(OC)c1 ZINC000047322370 564026161 /nfs/dbraw/zinc/02/61/61/564026161.db2.gz NXUGGZUNDHHRHM-INIZCTEOSA-N 0 0 326.440 4.927 50 0 EJAARN CC(=O)Nc1cccc(NC(=O)N(C)[C@@H](C)c2ccccc2Cl)c1 ZINC000047388938 564026217 /nfs/dbraw/zinc/02/62/17/564026217.db2.gz MEOUSRVENIOOEA-LBPRGKRZSA-N 0 0 345.830 4.523 50 0 EJAARN O=C(/C=C\c1ccccn1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000047520517 564026405 /nfs/dbraw/zinc/02/64/05/564026405.db2.gz MYXNMGASYTWRMT-SEYXRHQNSA-N 0 0 341.370 4.542 50 0 EJAARN CCC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 ZINC000044790784 564027157 /nfs/dbraw/zinc/02/71/57/564027157.db2.gz SDBPLFNYXCDADI-UHFFFAOYSA-N 0 0 344.414 4.954 50 0 EJAARN Cc1ccc(-c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)n[nH]2)cc1 ZINC000044837735 564027287 /nfs/dbraw/zinc/02/72/87/564027287.db2.gz SPGSYGSWYVRDIK-UHFFFAOYSA-N 0 0 346.217 4.944 50 0 EJAARN Cc1noc2nc(-c3cccs3)cc(C(=O)N(C)c3ccccc3)c12 ZINC000045629964 564028543 /nfs/dbraw/zinc/02/85/43/564028543.db2.gz LWRKTOXNTLYMMS-UHFFFAOYSA-N 0 0 349.415 4.536 50 0 EJAARN O=C1C(=O)N(Cc2ccccc2)[C@H](c2ccccc2)C1c1ccccc1 ZINC000045941293 564028978 /nfs/dbraw/zinc/02/89/78/564028978.db2.gz VFOOQEILBHTQFR-OAQYLSRUSA-N 0 0 341.410 4.739 50 0 biogenic EJAARN COc1ccc(CCC(=O)N2CCC[C@H]2c2ccccc2Cl)cc1 ZINC000046018111 564029227 /nfs/dbraw/zinc/02/92/27/564029227.db2.gz AWEHWQPKTFZFLZ-IBGZPJMESA-N 0 0 343.854 4.645 50 0 EJAARN FC(F)n1c(CN2CCC[C@@H]2c2ccsc2)nc2ccccc21 ZINC000046088236 564029506 /nfs/dbraw/zinc/02/95/06/564029506.db2.gz ORDQGPVMDMQVCK-CQSZACIVSA-N 0 0 333.407 4.830 50 0 EJAARN CCSc1ccccc1NC(=O)N1CCC[C@@H]1c1ccncc1 ZINC000047857375 564029750 /nfs/dbraw/zinc/02/97/50/564029750.db2.gz GSIJSKTVTHNDRG-MRXNPFEDSA-N 0 0 327.453 4.563 50 0 EJAARN CC(C)Sc1ncccc1C(=O)N(C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000048249436 564030206 /nfs/dbraw/zinc/03/02/06/564030206.db2.gz RTEWZZYNAUKXIY-CZUORRHYSA-N 0 0 344.480 4.571 50 0 EJAARN COc1cc(Cl)c(C)cc1N[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000048264253 564030367 /nfs/dbraw/zinc/03/03/67/564030367.db2.gz YVIUGGUIGHZUGO-LBPRGKRZSA-N 0 0 343.814 4.880 50 0 EJAARN COc1ccc(CN(C(=O)c2oc3ccccc3c2C)C2CC2)cc1 ZINC000048291077 564030563 /nfs/dbraw/zinc/03/05/63/564030563.db2.gz IGSQSZOCHPZQQK-UHFFFAOYSA-N 0 0 335.403 4.555 50 0 EJAARN COc1cc([C@@H](C)NC(=O)c2ccsc2)ccc1OC1CCCC1 ZINC000048339915 564031195 /nfs/dbraw/zinc/03/11/95/564031195.db2.gz QHUAYSFESDPTLH-CYBMUJFWSA-N 0 0 345.464 4.569 50 0 EJAARN CCN(C(=O)c1nc(-c2cccs2)oc1C)c1ccccc1C ZINC000048374757 564031681 /nfs/dbraw/zinc/03/16/81/564031681.db2.gz FHXOEEICIBLJAV-UHFFFAOYSA-N 0 0 326.421 4.687 50 0 EJAARN C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43C)[C@H]1CC[C@@]21CCC(=O)O1 ZINC000042862434 564031724 /nfs/dbraw/zinc/03/17/24/564031724.db2.gz UWBICEKKOYXZRG-BXOMYGOZSA-N 0 0 342.479 4.594 50 0 EJAARN Fc1cc(NCc2cc(-c3ccccc3)no2)ccc1OC(F)F ZINC000114452336 564032994 /nfs/dbraw/zinc/03/29/94/564032994.db2.gz GPMWRYHEKYYIOH-UHFFFAOYSA-N 0 0 334.297 4.694 50 0 EJAARN O=C(N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2)c1ccncc1 ZINC000024658801 564033219 /nfs/dbraw/zinc/03/32/19/564033219.db2.gz WEUWAKXLNMIHFT-HXUWFJFHSA-N 0 0 348.471 4.541 50 0 EJAARN Cc1cc(Nc2cccc(C)c2C)n2nc(-c3ccccc3C)nc2n1 ZINC000006748206 564033424 /nfs/dbraw/zinc/03/34/24/564033424.db2.gz AYWRJVNZDNWVPY-UHFFFAOYSA-N 0 0 343.434 4.769 50 0 EJAARN CCn1cc(CCC(=O)N[C@@H]2CCCc3ccccc32)c2ccccc21 ZINC000006857990 564033665 /nfs/dbraw/zinc/03/36/65/564033665.db2.gz LJHBQKIKKMWASJ-OAQYLSRUSA-N 0 0 346.474 4.788 50 0 EJAARN COc1ccc2c(c1)CCCN2C(=O)c1cc(SC)ccc1Cl ZINC000024874673 564034208 /nfs/dbraw/zinc/03/42/08/564034208.db2.gz FRHHUBCGDSLDQC-UHFFFAOYSA-N 0 0 347.867 4.664 50 0 EJAARN O=C1OC(c2ccccc2Cl)=N/C1=C/c1ccc(-c2ccccc2)o1 ZINC000000799578 564034421 /nfs/dbraw/zinc/03/44/21/564034421.db2.gz QFVDTTVWJDOOMD-SFQUDFHCSA-N 0 0 349.773 4.945 50 0 EJAARN CC(C)c1ccc(C(=O)CSc2nnc(C3CC3)n2C2CC2)cc1 ZINC000007904905 564034582 /nfs/dbraw/zinc/03/45/82/564034582.db2.gz WZQKYBXNTFRGBC-UHFFFAOYSA-N 0 0 341.480 4.589 50 0 EJAARN Cc1nc2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2nc1C ZINC000008060816 564034647 /nfs/dbraw/zinc/03/46/47/564034647.db2.gz HUGCSLMSWWARDF-UHFFFAOYSA-N 0 0 345.324 4.518 50 0 EJAARN CC[C@@H](Oc1ccccc1F)C(=O)Nc1cccc(Cl)c1Cl ZINC000008040907 564034667 /nfs/dbraw/zinc/03/46/67/564034667.db2.gz BITWDLPPPHNJHR-CYBMUJFWSA-N 0 0 342.197 4.929 50 0 EJAARN COC(=O)c1ccc(CSc2nc(C)c(C)n2C2CCCCC2)o1 ZINC000024932698 564034763 /nfs/dbraw/zinc/03/47/63/564034763.db2.gz NIGSCWLUPKKGRO-UHFFFAOYSA-N 0 0 348.468 4.677 50 0 EJAARN CSCc1ccc(C(=O)N[C@H](C)c2cc3ccccc3o2)cc1 ZINC000008239326 564034936 /nfs/dbraw/zinc/03/49/36/564034936.db2.gz XNEYKJKMUHOIRB-CYBMUJFWSA-N 0 0 325.433 4.787 50 0 EJAARN O=C(NCc1nc(C2CCCCC2)cs1)c1ccccc1Cl ZINC000390830616 564034982 /nfs/dbraw/zinc/03/49/82/564034982.db2.gz MFLVQGDZFFNGOK-UHFFFAOYSA-N 0 0 334.872 4.774 50 0 EJAARN O=C(/C=C/c1ccc(OC(F)(F)F)cc1)Nc1ccc(Cl)cc1 ZINC000000112683 564042373 /nfs/dbraw/zinc/04/23/73/564042373.db2.gz MIVCMSICAPTAFE-XCVCLJGOSA-N 0 0 341.716 4.891 50 0 EJAARN Cc1ccc(N[C@H](C)c2cn3ccccc3n2)cc1Br ZINC000225411163 564046501 /nfs/dbraw/zinc/04/65/01/564046501.db2.gz GFYFGXKZLJZVLF-GFCCVEGCSA-N 0 0 330.229 4.578 50 0 EJAARN FC(F)(F)c1cnc(CNc2cccnc2-c2ccccc2)s1 ZINC000225429061 564046642 /nfs/dbraw/zinc/04/66/42/564046642.db2.gz JIXRZZAQNHNLJD-UHFFFAOYSA-N 0 0 335.354 4.836 50 0 EJAARN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCC[C@]2(CC=CCC2)C1 ZINC000225432013 564046672 /nfs/dbraw/zinc/04/66/72/564046672.db2.gz AJINTEZIGPGTJZ-ZMSDIMECSA-N 0 0 344.421 4.639 50 0 EJAARN C[C@@H](Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1cc(F)cc(F)c1 ZINC000225555895 564047783 /nfs/dbraw/zinc/04/77/83/564047783.db2.gz ZXSVJCXXEVBMIH-SMHULIPUSA-N 0 0 347.405 4.820 50 0 EJAARN c1csc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)c1 ZINC000225684753 564049374 /nfs/dbraw/zinc/04/93/74/564049374.db2.gz GOWACXPZKVVISS-PXNSSMCTSA-N 0 0 332.428 4.990 50 0 EJAARN CC(=O)c1cccc(NC(=O)[C@H](C)Sc2c(C)cc(C)cc2C)c1 ZINC000005787041 564052140 /nfs/dbraw/zinc/05/21/40/564052140.db2.gz UWWRMQRUEFSBPA-INIZCTEOSA-N 0 0 341.476 4.934 50 0 EJAARN CCCC[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc2c(c1)COC2 ZINC000244795113 564052256 /nfs/dbraw/zinc/05/22/56/564052256.db2.gz QZTOOMKMNWTDPA-IBGZPJMESA-N 0 0 339.439 4.507 50 0 EJAARN CC(C)n1cccc1C(=O)N1CCCCC[C@@H]1c1cccc(F)c1 ZINC000244724656 564052267 /nfs/dbraw/zinc/05/22/67/564052267.db2.gz MYDJFIIGKFMVJD-GOSISDBHSA-N 0 0 328.431 4.966 50 0 EJAARN O=C(Nc1c(-c2ccc(F)cc2)nc2sccn21)c1ccsc1 ZINC000018706231 564052546 /nfs/dbraw/zinc/05/25/46/564052546.db2.gz RZSZZGMUXKYMTH-UHFFFAOYSA-N 0 0 343.408 4.516 50 0 EJAARN CCN(C(=O)c1cccs1)c1nc(-c2ccc(C)cc2)cs1 ZINC000000932663 564053320 /nfs/dbraw/zinc/05/33/20/564053320.db2.gz FSWSRUCVIBHRMF-UHFFFAOYSA-N 0 0 328.462 4.847 50 0 EJAARN CC(C)(C)C(=O)C[C@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC000252484706 564053416 /nfs/dbraw/zinc/05/34/16/564053416.db2.gz GFCSUTJOAMZKFA-SFHVURJKSA-N 0 0 339.435 4.659 50 0 EJAARN CCN1C(=O)c2ccccc2/C(=C/c2ccc(Cl)c(Cl)c2)C1=O ZINC000222375998 564053607 /nfs/dbraw/zinc/05/36/07/564053607.db2.gz FLFFCQNACFMZDZ-ZROIWOOFSA-N 0 0 346.213 4.536 50 0 EJAARN O=C(CNc1ccc(Cl)cc1F)Nc1ccc(C(F)(F)F)cc1 ZINC000015122770 564053727 /nfs/dbraw/zinc/05/37/27/564053727.db2.gz WUHDGXDJXROHMF-UHFFFAOYSA-N 0 0 346.711 4.549 50 0 EJAARN O=C(Nc1nc2ccc(Cl)cc2s1)[C@H]1C[C@H]1c1ccccc1 ZINC000000999393 564053919 /nfs/dbraw/zinc/05/39/19/564053919.db2.gz OXNAXRHJNUMJHJ-STQMWFEESA-N 0 0 328.824 4.692 50 0 EJAARN Cc1ccc(CN2C(=O)S/C(=C\c3ccc(Cl)cc3)C2=O)cc1 ZINC000001018942 564054045 /nfs/dbraw/zinc/05/40/45/564054045.db2.gz KZLKXQJXVRKSKW-YBEGLDIGSA-N 0 0 343.835 4.885 50 0 EJAARN Cc1cc(C)c2c(n1)sc(NC(=O)OC(C)C)c2-n1cccc1 ZINC000001102069 564054367 /nfs/dbraw/zinc/05/43/67/564054367.db2.gz MFNCFTZOIXGWAC-UHFFFAOYSA-N 0 0 329.425 4.661 50 0 EJAARN CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000257345598 564055853 /nfs/dbraw/zinc/05/58/53/564055853.db2.gz CGMZETDGTMDEAD-YLMBYVEPSA-N 0 0 332.528 4.841 50 0 EJAARN CC(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC[C@]4(C)CCC[C@H]4[C@H]3CC[C@H]2CC1=O ZINC000257345749 564055862 /nfs/dbraw/zinc/05/58/62/564055862.db2.gz IBJSQLOPRJPKPB-GSIXCFPSSA-N 0 0 332.484 4.530 50 0 EJAARN CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257359012 564056013 /nfs/dbraw/zinc/05/60/13/564056013.db2.gz XXSFRYVGIQYVIQ-KLAVMKGYSA-N 0 0 330.512 4.761 50 0 EJAARN O=C(Nc1cc(-c2ccc(Cl)cc2)[nH]n1)c1ccc(Cl)cc1 ZINC000263640086 564056518 /nfs/dbraw/zinc/05/65/18/564056518.db2.gz XAIHVVCWQJBGLD-UHFFFAOYSA-N 0 0 332.190 4.636 50 0 EJAARN O=C(Cc1ccc(Cl)cc1)OCc1ccc(Cl)cc1Cl ZINC000005859947 564056663 /nfs/dbraw/zinc/05/66/63/564056663.db2.gz LYOFASJGCJASMS-UHFFFAOYSA-N 0 0 329.610 4.933 50 0 EJAARN Cc1ccc(OCCSc2nnc3cc(C)c4ccccc4n32)cc1 ZINC000005885011 564056825 /nfs/dbraw/zinc/05/68/25/564056825.db2.gz MNFNQHLSQSYJQY-UHFFFAOYSA-N 0 0 349.459 4.670 50 0 EJAARN Cc1nc2scc(-c3cccs3)c2c(NCc2ccco2)n1 ZINC000005937170 564057069 /nfs/dbraw/zinc/05/70/69/564057069.db2.gz IYDRADHXHVJFSX-UHFFFAOYSA-N 0 0 327.434 4.933 50 0 EJAARN C[C@H](NC(=O)CSc1c(Cl)cccc1Cl)c1ccccc1 ZINC000006000457 564057515 /nfs/dbraw/zinc/05/75/15/564057515.db2.gz UOHQUXLCYYJXAD-NSHDSACASA-N 0 0 340.275 4.963 50 0 EJAARN c1ccc(C(CCNc2ccc3nccnc3n2)c2ccccc2)cc1 ZINC000063507874 564057672 /nfs/dbraw/zinc/05/76/72/564057672.db2.gz WRHPISZXPFECSP-UHFFFAOYSA-N 0 0 340.430 4.659 50 0 EJAARN CCN(Cc1ccncc1)C(=O)c1sc2cc(F)ccc2c1Cl ZINC000012531424 564058290 /nfs/dbraw/zinc/05/82/90/564058290.db2.gz IVFYSDZOEMVKFU-UHFFFAOYSA-N 0 0 348.830 4.751 50 0 EJAARN C[C@H](Cc1cccs1)NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000003211527 564058501 /nfs/dbraw/zinc/05/85/01/564058501.db2.gz SUTXKQMQDNIBSV-SECBINFHSA-N 0 0 329.252 4.808 50 0 EJAARN Brc1ccc(CSc2ncnc3ccccc32)cc1 ZINC000003253715 564058741 /nfs/dbraw/zinc/05/87/41/564058741.db2.gz UWSOAOPDZYNZTG-UHFFFAOYSA-N 0 0 331.238 4.685 50 0 EJAARN C[C@H]1CCCN(CC(=O)N2c3ccccc3Sc3ccccc32)C1 ZINC000003456289 564059749 /nfs/dbraw/zinc/05/97/49/564059749.db2.gz RQSGIUPWCLBWNG-HNNXBMFYSA-N 0 0 338.476 4.548 50 0 EJAARN O=C(CCc1c[nH]c2ccccc12)Nc1ccc(Br)cc1 ZINC000003598385 564060024 /nfs/dbraw/zinc/06/00/24/564060024.db2.gz RXCWFRPLFPBBEK-UHFFFAOYSA-N 0 0 343.224 4.502 50 0 EJAARN CCn1c2ccccc2nc1SCCOc1ccc(Cl)cc1 ZINC000003671929 564060188 /nfs/dbraw/zinc/06/01/88/564060188.db2.gz VQWATLZUSQKCAJ-UHFFFAOYSA-N 0 0 332.856 4.881 50 0 EJAARN Brc1ccc(-c2csc(NC3CCCC3)n2)s1 ZINC000012599815 564060361 /nfs/dbraw/zinc/06/03/61/564060361.db2.gz XSVCLYBMBSIQFR-UHFFFAOYSA-N 0 0 329.288 4.989 50 0 EJAARN COc1ccc(-c2nc3cc(C(F)(F)F)ccc3n3ccnc23)cc1 ZINC000012600054 564060357 /nfs/dbraw/zinc/06/03/57/564060357.db2.gz GWKBAGTUTNEKIW-UHFFFAOYSA-N 0 0 343.308 4.577 50 0 EJAARN O=C(Cc1ccccc1Cl)Nc1ccccc1N1CCCCC1 ZINC000012608042 564060529 /nfs/dbraw/zinc/06/05/29/564060529.db2.gz KQXQLYDBILLZBK-UHFFFAOYSA-N 0 0 328.843 4.512 50 0 EJAARN CC(C)(C)c1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1 ZINC000012616828 564060654 /nfs/dbraw/zinc/06/06/54/564060654.db2.gz QOVJVHOHBABCMU-UHFFFAOYSA-N 0 0 339.464 4.591 50 0 EJAARN O=C1CC[C@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)O1 ZINC000299804051 564060843 /nfs/dbraw/zinc/06/08/43/564060843.db2.gz VJLGDGZIQFQJOV-QFIPXVFZSA-N 0 0 344.410 4.658 50 0 EJAARN O=C(c1ccc(-c2cc(F)ccc2C(F)(F)F)cc1)N1CCCC1 ZINC000534581242 564061127 /nfs/dbraw/zinc/06/11/27/564061127.db2.gz OFQGTVZPMPIMFK-UHFFFAOYSA-N 0 0 337.316 4.748 50 0 EJAARN O=C1C[C@H](c2ccco2)c2cn(Cc3ccccc3)c3cccc(c23)N1 ZINC000263586067 564061507 /nfs/dbraw/zinc/06/15/07/564061507.db2.gz POKLXUIHFXWENG-INIZCTEOSA-N 0 0 342.398 4.757 50 0 biogenic EJAARN Cc1nc2c3ccccc3oc2c(SCc2nc3ccccc3[nH]2)n1 ZINC000004039417 564061646 /nfs/dbraw/zinc/06/16/46/564061646.db2.gz FSHFRKKIBVABAJ-UHFFFAOYSA-N 0 0 346.415 4.853 50 0 EJAARN COc1ccc(C)cc1NC(=O)c1cc2c(o1)c1ccccc1nc2C ZINC000004035802 564061653 /nfs/dbraw/zinc/06/16/53/564061653.db2.gz VLFIYPZNDWGKQF-UHFFFAOYSA-N 0 0 346.386 4.859 50 0 EJAARN Cc1occc1-c1nnc(SCc2csc(-c3ccoc3)n2)o1 ZINC000078566159 564062068 /nfs/dbraw/zinc/06/20/68/564062068.db2.gz TXAZDJZDRTVERO-UHFFFAOYSA-N 0 0 345.405 4.647 50 0 EJAARN COc1ccccc1-c1cc(=O)oc(-c2ccc(Cl)cc2Cl)n1 ZINC000001297222 564063029 /nfs/dbraw/zinc/06/30/29/564063029.db2.gz LOCCZUSJIXFLPU-UHFFFAOYSA-N 0 0 348.185 4.684 50 0 EJAARN O=C(COC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000001312079 564063132 /nfs/dbraw/zinc/06/31/32/564063132.db2.gz UNVONBMQKKZECJ-UHFFFAOYSA-N 0 0 343.593 4.687 50 0 EJAARN O=C(CSc1nc(-c2ccccc2)ns1)c1ccc(Cl)cc1 ZINC000004167312 564063804 /nfs/dbraw/zinc/06/38/04/564063804.db2.gz RLRSENDATWJEFV-UHFFFAOYSA-N 0 0 346.864 4.834 50 0 EJAARN Cc1ccc(NC(=O)[C@H](C)Oc2cccc(C(F)(F)F)c2)c(C)c1 ZINC000012729006 564063934 /nfs/dbraw/zinc/06/39/34/564063934.db2.gz WSALXNWCPARLGZ-ZDUSSCGKSA-N 0 0 337.341 4.728 50 0 EJAARN Cc1ccc(C(=O)n2ccc(-c3cnc(-c4ccccc4)s3)n2)cc1 ZINC000001388996 564064346 /nfs/dbraw/zinc/06/43/46/564064346.db2.gz POIMOLVEXZWRSH-UHFFFAOYSA-N 0 0 345.427 4.671 50 0 EJAARN COC(=O)c1ccc2c(c1)CCCN2Cc1cccc2ccccc21 ZINC000083895860 564064409 /nfs/dbraw/zinc/06/44/09/564064409.db2.gz NLGKLNLGSRPLBT-UHFFFAOYSA-N 0 0 331.415 4.579 50 0 EJAARN FC(F)(F)c1nnc(-c2ccccc2)nc1SCc1ccccc1 ZINC000001390220 564064459 /nfs/dbraw/zinc/06/44/59/564064459.db2.gz TYACPKWCYVUGKN-UHFFFAOYSA-N 0 0 347.365 4.850 50 0 EJAARN CC(C)(C)[C@H]1COc2ccccc2N1C(=O)c1cccc(Cl)c1 ZINC000001392396 564064558 /nfs/dbraw/zinc/06/45/58/564064558.db2.gz VASIBLKLOJMDAS-QGZVFWFLSA-N 0 0 329.827 4.794 50 0 EJAARN O=C(Nc1ccc(N2CCCCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000001393168 564064627 /nfs/dbraw/zinc/06/46/27/564064627.db2.gz LLQHJFZHYFCHNC-UHFFFAOYSA-N 0 0 348.368 4.948 50 0 EJAARN Cc1cc(-c2ccccc2)nc(Cl)c1S(=O)(=O)c1ccccc1 ZINC000001393811 564064634 /nfs/dbraw/zinc/06/46/34/564064634.db2.gz BGCZYRWYSYLRLL-UHFFFAOYSA-N 0 0 343.835 4.543 50 0 EJAARN Cc1ccccc1NC(=O)[C@@H](C)n1c2ccccc2nc1C(F)(F)F ZINC000001394814 564064661 /nfs/dbraw/zinc/06/46/61/564064661.db2.gz KLDMBDJHXMWNJW-GFCCVEGCSA-N 0 0 347.340 4.563 50 0 EJAARN CC(=O)N[C@H](C)CCc1ccc(-c2csc(-c3ccco3)n2)cc1 ZINC000012738220 564064685 /nfs/dbraw/zinc/06/46/85/564064685.db2.gz VHMUKGBFTAKMAN-CYBMUJFWSA-N 0 0 340.448 4.527 50 0 EJAARN COc1ccccc1CC(=O)N(Cc1ccccc1)c1ccc(C)cc1 ZINC000012738094 564064690 /nfs/dbraw/zinc/06/46/90/564064690.db2.gz IOMOUYLJHBSUBJ-UHFFFAOYSA-N 0 0 345.442 4.780 50 0 EJAARN O=S1(=O)CC[C@H](SCc2ccc(Cl)cc2)c2ccsc21 ZINC000001398529 564064804 /nfs/dbraw/zinc/06/48/04/564064804.db2.gz LEQAXNTTYOGPGY-ZDUSSCGKSA-N 0 0 344.910 4.553 50 0 EJAARN Cc1c([C@@H](C)OC(=O)Nc2ccc(Cl)cc2)sc2nccn12 ZINC000001396216 564064882 /nfs/dbraw/zinc/06/48/82/564064882.db2.gz IUQKVBOMVWYIQH-SNVBAGLBSA-N 0 0 335.816 4.667 50 0 EJAARN O=C(CSCc1ccccc1Cl)Nc1ccccc1Cl ZINC000001400558 564064964 /nfs/dbraw/zinc/06/49/64/564064964.db2.gz WWHNAXRZSPZIDD-UHFFFAOYSA-N 0 0 326.248 4.865 50 0 EJAARN O=S(=O)(CSc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000001400283 564064988 /nfs/dbraw/zinc/06/49/88/564064988.db2.gz IRBXEBMMQCXXDG-UHFFFAOYSA-N 0 0 333.261 4.517 50 0 EJAARN Fc1cccc(Cl)c1[C@H]1NC(=S)N=C2c3ccccc3CCC21 ZINC000001407518 564065274 /nfs/dbraw/zinc/06/52/74/564065274.db2.gz OHFUGXXBNSPDOQ-KRWDZBQOSA-N 0 0 344.842 4.767 50 0 EJAARN Cc1sc2nc(-c3ccccc3)nc(N3CCSCC3)c2c1C ZINC000084065495 564066014 /nfs/dbraw/zinc/06/60/14/564066014.db2.gz LVEAKPBPVNXOLF-UHFFFAOYSA-N 0 0 341.505 4.528 50 0 EJAARN CCc1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)cc1 ZINC000012748366 564066027 /nfs/dbraw/zinc/06/60/27/564066027.db2.gz XMTOPXATBOUISW-UHFFFAOYSA-N 0 0 328.462 4.615 50 0 EJAARN Cc1ccc(OCCS[C@@H](C)C(=O)Nc2cc(C)ccc2C)cc1 ZINC000015492216 564066388 /nfs/dbraw/zinc/06/63/88/564066388.db2.gz MWESJMVCLJTBLI-KRWDZBQOSA-N 0 0 343.492 4.751 50 0 EJAARN Cc1cc(NCc2cccnc2N2CCCCC2)nc2ccccc12 ZINC000084114832 564066722 /nfs/dbraw/zinc/06/67/22/564066722.db2.gz XSSDFOLPQWHTQD-UHFFFAOYSA-N 0 0 332.451 4.541 50 0 EJAARN C[C@@]12c3ccccc3C(C)(C)C[C@]1(C)OC(=O)N2Cc1ccccc1 ZINC000001430481 564066933 /nfs/dbraw/zinc/06/69/33/564066933.db2.gz YKHFUHFZOPAGCY-FCHUYYIVSA-N 0 0 335.447 4.994 50 0 EJAARN C[C@]12CC(C)(C)c3ccccc3[C@]1(C)N(Cc1ccccc1)C(=O)O2 ZINC000001430482 564066953 /nfs/dbraw/zinc/06/69/53/564066953.db2.gz YKHFUHFZOPAGCY-VXKWHMMOSA-N 0 0 335.447 4.994 50 0 EJAARN O=C(c1csc(-c2ccsc2)n1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000012751889 564067030 /nfs/dbraw/zinc/06/70/30/564067030.db2.gz LXTOMDZFDXCGNQ-QWHCGFSZSA-N 0 0 332.494 4.524 50 0 EJAARN CCN(Cc1ccccn1)C(=O)N[C@@H](C)c1csc2ccccc21 ZINC000084157948 564067077 /nfs/dbraw/zinc/06/70/77/564067077.db2.gz UAJISRAQNNPBCB-AWEZNQCLSA-N 0 0 339.464 4.589 50 0 EJAARN Cc1ccccc1-c1cc(NCc2csc(C(C)(C)C)n2)n(C)n1 ZINC000084247665 564067516 /nfs/dbraw/zinc/06/75/16/564067516.db2.gz JSTJYGHUNGGAOA-UHFFFAOYSA-N 0 0 340.496 4.762 50 0 EJAARN Cc1nc2ccc(NC(=O)CCOc3cccc4ccccc43)cc2o1 ZINC000084290319 564067698 /nfs/dbraw/zinc/06/76/98/564067698.db2.gz VSYVNMSQWKBVOB-UHFFFAOYSA-N 0 0 346.386 4.697 50 0 EJAARN CCN(Cc1ccccn1)C(=O)Nc1cccc([C@@H](C)SC)c1 ZINC000084322637 564067770 /nfs/dbraw/zinc/06/77/70/564067770.db2.gz GNUGGQOCFSRAEB-CQSZACIVSA-N 0 0 329.469 4.560 50 0 EJAARN CC[C@H](C)C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC000012764664 564067913 /nfs/dbraw/zinc/06/79/13/564067913.db2.gz BUXWFLQNLNNATD-JTQLQIEISA-N 0 0 342.386 4.737 50 0 EJAARN Cc1ccc(CN(C)C(=O)CCc2ncc(-c3ccccc3)o2)c(C)c1 ZINC000012764946 564067937 /nfs/dbraw/zinc/06/79/37/564067937.db2.gz NINMHTPYRWNIHD-UHFFFAOYSA-N 0 0 348.446 4.550 50 0 EJAARN C[C@@H](c1cccnc1)N(C(=O)c1ccc(-c2cscn2)cc1)C1CC1 ZINC000087238562 564068052 /nfs/dbraw/zinc/06/80/52/564068052.db2.gz QSDWEJYXORNGOP-AWEZNQCLSA-N 0 0 349.459 4.571 50 0 EJAARN C[C@H](NC(=O)c1ccccc1COc1ccccc1)c1ccccc1 ZINC000012766930 564068091 /nfs/dbraw/zinc/06/80/91/564068091.db2.gz XFPRUIHRHVMYDL-KRWDZBQOSA-N 0 0 331.415 4.757 50 0 EJAARN C[C@@H](NC(=O)c1ccccc1COc1ccccc1)c1ccccc1 ZINC000012766926 564068106 /nfs/dbraw/zinc/06/81/06/564068106.db2.gz XFPRUIHRHVMYDL-QGZVFWFLSA-N 0 0 331.415 4.757 50 0 EJAARN c1cn(-c2ccccc2)c(SCc2cc(-c3ccccc3)on2)n1 ZINC000084560109 564068669 /nfs/dbraw/zinc/06/86/69/564068669.db2.gz CLXWHIJITXXTDU-UHFFFAOYSA-N 0 0 333.416 4.820 50 0 EJAARN O=C(Cn1ccc2ccccc21)Oc1ccccc1-c1ccccc1 ZINC000084562847 564068728 /nfs/dbraw/zinc/06/87/28/564068728.db2.gz AUNYHPZCSXERTJ-UHFFFAOYSA-N 0 0 327.383 4.914 50 0 EJAARN O=C(Nc1ccc(OC2CCCC2)cc1)[C@@H]1Cc2ccccc2S1 ZINC000084581783 564068782 /nfs/dbraw/zinc/06/87/82/564068782.db2.gz UWZPDXAAXFYROT-IBGZPJMESA-N 0 0 339.460 4.664 50 0 EJAARN Cc1ccc(OCc2nc(C(=O)Nc3cccc(C)c3)cs2)cc1 ZINC000012770343 564068818 /nfs/dbraw/zinc/06/88/18/564068818.db2.gz XUMZIAQHUCRZIE-UHFFFAOYSA-N 0 0 338.432 4.591 50 0 EJAARN O=C(Nc1nc2c(s1)CCCCC2)c1ccccc1C(F)(F)F ZINC000012771775 564068947 /nfs/dbraw/zinc/06/89/47/564068947.db2.gz JZRRLGJPCDTVRU-UHFFFAOYSA-N 0 0 340.370 4.683 50 0 EJAARN CSc1cccc(NC(=O)c2csc(-c3cccs3)n2)c1 ZINC000012771915 564068957 /nfs/dbraw/zinc/06/89/57/564068957.db2.gz BAFLWYQPYCVVGY-UHFFFAOYSA-N 0 0 332.475 4.846 50 0 EJAARN CC(C)c1cc(C(=O)N2CCC[C@H]2CC(C)(C)C)nn1C(C)(C)C ZINC000084622458 564069179 /nfs/dbraw/zinc/06/91/79/564069179.db2.gz DFXZYCFJKLLXIO-HNNXBMFYSA-N 0 0 333.520 4.802 50 0 EJAARN CCN(C(=O)c1cc(Cl)ccc1F)c1nc2ccccc2s1 ZINC000012776223 564069338 /nfs/dbraw/zinc/06/93/38/564069338.db2.gz HTSQSOQOPOIADB-UHFFFAOYSA-N 0 0 334.803 4.756 50 0 EJAARN C[C@H](NC(=S)N[C@@H]1CCc2c1cccc2Cl)c1ccccc1 ZINC000084656652 564069424 /nfs/dbraw/zinc/06/94/24/564069424.db2.gz MAXCKAIDTGZYAL-YVEFUNNKSA-N 0 0 330.884 4.553 50 0 EJAARN Cc1ccc2c(C)c(CCC(=O)Nc3cc(C)cc(C)c3)c(=O)oc2c1 ZINC000012782629 564070103 /nfs/dbraw/zinc/07/01/03/564070103.db2.gz BACADPDERGSHBX-UHFFFAOYSA-N 0 0 349.430 4.598 50 0 EJAARN Cc1cc(C)cc(NC(=O)c2noc3c2CSc2ccccc2-3)c1 ZINC000015674066 564070533 /nfs/dbraw/zinc/07/05/33/564070533.db2.gz IEZKRUVNJILJTM-UHFFFAOYSA-N 0 0 336.416 4.816 50 0 EJAARN Cc1ccc(-c2noc(CSc3nccn3-c3ccccc3)n2)cc1 ZINC000025964430 564070845 /nfs/dbraw/zinc/07/08/45/564070845.db2.gz OJAKALSFXAUNJI-UHFFFAOYSA-N 0 0 348.431 4.523 50 0 EJAARN Cc1cccc(NC(=O)COc2ccc3c(c2)[nH]c2ccccc23)c1C ZINC000012797605 564072281 /nfs/dbraw/zinc/07/22/81/564072281.db2.gz XETSLZWOFZPYPE-UHFFFAOYSA-N 0 0 344.414 4.955 50 0 EJAARN CCSc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1 ZINC000004304970 564072288 /nfs/dbraw/zinc/07/22/88/564072288.db2.gz NFGMFMKQRJLMIG-UHFFFAOYSA-N 0 0 341.461 4.569 50 0 EJAARN CC[C@H](C)[C@@H](C(=O)Nc1cc(OC)c(OC)cc1C)c1ccccc1 ZINC000012808891 564072585 /nfs/dbraw/zinc/07/25/85/564072585.db2.gz QMHROLAQNAHCLC-VBKZILBWSA-N 0 0 341.451 4.781 50 0 EJAARN CCc1cnc([C@@H](C)NCc2coc(-c3ccc(C)cc3)n2)s1 ZINC000085332104 564072683 /nfs/dbraw/zinc/07/26/83/564072683.db2.gz PLAVCKNKFXGTJP-CYBMUJFWSA-N 0 0 327.453 4.520 50 0 EJAARN CC(C)c1ccc(-n2ccnc(NCCC3=CCCCC3)c2=O)cc1 ZINC000015732443 564072694 /nfs/dbraw/zinc/07/26/94/564072694.db2.gz ZTBMIUDXDMKKMJ-UHFFFAOYSA-N 0 0 337.467 4.658 50 0 EJAARN CC(C)Cc1ccc(-c2cc(C(=O)NC3CC3)c3ccccc3n2)cc1 ZINC000001456711 564072923 /nfs/dbraw/zinc/07/29/23/564072923.db2.gz VZFWLGSFEJQHRL-UHFFFAOYSA-N 0 0 344.458 4.993 50 0 EJAARN O=C(Nc1ccccc1)[C@@H]1CCCN1Cc1ccc(Cl)cc1Cl ZINC000012813341 564072987 /nfs/dbraw/zinc/07/29/87/564072987.db2.gz QHNWQDJXRWVLRK-KRWDZBQOSA-N 0 0 349.261 4.597 50 0 EJAARN C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)c1cccs1 ZINC000012816778 564073191 /nfs/dbraw/zinc/07/31/91/564073191.db2.gz SKIQSLQVLOJNQJ-UWVGGRQHSA-N 0 0 344.263 4.700 50 0 EJAARN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(F)cc1Cl ZINC000012819714 564073312 /nfs/dbraw/zinc/07/33/12/564073312.db2.gz RLYIWDBNKRBBKE-UHFFFAOYSA-N 0 0 344.773 4.624 50 0 EJAARN Cc1sc(Cc2ncc(Cl)n2C)nc1-c1ccc(Cl)cc1 ZINC000063630697 564073616 /nfs/dbraw/zinc/07/36/16/564073616.db2.gz PLCDSLXIQBIEGM-UHFFFAOYSA-N 0 0 338.263 4.750 50 0 EJAARN Cc1oc(-c2ccccc2C)nc1CNC(=O)Nc1ccc(C)cc1 ZINC000015774664 564073831 /nfs/dbraw/zinc/07/38/31/564073831.db2.gz KGZTYUYEKJBEBL-UHFFFAOYSA-N 0 0 335.407 4.589 50 0 EJAARN C[C@H](Sc1ncnc2sccc21)C(=O)c1c[nH]c2ccccc21 ZINC000006115364 564074394 /nfs/dbraw/zinc/07/43/94/564074394.db2.gz NAZUGVWJFYIQRY-JTQLQIEISA-N 0 0 339.445 4.536 50 0 EJAARN CC(=O)c1ccccc1NC(=O)c1csc(-c2ccc(C)cc2)n1 ZINC000012821299 564074505 /nfs/dbraw/zinc/07/45/05/564074505.db2.gz RKYNGEGZMXJBIV-UHFFFAOYSA-N 0 0 336.416 4.573 50 0 EJAARN O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc(F)cc1F ZINC000012822171 564074644 /nfs/dbraw/zinc/07/46/44/564074644.db2.gz QZYWOSBOUVIHPS-UHFFFAOYSA-N 0 0 345.345 4.649 50 0 EJAARN O=C(Nc1nc2c(s1)CCCC2)c1ccc(Cl)cc1Cl ZINC000001505611 564074736 /nfs/dbraw/zinc/07/47/36/564074736.db2.gz ZAXHGTGDQUUJMG-UHFFFAOYSA-N 0 0 327.236 4.581 50 0 EJAARN Cc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(C)cc3)c2)cc1 ZINC000000121394 564074947 /nfs/dbraw/zinc/07/49/47/564074947.db2.gz SDGLCWWBAIPQMB-UHFFFAOYSA-N 0 0 344.414 4.808 50 0 EJAARN CCCCCC(=O)ON=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1 ZINC000005308432 564075190 /nfs/dbraw/zinc/07/51/90/564075190.db2.gz UFLJNIYPLVKJCZ-UHFFFAOYSA-N 0 0 333.472 4.994 50 0 EJAARN COc1cccc(C(=O)Nc2ccc(OC)c(Cc3ccccc3)c2)c1 ZINC000012855639 564075507 /nfs/dbraw/zinc/07/55/07/564075507.db2.gz YBOBGEXCTVDSCF-UHFFFAOYSA-N 0 0 347.414 4.547 50 0 EJAARN COc1ccc2nc(NC(=O)c3ccc4ccccc4c3)sc2c1 ZINC000001518252 564075701 /nfs/dbraw/zinc/07/57/01/564075701.db2.gz PFTSDFZZUYZYAD-UHFFFAOYSA-N 0 0 334.400 4.710 50 0 EJAARN O=C(Nc1ccc(Br)cc1)Nc1ccccc1Cl ZINC000000397978 564075924 /nfs/dbraw/zinc/07/59/24/564075924.db2.gz NYAZLGCEBGXYEJ-UHFFFAOYSA-N 0 0 325.593 4.747 50 0 EJAARN COc1ccc(OC(=O)Nc2cc(Cl)ccc2OC)c(Cl)c1 ZINC000000397742 564075930 /nfs/dbraw/zinc/07/59/30/564075930.db2.gz MWLXPFVSJIHIJS-UHFFFAOYSA-N 0 0 342.178 4.622 50 0 EJAARN CCOC(=O)c1ccc(NC(=O)Oc2ccccc2C(C)C)cc1 ZINC000000399639 564075953 /nfs/dbraw/zinc/07/59/53/564075953.db2.gz IWILCVPOXBJQQJ-UHFFFAOYSA-N 0 0 327.380 4.598 50 0 EJAARN CC(C)(C)c1ccc(C(=O)N2CCc3cc4ccccc4nc32)cc1 ZINC000015841761 564076647 /nfs/dbraw/zinc/07/66/47/564076647.db2.gz SYXNOZYQAUUKKW-UHFFFAOYSA-N 0 0 330.431 4.735 50 0 EJAARN COc1ccc(/C=C\C(=O)Nc2c(C)cc(C)cc2Cl)cc1OC ZINC000006130430 564076676 /nfs/dbraw/zinc/07/66/76/564076676.db2.gz AFQBDAQCXZCGLM-VURMDHGXSA-N 0 0 345.826 4.626 50 0 EJAARN O=C(Nc1ccccc1CCc1nc2ccccc2[nH]1)c1cccs1 ZINC000015863727 564077096 /nfs/dbraw/zinc/07/70/96/564077096.db2.gz HDSOIMAPKMTYAO-UHFFFAOYSA-N 0 0 347.443 4.662 50 0 EJAARN O=C(CCc1ccc(-c2ccc(F)cc2)o1)Nc1cccc(F)c1 ZINC000015867359 564077186 /nfs/dbraw/zinc/07/71/86/564077186.db2.gz AIDRFRGOVRYDAQ-UHFFFAOYSA-N 0 0 327.330 4.796 50 0 EJAARN O=C(CCc1ccc(-c2ccc(F)cc2)o1)Nc1ccc(F)cc1 ZINC000015867357 564077207 /nfs/dbraw/zinc/07/72/07/564077207.db2.gz FZMDJZLUGKGGQA-UHFFFAOYSA-N 0 0 327.330 4.796 50 0 EJAARN Fc1ccccc1SC[C@@H]1CSc2nnc(-c3ccccc3)n21 ZINC000012898146 564077646 /nfs/dbraw/zinc/07/76/46/564077646.db2.gz HJXMUGGKOJVZOY-CYBMUJFWSA-N 0 0 343.452 4.523 50 0 EJAARN CC(C)c1noc([C@@H](C)N2CC=C(c3c[nH]c4ccccc43)CC2)n1 ZINC000012900243 564077688 /nfs/dbraw/zinc/07/76/88/564077688.db2.gz VSRRRSCSTJPIJN-CQSZACIVSA-N 0 0 336.439 4.525 50 0 EJAARN CCc1cccc(NC(=O)CCCSc2nc3ccccc3[nH]2)c1 ZINC000006187372 564079832 /nfs/dbraw/zinc/07/98/32/564079832.db2.gz VAVBZMDZTHRNEO-UHFFFAOYSA-N 0 0 339.464 4.636 50 0 EJAARN Cc1csc(C2(NC(=O)Nc3ccc(C(C)(C)C)cc3)CCC2)n1 ZINC000075094172 564079928 /nfs/dbraw/zinc/07/99/28/564079928.db2.gz YLVYCIDVVYPDBD-UHFFFAOYSA-N 0 0 343.496 4.950 50 0 EJAARN Fc1ccc(-c2cnc(CN(CC3CCC3)CC(F)(F)F)o2)cc1 ZINC000075104985 564080026 /nfs/dbraw/zinc/08/00/26/564080026.db2.gz ZWWGDEQCTWLCNX-UHFFFAOYSA-N 0 0 342.336 4.645 50 0 EJAARN CCOC(=O)N(C)/C(=C\c1ccccc1)c1ccnc2ccccc21 ZINC000212442808 564080128 /nfs/dbraw/zinc/08/01/28/564080128.db2.gz VXCAMKSGPSOSOW-HKWRFOASSA-N 0 0 332.403 4.821 50 0 EJAARN CC1=C(c2ccccc2)C(=O)N(c2ccccc2)[C@@H](c2ccco2)O1 ZINC000075286441 564081565 /nfs/dbraw/zinc/08/15/65/564081565.db2.gz MSYFASZWEMYEBN-OAQYLSRUSA-N 0 0 331.371 4.773 50 0 EJAARN CCCc1cc2c(cc1NC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C)OCO2 ZINC000001670454 564082221 /nfs/dbraw/zinc/08/22/21/564082221.db2.gz QPHJVFKCXRFWFY-RDTXWAMCSA-N 0 0 329.440 4.545 50 0 in-vitro EJAARN O=C(/C=C/c1ccccc1Cl)NCc1ccc(-c2ccoc2)o1 ZINC000575610962 564082594 /nfs/dbraw/zinc/08/25/94/564082594.db2.gz RQBIMYUKDTXPSY-VMPITWQZSA-N 0 0 327.767 4.523 50 0 EJAARN COc1ccc(-c2nc(NC(=O)c3sccc3C)sc2C)cc1 ZINC000006217416 564082975 /nfs/dbraw/zinc/08/29/75/564082975.db2.gz DWTVZTNUFXWIHD-UHFFFAOYSA-N 0 0 344.461 4.749 50 0 EJAARN O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1ccco1 ZINC000006242917 564083199 /nfs/dbraw/zinc/08/31/99/564083199.db2.gz NDJYPZXMBINAGK-UHFFFAOYSA-N 0 0 338.750 4.994 50 0 EJAARN O=C(CCc1ccccc1)Nc1ccc(Br)cc1Cl ZINC000006260093 564083315 /nfs/dbraw/zinc/08/33/15/564083315.db2.gz RIAGBHTYTPJBQG-UHFFFAOYSA-N 0 0 338.632 4.674 50 0 EJAARN Cc1cccc2sc(NC(=O)c3ccccc3C(F)(F)F)nc21 ZINC000006259912 564083328 /nfs/dbraw/zinc/08/33/28/564083328.db2.gz QYRNOFHSTPKGKS-UHFFFAOYSA-N 0 0 336.338 4.876 50 0 EJAARN C[C@@H](CC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000006286347 564083568 /nfs/dbraw/zinc/08/35/68/564083568.db2.gz AOXRSKUULCGCFZ-BLMXZKBBSA-N 0 0 325.496 4.901 50 0 EJAARN COc1ccc(C(C)(C)C)cc1NC(=O)CSc1ccc(F)cc1 ZINC000006307432 564083784 /nfs/dbraw/zinc/08/37/84/564083784.db2.gz LGNIEIKAKFPEQL-UHFFFAOYSA-N 0 0 347.455 4.863 50 0 EJAARN CCOC(=O)Nc1cccc(-c2nccc3c4ccccc4[nH]c32)c1 ZINC000090471344 564084460 /nfs/dbraw/zinc/08/44/60/564084460.db2.gz AQDZYCQXYSAVHC-UHFFFAOYSA-N 0 0 331.375 4.952 50 0 EJAARN Cc1ccc(Nc2nc(C(=O)NC(C)C)cc3occc32)cc1Cl ZINC000075436699 564084756 /nfs/dbraw/zinc/08/47/56/564084756.db2.gz VKTWISNJHKSYOE-UHFFFAOYSA-N 0 0 343.814 4.671 50 0 EJAARN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cccnc1 ZINC000006342816 564085140 /nfs/dbraw/zinc/08/51/40/564085140.db2.gz MSWGJQMSDIUUIJ-UHFFFAOYSA-N 0 0 331.400 4.611 50 0 EJAARN COC(=O)c1ccc(CSc2cc(C)c3cc(C)cc(C)c3n2)o1 ZINC000006330363 564085164 /nfs/dbraw/zinc/08/51/64/564085164.db2.gz WHTNXYZDYOFMLE-UHFFFAOYSA-N 0 0 341.432 4.832 50 0 EJAARN O=C(/C=C/c1ccc(F)cc1)Nc1nc(-c2cccs2)cs1 ZINC000006334913 564085193 /nfs/dbraw/zinc/08/51/93/564085193.db2.gz KZENOBOOWUNUQO-VMPITWQZSA-N 0 0 330.409 4.663 50 0 EJAARN Cc1sc(NC(=O)CCc2ccccc2)nc1-c1ccc(F)cc1 ZINC000006375790 564085338 /nfs/dbraw/zinc/08/53/38/564085338.db2.gz ZAZBOZBFUMXDPH-UHFFFAOYSA-N 0 0 340.423 4.829 50 0 EJAARN CCCCc1ccc(N2C(=S)N=NC2CCc2ccccc2)cc1 ZINC000006390637 564085463 /nfs/dbraw/zinc/08/54/63/564085463.db2.gz KTVMPKTZLJQJNR-UHFFFAOYSA-N 0 0 337.492 4.684 50 0 EJAARN CCCc1nc2cc(CCC(=O)Nc3cccc(CC)c3)ccc2[nH]1 ZINC000075465666 564085928 /nfs/dbraw/zinc/08/59/28/564085928.db2.gz RUDBRCMUOYFCET-UHFFFAOYSA-N 0 0 335.451 4.649 50 0 EJAARN CCCc1nc2cc(CCC(=O)Nc3cc(C)cc(C)c3)ccc2[nH]1 ZINC000075465659 564085948 /nfs/dbraw/zinc/08/59/48/564085948.db2.gz BKRWEGXBIWDBRK-UHFFFAOYSA-N 0 0 335.451 4.704 50 0 EJAARN CCCc1nc2cc(CCC(=O)Nc3ccc(Cl)cc3)ccc2[nH]1 ZINC000075465608 564085957 /nfs/dbraw/zinc/08/59/57/564085957.db2.gz GXDXSPCGFYFITF-UHFFFAOYSA-N 0 0 341.842 4.740 50 0 EJAARN CCCc1nc2cc(CCC(=O)Nc3ccc(C)c(F)c3)ccc2[nH]1 ZINC000075465668 564086014 /nfs/dbraw/zinc/08/60/14/564086014.db2.gz FQPHJDKJCURENX-UHFFFAOYSA-N 0 0 339.414 4.534 50 0 EJAARN CCOc1cc2c(cc1NC(=O)C[C@H](C)c1ccccc1)O[C@H](C)C2 ZINC000013002458 564086342 /nfs/dbraw/zinc/08/63/42/564086342.db2.gz OLZUBEUCGXMDNV-LSDHHAIUSA-N 0 0 339.435 4.541 50 0 EJAARN CC(=O)c1ccc(C(=O)N(C)[C@H](C)c2cc3ccccc3o2)s1 ZINC000013011416 564086741 /nfs/dbraw/zinc/08/67/41/564086741.db2.gz NNDFUVPZGVLJNW-LLVKDONJSA-N 0 0 327.405 4.530 50 0 EJAARN CCCc1noc([C@@H](C)Sc2nc(C3CC3)nc3ccccc32)n1 ZINC000013013601 564086841 /nfs/dbraw/zinc/08/68/41/564086841.db2.gz XBEUEFUSIKPDFH-LLVKDONJSA-N 0 0 340.452 4.696 50 0 EJAARN CCCCOC(=O)Oc1ccc2c(c1)occ(-c1ccccc1)c2=O ZINC000001778850 564087515 /nfs/dbraw/zinc/08/75/15/564087515.db2.gz NPXUAQBZWGJVNB-UHFFFAOYSA-N 0 0 338.359 4.776 50 0 biogenic EJAARN COc1ccc(-c2nc(NC(=O)C3CCCCC3)sc2C)cc1 ZINC000006455994 564087859 /nfs/dbraw/zinc/08/78/59/564087859.db2.gz DJYBFRMZEXCFAS-UHFFFAOYSA-N 0 0 330.453 4.646 50 0 EJAARN C[C@H](C(=O)Nc1ccccc1Cl)N1CCC[C@H]1c1ccsc1 ZINC000239591368 564088195 /nfs/dbraw/zinc/08/81/95/564088195.db2.gz BBCTWGHZQXJGKP-WBMJQRKESA-N 0 0 334.872 4.566 50 0 EJAARN COc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2C[C@H]2c2ccco2)cc1 ZINC000242047984 564088449 /nfs/dbraw/zinc/08/84/49/564088449.db2.gz VRTWGQRWALVIPP-QYZOEREBSA-N 0 0 339.435 4.536 50 0 EJAARN C[C@@H]1CCC[C@H](N2C(=O)c3ccccc3[C@@H]2NCc2ccccc2)[C@H]1C ZINC000245253899 564088649 /nfs/dbraw/zinc/08/86/49/564088649.db2.gz QUHYUADJNNQICY-XKPGHWPRSA-N 0 0 348.490 4.756 50 0 EJAARN CCCCCCc1c(C)c2ccc(O[C@H](C)C(C)=O)cc2oc1=O ZINC000001902767 564089248 /nfs/dbraw/zinc/08/92/48/564089248.db2.gz DRXWYMNJMRKMQY-OAHLLOKOSA-N 0 0 330.424 4.581 50 0 biogenic EJAARN Cc1[nH]nc(NC(=O)CCc2ccccc2)c1-c1cccc(Cl)c1 ZINC000075559071 564089532 /nfs/dbraw/zinc/08/95/32/564089532.db2.gz NJTDOMKQBMBLJY-UHFFFAOYSA-N 0 0 339.826 4.610 50 0 EJAARN Cc1ccc2sc(NC(=O)c3ccc(OC(C)C)cc3)nc2c1C ZINC000006478557 564089955 /nfs/dbraw/zinc/08/99/55/564089955.db2.gz IJEMFEFGUPKVHV-UHFFFAOYSA-N 0 0 340.448 4.953 50 0 EJAARN COc1ccc(-c2cc(C(=O)OCC(C)C)c3ccccc3n2)cc1 ZINC000000315410 564090493 /nfs/dbraw/zinc/09/04/93/564090493.db2.gz QNUYJJUNNBCXDW-UHFFFAOYSA-N 0 0 335.403 4.723 50 0 biogenic EJAARN Cc1ccc(C)c(-c2csc(NC(=O)c3cccc(F)c3)n2)c1 ZINC000006507460 564091140 /nfs/dbraw/zinc/09/11/40/564091140.db2.gz DPRNEXKROBZEOA-UHFFFAOYSA-N 0 0 326.396 4.818 50 0 EJAARN CC(=O)Nc1ccc(SCC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000006514743 564091342 /nfs/dbraw/zinc/09/13/42/564091342.db2.gz BCALOMZHKQUHSQ-UHFFFAOYSA-N 0 0 343.492 4.523 50 0 EJAARN CN(Cc1ccc(F)cc1)C(=O)C(c1ccccc1)c1ccccc1 ZINC000006510672 564091364 /nfs/dbraw/zinc/09/13/64/564091364.db2.gz YPFHKFJGYKXTIY-UHFFFAOYSA-N 0 0 333.406 4.616 50 0 EJAARN Cc1c(Cl)ccc2c(C(=O)NC3CC3)cc(-c3ccccc3)nc12 ZINC000006527098 564091450 /nfs/dbraw/zinc/09/14/50/564091450.db2.gz VUWFXXNAICUYGT-UHFFFAOYSA-N 0 0 336.822 4.756 50 0 EJAARN Cc1ccc(Nc2c(C(=O)N3CCCC3)cnc3ccc(F)cc32)cc1 ZINC000064471787 564091473 /nfs/dbraw/zinc/09/14/73/564091473.db2.gz BWUNHOUQDUKPHG-UHFFFAOYSA-N 0 0 349.409 4.662 50 0 EJAARN c1sc2ncnc(SC[C@H]3CCCO3)c2c1-c1ccccc1 ZINC000006543228 564091869 /nfs/dbraw/zinc/09/18/69/564091869.db2.gz KLVDSDNOCVIGEJ-CYBMUJFWSA-N 0 0 328.462 4.629 50 0 EJAARN COc1ccc(NC(=O)c2oc3c(cccc3Cl)c2C)c(OC)c1 ZINC000006561744 564092146 /nfs/dbraw/zinc/09/21/46/564092146.db2.gz VEUXOXVAHPNHRZ-UHFFFAOYSA-N 0 0 345.782 4.664 50 0 EJAARN Clc1ccc2c(c1)nccc2Sc1nncn1-c1ccccc1 ZINC000006585177 564092345 /nfs/dbraw/zinc/09/23/45/564092345.db2.gz RWXPIEXYAKGBRG-UHFFFAOYSA-N 0 0 338.823 4.620 50 0 EJAARN C[C@@H](SC1=Nc2ccccc2CS1)C(=O)N(C)c1ccccc1 ZINC000006588224 564092379 /nfs/dbraw/zinc/09/23/79/564092379.db2.gz VVTXXAGVBAJBHW-CYBMUJFWSA-N 0 0 342.489 4.706 50 0 EJAARN Cc1ccc(NC(=O)Nc2c(-c3ccco3)nc3ccccn32)cc1 ZINC000035959460 564092442 /nfs/dbraw/zinc/09/24/42/564092442.db2.gz WTFZDAIMKWEPMZ-UHFFFAOYSA-N 0 0 332.363 4.547 50 0 EJAARN CN(Cc1ccccc1F)C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000006602342 564092698 /nfs/dbraw/zinc/09/26/98/564092698.db2.gz XPJDLESLINUTQE-UHFFFAOYSA-N 0 0 335.378 4.890 50 0 EJAARN Cc1ccc(N2C(=O)N(Cc3cccc4ccccc43)C(=O)[C@@H]2C)cc1 ZINC000006602568 564092704 /nfs/dbraw/zinc/09/27/04/564092704.db2.gz NOAVNCNWVWLXRS-INIZCTEOSA-N 0 0 344.414 4.506 50 0 EJAARN COc1cc2ccccc2cc1[C@@](O)(c1ccccc1)c1ccncc1 ZINC000004759952 564093154 /nfs/dbraw/zinc/09/31/54/564093154.db2.gz GZPDPLBUKJNHQJ-HSZRJFAPSA-N 0 0 341.410 4.528 50 0 EJAARN CCc1cccc(C)c1NC(=O)CSc1ccc2ccccc2n1 ZINC000005626994 564093289 /nfs/dbraw/zinc/09/32/89/564093289.db2.gz QTKXCYXENVWKTL-UHFFFAOYSA-N 0 0 336.460 4.836 50 0 EJAARN COCC1(N(C)C(=O)c2cccc(-c3cccc(Cl)c3C)c2)CC1 ZINC000426661419 564094290 /nfs/dbraw/zinc/09/42/90/564094290.db2.gz ZAPXXECAXKCSSB-UHFFFAOYSA-N 0 0 343.854 4.566 50 0 EJAARN O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccccc1OC(F)F ZINC000006625810 564094654 /nfs/dbraw/zinc/09/46/54/564094654.db2.gz MABFYJLZKIIXQL-UHFFFAOYSA-N 0 0 346.160 4.776 50 0 EJAARN CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccccc1F ZINC000006637452 564094741 /nfs/dbraw/zinc/09/47/41/564094741.db2.gz ADGWYZAXVIOGRE-HZPDHXFCSA-N 0 0 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564102752 /nfs/dbraw/zinc/10/27/52/564102752.db2.gz YAOWNAPUOFMMCL-UHFFFAOYSA-N 0 0 328.553 4.703 50 0 EJAARN Cc1ccc(C(=O)Nc2ccsc2-c2nnc(C3CC3)o2)c(C)c1 ZINC000065218577 564102916 /nfs/dbraw/zinc/10/29/16/564102916.db2.gz WMKMVYWTUWGOLR-UHFFFAOYSA-N 0 0 339.420 4.545 50 0 EJAARN CC(C)c1cc(C(=O)NCc2ccc(Cl)cc2)c2ccccc2n1 ZINC000007003858 564102944 /nfs/dbraw/zinc/10/29/44/564102944.db2.gz HZDJMSRNGRPFFY-UHFFFAOYSA-N 0 0 338.838 4.942 50 0 EJAARN CCCOc1ccc(OCCSc2ccc(NC(C)=O)cc2)cc1 ZINC000007028274 564103220 /nfs/dbraw/zinc/10/32/20/564103220.db2.gz XYJWGGZJLZMDIG-UHFFFAOYSA-N 0 0 345.464 4.605 50 0 EJAARN Cc1ccc2c(ncc(-c3nc(C4CC4)no3)c2Nc2ccccc2)n1 ZINC000065250650 564103490 /nfs/dbraw/zinc/10/34/90/564103490.db2.gz QGVOMTSHCZTDEC-UHFFFAOYSA-N 0 0 343.390 4.609 50 0 EJAARN O=C(Cc1cccs1)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000036625812 564103767 /nfs/dbraw/zinc/10/37/67/564103767.db2.gz ACFLIOLESQQZNW-OAQYLSRUSA-N 0 0 347.439 4.943 50 0 EJAARN CC[C@H](C)c1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1 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C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(Cl)cc1F ZINC000007117285 564105097 /nfs/dbraw/zinc/10/50/97/564105097.db2.gz MFIDFZYTIZWRPS-JTQLQIEISA-N 0 0 348.830 4.922 50 0 EJAARN Cc1occc1-c1nnc(SCC(=O)c2ccc(C(C)C)cc2)o1 ZINC000007196151 564105698 /nfs/dbraw/zinc/10/56/98/564105698.db2.gz JKCSKKDGXGJGOU-UHFFFAOYSA-N 0 0 342.420 4.736 50 0 EJAARN O=C(NC(c1ccccc1)c1ccccc1)N1CCC(=C2CC2)CC1 ZINC000238931144 564105721 /nfs/dbraw/zinc/10/57/21/564105721.db2.gz VCFYVGQVWLFNDA-UHFFFAOYSA-N 0 0 332.447 4.672 50 0 EJAARN Cc1ccc(-c2nc(C)c(C(=O)NC(C)(C)c3ccccc3)s2)o1 ZINC000065402630 564105752 /nfs/dbraw/zinc/10/57/52/564105752.db2.gz QXAPJUUWSZDLGD-UHFFFAOYSA-N 0 0 340.448 4.685 50 0 EJAARN Cc1ccc(Oc2ccc(N[C@@H](C)C(=O)NC3CCCC3)cc2)cc1 ZINC000007243364 564105949 /nfs/dbraw/zinc/10/59/49/564105949.db2.gz UQCLNZYFGGWIOG-INIZCTEOSA-N 0 0 338.451 4.647 50 0 EJAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1c(C)noc1C(C)C ZINC000007278107 564106183 /nfs/dbraw/zinc/10/61/83/564106183.db2.gz HPJUWOSQWNGGMT-UHFFFAOYSA-N 0 0 330.428 4.665 50 0 EJAARN Cc1nc(C(=O)N[C@H](c2cc3ccccc3o2)c2ccccc2)cs1 ZINC000065474423 564106206 /nfs/dbraw/zinc/10/62/06/564106206.db2.gz PRHMCDKFYKMDBP-IBGZPJMESA-N 0 0 348.427 4.717 50 0 EJAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccco2)cc1 ZINC000239296799 564106496 /nfs/dbraw/zinc/10/64/96/564106496.db2.gz DJGIUXRWXUKZFI-RXVVDRJESA-N 0 0 330.387 4.830 50 0 EJAARN CC(=O)c1ccc(OCc2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000007338195 564106948 /nfs/dbraw/zinc/10/69/48/564106948.db2.gz SCCJCFMSBLKLMI-UHFFFAOYSA-N 0 0 345.398 4.721 50 0 EJAARN C[C@@H](Nc1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000007382735 564107598 /nfs/dbraw/zinc/10/75/98/564107598.db2.gz SWPWIGOIYHHXQA-SECBINFHSA-N 0 0 327.186 4.572 50 0 EJAARN Cc1ccccc1NC1CCN(C(=O)C2(c3ccccc3)CCC2)CC1 ZINC000065577016 564107708 /nfs/dbraw/zinc/10/77/08/564107708.db2.gz VXWVQWOFZKNMKE-UHFFFAOYSA-N 0 0 348.490 4.520 50 0 EJAARN CCOC1CCN(C(=O)Nc2cccc(Oc3ccccc3)c2)CC1 ZINC000065585076 564107796 /nfs/dbraw/zinc/10/77/96/564107796.db2.gz DXCVLAYCLZHGEL-UHFFFAOYSA-N 0 0 340.423 4.512 50 0 EJAARN O=C(CSc1nc2ccccc2s1)Nc1cccc2[nH]ccc21 ZINC000065610940 564108325 /nfs/dbraw/zinc/10/83/25/564108325.db2.gz QAJZJOYNBRSNHI-UHFFFAOYSA-N 0 0 339.445 4.508 50 0 EJAARN Cc1ccccc1N1C[C@H](c2nc3ccccc3n2CC(C)C)CC1=O ZINC000007425210 564108361 /nfs/dbraw/zinc/10/83/61/564108361.db2.gz CUOQVMLOOKWRDM-QGZVFWFLSA-N 0 0 347.462 4.521 50 0 EJAARN Cc1ccc2c(CC(=O)OCc3nc4ccccc4s3)coc2c1 ZINC000007430172 564108407 /nfs/dbraw/zinc/10/84/07/564108407.db2.gz FYUFFQAUNRXGBQ-UHFFFAOYSA-N 0 0 337.400 4.637 50 0 EJAARN Cc1nc(-c2ccc(NC(=O)c3cc4c(s3)CCC4)cc2)cs1 ZINC000007437935 564108489 /nfs/dbraw/zinc/10/84/89/564108489.db2.gz YSDDAWRTRCHWLZ-UHFFFAOYSA-N 0 0 340.473 4.921 50 0 EJAARN CC(=O)c1cc(Br)c(C)c(C)c1OCc1ccccc1 ZINC000526059784 564108719 /nfs/dbraw/zinc/10/87/19/564108719.db2.gz CXHAKTFTVGWQPJ-UHFFFAOYSA-N 0 0 333.225 4.848 50 0 EJAARN C[C@H](Sc1ccc(O)cc1)c1nnc(-c2ccccc2F)s1 ZINC000170600470 564109326 /nfs/dbraw/zinc/10/93/26/564109326.db2.gz MRTCJRHIZKFTSJ-JTQLQIEISA-N 0 0 332.425 4.903 50 0 EJAARN Cc1ccc(-c2nnc([C@@H](C)OCc3ccc(Cl)cc3)o2)cc1 ZINC000170604732 564109472 /nfs/dbraw/zinc/10/94/72/564109472.db2.gz SWSBIBQXGLGEKW-CYBMUJFWSA-N 0 0 328.799 4.976 50 0 EJAARN CCCc1nc2c3cc4c(nc3sc2c(Cl)n1)CC(C)(C)OC4 ZINC000007518884 564109563 /nfs/dbraw/zinc/10/95/63/564109563.db2.gz MEYRWILIAZNELX-UHFFFAOYSA-N 0 0 347.871 4.697 50 0 EJAARN O=C(c1ccc(NCc2ccc(F)cc2F)cc1)N1CCCCCC1 ZINC000170615606 564110005 /nfs/dbraw/zinc/11/00/05/564110005.db2.gz QACUSDSLYWJPOH-UHFFFAOYSA-N 0 0 344.405 4.593 50 0 EJAARN Cc1cc(N(C)C)ccc1NC(=O)C[C@H](C)c1c[nH]c2ccccc21 ZINC000170615765 564110019 /nfs/dbraw/zinc/11/00/19/564110019.db2.gz JPCXNWMOTLZFQK-AWEZNQCLSA-N 0 0 335.451 4.675 50 0 EJAARN Cc1cccc(C(=O)N2N=C(c3ccco3)C[C@H]2c2ccccc2)c1 ZINC000170615249 564110029 /nfs/dbraw/zinc/11/00/29/564110029.db2.gz KGDSMYCZTAICEY-IBGZPJMESA-N 0 0 330.387 4.580 50 0 EJAARN Cc1ccccc1C(=O)N1N=C(c2ccco2)C[C@@H]1c1ccsc1 ZINC000170619391 564110186 /nfs/dbraw/zinc/11/01/86/564110186.db2.gz BPKUTERCGLAPGZ-QGZVFWFLSA-N 0 0 336.416 4.641 50 0 EJAARN C[C@@H]1C[C@H](CC(=O)N2CCC(OC3CCCC3)CC2)CC(C)(C)C1 ZINC000170620587 564110265 /nfs/dbraw/zinc/11/02/65/564110265.db2.gz KXRCRNJZKXINSK-IAGOWNOFSA-N 0 0 335.532 4.789 50 0 EJAARN CC[C@@H](O)c1nc2ccccc2n1CCCCOc1cccc(C)c1 ZINC000007548392 564110335 /nfs/dbraw/zinc/11/03/35/564110335.db2.gz GLUOFHVIOCUOLV-HXUWFJFHSA-N 0 0 338.451 4.647 50 0 EJAARN Cc1nc2ccccc2nc1N[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000170622197 564110350 /nfs/dbraw/zinc/11/03/50/564110350.db2.gz BOWARPPTMTYTHX-GFCCVEGCSA-N 0 0 326.469 4.865 50 0 EJAARN Cc1c2cccc(C)c2oc1C(=O)N(Cc1cccc(O)c1)CC1CC1 ZINC000170627104 564110472 /nfs/dbraw/zinc/11/04/72/564110472.db2.gz RCVYNOMDQNQMJD-UHFFFAOYSA-N 0 0 349.430 4.808 50 0 EJAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCc2ccccc21 ZINC000013320482 564111445 /nfs/dbraw/zinc/11/14/45/564111445.db2.gz VORYLWUKVGASLJ-UHFFFAOYSA-N 0 0 340.732 4.953 50 0 EJAARN COc1ccc(C(C)(C)C)cc1NC(=S)Nc1ccccc1F ZINC000013736926 564111921 /nfs/dbraw/zinc/11/19/21/564111921.db2.gz AANGNNOMGUGAIM-UHFFFAOYSA-N 0 0 332.444 4.941 50 0 EJAARN Cc1cccc(NC(=S)Nc2c(F)c(F)cc(F)c2F)c1C ZINC000013736910 564111927 /nfs/dbraw/zinc/11/19/27/564111927.db2.gz GNDUCENQWHLINJ-UHFFFAOYSA-N 0 0 328.334 4.669 50 0 EJAARN C[C@@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)s1 ZINC000013745072 564111943 /nfs/dbraw/zinc/11/19/43/564111943.db2.gz YSENUDCWYVFSHE-LKBWSCCASA-N 0 0 338.904 4.731 50 0 EJAARN O=C(Nc1cccc(F)c1)N1CCC(Oc2ccccc2Cl)CC1 ZINC000152501984 564112237 /nfs/dbraw/zinc/11/22/37/564112237.db2.gz VTZSMZIYBHSWLP-UHFFFAOYSA-N 0 0 348.805 4.554 50 0 EJAARN CC(=O)Nc1ccc(OC(=O)c2oc3c(cccc3Cl)c2C)cc1 ZINC000014627846 564112589 /nfs/dbraw/zinc/11/25/89/564112589.db2.gz HONPKPPIMGDVIZ-UHFFFAOYSA-N 0 0 343.766 4.572 50 0 EJAARN CC(=O)Nc1c(C)cccc1-c1nc2ccc(F)cc2n1C(C)C ZINC000089688796 564113066 /nfs/dbraw/zinc/11/30/66/564113066.db2.gz OIEAPJHDGFETNU-UHFFFAOYSA-N 0 0 325.387 4.690 50 0 EJAARN Oc1ccc(-c2csc(-c3ccc(C(F)(F)F)cc3)n2)c(O)c1 ZINC000089793852 564113846 /nfs/dbraw/zinc/11/38/46/564113846.db2.gz SINVFWYIIAHANM-UHFFFAOYSA-N 0 0 337.322 4.907 50 0 EJAARN O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NC1CCCCC1 ZINC000016850353 564113926 /nfs/dbraw/zinc/11/39/26/564113926.db2.gz WKPJZNDIHKSAGY-UHFFFAOYSA-N 0 0 349.887 4.532 50 0 EJAARN CC[C@](C)(NC(=O)Nc1cccc(COC(C)C)c1)c1nccs1 ZINC000076018957 564114521 /nfs/dbraw/zinc/11/45/21/564114521.db2.gz JGWHQKWBLYKIBP-SFHVURJKSA-N 0 0 347.484 4.515 50 0 EJAARN CC(C)N(Cc1ccco1)C(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000089869650 564114609 /nfs/dbraw/zinc/11/46/09/564114609.db2.gz JBVRIRUGHQLTJB-UHFFFAOYSA-N 0 0 344.798 4.639 50 0 EJAARN C[C@@H]1SC2(CCCCC2)N(c2ccc(Br)cc2)C1=O ZINC000001063934 564116833 /nfs/dbraw/zinc/11/68/33/564116833.db2.gz PFXLETOLBSXYAK-NSHDSACASA-N 0 0 340.286 4.578 50 0 EJAARN Cc1cc(C)c(C)c(OCC(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000002825072 564117037 /nfs/dbraw/zinc/11/70/37/564117037.db2.gz GIBQVTYONIZLGN-UHFFFAOYSA-N 0 0 338.234 4.936 50 0 EJAARN CCc1cccc(N2COc3c(C)c4oc(=O)c(C)c(C)c4cc3C2)c1 ZINC000002123381 564118418 /nfs/dbraw/zinc/11/84/18/564118418.db2.gz OYPBTNSLJMHNJN-UHFFFAOYSA-N 0 0 349.430 4.637 50 0 biogenic EJAARN Cc1cccc(N2COc3c(C)c4oc(=O)c(C)c(C)c4cc3C2)c1C ZINC000002124986 564118477 /nfs/dbraw/zinc/11/84/77/564118477.db2.gz CAQAECJMLUXHPC-UHFFFAOYSA-N 0 0 349.430 4.692 50 0 biogenic EJAARN Cc1cccc(NC(=O)OCCOc2ccc(Cl)cc2Cl)c1 ZINC000002171931 564119038 /nfs/dbraw/zinc/11/90/38/564119038.db2.gz XBJTXRXYHYGZIO-UHFFFAOYSA-N 0 0 340.206 4.929 50 0 EJAARN CCCc1cc(=O)oc2c1ccc1c2CN(c2ccc(C)c(C)c2)CO1 ZINC000002158430 564119577 /nfs/dbraw/zinc/11/95/77/564119577.db2.gz YVKDZGJEGBEENF-UHFFFAOYSA-N 0 0 349.430 4.719 50 0 biogenic EJAARN Cc1nc(CC2CC2)oc1C(=O)Nc1ccc(C)c(C(F)(F)F)c1 ZINC000252503332 564119882 /nfs/dbraw/zinc/11/98/82/564119882.db2.gz VBHJBRLYMWLXLE-UHFFFAOYSA-N 0 0 338.329 4.515 50 0 EJAARN CC(C)c1nc([C@H](C)NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)cs1 ZINC000252510653 564120039 /nfs/dbraw/zinc/12/00/39/564120039.db2.gz BBUQAZZAZYJWQI-TUKIKUTGSA-N 0 0 348.899 4.901 50 0 EJAARN Cc1ccc(C(=O)N(C2=N[C@@H](C)CS2)c2ccc(Cl)cc2)cc1 ZINC000007643405 564121480 /nfs/dbraw/zinc/12/14/80/564121480.db2.gz QMBIQIKJEZTOMA-ZDUSSCGKSA-N 0 0 344.867 4.787 50 0 EJAARN Cc1cccc(N(Cc2ccccc2)C(=O)CSc2ccccn2)c1 ZINC000007734730 564122362 /nfs/dbraw/zinc/12/23/62/564122362.db2.gz QZMGPDQJIMEJQO-UHFFFAOYSA-N 0 0 348.471 4.716 50 0 EJAARN O=C(N[C@H](c1cccs1)c1ccc(F)cc1)c1cc(F)cc(F)c1 ZINC000007737493 564122447 /nfs/dbraw/zinc/12/24/47/564122447.db2.gz JZEUHGBPDKYQGW-KRWDZBQOSA-N 0 0 347.361 4.685 50 0 EJAARN Cc1nn2c(nc(NC3CCCCCC3)c3ccccc32)c1Cl ZINC000007736629 564122473 /nfs/dbraw/zinc/12/24/73/564122473.db2.gz ADEKSVAJLJLISR-UHFFFAOYSA-N 0 0 328.847 4.979 50 0 EJAARN CCSc1nnc(-c2ccc(OC)cc2)n1[C@H]1CCCC[C@@H]1C ZINC000007780507 564123153 /nfs/dbraw/zinc/12/31/53/564123153.db2.gz FENCPVBIEMKQNK-BBRMVZONSA-N 0 0 331.485 4.817 50 0 EJAARN Fc1ccc(F)c(-c2csc(Nc3ccc4c(c3)OCCO4)n2)c1 ZINC000007785867 564123303 /nfs/dbraw/zinc/12/33/03/564123303.db2.gz UAKNWYBAEPTZEE-UHFFFAOYSA-N 0 0 346.358 4.603 50 0 EJAARN CC[C@@H](C)[C@@H](C(=O)Nc1cc(C(=O)OC)ccc1C)c1ccccc1 ZINC000007801238 564123578 /nfs/dbraw/zinc/12/35/78/564123578.db2.gz XXUXHTOWRUTVMA-AUUYWEPGSA-N 0 0 339.435 4.550 50 0 EJAARN O=C(CCCSc1nc2ccccc2s1)Oc1ccccc1 ZINC000007814371 564123994 /nfs/dbraw/zinc/12/39/94/564123994.db2.gz GYFRHQBRPSEQEL-UHFFFAOYSA-N 0 0 329.446 4.774 50 0 EJAARN C[C@H]1c2ccsc2CCN1C(=O)c1csc(-c2ccsc2)n1 ZINC000007830767 564124083 /nfs/dbraw/zinc/12/40/83/564124083.db2.gz ZVTNRMQEGKRTTJ-JTQLQIEISA-N 0 0 346.502 4.693 50 0 EJAARN Cc1cccc(C(C)C)c1NC(=O)CN1CCc2sccc2[C@@H]1C ZINC000007878421 564124358 /nfs/dbraw/zinc/12/43/58/564124358.db2.gz DTTWXKSSHLBTKN-HNNXBMFYSA-N 0 0 342.508 4.738 50 0 EJAARN COc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1c1ccc(F)cc1 ZINC000007884752 564124379 /nfs/dbraw/zinc/12/43/79/564124379.db2.gz GSUBCWHDZMWPJA-HXUWFJFHSA-N 0 0 348.377 4.605 50 0 EJAARN c1sc(=Nc2ccccn2)n(-c2ccccc2)c1-c1ccccc1 ZINC000252666377 564124787 /nfs/dbraw/zinc/12/47/87/564124787.db2.gz BGNASZIXFGBEIC-UHFFFAOYSA-N 0 0 329.428 4.833 50 0 EJAARN Cc1cccc2sc(NC(=O)Cc3cccc4ccccc43)nc21 ZINC000001006356 564125004 /nfs/dbraw/zinc/12/50/04/564125004.db2.gz FZIYPYGGAPJADQ-UHFFFAOYSA-N 0 0 332.428 4.939 50 0 EJAARN C[C@@]12C[C@@H](NC(=O)N1c1ccc(Cl)cc1)c1cc(Cl)ccc1O2 ZINC000000422937 564125200 /nfs/dbraw/zinc/12/52/00/564125200.db2.gz PYUJBPVTJFZSPC-RHSMWYFYSA-N 0 0 349.217 4.763 50 0 EJAARN CC(C)OP(=O)(OC(C)C)[C@@H](O)c1ccccc1C(F)(F)F ZINC000002238317 564125262 /nfs/dbraw/zinc/12/52/62/564125262.db2.gz MWTKZEQBKNPZEB-CYBMUJFWSA-N 0 0 340.278 4.739 50 0 EJAARN Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1Cc1ccc(Cl)cc1 ZINC000019865258 564129049 /nfs/dbraw/zinc/12/90/49/564129049.db2.gz STIHHIYJZJQRKV-INIZCTEOSA-N 0 0 347.805 4.510 50 0 EJAARN CC(C)c1ccc(Nc2ncnc3c2ncn3-c2ccccc2)cc1 ZINC000019926060 564129118 /nfs/dbraw/zinc/12/91/18/564129118.db2.gz HGUHRYLIBBEGKP-UHFFFAOYSA-N 0 0 329.407 4.683 50 0 EJAARN CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000033674565 564129179 /nfs/dbraw/zinc/12/91/79/564129179.db2.gz CGMZETDGTMDEAD-VYHMOFMVSA-N 0 0 332.528 4.841 50 0 EJAARN CCCCn1c(C)c(C(=O)OCC)c2cc(O)c3ccccc3c21 ZINC000002282457 564130269 /nfs/dbraw/zinc/13/02/69/564130269.db2.gz HKLPYZIPIVCGHV-UHFFFAOYSA-N 0 0 325.408 4.785 50 0 EJAARN CCCO[C@H]1CCCN(C(=O)Nc2cccc(SC)c2C)CC1 ZINC000253418048 564130861 /nfs/dbraw/zinc/13/08/61/564130861.db2.gz XKJIFYHVJOKRJQ-HNNXBMFYSA-N 0 0 336.501 4.530 50 0 EJAARN O=C(Nc1ncccc1-c1ccccc1)c1cccc([C@H]2CCOC2)c1 ZINC000253425775 564131108 /nfs/dbraw/zinc/13/11/08/564131108.db2.gz OTRYIDUXPQVMPY-IBGZPJMESA-N 0 0 344.414 4.505 50 0 EJAARN CCOC(=O)c1cc(C(C)(C)C)oc1CP(=O)(OCC)OCC ZINC000002298667 564131768 /nfs/dbraw/zinc/13/17/68/564131768.db2.gz MCRBYJDBCNGJBN-UHFFFAOYSA-N 0 0 346.360 4.520 50 0 EJAARN C[C@@H](NC(=O)C1(c2cccnc2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000253431213 564131804 /nfs/dbraw/zinc/13/18/04/564131804.db2.gz QOGDCSKXGJBIRQ-QGZVFWFLSA-N 0 0 342.442 4.658 50 0 EJAARN Cc1cccc([C@H]2CCCN2C(=O)Nc2cn(C)nc2C(C)C)c1C ZINC000253432699 564131881 /nfs/dbraw/zinc/13/18/81/564131881.db2.gz MWSMFNCVCAUJSX-GOSISDBHSA-N 0 0 340.471 4.529 50 0 EJAARN CCCCc1cc(=O)oc2cc(OC(=O)c3ccco3)c(Cl)cc12 ZINC000002364051 564133752 /nfs/dbraw/zinc/13/37/52/564133752.db2.gz YDCXYMSULRFTAZ-UHFFFAOYSA-N 0 0 346.766 4.601 50 0 EJAARN CC(=O)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000006790678 564133772 /nfs/dbraw/zinc/13/37/72/564133772.db2.gz FVLRAELKDRLXKX-UHFFFAOYSA-N 0 0 329.399 4.660 50 0 EJAARN C=C(C)[C@H]1CC=C(C)C(=NNC(=O)CCCNc2cccc(C)c2)C1 ZINC000013139379 564133911 /nfs/dbraw/zinc/13/39/11/564133911.db2.gz QVDKZNKZDBKUOQ-SFHVURJKSA-N 0 0 339.483 4.592 50 0 EJAARN COc1cccc(/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)c1 ZINC000002412995 564134801 /nfs/dbraw/zinc/13/48/01/564134801.db2.gz VKJDLOHKBOGKLK-SDNYCIMKSA-N 0 0 348.446 4.563 50 0 EJAARN Cc1oc2nc(SC(C)C)nc(NC(=O)c3ccccc3)c2c1C ZINC000012769630 564135545 /nfs/dbraw/zinc/13/55/45/564135545.db2.gz UHGFNVBKYUEROK-UHFFFAOYSA-N 0 0 341.436 4.592 50 0 EJAARN CCc1ccc(N2COc3ccc4c(C)c(CC)c(=O)oc4c3C2)cc1 ZINC000002450805 564135648 /nfs/dbraw/zinc/13/56/48/564135648.db2.gz BEZDNLRLMNQIFU-UHFFFAOYSA-N 0 0 349.430 4.583 50 0 EJAARN CC[C@H](C)[C@H](N)c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 ZINC000007951981 564136116 /nfs/dbraw/zinc/13/61/16/564136116.db2.gz JIADJVQUGRKWHR-UFBFGSQYSA-N 0 0 346.283 4.715 50 0 EJAARN Cc1ccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)cc1F ZINC000007954139 564136371 /nfs/dbraw/zinc/13/63/71/564136371.db2.gz ZYAAJKWTRYXDMA-UHFFFAOYSA-N 0 0 335.378 4.889 50 0 EJAARN Cc1cc(Cl)c2ccccc2c1NC(=O)N1CCC[C@](C)(O)CC1 ZINC000328594259 564136800 /nfs/dbraw/zinc/13/68/00/564136800.db2.gz KLPDTHHREZKTHI-IBGZPJMESA-N 0 0 346.858 4.570 50 0 EJAARN O=C(Nc1cccc(CSC2CCOCC2)c1)N1CCCCCC1 ZINC000078814360 564137236 /nfs/dbraw/zinc/13/72/36/564137236.db2.gz IKXPZIRDPZBCDG-UHFFFAOYSA-N 0 0 348.512 4.507 50 0 EJAARN O=C(Cc1ccccc1Cl)N[C@@H](c1ccsc1)c1cccs1 ZINC000390827222 564138526 /nfs/dbraw/zinc/13/85/26/564138526.db2.gz VCCPSYQHPPLROA-KRWDZBQOSA-N 0 0 347.892 4.911 50 0 EJAARN O=C(CCSc1ccccc1)NCCCc1cc2ccccc2o1 ZINC000390830934 564138656 /nfs/dbraw/zinc/13/86/56/564138656.db2.gz OLCQIMCELONMPA-UHFFFAOYSA-N 0 0 339.460 4.664 50 0 EJAARN O=C(Nc1cccc(C(F)F)c1Cl)N1CCc2sccc2C1 ZINC000390833253 564138771 /nfs/dbraw/zinc/13/87/71/564138771.db2.gz FHFRSMBCHNGAMT-UHFFFAOYSA-N 0 0 342.798 4.929 50 0 EJAARN C[C@@H](Nc1ccc2nc(C(F)F)sc2c1)c1nc(C2CC2)no1 ZINC000390834537 564138959 /nfs/dbraw/zinc/13/89/59/564138959.db2.gz BCUSUDHCDYXASL-SSDOTTSWSA-N 0 0 336.367 4.667 50 0 EJAARN Cc1cc([C@H](C)NCc2csc(-c3ccccn3)n2)c(C)s1 ZINC000124999952 564139196 /nfs/dbraw/zinc/13/91/96/564139196.db2.gz HKWDNUZXCFRMJP-LBPRGKRZSA-N 0 0 329.494 4.734 50 0 EJAARN C[C@H](N[C@H]1CCCOc2c3ccccc3ccc21)c1nc(C2CC2)no1 ZINC000095409403 564139642 /nfs/dbraw/zinc/13/96/42/564139642.db2.gz CXGLIZXCGFGMOC-UGSOOPFHSA-N 0 0 349.434 4.665 50 0 EJAARN CC(C)c1sc(Cl)nc1C(=O)Nc1ccc(F)c(F)c1F ZINC000095478880 564141517 /nfs/dbraw/zinc/14/15/17/564141517.db2.gz CTFZNFXHQVDTFP-UHFFFAOYSA-N 0 0 334.750 4.590 50 0 EJAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc(C)cc(Cl)c1 ZINC000125304391 564141763 /nfs/dbraw/zinc/14/17/63/564141763.db2.gz OYZKNLDFLNIFCB-UHFFFAOYSA-N 0 0 339.826 4.703 50 0 EJAARN Cc1cccc([C@@H](CC(=O)N2CCCc3ccccc32)n2cccc2)c1 ZINC000020999006 564141884 /nfs/dbraw/zinc/14/18/84/564141884.db2.gz CLFWMOFNOYHUEX-JOCHJYFZSA-N 0 0 344.458 4.755 50 0 EJAARN CCCCCc1ccc([C@H](CC)N[C@@H](C)c2nnc3n2CCC3)cc1 ZINC000095940744 564141986 /nfs/dbraw/zinc/14/19/86/564141986.db2.gz GNKRTYNTCIBSJZ-LPHOPBHVSA-N 0 0 340.515 4.759 50 0 EJAARN Cc1csc2nc(C)nc(NCc3coc(-c4cccs4)n3)c12 ZINC000095941838 564142063 /nfs/dbraw/zinc/14/20/63/564142063.db2.gz CWHMFPWUEXCKAC-UHFFFAOYSA-N 0 0 342.449 4.637 50 0 EJAARN Cc1ccccc1CNc1nnc(-c2cccc(C(F)(F)F)c2)o1 ZINC000095943650 564142156 /nfs/dbraw/zinc/14/21/56/564142156.db2.gz WFVRIGDKELZZGC-UHFFFAOYSA-N 0 0 333.313 4.676 50 0 EJAARN Cc1ccccc1C(=O)N1N=C(c2ccco2)C[C@@H]1c1ccccc1 ZINC000095946355 564142208 /nfs/dbraw/zinc/14/22/08/564142208.db2.gz SGBBPKXARVFQRW-LJQANCHMSA-N 0 0 330.387 4.580 50 0 EJAARN CC(C)(C)c1cn2nc(N[C@@H]3CCC[C@@H](C(F)(F)F)C3)sc2n1 ZINC000095947948 564142303 /nfs/dbraw/zinc/14/23/03/564142303.db2.gz PPRCQJVLJIJRLE-NXEZZACHSA-N 0 0 346.422 4.621 50 0 EJAARN c1ccc(Cc2nc(CN[C@@H](c3ccccc3)C3CCCC3)no2)cc1 ZINC000095957583 564142566 /nfs/dbraw/zinc/14/25/66/564142566.db2.gz UETFPEINFUYVSB-QFIPXVFZSA-N 0 0 347.462 4.682 50 0 EJAARN Cc1cnc(CN[C@@H](c2nc(C(C)(C)C)cs2)c2ccccc2)o1 ZINC000095966863 564142977 /nfs/dbraw/zinc/14/29/77/564142977.db2.gz LGAUJEFKQMFLQS-QGZVFWFLSA-N 0 0 341.480 4.616 50 0 EJAARN COC[C@](C)(NCc1csc(-c2ccsc2)n1)c1ccccc1 ZINC000095985807 564143927 /nfs/dbraw/zinc/14/39/27/564143927.db2.gz AVWBGKKSLINIIQ-SFHVURJKSA-N 0 0 344.505 4.523 50 0 EJAARN Cc1cccc(C(C)C)c1NS(=O)(=O)C[C@@H](C)c1ccccc1 ZINC000095995789 564144224 /nfs/dbraw/zinc/14/42/24/564144224.db2.gz XHQXJBJIOAATPH-MRXNPFEDSA-N 0 0 331.481 4.664 50 0 EJAARN c1csc(-c2ccccc2OCc2ccn(-c3ccccc3)n2)n1 ZINC000096011636 564144720 /nfs/dbraw/zinc/14/47/20/564144720.db2.gz UAGZUXPEVIWVQT-UHFFFAOYSA-N 0 0 333.416 4.575 50 0 EJAARN Cc1cccc([C@@H]2CC(c3ccco3)=NN2C(=O)c2ccccc2C)c1 ZINC000096012472 564144737 /nfs/dbraw/zinc/14/47/37/564144737.db2.gz PZKRFJDOJOVOHU-FQEVSTJZSA-N 0 0 344.414 4.888 50 0 EJAARN O=C(N[C@@H]1CCCc2c3cc(F)ccc3[nH]c21)c1ccc2cc[nH]c2c1 ZINC000096115853 564145442 /nfs/dbraw/zinc/14/54/42/564145442.db2.gz KDYUFMDRKVINLU-GOSISDBHSA-N 0 0 347.393 4.596 50 0 biogenic EJAARN O=C(CCc1ccccc1F)NCc1ccccc1-c1ccsc1 ZINC000096122911 564145630 /nfs/dbraw/zinc/14/56/30/564145630.db2.gz RSNAMDUOKGEENV-UHFFFAOYSA-N 0 0 339.435 4.803 50 0 EJAARN COc1ccccc1Nc1nc(-c2ccc3nsnc3c2)cs1 ZINC000096124472 564145690 /nfs/dbraw/zinc/14/56/90/564145690.db2.gz KFFWRBUHGSXDOC-UHFFFAOYSA-N 0 0 340.433 4.567 50 0 EJAARN C[C@H](SC/C=C\c1ccccc1)C(=O)Nc1cc(F)ccc1F ZINC000096126929 564145754 /nfs/dbraw/zinc/14/57/54/564145754.db2.gz YOOUXYKOEUIYNV-UJZCVKTISA-N 0 0 333.403 4.738 50 0 EJAARN C[C@H](NC(=O)/C=C\c1cccc(-c2ccccc2)c1)c1ccccn1 ZINC000096291449 564146452 /nfs/dbraw/zinc/14/64/52/564146452.db2.gz PPTLTJZCHTYPIP-NJWFCXLTSA-N 0 0 328.415 4.639 50 0 EJAARN CC(C)c1noc(-c2ccccc2NC(=O)c2ccccc2Cl)n1 ZINC000096346529 564146899 /nfs/dbraw/zinc/14/68/99/564146899.db2.gz WLSSCCBSGBJMOU-UHFFFAOYSA-N 0 0 341.798 4.766 50 0 EJAARN O=S(=O)(/C=C\c1ccccc1)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000096401274 564147082 /nfs/dbraw/zinc/14/70/82/564147082.db2.gz YXVHGKNNLWBECL-SEYXRHQNSA-N 0 0 347.439 4.670 50 0 EJAARN CCN(C(=O)Nc1cccc(COC(C)C)c1)[C@@H](C)c1cccnc1 ZINC000096406975 564147368 /nfs/dbraw/zinc/14/73/68/564147368.db2.gz SNWLCFSWAOSIOB-INIZCTEOSA-N 0 0 341.455 4.622 50 0 EJAARN CC[C@@H](c1ccncc1)N(C)C(=O)Nc1cccc(OC(F)F)c1C ZINC000096415884 564147730 /nfs/dbraw/zinc/14/77/30/564147730.db2.gz PPJWEGDXCCJFGP-HNNXBMFYSA-N 0 0 349.381 4.606 50 0 EJAARN CC(C)c1ccc(NC(=O)N2CCC[C@H]([C@H](C)O)C2)c(C(C)C)c1 ZINC000096483243 564148623 /nfs/dbraw/zinc/14/86/23/564148623.db2.gz MGVSNMHKUYDIAF-RDJZCZTQSA-N 0 0 332.488 4.558 50 0 EJAARN Cc1ccc(NC(=O)N2Cc3cccn3-c3ccccc32)cc1Cl ZINC000021883609 564148839 /nfs/dbraw/zinc/14/88/39/564148839.db2.gz LEIYGIIWRHEZOY-UHFFFAOYSA-N 0 0 337.810 4.991 50 0 EJAARN CCCc1ccc([C@@H](NCc2csc(NC(C)=O)n2)C(C)C)cc1 ZINC000096955888 564149060 /nfs/dbraw/zinc/14/90/60/564149060.db2.gz JUQXMNZSMHFGGY-SFHVURJKSA-N 0 0 345.512 4.541 50 0 EJAARN Cc1cccc(C(=O)N2N=C(c3ccco3)C[C@@H]2c2cccc(C)c2)c1 ZINC000097165201 564149474 /nfs/dbraw/zinc/14/94/74/564149474.db2.gz JENRKARROLJRBH-HXUWFJFHSA-N 0 0 344.414 4.888 50 0 EJAARN CCCC(=O)Nc1nnc(-c2ccc(-c3cccc(F)c3)cc2)s1 ZINC000027914038 564149659 /nfs/dbraw/zinc/14/96/59/564149659.db2.gz PHGOGVMBGXOUES-UHFFFAOYSA-N 0 0 341.411 4.750 50 0 EJAARN Cc1ccc([C@@H]2C[C@H](c3ccc(C(C)C)cc3)Nc3ncnn32)cc1 ZINC000002500089 564149976 /nfs/dbraw/zinc/14/99/76/564149976.db2.gz VURWMRDUQVGSOW-UXHICEINSA-N 0 0 332.451 4.856 50 0 EJAARN Cn1c(S[C@H]2CCc3c2cccc3Cl)nnc1-c1ccco1 ZINC000161763522 564150049 /nfs/dbraw/zinc/15/00/49/564150049.db2.gz BRXBKKRGAYQFDT-AWEZNQCLSA-N 0 0 331.828 4.508 50 0 EJAARN O=C(NCc1cncc(-c2cccs2)c1)c1ccc(F)cc1Cl ZINC000225664117 564150174 /nfs/dbraw/zinc/15/01/74/564150174.db2.gz JOBZQQLOGWCBOF-UHFFFAOYSA-N 0 0 346.814 4.533 50 0 EJAARN Cc1cccc(C)c1NC(=S)NCc1cccc(C(F)(F)F)c1 ZINC000002532730 564150439 /nfs/dbraw/zinc/15/04/39/564150439.db2.gz LCPRRPVHQZZXLJ-UHFFFAOYSA-N 0 0 338.398 4.809 50 0 EJAARN O=C(Nc1c(-c2cccs2)nc2ccc(Cl)cn21)c1ccco1 ZINC000028225404 564150737 /nfs/dbraw/zinc/15/07/37/564150737.db2.gz CQQQHQYOPAZIEH-UHFFFAOYSA-N 0 0 343.795 4.562 50 0 EJAARN O=C(N[C@H]1Sc2ccccc2N=C1c1ccccc1)c1ccccc1 ZINC000028294058 564150924 /nfs/dbraw/zinc/15/09/24/564150924.db2.gz RSSZHFDUKPNHRG-NRFANRHFSA-N 0 0 344.439 4.669 50 0 EJAARN COc1ccc(Cl)cc1NC(=O)c1cc(Cl)ccc1Cl ZINC000002622528 564151254 /nfs/dbraw/zinc/15/12/54/564151254.db2.gz MWVAESIUMCOKMJ-UHFFFAOYSA-N 0 0 330.598 4.908 50 0 EJAARN Fc1ccccc1OCCSc1nnc(Nc2ccccc2)s1 ZINC000002627622 564151392 /nfs/dbraw/zinc/15/13/92/564151392.db2.gz LSVMSTAMPKILQA-UHFFFAOYSA-N 0 0 347.440 4.592 50 0 EJAARN Cc1cccc(OCCOC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1 ZINC000002630012 564151424 /nfs/dbraw/zinc/15/14/24/564151424.db2.gz RBNTYGCRCFJUQI-UHFFFAOYSA-N 0 0 349.430 4.591 50 0 EJAARN C[C@@H]1CCc2nc3ccccc3c(C(=O)Nc3ccccc3F)c2C1 ZINC000002632316 564151501 /nfs/dbraw/zinc/15/15/01/564151501.db2.gz DSNQZIDDOFBCMF-CYBMUJFWSA-N 0 0 334.394 4.751 50 0 EJAARN CCc1cccc(C)c1NC(=O)c1c2c(nc3ccccc31)CCC2 ZINC000002634582 564151541 /nfs/dbraw/zinc/15/15/41/564151541.db2.gz QPKAYBHWYJRJLH-UHFFFAOYSA-N 0 0 330.431 4.847 50 0 EJAARN CSc1ncccc1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000002648189 564151827 /nfs/dbraw/zinc/15/18/27/564151827.db2.gz FTNYFXZGRAVSTQ-UHFFFAOYSA-N 0 0 336.416 4.848 50 0 EJAARN Cc1[nH]c2ccccc2c1SCCNC(=O)c1cccc(Cl)c1 ZINC000002721078 564152229 /nfs/dbraw/zinc/15/22/29/564152229.db2.gz FKHZZNNESJXQLM-UHFFFAOYSA-N 0 0 344.867 4.652 50 0 EJAARN CC[C@@H](C)c1ccc([C@@H](CC)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1 ZINC000002733151 564152329 /nfs/dbraw/zinc/15/23/29/564152329.db2.gz WKKACERQTVEMHY-DQEVTTJGSA-N 0 0 327.468 4.826 50 0 EJAARN Fc1ccc(NC(=S)Nc2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000002735319 564152371 /nfs/dbraw/zinc/15/23/71/564152371.db2.gz PQJUIOGRFKPWQU-UHFFFAOYSA-N 0 0 346.761 4.889 50 0 EJAARN Cc1nn(-c2ccccc2)c2nc(C)cc(C(F)(F)C(F)(F)F)c12 ZINC000002733765 564152373 /nfs/dbraw/zinc/15/23/73/564152373.db2.gz GXKTZWVCMBYHLQ-UHFFFAOYSA-N 0 0 341.283 4.691 50 0 EJAARN Cc1nn(C)c2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)c12 ZINC000002741224 564152397 /nfs/dbraw/zinc/15/23/97/564152397.db2.gz FXKAIKFIEKLMCM-UHFFFAOYSA-N 0 0 325.721 4.616 50 0 EJAARN O=C(NC1CCCCC1)c1ccc(COc2ccccc2Cl)cc1 ZINC000002752520 564152469 /nfs/dbraw/zinc/15/24/69/564152469.db2.gz YSOOLBQPDSDFME-UHFFFAOYSA-N 0 0 343.854 4.982 50 0 EJAARN CCn1c(C)c(C)c2cc(C(=O)N3CCCc4ccccc43)ccc21 ZINC000002763790 564152512 /nfs/dbraw/zinc/15/25/12/564152512.db2.gz SKTZZLDXNQDWKY-UHFFFAOYSA-N 0 0 332.447 4.871 50 0 EJAARN Cc1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 ZINC000002783388 564152619 /nfs/dbraw/zinc/15/26/19/564152619.db2.gz JIZFPFIDCXNZOD-NWDGAFQWSA-N 0 0 349.278 4.626 50 0 EJAARN CCOc1ccc(NC(=O)Cn2c3ccccc3c3c2CCCC3)cc1 ZINC000002887310 564152918 /nfs/dbraw/zinc/15/29/18/564152918.db2.gz AJCOOEZLBOPHAA-UHFFFAOYSA-N 0 0 348.446 4.558 50 0 EJAARN CCCCc1cc(=O)oc2c(C)c(OC(=O)c3cccs3)ccc12 ZINC000002929727 564153108 /nfs/dbraw/zinc/15/31/08/564153108.db2.gz SMBGBAAUYCWZHO-UHFFFAOYSA-N 0 0 342.416 4.725 50 0 EJAARN O=C1OC(c2ccc(Cl)cc2)=N/C1=C\C(Cl)=C\c1ccccc1 ZINC000002929946 564153110 /nfs/dbraw/zinc/15/31/10/564153110.db2.gz HCNOKLCDLGFCIF-XCMCHEKJSA-N 0 0 344.197 4.807 50 0 EJAARN Cc1ccsc1/C=C1\N=C(/C=C/c2ccc(Cl)cc2)OC1=O ZINC000002942357 564153140 /nfs/dbraw/zinc/15/31/40/564153140.db2.gz IAGWUVHDRAWUJU-VQIYGXJCSA-N 0 0 329.808 4.720 50 0 EJAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)N[C@H](C)c1ccc(F)c(F)c1 ZINC000057293364 564153466 /nfs/dbraw/zinc/15/34/66/564153466.db2.gz BTVBIDFWUVAWBZ-YPMHNXCESA-N 0 0 342.389 4.677 50 0 EJAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000057293360 564153473 /nfs/dbraw/zinc/15/34/73/564153473.db2.gz BTVBIDFWUVAWBZ-AAEUAGOBSA-N 0 0 342.389 4.677 50 0 EJAARN Cc1cccc(NC(=O)[C@@H](c2ccc(Cl)cc2)N2CCCCC2)c1 ZINC000057317476 564153610 /nfs/dbraw/zinc/15/36/10/564153610.db2.gz XMAAGVPVJXZCQN-LJQANCHMSA-N 0 0 342.870 4.814 50 0 EJAARN C[C@@H]1CCCN(C(=O)/C(=C/c2ccc(F)cc2)c2cccs2)C1 ZINC000029509601 564153631 /nfs/dbraw/zinc/15/36/31/564153631.db2.gz JKNHLYVHKVILGP-RFRKOGIWSA-N 0 0 329.440 4.686 50 0 EJAARN Cc1ccc(CNC(=O)CCSCc2cccc(Cl)c2)cc1 ZINC000002953829 564153754 /nfs/dbraw/zinc/15/37/54/564153754.db2.gz ITDUVWWMEIVGRY-UHFFFAOYSA-N 0 0 333.884 4.588 50 0 EJAARN O=C(CCSCc1cccc(Cl)c1)NCCC1=CCCCC1 ZINC000002954087 564153775 /nfs/dbraw/zinc/15/37/75/564153775.db2.gz LGMQZBITAKAYTJ-UHFFFAOYSA-N 0 0 337.916 4.970 50 0 EJAARN CCCCC(=O)Nc1cc(-c2nc3cccnc3s2)ccc1C ZINC000002972294 564153908 /nfs/dbraw/zinc/15/39/08/564153908.db2.gz FMZZLUVHKAZAER-UHFFFAOYSA-N 0 0 325.437 4.795 50 0 EJAARN CCc1cccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)c1 ZINC000057412188 564154054 /nfs/dbraw/zinc/15/40/54/564154054.db2.gz JQUMURGFDGVNAE-UHFFFAOYSA-N 0 0 325.799 4.545 50 0 EJAARN Cc1cc(Cl)ccc1NC(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000057412357 564154088 /nfs/dbraw/zinc/15/40/88/564154088.db2.gz NHTSAOJMAUTUJE-UHFFFAOYSA-N 0 0 346.217 4.944 50 0 EJAARN CCN(C(=O)c1cc(-c2cccc(Cl)c2)[nH]n1)c1cccc(C)c1 ZINC000057412722 564154194 /nfs/dbraw/zinc/15/41/94/564154194.db2.gz GCLPHLFSSZGKLR-UHFFFAOYSA-N 0 0 339.826 4.705 50 0 EJAARN O=C1S/C(=C\c2ccccc2C(F)(F)F)C(=O)N1c1ccccc1 ZINC000002998872 564154300 /nfs/dbraw/zinc/15/43/00/564154300.db2.gz RHMWHZNTFCEKSK-UVTDQMKNSA-N 0 0 349.333 4.946 50 0 EJAARN Cc1nc(CSCCC(=O)Nc2ccccc2C(C)C)cs1 ZINC000029864679 564154452 /nfs/dbraw/zinc/15/44/52/564154452.db2.gz PJRNIBDYYOMGOX-UHFFFAOYSA-N 0 0 334.510 4.837 50 0 EJAARN Cc1cc(C)c(C(=O)CSc2nccn2-c2ccccc2)c(C)c1 ZINC000057486253 564154516 /nfs/dbraw/zinc/15/45/16/564154516.db2.gz PHEDXKNHLKKORG-UHFFFAOYSA-N 0 0 336.460 4.773 50 0 EJAARN COc1cccc(CN(C)[C@H](C)c2nc3ccccc3s2)c1OC ZINC000057503878 564154570 /nfs/dbraw/zinc/15/45/70/564154570.db2.gz GFAZUXIDOWYSCT-CYBMUJFWSA-N 0 0 342.464 4.507 50 0 EJAARN CCOc1ccccc1/C=C1\N=C(c2ccc(C(C)(C)C)cc2)OC1=O ZINC000003052846 564154766 /nfs/dbraw/zinc/15/47/66/564154766.db2.gz DLQGJVRWUIVUSB-JXAWBTAJSA-N 0 0 349.430 4.727 50 0 EJAARN Cc1ccc(C)c(NC(=O)c2ccccc2C(=O)c2ccccc2)c1 ZINC000003104145 564155146 /nfs/dbraw/zinc/15/51/46/564155146.db2.gz LHUISMGFUZBUHO-UHFFFAOYSA-N 0 0 329.399 4.787 50 0 EJAARN C(=C/c1ccccc1)\CSc1nc2nccc(-c3ccccc3)n2n1 ZINC000003110966 564155226 /nfs/dbraw/zinc/15/52/26/564155226.db2.gz HNMHPWAJDNILDQ-JXMROGBWSA-N 0 0 344.443 4.597 50 0 EJAARN CCc1ccccc1NC(=O)c1ccc(-n2cnc3ccccc32)cc1 ZINC000030033423 564155275 /nfs/dbraw/zinc/15/52/75/564155275.db2.gz SYIDHZGALRIHAN-UHFFFAOYSA-N 0 0 341.414 4.840 50 0 EJAARN O=C(Nc1nc(-c2ccccc2O)cs1)Nc1ccc(Cl)cc1 ZINC000003166648 564155575 /nfs/dbraw/zinc/15/55/75/564155575.db2.gz BGUBOPOMVZPWHT-UHFFFAOYSA-N 0 0 345.811 4.813 50 0 EJAARN Cc1ccc(S(=O)(=O)N2c3ccccc3Oc3ccccc32)cc1 ZINC000003191166 564155825 /nfs/dbraw/zinc/15/58/25/564155825.db2.gz DHZNMEIBMACSFH-UHFFFAOYSA-N 0 0 337.400 4.628 50 0 in-vitro EJAARN O=C(/C=C/c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000003195819 564155840 /nfs/dbraw/zinc/15/58/40/564155840.db2.gz PYKTZARZFNZUGD-WUKNDPDISA-N 0 0 327.427 4.929 50 0 EJAARN COc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)cc1 ZINC000003207615 564155981 /nfs/dbraw/zinc/15/59/81/564155981.db2.gz MGUNDHXIGVVXHP-ZDUSSCGKSA-N 0 0 344.480 4.555 50 0 EJAARN c1nc2n(n1)[C@@H](c1cccc3ccccc31)C[C@@H](c1ccccc1)N2 ZINC000003215842 564156066 /nfs/dbraw/zinc/15/60/66/564156066.db2.gz IWWVHBLLICZEHD-VQTJNVASSA-N 0 0 326.403 4.578 50 0 EJAARN C[C@@H](CCc1ccccc1)NC(=O)CSc1ccccc1Cl ZINC000003219333 564156123 /nfs/dbraw/zinc/15/61/23/564156123.db2.gz CUUAPVVRMMIXBN-AWEZNQCLSA-N 0 0 333.884 4.570 50 0 EJAARN O=C(C[C@@H](SCc1ccco1)c1ccc(O)cc1)c1ccco1 ZINC000003236180 564156405 /nfs/dbraw/zinc/15/64/05/564156405.db2.gz NTLRXWCBJRMBSY-GOSISDBHSA-N 0 0 328.389 4.826 50 0 EJAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)n1 ZINC000003236126 564156424 /nfs/dbraw/zinc/15/64/24/564156424.db2.gz BRIFIBRFSIWVAC-UHFFFAOYSA-N 0 0 341.414 4.895 50 0 EJAARN Cc1nc2ccc(Nc3ncnc4sc5c(c43)CCC5)cc2s1 ZINC000003250855 564156568 /nfs/dbraw/zinc/15/65/68/564156568.db2.gz CBASCMRBNOEVET-UHFFFAOYSA-N 0 0 338.461 4.842 50 0 EJAARN Clc1ccc(CSc2nnc(-c3cccnc3)o2)cc1Cl ZINC000003251581 564156578 /nfs/dbraw/zinc/15/65/78/564156578.db2.gz DRWZPHWIJSUFDS-UHFFFAOYSA-N 0 0 338.219 4.731 50 0 EJAARN O=C(CSc1ncnc2ccccc21)Nc1cccc2ccccc21 ZINC000003263576 564156776 /nfs/dbraw/zinc/15/67/76/564156776.db2.gz BZTUMMQCPYBTJL-UHFFFAOYSA-N 0 0 345.427 4.514 50 0 EJAARN O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1F ZINC000003268890 564156786 /nfs/dbraw/zinc/15/67/86/564156786.db2.gz QXODJKDIYOZQRE-HXUWFJFHSA-N 0 0 334.346 4.607 50 0 EJAARN CCOc1ccccc1OCC(=O)OC1CCC(C(C)(C)C)CC1 ZINC000003287562 564157000 /nfs/dbraw/zinc/15/70/00/564157000.db2.gz VGVUIOHRWFWQEJ-UHFFFAOYSA-N 0 0 334.456 4.612 50 0 EJAARN COc1ccc(C(C)(C)C)cc1NC(=O)Cc1c(F)cccc1Cl ZINC000003294122 564157119 /nfs/dbraw/zinc/15/71/19/564157119.db2.gz KBWROIGAGBIKQE-UHFFFAOYSA-N 0 0 349.833 4.966 50 0 EJAARN Cc1cc(F)ccc1NC(=O)c1ccc(C(=O)c2ccccc2)cc1 ZINC000003333481 564157390 /nfs/dbraw/zinc/15/73/90/564157390.db2.gz NYLVYBRGLNKXAQ-UHFFFAOYSA-N 0 0 333.362 4.617 50 0 EJAARN Cc1sc2[nH]c([C@@H](C)Sc3ccccc3F)nc(=O)c2c1C ZINC000003334910 564157429 /nfs/dbraw/zinc/15/74/29/564157429.db2.gz RGLITQLRERKDRO-SNVBAGLBSA-N 0 0 334.441 4.594 50 0 EJAARN Cn1c(SCc2cccc(F)c2)nnc1-c1ccc(Cl)cc1 ZINC000003353583 564157627 /nfs/dbraw/zinc/15/76/27/564157627.db2.gz QRSILLHJWXJAMK-UHFFFAOYSA-N 0 0 333.819 4.567 50 0 EJAARN COc1ccc(-c2csc3ncnc(Nc4ccc(O)cc4)c23)cc1 ZINC000003418714 564158022 /nfs/dbraw/zinc/15/80/22/564158022.db2.gz FRSIXLLWLHSZOD-UHFFFAOYSA-N 0 0 349.415 4.816 50 0 EJAARN O=C(CSc1ccc2c(c1)OCCO2)c1ccc2ccccc2c1 ZINC000003489396 564158414 /nfs/dbraw/zinc/15/84/14/564158414.db2.gz ZKWUXNUCYVRKHN-UHFFFAOYSA-N 0 0 336.412 4.586 50 0 EJAARN COc1ccc(Cl)cc1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000003549888 564158924 /nfs/dbraw/zinc/15/89/24/564158924.db2.gz NMLNFTYITLNHJQ-UHFFFAOYSA-N 0 0 329.705 4.620 50 0 EJAARN COc1ccc(C(=O)N[C@@H](C)C(c2ccccc2)c2ccccc2)cc1 ZINC000031383945 564159347 /nfs/dbraw/zinc/15/93/47/564159347.db2.gz HUDXVPYXCHGUNO-KRWDZBQOSA-N 0 0 345.442 4.646 50 0 EJAARN O=C(Nc1cccc(OCc2ccccn2)c1)c1ccccc1Cl ZINC000031456274 564159432 /nfs/dbraw/zinc/15/94/32/564159432.db2.gz AITZNOQFSGSBIK-UHFFFAOYSA-N 0 0 338.794 4.566 50 0 EJAARN Cc1nc2cc(F)ccc2cc1C(=O)N1CC[C@H](C)c2ccccc21 ZINC000031781629 564159823 /nfs/dbraw/zinc/15/98/23/564159823.db2.gz AJZOCKJFRKOMEO-ZDUSSCGKSA-N 0 0 334.394 4.836 50 0 EJAARN Cc1sc(-c2ccco2)nc1C(=O)N1CC[C@H](C)c2ccccc21 ZINC000031781025 564159843 /nfs/dbraw/zinc/15/98/43/564159843.db2.gz AUWGHGBGTOMIKD-LBPRGKRZSA-N 0 0 338.432 4.866 50 0 EJAARN CCCCNC(=O)OC[C@@]12CO[C@H](CCC)[C@@H](C(C)=C[C@@H]1C)[C@H]2C ZINC000004025456 564160112 /nfs/dbraw/zinc/16/01/12/564160112.db2.gz FGCOUMUUNRBVMZ-JAYZULETSA-N 0 0 337.504 4.546 50 0 biogenic EJAARN O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1cccc(Cl)c1 ZINC000004070830 564160323 /nfs/dbraw/zinc/16/03/23/564160323.db2.gz PGMAUMYWSDMWJI-UHFFFAOYSA-N 0 0 340.835 4.814 50 0 EJAARN CC(=O)O[C@@]1(C)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004074040 564160367 /nfs/dbraw/zinc/16/03/67/564160367.db2.gz YKEIELWRIARSQU-MHZHAZPJSA-N 0 0 346.511 4.920 50 0 biogenic EJAARN CC(C)(C)c1ccc(C(=O)Nc2cccc(Oc3cnccn3)c2)cc1 ZINC000004108374 564160595 /nfs/dbraw/zinc/16/05/95/564160595.db2.gz WKQHAKWSRBPSAJ-UHFFFAOYSA-N 0 0 347.418 4.819 50 0 EJAARN CC(=O)c1ccc(NC(=O)c2cc(-n3cccc3)ccc2Cl)cc1 ZINC000032094696 564160709 /nfs/dbraw/zinc/16/07/09/564160709.db2.gz NPEQKFRBMHDERC-UHFFFAOYSA-N 0 0 338.794 4.586 50 0 EJAARN Cc1cccc(-c2nc(CC(=O)Nc3ccc4[nH]ccc4c3)cs2)c1 ZINC000032095700 564160721 /nfs/dbraw/zinc/16/07/21/564160721.db2.gz UVGVHHWPMHCHOS-UHFFFAOYSA-N 0 0 347.443 4.781 50 0 EJAARN CCOC(=O)c1sc(Nc2nc3c(cccc3OC)s2)cc1C ZINC000004137639 564160880 /nfs/dbraw/zinc/16/08/80/564160880.db2.gz VWPXFTDGVDDMAU-UHFFFAOYSA-N 0 0 348.449 4.595 50 0 EJAARN Clc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2)cc1 ZINC000059378200 564161184 /nfs/dbraw/zinc/16/11/84/564161184.db2.gz WXZZZWQTTHOGFE-HNNXBMFYSA-N 0 0 335.632 4.541 50 0 EJAARN Fc1ccc(Sc2nc(-c3cccnc3)nc3ccccc32)cc1 ZINC000007982620 564161735 /nfs/dbraw/zinc/16/17/35/564161735.db2.gz IWRMLZMJQHXHLH-UHFFFAOYSA-N 0 0 333.391 4.982 50 0 EJAARN CN(Cc1ccc(Cl)s1)C(=O)Cc1cccc2ccccc21 ZINC000007981612 564161759 /nfs/dbraw/zinc/16/17/59/564161759.db2.gz NMDNQEXXYVUFSM-UHFFFAOYSA-N 0 0 329.852 4.756 50 0 EJAARN Cc1cccn2c(NC(=O)[C@H]3CC=CCC3)c(-c3ccccc3)nc12 ZINC000007987812 564161906 /nfs/dbraw/zinc/16/19/06/564161906.db2.gz YUNGRSTVLLAWFV-KRWDZBQOSA-N 0 0 331.419 4.605 50 0 EJAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1c(F)cccc1F ZINC000007988952 564161934 /nfs/dbraw/zinc/16/19/34/564161934.db2.gz SGRIFHZZROTHOX-UHFFFAOYSA-N 0 0 335.659 4.889 50 0 EJAARN O=C(Nc1ccccc1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000007990757 564161990 /nfs/dbraw/zinc/16/19/90/564161990.db2.gz BUINAGFYUDODKM-QGZVFWFLSA-N 0 0 326.396 4.798 50 0 EJAARN O=C(Nc1nccs1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000008007643 564162098 /nfs/dbraw/zinc/16/20/98/564162098.db2.gz UUITVTSNHYZFNM-UHFFFAOYSA-N 0 0 347.399 4.717 50 0 EJAARN Cc1ccc(-c2ccsc2C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000008060234 564162421 /nfs/dbraw/zinc/16/24/21/564162421.db2.gz NICJRYUBQRIUQF-UHFFFAOYSA-N 0 0 337.400 4.705 50 0 EJAARN C[C@@H](NC(=O)c1ccccc1Br)c1cc2ccccc2o1 ZINC000008062414 564162441 /nfs/dbraw/zinc/16/24/41/564162441.db2.gz UPLLMYGMFLVRTN-LLVKDONJSA-N 0 0 344.208 4.686 50 0 EJAARN C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)c1cc2ccccc2o1 ZINC000008062423 564162442 /nfs/dbraw/zinc/16/24/42/564162442.db2.gz JWBDSUZMPKKDQY-NSHDSACASA-N 0 0 333.309 4.943 50 0 EJAARN C[C@H](NC(=O)Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1F ZINC000008101799 564162692 /nfs/dbraw/zinc/16/26/92/564162692.db2.gz POMGTADWCBHXQF-VIFPVBQESA-N 0 0 344.188 4.692 50 0 EJAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000008122676 564162853 /nfs/dbraw/zinc/16/28/53/564162853.db2.gz AVAMOQQFHRQUKJ-UHFFFAOYSA-N 0 0 347.802 4.558 50 0 EJAARN Cc1cccc(C)c1NC(=O)CN(C)Cc1ccc2ccccc2c1 ZINC000008127354 564162868 /nfs/dbraw/zinc/16/28/68/564162868.db2.gz JEJTZVNFGWHIMJ-UHFFFAOYSA-N 0 0 332.447 4.527 50 0 EJAARN COc1cc(SC)ccc1C(=O)Nc1c(C)cc(C)cc1Cl ZINC000008131116 564163011 /nfs/dbraw/zinc/16/30/11/564163011.db2.gz RZTNHQHDEUCPBR-UHFFFAOYSA-N 0 0 335.856 4.940 50 0 EJAARN COc1cccc(CNc2ncnc3scc(-c4ccccc4)c32)c1 ZINC000008131102 564163000 /nfs/dbraw/zinc/16/30/00/564163000.db2.gz XTRPVVPVXACJSL-UHFFFAOYSA-N 0 0 347.443 4.979 50 0 EJAARN Cc1ccc(C)c(OCC(=O)N[C@H](C)c2ccc3ccccc3c2)c1 ZINC000008185131 564163410 /nfs/dbraw/zinc/16/34/10/564163410.db2.gz OOZYGCZKKITIJK-QGZVFWFLSA-N 0 0 333.431 4.713 50 0 EJAARN c1ccc2c(c1)nc(-c1cccnc1)nc2N1CCC[C@H]2CCCC[C@@H]21 ZINC000008190961 564163428 /nfs/dbraw/zinc/16/34/28/564163428.db2.gz FNNQLCWQVSOICN-UZLBHIALSA-N 0 0 344.462 4.851 50 0 EJAARN C[C@H](NCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1 ZINC000008199510 564163530 /nfs/dbraw/zinc/16/35/30/564163530.db2.gz ZEPGDZYZTQYQKC-NSHDSACASA-N 0 0 348.233 4.894 50 0 EJAARN O=C(Nc1ccc(Sc2nc3ccccc3[nH]2)cc1)C1CCCC1 ZINC000008216844 564163646 /nfs/dbraw/zinc/16/36/46/564163646.db2.gz UGBCCYHBNNTNEX-UHFFFAOYSA-N 0 0 337.448 4.843 50 0 EJAARN CCc1ccc(Cl)c(CC)c1NC(=O)c1cccnc1SC ZINC000008230069 564163692 /nfs/dbraw/zinc/16/36/92/564163692.db2.gz LMHVDWQWNNFZMQ-UHFFFAOYSA-N 0 0 334.872 4.834 50 0 EJAARN C[C@@H](Sc1nnc(-c2ccccc2)o1)C(=O)c1c[nH]c2ccccc21 ZINC000008234123 564163774 /nfs/dbraw/zinc/16/37/74/564163774.db2.gz DOVOCBDIOVTTDG-GFCCVEGCSA-N 0 0 349.415 4.581 50 0 EJAARN C[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)c1c[nH]c2ccccc21 ZINC000008234122 564163780 /nfs/dbraw/zinc/16/37/80/564163780.db2.gz DOVOCBDIOVTTDG-LBPRGKRZSA-N 0 0 349.415 4.581 50 0 EJAARN CCc1sc(C(=O)N(C)Cc2nc3ccccc3s2)cc1C ZINC000008265260 564163883 /nfs/dbraw/zinc/16/38/83/564163883.db2.gz RWGJUGQTHRYGFI-UHFFFAOYSA-N 0 0 330.478 4.501 50 0 EJAARN CCc1ccccc1NC(=O)Cc1csc(-c2cccs2)n1 ZINC000008315940 564164246 /nfs/dbraw/zinc/16/42/46/564164246.db2.gz ITFBEOPCDKRVDJ-UHFFFAOYSA-N 0 0 328.462 4.615 50 0 EJAARN C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000263571876 564164345 /nfs/dbraw/zinc/16/43/45/564164345.db2.gz KAPAFTKZXYALRS-KBPBESRZSA-N 0 0 331.843 4.662 50 0 EJAARN COc1cc(C)c(NC(=O)c2cc3c(s2)CCCCC3)cc1OC ZINC000008393316 564165037 /nfs/dbraw/zinc/16/50/37/564165037.db2.gz ICVPGWHAJGUOJM-UHFFFAOYSA-N 0 0 345.464 4.595 50 0 EJAARN Cc1cc2nnc(SCc3nc4ccccc4o3)n2c2ccccc12 ZINC000008457992 564165332 /nfs/dbraw/zinc/16/53/32/564165332.db2.gz MFJJQHNJTOFROD-UHFFFAOYSA-N 0 0 346.415 4.624 50 0 EJAARN Cc1sc2[nH]c(CSc3ccc(Cl)cc3)nc(=O)c2c1C ZINC000008457946 564165356 /nfs/dbraw/zinc/16/53/56/564165356.db2.gz GQUHFHPCDLAAAC-UHFFFAOYSA-N 0 0 336.869 4.547 50 0 EJAARN S=C(Nc1ccccc1)Nc1cccc(CCc2ccccn2)c1 ZINC000008555486 564165671 /nfs/dbraw/zinc/16/56/71/564165671.db2.gz VZNRTIOQRLIIDY-UHFFFAOYSA-N 0 0 333.460 4.676 50 0 EJAARN O=C(Nc1nc2cc(Cl)ccc2s1)c1cc2ccccc2o1 ZINC000008560652 564165693 /nfs/dbraw/zinc/16/56/93/564165693.db2.gz NGDXWTWUMKQEQU-UHFFFAOYSA-N 0 0 328.780 4.948 50 0 EJAARN Cc1ccc(Cl)cc1N(C)C(=O)c1cc2ccc3cccnc3c2[nH]1 ZINC000008597085 564165952 /nfs/dbraw/zinc/16/59/52/564165952.db2.gz CUJLZIHMUUUUFU-UHFFFAOYSA-N 0 0 349.821 4.955 50 0 EJAARN CC[C@H](O)c1nc2ccccc2n1CCCOc1ccc(Cl)cc1 ZINC000008710295 564166606 /nfs/dbraw/zinc/16/66/06/564166606.db2.gz UCVZFDNYNKJDMD-SFHVURJKSA-N 0 0 344.842 4.602 50 0 EJAARN O=C(CCc1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1ccco1 ZINC000008734927 564167105 /nfs/dbraw/zinc/16/71/05/564167105.db2.gz UWVKKZSIVKUROQ-FQEVSTJZSA-N 0 0 344.414 4.590 50 0 EJAARN Cc1ccccc1NCCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000008780273 564167412 /nfs/dbraw/zinc/16/74/12/564167412.db2.gz ZMWUQLHYRSFQQQ-UHFFFAOYSA-N 0 0 344.458 4.703 50 0 EJAARN Cc1nc(C)c(C(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)o1 ZINC000172736554 564167712 /nfs/dbraw/zinc/16/77/12/564167712.db2.gz QPZNCSHATZUWCW-CYBMUJFWSA-N 0 0 335.407 4.717 50 0 EJAARN CCCN1C(=O)c2ccccc2[C@@]1(Nc1ccccc1)c1ccccc1 ZINC000039932520 564167715 /nfs/dbraw/zinc/16/77/15/564167715.db2.gz RMCUPXFGTMDJOY-HSZRJFAPSA-N 0 0 342.442 4.866 50 0 EJAARN O=C(c1csc(-c2cccs2)n1)N1CCC[C@H]1c1ccsc1 ZINC000040107736 564168081 /nfs/dbraw/zinc/16/80/81/564168081.db2.gz UQKGLBCJFZDEKL-ZDUSSCGKSA-N 0 0 346.502 4.910 50 0 EJAARN CC(C)c1cc(C(=O)Nc2ccc3ccccc3n2)nn1C(C)(C)C ZINC000040141400 564168345 /nfs/dbraw/zinc/16/83/45/564168345.db2.gz LSQNAWKCANBYLH-UHFFFAOYSA-N 0 0 336.439 4.562 50 0 EJAARN CC1=C(C)[C@@H](Nc2ccccc2)N([C@@H](C)CCc2ccccc2)C1=O ZINC000008986004 564168465 /nfs/dbraw/zinc/16/84/65/564168465.db2.gz JLGJJBBOKQARCR-KKSFZXQISA-N 0 0 334.463 4.625 50 0 EJAARN CCOc1ccccc1NC(=O)CO[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000245236970 564168809 /nfs/dbraw/zinc/16/88/09/564168809.db2.gz AECQSHHHODSJDE-TXPKVOOTSA-N 0 0 333.472 4.501 50 0 EJAARN CCC1=Nc2ccccc2N=C(NC(=O)C2CC2)[C@H]1c1ccc(F)cc1 ZINC000009095233 564168833 /nfs/dbraw/zinc/16/88/33/564168833.db2.gz NSJUTFGFOHNRGV-IBGZPJMESA-N 0 0 349.409 4.662 50 0 EJAARN C[C@@H]1CCC[C@H](NC(=O)c2cc3c(s2)-c2ccccc2OC3)[C@H]1C ZINC000245309091 564169056 /nfs/dbraw/zinc/16/90/56/564169056.db2.gz ASPBTQIBFYDPAN-WWGRRREGSA-N 0 0 341.476 4.862 50 0 EJAARN C[C@H](N[C@@H](C)c1cccc(Cl)c1)c1nnc(-c2ccccc2)o1 ZINC000069417414 564169294 /nfs/dbraw/zinc/16/92/94/564169294.db2.gz ADFGUOZZJNYOHB-STQMWFEESA-N 0 0 327.815 4.802 50 0 EJAARN CC[C@@H](C)NC(=O)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1 ZINC000040451202 564169430 /nfs/dbraw/zinc/16/94/30/564169430.db2.gz UWEUXHWHKWNNMR-GFCCVEGCSA-N 0 0 342.826 4.600 50 0 EJAARN CCOCc1ccccc1NC(=O)N(Cc1ccc(C)o1)C(C)C ZINC000069565041 564170511 /nfs/dbraw/zinc/17/05/11/564170511.db2.gz VNCWRNWUNSXTDE-UHFFFAOYSA-N 0 0 330.428 4.567 50 0 EJAARN CC(C)c1csc(C2CCN(C(=O)CCc3ccsc3)CC2)n1 ZINC000069737071 564171797 /nfs/dbraw/zinc/17/17/97/564171797.db2.gz IFJDOAXTIDPLFP-UHFFFAOYSA-N 0 0 348.537 4.667 50 0 EJAARN Cc1ccc2cc3c(NC(=O)CC(C)C)nn(CC(C)C)c3nc2c1 ZINC000009327879 564172652 /nfs/dbraw/zinc/17/26/52/564172652.db2.gz ZIDBWNREMPNDBF-UHFFFAOYSA-N 0 0 338.455 4.534 50 0 EJAARN CCCCn1nc(NC(=O)c2ccco2)c2cc3ccc(C)cc3nc21 ZINC000009361137 564172901 /nfs/dbraw/zinc/17/29/01/564172901.db2.gz AEBTTXUHSIJFIX-UHFFFAOYSA-N 0 0 348.406 4.538 50 0 EJAARN Cc1ccc(CNc2nc3ccccc3c(N3CCCCC3)n2)cc1 ZINC000041148758 564173508 /nfs/dbraw/zinc/17/35/08/564173508.db2.gz RMOOESKIMMQJHQ-UHFFFAOYSA-N 0 0 332.451 4.541 50 0 EJAARN C[C@@H](Nc1ccccc1)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000009468864 564173816 /nfs/dbraw/zinc/17/38/16/564173816.db2.gz VZXMYHVQMBNJPV-CYBMUJFWSA-N 0 0 347.443 4.825 50 0 EJAARN CCCCc1cc(=O)oc2c(C)c3c(cc12)C(=O)CC1(CCCC1)O3 ZINC000009476973 564173825 /nfs/dbraw/zinc/17/38/25/564173825.db2.gz YEDLKYUVVXNMNO-UHFFFAOYSA-N 0 0 340.419 4.722 50 0 EJAARN O=c1[nH]c2c(-c3ccccc3Cl)sc(=S)n2c2ccccc12 ZINC000015828623 564173960 /nfs/dbraw/zinc/17/39/60/564173960.db2.gz BTCQMKAHJKYLGR-UHFFFAOYSA-N 0 0 344.848 4.892 50 0 EJAARN CCOc1ccc2oc(C(=O)N3CCC[C@H]4CCCC[C@@H]43)c(C)c2c1 ZINC000009536007 564174102 /nfs/dbraw/zinc/17/41/02/564174102.db2.gz ZWRWLGWDGKOTEK-QAPCUYQASA-N 0 0 341.451 4.935 50 0 EJAARN CC(C)(C)c1nc(CSc2n[nH]c(-c3ccccc3F)n2)cs1 ZINC000041703079 564174311 /nfs/dbraw/zinc/17/43/11/564174311.db2.gz UETWXPQQUCIMBA-UHFFFAOYSA-N 0 0 348.472 4.657 50 0 EJAARN Cc1ccc(NC(=O)NCc2cccn2Cc2cc(C)ccc2C)cc1 ZINC000009722737 564174493 /nfs/dbraw/zinc/17/44/93/564174493.db2.gz PLGWBAASTZINFC-UHFFFAOYSA-N 0 0 347.462 4.783 50 0 EJAARN Fc1ccc(-c2cc3ncnc(NCc4cccnc4)c3s2)cc1 ZINC000009717116 564174495 /nfs/dbraw/zinc/17/44/95/564174495.db2.gz AXBPGJRLOMTXHC-UHFFFAOYSA-N 0 0 336.395 4.505 50 0 EJAARN Cc1cccc(CS[C@@H](C)C(=O)NCc2ccccc2Cl)c1 ZINC000009913142 564174820 /nfs/dbraw/zinc/17/48/20/564174820.db2.gz YYIDVYZTBVEUNM-AWEZNQCLSA-N 0 0 333.884 4.587 50 0 EJAARN C[C@H](NC(=O)Nc1nc2ccccc2s1)c1ccc(Cl)cc1 ZINC000009958939 564174950 /nfs/dbraw/zinc/17/49/50/564174950.db2.gz CREHGGJGBMUDAJ-JTQLQIEISA-N 0 0 331.828 4.832 50 0 EJAARN O=C(NCC1(c2ccccc2)CCC1)c1cccc(Cl)c1Cl ZINC000010221322 564175164 /nfs/dbraw/zinc/17/51/64/564175164.db2.gz FVTRTGVRMDABLY-UHFFFAOYSA-N 0 0 334.246 4.845 50 0 EJAARN O=C(NCc1cc2ccccc2o1)Nc1ccc(N2CCCCC2)cc1 ZINC000071806539 564175582 /nfs/dbraw/zinc/17/55/82/564175582.db2.gz RVMYPCOSFJRNJB-UHFFFAOYSA-N 0 0 349.434 4.745 50 0 EJAARN CCn1c2ccccc2c2cc(NC(=O)CC[C@H]3CCCO3)ccc21 ZINC000071878312 564176318 /nfs/dbraw/zinc/17/63/18/564176318.db2.gz KEXGZNPMDYBKLM-MRXNPFEDSA-N 0 0 336.435 4.712 50 0 EJAARN CCO[C@H](C)c1nc(CN[C@H](c2ccc(F)cc2)C(C)C)cs1 ZINC000076717151 564176513 /nfs/dbraw/zinc/17/65/13/564176513.db2.gz KSNFAIRXIJOLSV-DYVFJYSZSA-N 0 0 336.476 4.867 50 0 EJAARN Cc1ccc(-c2nnc(SCc3ccccc3)n2C)c(Cl)c1 ZINC000030954746 564177442 /nfs/dbraw/zinc/17/74/42/564177442.db2.gz ANVVBQUJPNZGNE-UHFFFAOYSA-N 0 0 329.856 4.736 50 0 EJAARN CC(C)c1cccc(OCc2noc(-c3c(F)cccc3F)n2)c1 ZINC000034907098 564177534 /nfs/dbraw/zinc/17/75/34/564177534.db2.gz LUCLMMYAAJYKKW-UHFFFAOYSA-N 0 0 330.334 4.717 50 0 EJAARN CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C ZINC000257355725 568419191 /nfs/dbraw/zinc/41/91/91/568419191.db2.gz CGMZETDGTMDEAD-ABRYLDAPSA-N 0 0 332.528 4.841 50 0 EJAARN S=C(NCCc1ccc(Cl)c(Cl)c1)Nc1ccccc1 ZINC000013577074 568421603 /nfs/dbraw/zinc/42/16/03/568421603.db2.gz PLXYDXRDEHKXPQ-UHFFFAOYSA-N 0 0 325.264 4.523 50 0 EJAARN